USER MOD reduce.3.24.130724 H: found=0, std=0, add=802, rem=0, adj=27 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 47 HIS : no HD1:sc= -0.0331 X(o=-0.86,f=-0.87) USER MOD Set 1.2: A 69 MET CE :methyl -112:sc= -0.827 (180deg=-0.836) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ -167:sc= -0.0231 (180deg=-0.175) USER MOD Single : A 12 THR OG1 : rot 70:sc= 1.15 USER MOD Single : A 16 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00649) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 21 ASN : amide:sc= 0 K(o=0,f=0.6) USER MOD Single : A 23 ASN : amide:sc= 0.195 X(o=0.19,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -170:sc= 0.217 (180deg=0.18) USER MOD Single : A 31 LYS NZ :NH3+ 177:sc= 0.649 (180deg=0.642) USER MOD Single : A 32 ASN : amide:sc= -0.0509 X(o=-0.051,f=-0.005) USER MOD Single : A 36 MET CE :methyl 169:sc= -0.461 (180deg=-0.851) USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= -0.374 K(o=-0.37,f=-5.7!) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 163:sc= 0.475 USER MOD Single : A 48 THR OG1 : rot 68:sc= 0.125 USER MOD Single : A 49 MET CE :methyl 175:sc= -0.209 (180deg=-0.226) USER MOD Single : A 50 LYS NZ :NH3+ 179:sc= 0.307 (180deg=0.305) USER MOD Single : A 53 THR OG1 : rot -80:sc= -2.6! USER MOD Single : A 55 THR OG1 : rot -6:sc= 1.03 USER MOD Single : A 56 MET CE :methyl 159:sc= 0 (180deg=-0.307) 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+ -170:sc= -0.0287 (180deg=-0.162) USER MOD Single : A 66 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 67 THR OG1 : rot -59:sc= 1.27 USER MOD Single : A 70 ASN : amide:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -155:sc= -0.132 (180deg=-1.02) USER MOD Single : A 77 ASN : amide:sc= -1.3 K(o=-1.3,f=-6!) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 147:sc= 0.769 (180deg=0.0497) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 93 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0603) USER MOD Single : A 96 MET CE :methyl 141:sc= -0.418 (180deg=-0.774) USER MOD Single : A 98 THR OG1 : rot 70:sc= -1.6 USER MOD ----------------------------------------------------------------- ATOM 109 N ILE A 8 -10.043 -1.107 16.469 1.00 74.13 N ATOM 110 CA ILE A 8 -8.636 -1.373 16.078 1.00 42.11 C ATOM 111 C ILE A 8 -8.489 -2.788 15.451 1.00 52.33 C ATOM 112 O ILE A 8 -7.758 -2.971 14.472 1.00 21.54 O ATOM 113 CB ILE A 8 -7.680 -1.214 17.327 1.00 62.00 C ATOM 114 CG1 ILE A 8 -7.789 0.232 17.923 1.00 21.51 C ATOM 115 CG2 ILE A 8 -6.210 -1.570 16.988 1.00 2.50 C ATOM 116 CD1 ILE A 8 -6.982 0.467 19.196 1.00 51.13 C ATOM 0 HA ILE A 8 -8.347 -0.641 15.323 1.00 42.11 H new ATOM 0 HB ILE A 8 -8.010 -1.926 18.083 1.00 62.00 H new ATOM 0 HG12 ILE A 8 -7.463 0.946 17.167 1.00 21.51 H new ATOM 0 HG13 ILE A 8 -8.838 0.445 18.131 1.00 21.51 H new ATOM 0 HG21 ILE A 8 -5.591 -1.446 17.877 1.00 2.50 H new ATOM 0 HG22 ILE A 8 -6.155 -2.605 16.649 1.00 2.50 H new ATOM 0 HG23 ILE A 8 -5.849 -0.910 16.199 1.00 2.50 H new ATOM 0 HD11 ILE A 8 -7.122 1.495 19.531 1.00 51.13 H new ATOM 0 HD12 ILE A 8 -7.322 -0.217 19.974 1.00 51.13 H new ATOM 0 HD13 ILE A 8 -5.925 0.292 18.994 1.00 51.13 H new ATOM 128 N LYS A 9 -9.223 -3.763 16.016 1.00 1.44 N ATOM 129 CA LYS A 9 -9.257 -5.157 15.519 1.00 44.12 C ATOM 130 C LYS A 9 -9.873 -5.242 14.095 1.00 0.40 C ATOM 131 O LYS A 9 -9.363 -5.963 13.227 1.00 64.42 O ATOM 132 CB LYS A 9 -10.085 -6.036 16.485 1.00 52.14 C ATOM 133 CG LYS A 9 -9.571 -6.079 17.933 1.00 21.43 C ATOM 134 CD LYS A 9 -10.534 -6.856 18.856 1.00 73.31 C ATOM 135 CE LYS A 9 -10.187 -6.704 20.337 1.00 55.43 C ATOM 136 NZ LYS A 9 -11.173 -7.394 21.206 1.00 55.13 N ATOM 0 H LYS A 9 -9.813 -3.609 16.834 1.00 1.44 H new ATOM 0 HA LYS A 9 -8.229 -5.517 15.469 1.00 44.12 H new ATOM 0 HB2 LYS A 9 -11.112 -5.672 16.492 1.00 52.14 H new ATOM 0 HB3 LYS A 9 -10.110 -7.053 16.095 1.00 52.14 H new ATOM 0 HG2 LYS A 9 -8.587 -6.547 17.956 1.00 21.43 H new ATOM 0 HG3 LYS A 9 -9.449 -5.062 18.307 1.00 21.43 H new ATOM 0 HD2 LYS A 9 -11.552 -6.506 18.688 1.00 73.31 H new ATOM 0 HD3 LYS A 9 -10.512 -7.913 18.589 1.00 73.31 H new ATOM 0 HE2 LYS A 9 -9.193 -7.110 20.521 1.00 55.43 H new ATOM 0 HE3 LYS A 9 -10.152 -5.646 20.596 1.00 55.43 H new ATOM 0 HZ1 LYS A 9 -10.905 -7.269 22.203 1.00 55.13 H new ATOM 0 HZ2 LYS A 9 -12.118 -6.989 21.048 1.00 55.13 H new ATOM 0 HZ3 LYS A 9 -11.188 -8.408 20.976 1.00 55.13 H new ATOM 150 N LYS A 10 -10.980 -4.500 13.883 1.00 53.53 N ATOM 151 CA LYS A 10 -11.689 -4.447 12.581 1.00 52.45 C ATOM 152 C LYS A 10 -10.825 -3.784 11.487 1.00 5.34 C ATOM 153 O LYS A 10 -10.621 -4.369 10.421 1.00 60.31 O ATOM 154 CB LYS A 10 -13.068 -3.717 12.722 1.00 41.04 C ATOM 155 CG LYS A 10 -14.273 -4.634 13.068 1.00 53.23 C ATOM 156 CD LYS A 10 -14.075 -5.478 14.352 1.00 23.10 C ATOM 157 CE LYS A 10 -15.327 -6.289 14.730 1.00 2.24 C ATOM 158 NZ LYS A 10 -16.488 -5.409 15.019 1.00 52.14 N ATOM 0 H LYS A 10 -11.409 -3.921 14.605 1.00 53.53 H new ATOM 0 HA LYS A 10 -11.877 -5.475 12.271 1.00 52.45 H new ATOM 0 HB2 LYS A 10 -12.979 -2.954 13.496 1.00 41.04 H new ATOM 0 HB3 LYS A 10 -13.283 -3.199 11.787 1.00 41.04 H new ATOM 0 HG2 LYS A 10 -15.164 -4.017 13.185 1.00 53.23 H new ATOM 0 HG3 LYS A 10 -14.458 -5.305 12.229 1.00 53.23 H new ATOM 0 HD2 LYS A 10 -13.236 -6.159 14.208 1.00 23.10 H new ATOM 0 HD3 LYS A 10 -13.812 -4.818 15.178 1.00 23.10 H new ATOM 0 HE2 LYS A 10 -15.580 -6.968 13.916 1.00 2.24 H new ATOM 0 HE3 LYS A 10 -15.111 -6.905 15.603 1.00 2.24 H new ATOM 0 HZ1 LYS A 10 -17.239 -5.964 15.477 1.00 52.14 H new ATOM 0 HZ2 LYS A 10 -16.191 -4.639 15.652 1.00 52.14 H new ATOM 0 HZ3 LYS A 10 -16.848 -5.007 14.130 1.00 52.14 H new ATOM 172 N VAL A 11 -10.286 -2.580 11.780 1.00 63.43 N ATOM 173 CA VAL A 11 -9.472 -1.796 10.818 1.00 72.41 C ATOM 174 C VAL A 11 -8.138 -2.522 10.464 1.00 3.11 C ATOM 175 O VAL A 11 -7.536 -2.243 9.427 1.00 43.21 O ATOM 176 CB VAL A 11 -9.219 -0.319 11.324 1.00 63.42 C ATOM 177 CG1 VAL A 11 -8.255 -0.276 12.529 1.00 25.20 C ATOM 178 CG2 VAL A 11 -8.737 0.612 10.177 1.00 71.10 C ATOM 0 H VAL A 11 -10.401 -2.124 12.685 1.00 63.43 H new ATOM 0 HA VAL A 11 -10.052 -1.722 9.898 1.00 72.41 H new ATOM 0 HB VAL A 11 -10.180 0.062 11.668 1.00 63.42 H new ATOM 0 HG11 VAL A 11 -8.110 0.758 12.843 1.00 25.20 H new ATOM 0 HG12 VAL A 11 -8.678 -0.850 13.354 1.00 25.20 H new ATOM 0 HG13 VAL A 11 -7.295 -0.706 12.243 1.00 25.20 H new ATOM 0 HG21 VAL A 11 -8.575 1.617 10.568 1.00 71.10 H new ATOM 0 HG22 VAL A 11 -7.804 0.228 9.765 1.00 71.10 H new ATOM 0 HG23 VAL A 11 -9.494 0.645 9.393 1.00 71.10 H new ATOM 188 N THR A 12 -7.695 -3.458 11.339 1.00 24.10 N ATOM 189 CA THR A 12 -6.574 -4.388 11.037 1.00 44.34 C ATOM 190 C THR A 12 -6.890 -5.256 9.798 1.00 10.40 C ATOM 191 O THR A 12 -6.105 -5.313 8.854 1.00 53.42 O ATOM 192 CB THR A 12 -6.289 -5.345 12.253 1.00 12.14 C ATOM 193 OG1 THR A 12 -5.789 -4.601 13.366 1.00 4.40 O ATOM 194 CG2 THR A 12 -5.307 -6.496 11.918 1.00 33.41 C ATOM 0 H THR A 12 -8.099 -3.591 12.266 1.00 24.10 H new ATOM 0 HA THR A 12 -5.696 -3.773 10.840 1.00 44.34 H new ATOM 0 HB THR A 12 -7.245 -5.805 12.503 1.00 12.14 H new ATOM 0 HG1 THR A 12 -6.503 -4.038 13.731 1.00 4.40 H new ATOM 0 HG21 THR A 12 -5.157 -7.115 12.802 1.00 33.41 H new ATOM 0 HG22 THR A 12 -5.721 -7.105 11.114 1.00 33.41 H new ATOM 0 HG23 THR A 12 -4.351 -6.078 11.601 1.00 33.41 H new ATOM 202 N ASP A 13 -8.049 -5.930 9.826 1.00 40.31 N ATOM 203 CA ASP A 13 -8.487 -6.828 8.737 1.00 41.24 C ATOM 204 C ASP A 13 -9.018 -6.048 7.514 1.00 73.14 C ATOM 205 O ASP A 13 -8.951 -6.546 6.400 1.00 52.52 O ATOM 206 CB ASP A 13 -9.513 -7.853 9.257 1.00 40.21 C ATOM 207 CG ASP A 13 -8.900 -8.775 10.326 1.00 40.42 C ATOM 208 OD1 ASP A 13 -8.081 -9.653 9.967 1.00 21.35 O ATOM 209 OD2 ASP A 13 -9.197 -8.603 11.525 1.00 13.32 O ATOM 0 H ASP A 13 -8.711 -5.871 10.600 1.00 40.31 H new ATOM 0 HA ASP A 13 -7.612 -7.377 8.390 1.00 41.24 H new ATOM 0 HB2 ASP A 13 -10.371 -7.329 9.677 1.00 40.21 H new ATOM 0 HB3 ASP A 13 -9.882 -8.454 8.426 1.00 40.21 H new ATOM 214 N GLU A 14 -9.574 -4.841 7.734 1.00 53.55 N ATOM 215 CA GLU A 14 -9.935 -3.905 6.637 1.00 74.23 C ATOM 216 C GLU A 14 -8.660 -3.406 5.903 1.00 62.32 C ATOM 217 O GLU A 14 -8.673 -3.188 4.687 1.00 44.43 O ATOM 218 CB GLU A 14 -10.771 -2.723 7.194 1.00 13.02 C ATOM 219 CG GLU A 14 -12.133 -3.144 7.791 1.00 52.24 C ATOM 220 CD GLU A 14 -12.910 -1.974 8.423 1.00 52.43 C ATOM 221 OE1 GLU A 14 -13.635 -1.256 7.691 1.00 2.34 O ATOM 222 OE2 GLU A 14 -12.800 -1.764 9.651 1.00 64.03 O ATOM 0 H GLU A 14 -9.786 -4.484 8.666 1.00 53.55 H new ATOM 0 HA GLU A 14 -10.548 -4.435 5.908 1.00 74.23 H new ATOM 0 HB2 GLU A 14 -10.191 -2.212 7.962 1.00 13.02 H new ATOM 0 HB3 GLU A 14 -10.943 -2.004 6.393 1.00 13.02 H new ATOM 0 HG2 GLU A 14 -12.742 -3.594 7.007 1.00 52.24 H new ATOM 0 HG3 GLU A 14 -11.969 -3.912 8.547 1.00 52.24 H new ATOM 229 N LEU A 15 -7.559 -3.259 6.668 1.00 2.21 N ATOM 230 CA LEU A 15 -6.202 -3.046 6.115 1.00 5.31 C ATOM 231 C LEU A 15 -5.731 -4.292 5.318 1.00 41.21 C ATOM 232 O LEU A 15 -5.086 -4.156 4.290 1.00 61.13 O ATOM 233 CB LEU A 15 -5.193 -2.728 7.257 1.00 44.35 C ATOM 234 CG LEU A 15 -3.659 -2.701 6.861 1.00 50.22 C ATOM 235 CD1 LEU A 15 -3.061 -1.279 6.908 1.00 22.22 C ATOM 236 CD2 LEU A 15 -2.835 -3.695 7.723 1.00 25.20 C ATOM 0 H LEU A 15 -7.584 -3.284 7.687 1.00 2.21 H new ATOM 0 HA LEU A 15 -6.242 -2.195 5.435 1.00 5.31 H new ATOM 0 HB2 LEU A 15 -5.453 -1.758 7.681 1.00 44.35 H new ATOM 0 HB3 LEU A 15 -5.328 -3.467 8.047 1.00 44.35 H new ATOM 0 HG LEU A 15 -3.597 -3.029 5.823 1.00 50.22 H new ATOM 0 HD11 LEU A 15 -2.008 -1.318 6.628 1.00 22.22 H new ATOM 0 HD12 LEU A 15 -3.598 -0.635 6.212 1.00 22.22 H new ATOM 0 HD13 LEU A 15 -3.154 -0.879 7.918 1.00 22.22 H new ATOM 0 HD21 LEU A 15 -1.787 -3.652 7.426 1.00 25.20 H new ATOM 0 HD22 LEU A 15 -2.925 -3.426 8.775 1.00 25.20 H new ATOM 0 HD23 LEU A 15 -3.213 -4.706 7.574 1.00 25.20 H new ATOM 248 N LYS A 16 -6.065 -5.505 5.803 1.00 10.02 N ATOM 249 CA LYS A 16 -5.728 -6.770 5.097 1.00 73.20 C ATOM 250 C LYS A 16 -6.528 -6.920 3.770 1.00 44.31 C ATOM 251 O LYS A 16 -6.018 -7.473 2.801 1.00 34.52 O ATOM 252 CB LYS A 16 -5.968 -8.005 6.005 1.00 51.42 C ATOM 253 CG LYS A 16 -5.227 -7.986 7.362 1.00 43.24 C ATOM 254 CD LYS A 16 -3.698 -7.849 7.229 1.00 23.13 C ATOM 255 CE LYS A 16 -2.954 -7.984 8.575 1.00 22.14 C ATOM 256 NZ LYS A 16 -1.477 -8.078 8.379 1.00 41.10 N ATOM 0 H LYS A 16 -6.568 -5.641 6.680 1.00 10.02 H new ATOM 0 HA LYS A 16 -4.667 -6.720 4.851 1.00 73.20 H new ATOM 0 HB2 LYS A 16 -7.038 -8.092 6.196 1.00 51.42 H new ATOM 0 HB3 LYS A 16 -5.668 -8.900 5.459 1.00 51.42 H new ATOM 0 HG2 LYS A 16 -5.607 -7.159 7.962 1.00 43.24 H new ATOM 0 HG3 LYS A 16 -5.455 -8.904 7.904 1.00 43.24 H new ATOM 0 HD2 LYS A 16 -3.330 -8.610 6.541 1.00 23.13 H new ATOM 0 HD3 LYS A 16 -3.464 -6.880 6.788 1.00 23.13 H new ATOM 0 HE2 LYS A 16 -3.184 -7.126 9.206 1.00 22.14 H new ATOM 0 HE3 LYS A 16 -3.309 -8.870 9.100 1.00 22.14 H new ATOM 0 HZ1 LYS A 16 -1.007 -8.134 9.305 1.00 41.10 H new ATOM 0 HZ2 LYS A 16 -1.254 -8.930 7.826 1.00 41.10 H new ATOM 0 HZ3 LYS A 16 -1.140 -7.236 7.870 1.00 41.10 H new ATOM 270 N GLU A 17 -7.783 -6.422 3.752 1.00 55.24 N ATOM 271 CA GLU A 17 -8.622 -6.336 2.524 1.00 75.40 C ATOM 272 C GLU A 17 -8.017 -5.363 1.504 1.00 21.14 C ATOM 273 O GLU A 17 -8.085 -5.564 0.288 1.00 60.22 O ATOM 274 CB GLU A 17 -10.060 -5.871 2.887 1.00 40.23 C ATOM 275 CG GLU A 17 -10.847 -6.828 3.800 1.00 51.43 C ATOM 276 CD GLU A 17 -11.085 -8.210 3.167 1.00 10.33 C ATOM 277 OE1 GLU A 17 -11.933 -8.313 2.251 1.00 71.35 O ATOM 278 OE2 GLU A 17 -10.438 -9.200 3.587 1.00 32.12 O ATOM 0 H GLU A 17 -8.249 -6.066 4.587 1.00 55.24 H new ATOM 0 HA GLU A 17 -8.659 -7.330 2.078 1.00 75.40 H new ATOM 0 HB2 GLU A 17 -9.998 -4.898 3.375 1.00 40.23 H new ATOM 0 HB3 GLU A 17 -10.623 -5.730 1.964 1.00 40.23 H new ATOM 0 HG2 GLU A 17 -10.305 -6.953 4.737 1.00 51.43 H new ATOM 0 HG3 GLU A 17 -11.809 -6.377 4.045 1.00 51.43 H new ATOM 285 N LEU A 18 -7.414 -4.322 2.045 1.00 21.54 N ATOM 286 CA LEU A 18 -6.770 -3.259 1.284 1.00 74.51 C ATOM 287 C LEU A 18 -5.486 -3.786 0.600 1.00 62.33 C ATOM 288 O LEU A 18 -5.267 -3.590 -0.597 1.00 42.35 O ATOM 289 CB LEU A 18 -6.477 -2.107 2.285 1.00 14.31 C ATOM 290 CG LEU A 18 -6.475 -0.672 1.718 1.00 41.42 C ATOM 291 CD1 LEU A 18 -7.728 -0.438 0.858 1.00 11.53 C ATOM 292 CD2 LEU A 18 -6.395 0.349 2.870 1.00 42.04 C ATOM 0 H LEU A 18 -7.355 -4.185 3.054 1.00 21.54 H new ATOM 0 HA LEU A 18 -7.410 -2.894 0.480 1.00 74.51 H new ATOM 0 HB2 LEU A 18 -7.217 -2.155 3.083 1.00 14.31 H new ATOM 0 HB3 LEU A 18 -5.504 -2.293 2.741 1.00 14.31 H new ATOM 0 HG LEU A 18 -5.600 -0.540 1.082 1.00 41.42 H new ATOM 0 HD11 LEU A 18 -7.714 0.578 0.464 1.00 11.53 H new ATOM 0 HD12 LEU A 18 -7.739 -1.148 0.031 1.00 11.53 H new ATOM 0 HD13 LEU A 18 -8.620 -0.578 1.469 1.00 11.53 H new ATOM 0 HD21 LEU A 18 -6.394 1.359 2.461 1.00 42.04 H new ATOM 0 HD22 LEU A 18 -7.256 0.224 3.527 1.00 42.04 H new ATOM 0 HD23 LEU A 18 -5.479 0.186 3.437 1.00 42.04 H new ATOM 304 N ILE A 19 -4.672 -4.490 1.401 1.00 35.03 N ATOM 305 CA ILE A 19 -3.454 -5.199 0.955 1.00 65.34 C ATOM 306 C ILE A 19 -3.807 -6.344 -0.033 1.00 21.02 C ATOM 307 O ILE A 19 -3.047 -6.622 -0.959 1.00 72.31 O ATOM 308 CB ILE A 19 -2.677 -5.758 2.217 1.00 22.00 C ATOM 309 CG1 ILE A 19 -2.180 -4.575 3.116 1.00 72.40 C ATOM 310 CG2 ILE A 19 -1.501 -6.695 1.839 1.00 52.00 C ATOM 311 CD1 ILE A 19 -1.548 -4.986 4.437 1.00 30.33 C ATOM 0 H ILE A 19 -4.843 -4.587 2.402 1.00 35.03 H new ATOM 0 HA ILE A 19 -2.810 -4.498 0.424 1.00 65.34 H new ATOM 0 HB ILE A 19 -3.384 -6.366 2.781 1.00 22.00 H new ATOM 0 HG12 ILE A 19 -1.454 -3.990 2.551 1.00 72.40 H new ATOM 0 HG13 ILE A 19 -3.025 -3.919 3.325 1.00 72.40 H new ATOM 0 HG21 ILE A 19 -1.009 -7.045 2.746 1.00 52.00 H new ATOM 0 HG22 ILE A 19 -1.882 -7.550 1.280 1.00 52.00 H new ATOM 0 HG23 ILE A 19 -0.785 -6.150 1.225 1.00 52.00 H new ATOM 0 HD11 ILE A 19 -1.238 -4.096 4.984 1.00 30.33 H new ATOM 0 HD12 ILE A 19 -2.274 -5.542 5.030 1.00 30.33 H new ATOM 0 HD13 ILE A 19 -0.679 -5.615 4.244 1.00 30.33 H new ATOM 323 N GLN A 20 -4.979 -6.980 0.173 1.00 0.11 N ATOM 324 CA GLN A 20 -5.494 -8.062 -0.705 1.00 31.42 C ATOM 325 C GLN A 20 -5.671 -7.573 -2.158 1.00 32.22 C ATOM 326 O GLN A 20 -5.195 -8.221 -3.106 1.00 14.11 O ATOM 327 CB GLN A 20 -6.838 -8.614 -0.148 1.00 55.01 C ATOM 328 CG GLN A 20 -7.558 -9.658 -1.032 1.00 1.41 C ATOM 329 CD GLN A 20 -6.722 -10.904 -1.352 1.00 65.30 C ATOM 330 OE1 GLN A 20 -5.872 -11.331 -0.573 1.00 31.52 O ATOM 331 NE2 GLN A 20 -6.973 -11.509 -2.496 1.00 35.20 N ATOM 0 H GLN A 20 -5.599 -6.761 0.953 1.00 0.11 H new ATOM 0 HA GLN A 20 -4.758 -8.866 -0.714 1.00 31.42 H new ATOM 0 HB2 GLN A 20 -6.648 -9.062 0.827 1.00 55.01 H new ATOM 0 HB3 GLN A 20 -7.514 -7.774 0.013 1.00 55.01 H new ATOM 0 HG2 GLN A 20 -8.475 -9.970 -0.531 1.00 1.41 H new ATOM 0 HG3 GLN A 20 -7.852 -9.183 -1.968 1.00 1.41 H new ATOM 0 HE21 GLN A 20 -7.683 -11.135 -3.126 1.00 35.20 H new ATOM 0 HE22 GLN A 20 -6.457 -12.351 -2.752 1.00 35.20 H new ATOM 340 N ASN A 21 -6.361 -6.430 -2.316 1.00 34.11 N ATOM 341 CA ASN A 21 -6.548 -5.804 -3.635 1.00 61.32 C ATOM 342 C ASN A 21 -5.203 -5.342 -4.231 1.00 3.44 C ATOM 343 O ASN A 21 -4.852 -5.764 -5.320 1.00 3.21 O ATOM 344 CB ASN A 21 -7.547 -4.627 -3.566 1.00 52.22 C ATOM 345 CG ASN A 21 -8.982 -5.096 -3.340 1.00 42.23 C ATOM 346 OD1 ASN A 21 -9.449 -5.201 -2.216 1.00 41.31 O ATOM 347 ND2 ASN A 21 -9.683 -5.418 -4.416 1.00 33.34 N ATOM 0 H ASN A 21 -6.798 -5.922 -1.547 1.00 34.11 H new ATOM 0 HA ASN A 21 -6.969 -6.562 -4.296 1.00 61.32 H new ATOM 0 HB2 ASN A 21 -7.256 -3.954 -2.760 1.00 52.22 H new ATOM 0 HB3 ASN A 21 -7.496 -4.055 -4.493 1.00 52.22 H new ATOM 0 HD21 ASN A 21 -10.638 -5.764 -4.318 1.00 33.34 H new ATOM 0 HD22 ASN A 21 -9.268 -5.321 -5.343 1.00 33.34 H new ATOM 354 N VAL A 22 -4.432 -4.535 -3.470 1.00 3.33 N ATOM 355 CA VAL A 22 -3.146 -3.968 -3.955 1.00 70.51 C ATOM 356 C VAL A 22 -2.140 -5.074 -4.403 1.00 71.40 C ATOM 357 O VAL A 22 -1.475 -4.903 -5.411 1.00 0.33 O ATOM 358 CB VAL A 22 -2.487 -3.011 -2.888 1.00 33.43 C ATOM 359 CG1 VAL A 22 -1.110 -2.471 -3.346 1.00 70.44 C ATOM 360 CG2 VAL A 22 -3.422 -1.832 -2.567 1.00 32.33 C ATOM 0 H VAL A 22 -4.674 -4.259 -2.518 1.00 3.33 H new ATOM 0 HA VAL A 22 -3.389 -3.373 -4.836 1.00 70.51 H new ATOM 0 HB VAL A 22 -2.327 -3.609 -1.991 1.00 33.43 H new ATOM 0 HG11 VAL A 22 -0.701 -1.818 -2.575 1.00 70.44 H new ATOM 0 HG12 VAL A 22 -0.429 -3.306 -3.513 1.00 70.44 H new ATOM 0 HG13 VAL A 22 -1.229 -1.909 -4.272 1.00 70.44 H new ATOM 0 HG21 VAL A 22 -2.950 -1.183 -1.829 1.00 32.33 H new ATOM 0 HG22 VAL A 22 -3.617 -1.264 -3.477 1.00 32.33 H new ATOM 0 HG23 VAL A 22 -4.362 -2.212 -2.167 1.00 32.33 H new ATOM 370 N ASN A 23 -2.072 -6.213 -3.671 1.00 65.43 N ATOM 371 CA ASN A 23 -1.221 -7.378 -4.071 1.00 74.42 C ATOM 372 C ASN A 23 -1.633 -7.933 -5.447 1.00 41.21 C ATOM 373 O ASN A 23 -0.792 -8.091 -6.327 1.00 33.11 O ATOM 374 CB ASN A 23 -1.263 -8.543 -3.016 1.00 73.44 C ATOM 375 CG ASN A 23 -0.121 -8.482 -2.005 1.00 42.41 C ATOM 376 OD1 ASN A 23 0.974 -8.977 -2.256 1.00 42.24 O ATOM 377 ND2 ASN A 23 -0.365 -7.911 -0.854 1.00 3.34 N ATOM 0 H ASN A 23 -2.590 -6.357 -2.804 1.00 65.43 H new ATOM 0 HA ASN A 23 -0.201 -6.996 -4.124 1.00 74.42 H new ATOM 0 HB2 ASN A 23 -2.213 -8.508 -2.483 1.00 73.44 H new ATOM 0 HB3 ASN A 23 -1.226 -9.499 -3.539 1.00 73.44 H new ATOM 0 HD21 ASN A 23 0.363 -7.870 -0.141 1.00 3.34 H new ATOM 0 HD22 ASN A 23 -1.283 -7.507 -0.670 1.00 3.34 H new ATOM 384 N ASP A 24 -2.936 -8.219 -5.612 1.00 64.25 N ATOM 385 CA ASP A 24 -3.467 -8.847 -6.841 1.00 74.42 C ATOM 386 C ASP A 24 -3.389 -7.878 -8.054 1.00 53.21 C ATOM 387 O ASP A 24 -3.177 -8.305 -9.196 1.00 24.25 O ATOM 388 CB ASP A 24 -4.913 -9.343 -6.604 1.00 42.10 C ATOM 389 CG ASP A 24 -5.398 -10.289 -7.719 1.00 15.43 C ATOM 390 OD1 ASP A 24 -4.868 -11.427 -7.810 1.00 72.12 O ATOM 391 OD2 ASP A 24 -6.314 -9.917 -8.491 1.00 61.42 O ATOM 0 H ASP A 24 -3.647 -8.025 -4.907 1.00 64.25 H new ATOM 0 HA ASP A 24 -2.845 -9.709 -7.083 1.00 74.42 H new ATOM 0 HB2 ASP A 24 -4.965 -9.859 -5.645 1.00 42.10 H new ATOM 0 HB3 ASP A 24 -5.583 -8.486 -6.541 1.00 42.10 H new ATOM 396 N ASP A 25 -3.560 -6.576 -7.770 1.00 2.31 N ATOM 397 CA ASP A 25 -3.359 -5.487 -8.742 1.00 4.21 C ATOM 398 C ASP A 25 -1.879 -5.419 -9.199 1.00 71.01 C ATOM 399 O ASP A 25 -1.616 -5.370 -10.399 1.00 23.31 O ATOM 400 CB ASP A 25 -3.840 -4.124 -8.142 1.00 34.14 C ATOM 401 CG ASP A 25 -5.364 -3.920 -8.263 1.00 50.15 C ATOM 402 OD1 ASP A 25 -6.130 -4.574 -7.523 1.00 73.43 O ATOM 403 OD2 ASP A 25 -5.808 -3.144 -9.140 1.00 72.24 O ATOM 0 H ASP A 25 -3.845 -6.246 -6.848 1.00 2.31 H new ATOM 0 HA ASP A 25 -3.962 -5.695 -9.626 1.00 4.21 H new ATOM 0 HB2 ASP A 25 -3.554 -4.074 -7.091 1.00 34.14 H new ATOM 0 HB3 ASP A 25 -3.328 -3.308 -8.651 1.00 34.14 H new ATOM 408 N ILE A 26 -0.926 -5.462 -8.236 1.00 1.21 N ATOM 409 CA ILE A 26 0.535 -5.469 -8.538 1.00 35.20 C ATOM 410 C ILE A 26 0.951 -6.743 -9.324 1.00 2.20 C ATOM 411 O ILE A 26 1.801 -6.662 -10.198 1.00 43.33 O ATOM 412 CB ILE A 26 1.433 -5.320 -7.241 1.00 23.53 C ATOM 413 CG1 ILE A 26 1.208 -3.935 -6.552 1.00 15.40 C ATOM 414 CG2 ILE A 26 2.944 -5.510 -7.560 1.00 22.13 C ATOM 415 CD1 ILE A 26 1.944 -3.746 -5.232 1.00 43.40 C ATOM 0 H ILE A 26 -1.140 -5.493 -7.239 1.00 1.21 H new ATOM 0 HA ILE A 26 0.711 -4.594 -9.163 1.00 35.20 H new ATOM 0 HB ILE A 26 1.126 -6.109 -6.554 1.00 23.53 H new ATOM 0 HG12 ILE A 26 1.519 -3.149 -7.240 1.00 15.40 H new ATOM 0 HG13 ILE A 26 0.140 -3.802 -6.378 1.00 15.40 H new ATOM 0 HG21 ILE A 26 3.526 -5.400 -6.645 1.00 22.13 H new ATOM 0 HG22 ILE A 26 3.106 -6.505 -7.976 1.00 22.13 H new ATOM 0 HG23 ILE A 26 3.260 -4.758 -8.283 1.00 22.13 H new ATOM 0 HD11 ILE A 26 1.725 -2.756 -4.832 1.00 43.40 H new ATOM 0 HD12 ILE A 26 1.617 -4.505 -4.521 1.00 43.40 H new ATOM 0 HD13 ILE A 26 3.017 -3.842 -5.397 1.00 43.40 H new ATOM 427 N LYS A 27 0.333 -7.902 -9.018 1.00 23.43 N ATOM 428 CA LYS A 27 0.544 -9.168 -9.782 1.00 54.14 C ATOM 429 C LYS A 27 0.204 -8.976 -11.279 1.00 1.21 C ATOM 430 O LYS A 27 0.941 -9.417 -12.168 1.00 65.34 O ATOM 431 CB LYS A 27 -0.336 -10.305 -9.198 1.00 45.02 C ATOM 432 CG LYS A 27 0.090 -10.824 -7.803 1.00 12.33 C ATOM 433 CD LYS A 27 -0.997 -11.718 -7.146 1.00 32.11 C ATOM 434 CE LYS A 27 -1.450 -12.892 -8.037 1.00 20.02 C ATOM 435 NZ LYS A 27 -2.610 -13.617 -7.453 1.00 24.13 N ATOM 0 H LYS A 27 -0.323 -7.996 -8.243 1.00 23.43 H new ATOM 0 HA LYS A 27 1.596 -9.439 -9.692 1.00 54.14 H new ATOM 0 HB2 LYS A 27 -1.365 -9.950 -9.136 1.00 45.02 H new ATOM 0 HB3 LYS A 27 -0.329 -11.142 -9.896 1.00 45.02 H new ATOM 0 HG2 LYS A 27 1.016 -11.392 -7.897 1.00 12.33 H new ATOM 0 HG3 LYS A 27 0.301 -9.976 -7.152 1.00 12.33 H new ATOM 0 HD2 LYS A 27 -0.611 -12.113 -6.206 1.00 32.11 H new ATOM 0 HD3 LYS A 27 -1.863 -11.103 -6.902 1.00 32.11 H new ATOM 0 HE2 LYS A 27 -1.717 -12.516 -9.025 1.00 20.02 H new ATOM 0 HE3 LYS A 27 -0.620 -13.585 -8.173 1.00 20.02 H new ATOM 0 HZ1 LYS A 27 -2.777 -14.493 -7.988 1.00 24.13 H new ATOM 0 HZ2 LYS A 27 -2.409 -13.851 -6.460 1.00 24.13 H new ATOM 0 HZ3 LYS A 27 -3.456 -13.015 -7.502 1.00 24.13 H new ATOM 449 N GLU A 28 -0.921 -8.295 -11.528 1.00 73.44 N ATOM 450 CA GLU A 28 -1.363 -7.936 -12.883 1.00 34.22 C ATOM 451 C GLU A 28 -0.484 -6.822 -13.504 1.00 3.51 C ATOM 452 O GLU A 28 -0.394 -6.728 -14.722 1.00 32.02 O ATOM 453 CB GLU A 28 -2.849 -7.519 -12.858 1.00 12.45 C ATOM 454 CG GLU A 28 -3.829 -8.635 -12.423 1.00 23.43 C ATOM 455 CD GLU A 28 -3.882 -9.818 -13.408 1.00 21.30 C ATOM 456 OE1 GLU A 28 -4.678 -9.765 -14.370 1.00 25.33 O ATOM 457 OE2 GLU A 28 -3.115 -10.793 -13.237 1.00 2.31 O ATOM 0 H GLU A 28 -1.553 -7.976 -10.794 1.00 73.44 H new ATOM 0 HA GLU A 28 -1.251 -8.816 -13.517 1.00 34.22 H new ATOM 0 HB2 GLU A 28 -2.963 -6.671 -12.182 1.00 12.45 H new ATOM 0 HB3 GLU A 28 -3.132 -7.174 -13.853 1.00 12.45 H new ATOM 0 HG2 GLU A 28 -3.536 -9.003 -11.440 1.00 23.43 H new ATOM 0 HG3 GLU A 28 -4.828 -8.212 -12.320 1.00 23.43 H new ATOM 464 N VAL A 29 0.139 -5.970 -12.655 1.00 74.45 N ATOM 465 CA VAL A 29 1.117 -4.943 -13.106 1.00 40.44 C ATOM 466 C VAL A 29 2.488 -5.582 -13.493 1.00 12.31 C ATOM 467 O VAL A 29 3.170 -5.114 -14.410 1.00 61.33 O ATOM 468 CB VAL A 29 1.350 -3.819 -12.022 1.00 34.32 C ATOM 469 CG1 VAL A 29 2.412 -2.817 -12.487 1.00 12.14 C ATOM 470 CG2 VAL A 29 0.052 -3.064 -11.673 1.00 41.11 C ATOM 0 H VAL A 29 -0.018 -5.972 -11.647 1.00 74.45 H new ATOM 0 HA VAL A 29 0.678 -4.481 -13.990 1.00 40.44 H new ATOM 0 HB VAL A 29 1.699 -4.327 -11.123 1.00 34.32 H new ATOM 0 HG11 VAL A 29 2.552 -2.054 -11.721 1.00 12.14 H new ATOM 0 HG12 VAL A 29 3.354 -3.338 -12.657 1.00 12.14 H new ATOM 0 HG13 VAL A 29 2.086 -2.345 -13.414 1.00 12.14 H new ATOM 0 HG21 VAL A 29 0.265 -2.302 -10.924 1.00 41.11 H new ATOM 0 HG22 VAL A 29 -0.346 -2.590 -12.570 1.00 41.11 H new ATOM 0 HG23 VAL A 29 -0.682 -3.766 -11.278 1.00 41.11 H new ATOM 480 N GLU A 30 2.877 -6.661 -12.800 1.00 4.24 N ATOM 481 CA GLU A 30 4.097 -7.444 -13.133 1.00 12.31 C ATOM 482 C GLU A 30 3.981 -8.059 -14.557 1.00 35.02 C ATOM 483 O GLU A 30 4.983 -8.379 -15.199 1.00 65.23 O ATOM 484 CB GLU A 30 4.320 -8.545 -12.057 1.00 52.03 C ATOM 485 CG GLU A 30 4.652 -7.997 -10.641 1.00 12.11 C ATOM 486 CD GLU A 30 4.631 -9.067 -9.530 1.00 43.53 C ATOM 487 OE1 GLU A 30 5.337 -10.090 -9.668 1.00 62.44 O ATOM 488 OE2 GLU A 30 3.905 -8.900 -8.519 1.00 34.14 O ATOM 0 H GLU A 30 2.365 -7.022 -11.995 1.00 4.24 H new ATOM 0 HA GLU A 30 4.962 -6.780 -13.133 1.00 12.31 H new ATOM 0 HB2 GLU A 30 3.424 -9.162 -11.994 1.00 52.03 H new ATOM 0 HB3 GLU A 30 5.132 -9.195 -12.382 1.00 52.03 H new ATOM 0 HG2 GLU A 30 5.638 -7.533 -10.665 1.00 12.11 H new ATOM 0 HG3 GLU A 30 3.937 -7.214 -10.390 1.00 12.11 H new ATOM 495 N LYS A 31 2.732 -8.203 -15.023 1.00 51.52 N ATOM 496 CA LYS A 31 2.397 -8.584 -16.409 1.00 65.20 C ATOM 497 C LYS A 31 2.223 -7.331 -17.289 1.00 43.05 C ATOM 498 O LYS A 31 2.727 -7.261 -18.412 1.00 33.22 O ATOM 499 CB LYS A 31 1.076 -9.392 -16.397 1.00 33.31 C ATOM 500 CG LYS A 31 1.080 -10.529 -15.369 1.00 33.14 C ATOM 501 CD LYS A 31 -0.255 -11.297 -15.292 1.00 44.25 C ATOM 502 CE LYS A 31 -0.233 -12.421 -14.238 1.00 22.44 C ATOM 503 NZ LYS A 31 -1.539 -13.125 -14.149 1.00 22.33 N ATOM 0 H LYS A 31 1.909 -8.056 -14.439 1.00 51.52 H new ATOM 0 HA LYS A 31 3.207 -9.186 -16.821 1.00 65.20 H new ATOM 0 HB2 LYS A 31 0.246 -8.718 -16.183 1.00 33.31 H new ATOM 0 HB3 LYS A 31 0.901 -9.807 -17.390 1.00 33.31 H new ATOM 0 HG2 LYS A 31 1.878 -11.229 -15.617 1.00 33.14 H new ATOM 0 HG3 LYS A 31 1.310 -10.118 -14.386 1.00 33.14 H new ATOM 0 HD2 LYS A 31 -1.058 -10.599 -15.056 1.00 44.25 H new ATOM 0 HD3 LYS A 31 -0.481 -11.725 -16.269 1.00 44.25 H new ATOM 0 HE2 LYS A 31 0.549 -13.138 -14.488 1.00 22.44 H new ATOM 0 HE3 LYS A 31 0.020 -12.001 -13.265 1.00 22.44 H new ATOM 0 HZ1 LYS A 31 -1.467 -13.906 -13.466 1.00 22.33 H new ATOM 0 HZ2 LYS A 31 -2.273 -12.458 -13.836 1.00 22.33 H new ATOM 0 HZ3 LYS A 31 -1.793 -13.505 -15.083 1.00 22.33 H new ATOM 517 N ASN A 32 1.494 -6.340 -16.736 1.00 43.12 N ATOM 518 CA ASN A 32 1.061 -5.127 -17.455 1.00 42.04 C ATOM 519 C ASN A 32 1.528 -3.840 -16.704 1.00 12.00 C ATOM 520 O ASN A 32 0.755 -3.260 -15.927 1.00 34.13 O ATOM 521 CB ASN A 32 -0.485 -5.123 -17.618 1.00 43.54 C ATOM 522 CG ASN A 32 -1.028 -6.358 -18.327 1.00 11.10 C ATOM 523 OD1 ASN A 32 -1.102 -6.405 -19.550 1.00 15.05 O ATOM 524 ND2 ASN A 32 -1.411 -7.366 -17.570 1.00 54.33 N ATOM 0 H ASN A 32 1.186 -6.361 -15.764 1.00 43.12 H new ATOM 0 HA ASN A 32 1.521 -5.132 -18.443 1.00 42.04 H new ATOM 0 HB2 ASN A 32 -0.945 -5.048 -16.633 1.00 43.54 H new ATOM 0 HB3 ASN A 32 -0.781 -4.235 -18.176 1.00 43.54 H new ATOM 0 HD21 ASN A 32 -1.781 -8.214 -17.999 1.00 54.33 H new ATOM 0 HD22 ASN A 32 -1.338 -7.298 -16.555 1.00 54.33 H new ATOM 531 N PRO A 33 2.810 -3.382 -16.902 1.00 21.23 N ATOM 532 CA PRO A 33 3.419 -2.316 -16.054 1.00 14.41 C ATOM 533 C PRO A 33 2.814 -0.901 -16.264 1.00 1.12 C ATOM 534 O PRO A 33 2.568 -0.172 -15.299 1.00 55.45 O ATOM 535 CB PRO A 33 4.920 -2.369 -16.454 1.00 73.51 C ATOM 536 CG PRO A 33 4.922 -2.892 -17.859 1.00 54.02 C ATOM 537 CD PRO A 33 3.758 -3.864 -17.947 1.00 62.43 C ATOM 0 HA PRO A 33 3.234 -2.495 -14.995 1.00 14.41 H new ATOM 0 HB2 PRO A 33 5.380 -1.382 -16.398 1.00 73.51 H new ATOM 0 HB3 PRO A 33 5.484 -3.022 -15.788 1.00 73.51 H new ATOM 0 HG2 PRO A 33 4.807 -2.080 -18.577 1.00 54.02 H new ATOM 0 HG3 PRO A 33 5.864 -3.390 -18.088 1.00 54.02 H new ATOM 0 HD2 PRO A 33 3.302 -3.852 -18.937 1.00 62.43 H new ATOM 0 HD3 PRO A 33 4.077 -4.888 -17.755 1.00 62.43 H new ATOM 545 N GLU A 34 2.546 -0.551 -17.532 1.00 41.00 N ATOM 546 CA GLU A 34 2.153 0.821 -17.944 1.00 42.34 C ATOM 547 C GLU A 34 0.677 1.135 -17.559 1.00 42.23 C ATOM 548 O GLU A 34 0.280 2.302 -17.500 1.00 2.41 O ATOM 549 CB GLU A 34 2.421 0.957 -19.484 1.00 3.24 C ATOM 550 CG GLU A 34 2.574 2.400 -20.051 1.00 64.13 C ATOM 551 CD GLU A 34 1.241 3.138 -20.301 1.00 20.04 C ATOM 552 OE1 GLU A 34 0.421 2.626 -21.096 1.00 64.25 O ATOM 553 OE2 GLU A 34 1.005 4.215 -19.707 1.00 34.24 O ATOM 0 H GLU A 34 2.594 -1.209 -18.310 1.00 41.00 H new ATOM 0 HA GLU A 34 2.750 1.561 -17.412 1.00 42.34 H new ATOM 0 HB2 GLU A 34 3.329 0.402 -19.720 1.00 3.24 H new ATOM 0 HB3 GLU A 34 1.603 0.470 -20.014 1.00 3.24 H new ATOM 0 HG2 GLU A 34 3.174 2.987 -19.356 1.00 64.13 H new ATOM 0 HG3 GLU A 34 3.128 2.351 -20.988 1.00 64.13 H new ATOM 560 N ASP A 35 -0.105 0.084 -17.252 1.00 61.03 N ATOM 561 CA ASP A 35 -1.551 0.186 -16.957 1.00 24.22 C ATOM 562 C ASP A 35 -1.837 0.999 -15.661 1.00 23.22 C ATOM 563 O ASP A 35 -1.797 0.472 -14.543 1.00 40.11 O ATOM 564 CB ASP A 35 -2.169 -1.240 -16.896 1.00 21.31 C ATOM 565 CG ASP A 35 -2.132 -1.955 -18.263 1.00 61.10 C ATOM 566 OD1 ASP A 35 -1.035 -2.061 -18.863 1.00 24.14 O ATOM 567 OD2 ASP A 35 -3.192 -2.399 -18.751 1.00 74.52 O ATOM 0 H ASP A 35 0.250 -0.871 -17.201 1.00 61.03 H new ATOM 0 HA ASP A 35 -2.027 0.742 -17.764 1.00 24.22 H new ATOM 0 HB2 ASP A 35 -1.628 -1.837 -16.162 1.00 21.31 H new ATOM 0 HB3 ASP A 35 -3.201 -1.172 -16.552 1.00 21.31 H new ATOM 572 N MET A 36 -2.132 2.298 -15.850 1.00 61.40 N ATOM 573 CA MET A 36 -2.411 3.252 -14.752 1.00 62.41 C ATOM 574 C MET A 36 -3.843 3.146 -14.202 1.00 0.53 C ATOM 575 O MET A 36 -4.200 3.864 -13.284 1.00 60.21 O ATOM 576 CB MET A 36 -2.094 4.687 -15.229 1.00 23.33 C ATOM 577 CG MET A 36 -0.598 4.988 -15.210 1.00 30.41 C ATOM 578 SD MET A 36 0.044 4.870 -13.531 1.00 50.34 S ATOM 579 CE MET A 36 1.748 4.433 -13.820 1.00 33.24 C ATOM 0 H MET A 36 -2.185 2.722 -16.776 1.00 61.40 H new ATOM 0 HA MET A 36 -1.762 2.992 -13.916 1.00 62.41 H new ATOM 0 HB2 MET A 36 -2.477 4.824 -16.240 1.00 23.33 H new ATOM 0 HB3 MET A 36 -2.614 5.402 -14.592 1.00 23.33 H new ATOM 0 HG2 MET A 36 -0.071 4.287 -15.858 1.00 30.41 H new ATOM 0 HG3 MET A 36 -0.416 5.987 -15.606 1.00 30.41 H new ATOM 0 HE1 MET A 36 2.308 4.518 -12.889 1.00 33.24 H new ATOM 0 HE2 MET A 36 1.804 3.407 -14.184 1.00 33.24 H new ATOM 0 HE3 MET A 36 2.175 5.106 -14.564 1.00 33.24 H new ATOM 589 N GLU A 37 -4.648 2.280 -14.799 1.00 34.31 N ATOM 590 CA GLU A 37 -5.954 1.850 -14.240 1.00 54.31 C ATOM 591 C GLU A 37 -5.744 0.945 -12.999 1.00 3.52 C ATOM 592 O GLU A 37 -6.517 0.996 -12.038 1.00 21.51 O ATOM 593 CB GLU A 37 -6.780 1.109 -15.331 1.00 44.23 C ATOM 594 CG GLU A 37 -7.396 2.008 -16.437 1.00 62.33 C ATOM 595 CD GLU A 37 -6.399 2.966 -17.123 1.00 11.03 C ATOM 596 OE1 GLU A 37 -5.423 2.481 -17.742 1.00 60.41 O ATOM 597 OE2 GLU A 37 -6.549 4.206 -16.990 1.00 53.24 O ATOM 0 H GLU A 37 -4.426 1.843 -15.693 1.00 34.31 H new ATOM 0 HA GLU A 37 -6.509 2.733 -13.922 1.00 54.31 H new ATOM 0 HB2 GLU A 37 -6.137 0.369 -15.807 1.00 44.23 H new ATOM 0 HB3 GLU A 37 -7.586 0.563 -14.841 1.00 44.23 H new ATOM 0 HG2 GLU A 37 -7.845 1.369 -17.197 1.00 62.33 H new ATOM 0 HG3 GLU A 37 -8.202 2.597 -15.999 1.00 62.33 H new ATOM 604 N TYR A 38 -4.690 0.110 -13.055 1.00 31.13 N ATOM 605 CA TYR A 38 -4.223 -0.702 -11.905 1.00 0.52 C ATOM 606 C TYR A 38 -3.521 0.173 -10.847 1.00 12.23 C ATOM 607 O TYR A 38 -3.820 0.072 -9.658 1.00 1.00 O ATOM 608 CB TYR A 38 -3.293 -1.847 -12.400 1.00 2.30 C ATOM 609 CG TYR A 38 -4.084 -3.066 -12.890 1.00 40.21 C ATOM 610 CD1 TYR A 38 -4.549 -4.010 -11.977 1.00 71.41 C ATOM 611 CD2 TYR A 38 -4.407 -3.253 -14.234 1.00 42.32 C ATOM 612 CE1 TYR A 38 -5.298 -5.089 -12.374 1.00 14.01 C ATOM 613 CE2 TYR A 38 -5.156 -4.345 -14.638 1.00 73.44 C ATOM 614 CZ TYR A 38 -5.598 -5.258 -13.702 1.00 63.34 C ATOM 615 OH TYR A 38 -6.356 -6.340 -14.094 1.00 64.22 O ATOM 0 H TYR A 38 -4.134 -0.024 -13.899 1.00 31.13 H new ATOM 0 HA TYR A 38 -5.093 -1.149 -11.425 1.00 0.52 H new ATOM 0 HB2 TYR A 38 -2.662 -1.477 -13.208 1.00 2.30 H new ATOM 0 HB3 TYR A 38 -2.629 -2.149 -11.590 1.00 2.30 H new ATOM 0 HD1 TYR A 38 -4.314 -3.889 -10.930 1.00 71.41 H new ATOM 0 HD2 TYR A 38 -4.069 -2.537 -14.968 1.00 42.32 H new ATOM 0 HE1 TYR A 38 -5.650 -5.803 -11.644 1.00 14.01 H new ATOM 0 HE2 TYR A 38 -5.394 -4.482 -15.683 1.00 73.44 H new ATOM 0 HH TYR A 38 -6.482 -6.317 -15.066 1.00 64.22 H new ATOM 625 N TRP A 39 -2.598 1.041 -11.300 1.00 64.24 N ATOM 626 CA TRP A 39 -1.880 1.992 -10.416 1.00 64.11 C ATOM 627 C TRP A 39 -2.822 3.044 -9.780 1.00 72.12 C ATOM 628 O TRP A 39 -2.518 3.562 -8.708 1.00 50.32 O ATOM 629 CB TRP A 39 -0.707 2.667 -11.162 1.00 75.32 C ATOM 630 CG TRP A 39 0.476 1.745 -11.396 1.00 2.31 C ATOM 631 CD1 TRP A 39 0.924 1.242 -12.587 1.00 13.14 C ATOM 632 CD2 TRP A 39 1.343 1.197 -10.383 1.00 11.35 C ATOM 633 NE1 TRP A 39 2.032 0.464 -12.379 1.00 21.32 N ATOM 634 CE2 TRP A 39 2.297 0.408 -11.033 1.00 22.14 C ATOM 635 CE3 TRP A 39 1.405 1.310 -8.992 1.00 34.15 C ATOM 636 CZ2 TRP A 39 3.306 -0.264 -10.338 1.00 22.23 C ATOM 637 CZ3 TRP A 39 2.396 0.635 -8.306 1.00 14.31 C ATOM 638 CH2 TRP A 39 3.339 -0.141 -8.982 1.00 70.53 C ATOM 0 H TRP A 39 -2.327 1.107 -12.281 1.00 64.24 H new ATOM 0 HA TRP A 39 -1.470 1.407 -9.593 1.00 64.11 H new ATOM 0 HB2 TRP A 39 -1.064 3.037 -12.123 1.00 75.32 H new ATOM 0 HB3 TRP A 39 -0.374 3.533 -10.590 1.00 75.32 H new ATOM 0 HD1 TRP A 39 0.471 1.431 -13.549 1.00 13.14 H new ATOM 0 HE1 TRP A 39 2.574 0.000 -13.108 1.00 21.32 H new ATOM 0 HE3 TRP A 39 0.688 1.917 -8.460 1.00 34.15 H new ATOM 0 HZ2 TRP A 39 4.037 -0.863 -10.860 1.00 22.23 H new ATOM 0 HZ3 TRP A 39 2.442 0.709 -7.230 1.00 14.31 H new ATOM 0 HH2 TRP A 39 4.107 -0.652 -8.421 1.00 70.53 H new ATOM 649 N ASN A 40 -3.944 3.368 -10.459 1.00 74.34 N ATOM 650 CA ASN A 40 -5.037 4.182 -9.895 1.00 14.10 C ATOM 651 C ASN A 40 -5.548 3.571 -8.574 1.00 3.14 C ATOM 652 O ASN A 40 -5.642 4.264 -7.553 1.00 12.34 O ATOM 653 CB ASN A 40 -6.163 4.225 -10.955 1.00 0.41 C ATOM 654 CG ASN A 40 -7.390 5.043 -10.597 1.00 51.52 C ATOM 655 OD1 ASN A 40 -7.828 5.119 -9.461 1.00 73.13 O ATOM 656 ND2 ASN A 40 -7.970 5.655 -11.585 1.00 20.43 N ATOM 0 H ASN A 40 -4.115 3.069 -11.419 1.00 74.34 H new ATOM 0 HA ASN A 40 -4.689 5.189 -9.664 1.00 14.10 H new ATOM 0 HB2 ASN A 40 -5.746 4.620 -11.881 1.00 0.41 H new ATOM 0 HB3 ASN A 40 -6.481 3.202 -11.159 1.00 0.41 H new ATOM 0 HD21 ASN A 40 -8.808 6.212 -11.418 1.00 20.43 H new ATOM 0 HD22 ASN A 40 -7.587 5.578 -12.527 1.00 20.43 H new ATOM 663 N LYS A 41 -5.853 2.264 -8.625 1.00 23.32 N ATOM 664 CA LYS A 41 -6.299 1.493 -7.449 1.00 14.42 C ATOM 665 C LYS A 41 -5.220 1.527 -6.351 1.00 23.44 C ATOM 666 O LYS A 41 -5.454 2.045 -5.274 1.00 43.23 O ATOM 667 CB LYS A 41 -6.591 0.017 -7.842 1.00 0.34 C ATOM 668 CG LYS A 41 -7.547 -0.163 -9.039 1.00 22.15 C ATOM 669 CD LYS A 41 -8.925 0.511 -8.846 1.00 64.33 C ATOM 670 CE LYS A 41 -9.854 0.270 -10.050 1.00 44.42 C ATOM 671 NZ LYS A 41 -11.155 0.967 -9.898 1.00 42.11 N ATOM 0 H LYS A 41 -5.798 1.711 -9.480 1.00 23.32 H new ATOM 0 HA LYS A 41 -7.215 1.947 -7.071 1.00 14.42 H new ATOM 0 HB2 LYS A 41 -5.646 -0.475 -8.074 1.00 0.34 H new ATOM 0 HB3 LYS A 41 -7.014 -0.496 -6.978 1.00 0.34 H new ATOM 0 HG2 LYS A 41 -7.075 0.246 -9.933 1.00 22.15 H new ATOM 0 HG3 LYS A 41 -7.696 -1.228 -9.216 1.00 22.15 H new ATOM 0 HD2 LYS A 41 -9.395 0.125 -7.942 1.00 64.33 H new ATOM 0 HD3 LYS A 41 -8.788 1.583 -8.701 1.00 64.33 H new ATOM 0 HE2 LYS A 41 -9.363 0.613 -10.961 1.00 44.42 H new ATOM 0 HE3 LYS A 41 -10.027 -0.800 -10.165 1.00 44.42 H new ATOM 0 HZ1 LYS A 41 -11.749 0.778 -10.730 1.00 42.11 H new ATOM 0 HZ2 LYS A 41 -11.636 0.621 -9.043 1.00 42.11 H new ATOM 0 HZ3 LYS A 41 -10.993 1.991 -9.814 1.00 42.11 H new ATOM 685 N ILE A 42 -4.010 1.073 -6.715 1.00 62.40 N ATOM 686 CA ILE A 42 -2.857 0.930 -5.796 1.00 43.04 C ATOM 687 C ILE A 42 -2.533 2.254 -5.050 1.00 0.34 C ATOM 688 O ILE A 42 -2.287 2.242 -3.851 1.00 74.24 O ATOM 689 CB ILE A 42 -1.604 0.413 -6.603 1.00 22.12 C ATOM 690 CG1 ILE A 42 -1.922 -0.989 -7.233 1.00 1.10 C ATOM 691 CG2 ILE A 42 -0.320 0.360 -5.725 1.00 14.31 C ATOM 692 CD1 ILE A 42 -0.930 -1.474 -8.279 1.00 33.44 C ATOM 0 H ILE A 42 -3.796 0.789 -7.671 1.00 62.40 H new ATOM 0 HA ILE A 42 -3.121 0.201 -5.030 1.00 43.04 H new ATOM 0 HB ILE A 42 -1.400 1.124 -7.403 1.00 22.12 H new ATOM 0 HG12 ILE A 42 -1.969 -1.726 -6.432 1.00 1.10 H new ATOM 0 HG13 ILE A 42 -2.912 -0.948 -7.687 1.00 1.10 H new ATOM 0 HG21 ILE A 42 0.516 -0.002 -6.324 1.00 14.31 H new ATOM 0 HG22 ILE A 42 -0.093 1.359 -5.351 1.00 14.31 H new ATOM 0 HG23 ILE A 42 -0.482 -0.314 -4.884 1.00 14.31 H new ATOM 0 HD11 ILE A 42 -1.241 -2.450 -8.650 1.00 33.44 H new ATOM 0 HD12 ILE A 42 -0.897 -0.765 -9.106 1.00 33.44 H new ATOM 0 HD13 ILE A 42 0.060 -1.555 -7.831 1.00 33.44 H new ATOM 704 N TYR A 43 -2.598 3.384 -5.771 1.00 43.34 N ATOM 705 CA TYR A 43 -2.335 4.726 -5.204 1.00 54.42 C ATOM 706 C TYR A 43 -3.414 5.112 -4.153 1.00 60.11 C ATOM 707 O TYR A 43 -3.089 5.465 -3.015 1.00 24.11 O ATOM 708 CB TYR A 43 -2.291 5.781 -6.350 1.00 35.24 C ATOM 709 CG TYR A 43 -1.715 7.178 -6.002 1.00 33.23 C ATOM 710 CD1 TYR A 43 -1.265 7.514 -4.718 1.00 50.21 C ATOM 711 CD2 TYR A 43 -1.616 8.165 -6.992 1.00 31.35 C ATOM 712 CE1 TYR A 43 -0.756 8.760 -4.438 1.00 45.14 C ATOM 713 CE2 TYR A 43 -1.102 9.415 -6.708 1.00 51.25 C ATOM 714 CZ TYR A 43 -0.675 9.707 -5.426 1.00 11.44 C ATOM 715 OH TYR A 43 -0.157 10.949 -5.136 1.00 2.05 O ATOM 0 H TYR A 43 -2.834 3.399 -6.763 1.00 43.34 H new ATOM 0 HA TYR A 43 -1.370 4.705 -4.698 1.00 54.42 H new ATOM 0 HB2 TYR A 43 -1.703 5.367 -7.169 1.00 35.24 H new ATOM 0 HB3 TYR A 43 -3.306 5.917 -6.724 1.00 35.24 H new ATOM 0 HD1 TYR A 43 -1.319 6.777 -3.930 1.00 50.21 H new ATOM 0 HD2 TYR A 43 -1.948 7.944 -7.996 1.00 31.35 H new ATOM 0 HE1 TYR A 43 -0.420 8.993 -3.439 1.00 45.14 H new ATOM 0 HE2 TYR A 43 -1.034 10.162 -7.485 1.00 51.25 H new ATOM 0 HH TYR A 43 0.086 11.405 -5.969 1.00 2.05 H new ATOM 725 N ARG A 44 -4.694 5.034 -4.554 1.00 75.12 N ATOM 726 CA ARG A 44 -5.837 5.455 -3.707 1.00 24.54 C ATOM 727 C ARG A 44 -6.056 4.516 -2.495 1.00 11.21 C ATOM 728 O ARG A 44 -6.547 4.944 -1.442 1.00 12.02 O ATOM 729 CB ARG A 44 -7.122 5.561 -4.572 1.00 44.41 C ATOM 730 CG ARG A 44 -7.040 6.629 -5.689 1.00 61.34 C ATOM 731 CD ARG A 44 -8.309 6.693 -6.563 1.00 11.12 C ATOM 732 NE ARG A 44 -8.208 7.737 -7.602 1.00 65.54 N ATOM 733 CZ ARG A 44 -9.025 7.888 -8.624 1.00 4.01 C ATOM 734 NH1 ARG A 44 -10.045 7.107 -8.806 1.00 54.00 N ATOM 735 NH2 ARG A 44 -8.808 8.842 -9.463 1.00 12.41 N ATOM 0 H ARG A 44 -4.971 4.680 -5.469 1.00 75.12 H new ATOM 0 HA ARG A 44 -5.600 6.436 -3.295 1.00 24.54 H new ATOM 0 HB2 ARG A 44 -7.324 4.590 -5.025 1.00 44.41 H new ATOM 0 HB3 ARG A 44 -7.967 5.792 -3.923 1.00 44.41 H new ATOM 0 HG2 ARG A 44 -6.869 7.606 -5.237 1.00 61.34 H new ATOM 0 HG3 ARG A 44 -6.180 6.416 -6.324 1.00 61.34 H new ATOM 0 HD2 ARG A 44 -8.474 5.725 -7.036 1.00 11.12 H new ATOM 0 HD3 ARG A 44 -9.175 6.891 -5.932 1.00 11.12 H new ATOM 0 HE ARG A 44 -7.437 8.400 -7.521 1.00 65.54 H new ATOM 0 HH11 ARG A 44 -10.232 6.351 -8.148 1.00 54.00 H new ATOM 0 HH12 ARG A 44 -10.660 7.249 -9.607 1.00 54.00 H new ATOM 0 HH21 ARG A 44 -8.013 9.467 -9.330 1.00 12.41 H new ATOM 0 HH22 ARG A 44 -9.432 8.972 -10.260 1.00 12.41 H new ATOM 749 N LEU A 45 -5.667 3.240 -2.641 1.00 30.45 N ATOM 750 CA LEU A 45 -5.756 2.243 -1.554 1.00 11.11 C ATOM 751 C LEU A 45 -4.594 2.421 -0.542 1.00 15.20 C ATOM 752 O LEU A 45 -4.799 2.303 0.663 1.00 52.42 O ATOM 753 CB LEU A 45 -5.778 0.807 -2.139 1.00 53.54 C ATOM 754 CG LEU A 45 -6.957 0.485 -3.124 1.00 10.44 C ATOM 755 CD1 LEU A 45 -6.899 -0.974 -3.632 1.00 31.21 C ATOM 756 CD2 LEU A 45 -8.338 0.831 -2.519 1.00 40.11 C ATOM 0 H LEU A 45 -5.283 2.868 -3.510 1.00 30.45 H new ATOM 0 HA LEU A 45 -6.689 2.403 -1.014 1.00 11.11 H new ATOM 0 HB2 LEU A 45 -4.837 0.634 -2.661 1.00 53.54 H new ATOM 0 HB3 LEU A 45 -5.818 0.099 -1.311 1.00 53.54 H new ATOM 0 HG LEU A 45 -6.826 1.132 -3.991 1.00 10.44 H new ATOM 0 HD11 LEU A 45 -7.732 -1.156 -4.311 1.00 31.21 H new ATOM 0 HD12 LEU A 45 -5.959 -1.139 -4.159 1.00 31.21 H new ATOM 0 HD13 LEU A 45 -6.965 -1.657 -2.785 1.00 31.21 H new ATOM 0 HD21 LEU A 45 -9.121 0.590 -3.238 1.00 40.11 H new ATOM 0 HD22 LEU A 45 -8.492 0.252 -1.608 1.00 40.11 H new ATOM 0 HD23 LEU A 45 -8.376 1.895 -2.284 1.00 40.11 H new ATOM 768 N VAL A 46 -3.379 2.727 -1.050 1.00 65.20 N ATOM 769 CA VAL A 46 -2.206 3.083 -0.203 1.00 12.21 C ATOM 770 C VAL A 46 -2.417 4.448 0.514 1.00 72.01 C ATOM 771 O VAL A 46 -1.915 4.661 1.622 1.00 51.01 O ATOM 772 CB VAL A 46 -0.866 3.074 -1.045 1.00 32.44 C ATOM 773 CG1 VAL A 46 0.297 3.804 -0.325 1.00 13.30 C ATOM 774 CG2 VAL A 46 -0.454 1.616 -1.392 1.00 11.45 C ATOM 0 H VAL A 46 -3.179 2.736 -2.050 1.00 65.20 H new ATOM 0 HA VAL A 46 -2.114 2.319 0.569 1.00 12.21 H new ATOM 0 HB VAL A 46 -1.066 3.623 -1.965 1.00 32.44 H new ATOM 0 HG11 VAL A 46 1.191 3.767 -0.948 1.00 13.30 H new ATOM 0 HG12 VAL A 46 0.020 4.843 -0.149 1.00 13.30 H new ATOM 0 HG13 VAL A 46 0.498 3.315 0.628 1.00 13.30 H new ATOM 0 HG21 VAL A 46 0.469 1.627 -1.971 1.00 11.45 H new ATOM 0 HG22 VAL A 46 -0.298 1.053 -0.472 1.00 11.45 H new ATOM 0 HG23 VAL A 46 -1.244 1.144 -1.977 1.00 11.45 H new ATOM 784 N HIS A 47 -3.185 5.346 -0.125 1.00 25.21 N ATOM 785 CA HIS A 47 -3.636 6.621 0.482 1.00 42.41 C ATOM 786 C HIS A 47 -4.478 6.348 1.758 1.00 61.01 C ATOM 787 O HIS A 47 -4.374 7.067 2.763 1.00 52.13 O ATOM 788 CB HIS A 47 -4.463 7.420 -0.559 1.00 3.22 C ATOM 789 CG HIS A 47 -4.981 8.759 -0.085 1.00 54.14 C ATOM 790 ND1 HIS A 47 -6.116 8.898 0.685 1.00 0.11 N ATOM 791 CD2 HIS A 47 -4.541 10.021 -0.308 1.00 72.04 C ATOM 792 CE1 HIS A 47 -6.341 10.169 0.917 1.00 65.44 C ATOM 793 NE2 HIS A 47 -5.401 10.871 0.330 1.00 43.30 N ATOM 0 H HIS A 47 -3.515 5.213 -1.081 1.00 25.21 H new ATOM 0 HA HIS A 47 -2.766 7.209 0.774 1.00 42.41 H new ATOM 0 HB2 HIS A 47 -3.846 7.580 -1.443 1.00 3.22 H new ATOM 0 HB3 HIS A 47 -5.312 6.810 -0.869 1.00 3.22 H new ATOM 0 HD2 HIS A 47 -3.672 10.303 -0.883 1.00 72.04 H new ATOM 0 HE1 HIS A 47 -7.161 10.570 1.494 1.00 65.44 H new ATOM 0 HE2 HIS A 47 -5.324 11.888 0.347 1.00 43.30 H new ATOM 802 N THR A 48 -5.302 5.288 1.684 1.00 40.54 N ATOM 803 CA THR A 48 -6.101 4.803 2.824 1.00 75.13 C ATOM 804 C THR A 48 -5.212 4.052 3.858 1.00 4.41 C ATOM 805 O THR A 48 -5.447 4.138 5.054 1.00 43.24 O ATOM 806 CB THR A 48 -7.272 3.879 2.344 1.00 55.44 C ATOM 807 OG1 THR A 48 -8.047 4.546 1.336 1.00 13.52 O ATOM 808 CG2 THR A 48 -8.202 3.457 3.500 1.00 1.52 C ATOM 0 H THR A 48 -5.433 4.743 0.832 1.00 40.54 H new ATOM 0 HA THR A 48 -6.531 5.677 3.313 1.00 75.13 H new ATOM 0 HB THR A 48 -6.815 2.977 1.936 1.00 55.44 H new ATOM 0 HG1 THR A 48 -7.510 4.644 0.522 1.00 13.52 H new ATOM 0 HG21 THR A 48 -8.996 2.818 3.113 1.00 1.52 H new ATOM 0 HG22 THR A 48 -7.628 2.910 4.248 1.00 1.52 H new ATOM 0 HG23 THR A 48 -8.640 4.344 3.957 1.00 1.52 H new ATOM 816 N MET A 49 -4.175 3.325 3.396 1.00 60.54 N ATOM 817 CA MET A 49 -3.197 2.666 4.315 1.00 70.25 C ATOM 818 C MET A 49 -2.402 3.715 5.117 1.00 21.13 C ATOM 819 O MET A 49 -2.041 3.481 6.273 1.00 1.24 O ATOM 820 CB MET A 49 -2.209 1.773 3.532 1.00 22.01 C ATOM 821 CG MET A 49 -2.865 0.663 2.731 1.00 34.10 C ATOM 822 SD MET A 49 -1.681 -0.334 1.817 1.00 34.15 S ATOM 823 CE MET A 49 -2.794 -1.418 0.933 1.00 30.42 C ATOM 0 H MET A 49 -3.985 3.174 2.405 1.00 60.54 H new ATOM 0 HA MET A 49 -3.770 2.044 5.003 1.00 70.25 H new ATOM 0 HB2 MET A 49 -1.630 2.400 2.854 1.00 22.01 H new ATOM 0 HB3 MET A 49 -1.504 1.329 4.235 1.00 22.01 H new ATOM 0 HG2 MET A 49 -3.430 0.020 3.406 1.00 34.10 H new ATOM 0 HG3 MET A 49 -3.580 1.099 2.034 1.00 34.10 H new ATOM 0 HE1 MET A 49 -2.223 -2.045 0.248 1.00 30.42 H new ATOM 0 HE2 MET A 49 -3.328 -2.049 1.643 1.00 30.42 H new ATOM 0 HE3 MET A 49 -3.510 -0.822 0.368 1.00 30.42 H new ATOM 833 N LYS A 50 -2.149 4.867 4.467 1.00 65.41 N ATOM 834 CA LYS A 50 -1.439 6.004 5.063 1.00 1.22 C ATOM 835 C LYS A 50 -2.240 6.584 6.249 1.00 32.22 C ATOM 836 O LYS A 50 -1.711 6.700 7.351 1.00 31.22 O ATOM 837 CB LYS A 50 -1.189 7.105 4.001 1.00 64.04 C ATOM 838 CG LYS A 50 -0.267 8.254 4.474 1.00 13.42 C ATOM 839 CD LYS A 50 -0.145 9.402 3.438 1.00 22.32 C ATOM 840 CE LYS A 50 -1.481 10.137 3.213 1.00 44.35 C ATOM 841 NZ LYS A 50 -1.980 10.787 4.456 1.00 50.13 N ATOM 0 H LYS A 50 -2.437 5.031 3.502 1.00 65.41 H new ATOM 0 HA LYS A 50 -0.477 5.649 5.433 1.00 1.22 H new ATOM 0 HB2 LYS A 50 -0.750 6.645 3.115 1.00 64.04 H new ATOM 0 HB3 LYS A 50 -2.148 7.526 3.700 1.00 64.04 H new ATOM 0 HG2 LYS A 50 -0.651 8.658 5.411 1.00 13.42 H new ATOM 0 HG3 LYS A 50 0.725 7.853 4.682 1.00 13.42 H new ATOM 0 HD2 LYS A 50 0.606 10.115 3.777 1.00 22.32 H new ATOM 0 HD3 LYS A 50 0.207 8.996 2.490 1.00 22.32 H new ATOM 0 HE2 LYS A 50 -1.353 10.891 2.437 1.00 44.35 H new ATOM 0 HE3 LYS A 50 -2.227 9.430 2.850 1.00 44.35 H new ATOM 0 HZ1 LYS A 50 -2.871 11.283 4.254 1.00 50.13 H new ATOM 0 HZ2 LYS A 50 -2.144 10.063 5.185 1.00 50.13 H new ATOM 0 HZ3 LYS A 50 -1.274 11.469 4.799 1.00 50.13 H new ATOM 855 N GLU A 51 -3.533 6.915 6.011 1.00 4.44 N ATOM 856 CA GLU A 51 -4.421 7.464 7.072 1.00 53.12 C ATOM 857 C GLU A 51 -4.546 6.485 8.274 1.00 53.44 C ATOM 858 O GLU A 51 -4.584 6.919 9.421 1.00 70.53 O ATOM 859 CB GLU A 51 -5.841 7.831 6.525 1.00 35.23 C ATOM 860 CG GLU A 51 -6.739 6.630 6.171 1.00 61.43 C ATOM 861 CD GLU A 51 -8.151 6.998 5.695 1.00 32.40 C ATOM 862 OE1 GLU A 51 -9.051 7.170 6.546 1.00 31.10 O ATOM 863 OE2 GLU A 51 -8.372 7.118 4.469 1.00 23.41 O ATOM 0 H GLU A 51 -3.984 6.813 5.102 1.00 4.44 H new ATOM 0 HA GLU A 51 -3.950 8.383 7.420 1.00 53.12 H new ATOM 0 HB2 GLU A 51 -6.353 8.440 7.270 1.00 35.23 H new ATOM 0 HB3 GLU A 51 -5.721 8.449 5.635 1.00 35.23 H new ATOM 0 HG2 GLU A 51 -6.249 6.046 5.392 1.00 61.43 H new ATOM 0 HG3 GLU A 51 -6.823 5.987 7.047 1.00 61.43 H new ATOM 870 N ILE A 52 -4.566 5.161 7.977 1.00 44.44 N ATOM 871 CA ILE A 52 -4.675 4.088 8.999 1.00 14.31 C ATOM 872 C ILE A 52 -3.419 4.028 9.917 1.00 13.04 C ATOM 873 O ILE A 52 -3.547 4.024 11.141 1.00 61.11 O ATOM 874 CB ILE A 52 -4.937 2.681 8.308 1.00 15.55 C ATOM 875 CG1 ILE A 52 -6.358 2.649 7.643 1.00 53.31 C ATOM 876 CG2 ILE A 52 -4.766 1.491 9.292 1.00 34.15 C ATOM 877 CD1 ILE A 52 -6.662 1.390 6.832 1.00 51.51 C ATOM 0 H ILE A 52 -4.507 4.807 7.022 1.00 44.44 H new ATOM 0 HA ILE A 52 -5.528 4.328 9.634 1.00 14.31 H new ATOM 0 HB ILE A 52 -4.179 2.562 7.534 1.00 15.55 H new ATOM 0 HG12 ILE A 52 -7.111 2.750 8.425 1.00 53.31 H new ATOM 0 HG13 ILE A 52 -6.457 3.516 6.990 1.00 53.31 H new ATOM 0 HG21 ILE A 52 -4.957 0.555 8.767 1.00 34.15 H new ATOM 0 HG22 ILE A 52 -3.749 1.487 9.684 1.00 34.15 H new ATOM 0 HG23 ILE A 52 -5.472 1.596 10.116 1.00 34.15 H new ATOM 0 HD11 ILE A 52 -7.665 1.461 6.412 1.00 51.51 H new ATOM 0 HD12 ILE A 52 -5.937 1.294 6.024 1.00 51.51 H new ATOM 0 HD13 ILE A 52 -6.601 0.516 7.480 1.00 51.51 H new ATOM 889 N THR A 53 -2.209 3.984 9.325 1.00 11.14 N ATOM 890 CA THR A 53 -0.949 3.956 10.119 1.00 15.44 C ATOM 891 C THR A 53 -0.727 5.280 10.901 1.00 73.40 C ATOM 892 O THR A 53 -0.134 5.273 11.980 1.00 63.41 O ATOM 893 CB THR A 53 0.316 3.616 9.254 1.00 5.21 C ATOM 894 OG1 THR A 53 1.503 3.707 10.043 1.00 45.12 O ATOM 895 CG2 THR A 53 0.483 4.521 8.035 1.00 70.34 C ATOM 0 H THR A 53 -2.070 3.967 8.315 1.00 11.14 H new ATOM 0 HA THR A 53 -1.076 3.146 10.838 1.00 15.44 H new ATOM 0 HB THR A 53 0.159 2.598 8.898 1.00 5.21 H new ATOM 0 HG1 THR A 53 1.769 4.647 10.127 1.00 45.12 H new ATOM 0 HG21 THR A 53 1.377 4.228 7.484 1.00 70.34 H new ATOM 0 HG22 THR A 53 -0.389 4.425 7.388 1.00 70.34 H new ATOM 0 HG23 THR A 53 0.580 5.556 8.361 1.00 70.34 H new ATOM 903 N GLU A 54 -1.233 6.405 10.358 1.00 13.45 N ATOM 904 CA GLU A 54 -1.176 7.722 11.036 1.00 24.43 C ATOM 905 C GLU A 54 -2.163 7.788 12.236 1.00 13.23 C ATOM 906 O GLU A 54 -1.842 8.390 13.266 1.00 33.51 O ATOM 907 CB GLU A 54 -1.442 8.864 10.023 1.00 32.21 C ATOM 908 CG GLU A 54 -0.357 9.007 8.937 1.00 54.32 C ATOM 909 CD GLU A 54 -0.675 10.085 7.882 1.00 24.02 C ATOM 910 OE1 GLU A 54 -1.704 9.956 7.181 1.00 25.21 O ATOM 911 OE2 GLU A 54 0.098 11.058 7.746 1.00 1.03 O ATOM 0 H GLU A 54 -1.689 6.431 9.446 1.00 13.45 H new ATOM 0 HA GLU A 54 -0.172 7.852 11.440 1.00 24.43 H new ATOM 0 HB2 GLU A 54 -2.404 8.690 9.540 1.00 32.21 H new ATOM 0 HB3 GLU A 54 -1.524 9.805 10.566 1.00 32.21 H new ATOM 0 HG2 GLU A 54 0.593 9.247 9.414 1.00 54.32 H new ATOM 0 HG3 GLU A 54 -0.228 8.048 8.436 1.00 54.32 H new ATOM 918 N THR A 55 -3.352 7.149 12.107 1.00 44.14 N ATOM 919 CA THR A 55 -4.337 7.034 13.227 1.00 10.32 C ATOM 920 C THR A 55 -3.872 6.007 14.289 1.00 14.13 C ATOM 921 O THR A 55 -4.311 6.056 15.439 1.00 33.35 O ATOM 922 CB THR A 55 -5.781 6.645 12.735 1.00 21.04 C ATOM 923 OG1 THR A 55 -5.740 5.431 11.977 1.00 50.23 O ATOM 924 CG2 THR A 55 -6.427 7.760 11.894 1.00 63.20 C ATOM 0 H THR A 55 -3.658 6.704 11.242 1.00 44.14 H new ATOM 0 HA THR A 55 -4.386 8.027 13.674 1.00 10.32 H new ATOM 0 HB THR A 55 -6.394 6.501 13.625 1.00 21.04 H new ATOM 0 HG1 THR A 55 -4.808 5.160 11.844 1.00 50.23 H new ATOM 0 HG21 THR A 55 -7.422 7.447 11.577 1.00 63.20 H new ATOM 0 HG22 THR A 55 -6.506 8.668 12.492 1.00 63.20 H new ATOM 0 HG23 THR A 55 -5.812 7.957 11.016 1.00 63.20 H new ATOM 932 N MET A 56 -2.993 5.068 13.880 1.00 25.45 N ATOM 933 CA MET A 56 -2.318 4.123 14.808 1.00 11.22 C ATOM 934 C MET A 56 -1.034 4.742 15.430 1.00 1.22 C ATOM 935 O MET A 56 -0.418 4.142 16.317 1.00 23.03 O ATOM 936 CB MET A 56 -1.979 2.798 14.072 1.00 21.30 C ATOM 937 CG MET A 56 -3.205 2.005 13.599 1.00 2.21 C ATOM 938 SD MET A 56 -2.764 0.409 12.877 1.00 34.14 S ATOM 939 CE MET A 56 -4.385 -0.276 12.517 1.00 4.43 C ATOM 0 H MET A 56 -2.729 4.940 12.903 1.00 25.45 H new ATOM 0 HA MET A 56 -3.008 3.912 15.625 1.00 11.22 H new ATOM 0 HB2 MET A 56 -1.353 3.026 13.209 1.00 21.30 H new ATOM 0 HB3 MET A 56 -1.388 2.168 14.737 1.00 21.30 H new ATOM 0 HG2 MET A 56 -3.877 1.845 14.442 1.00 2.21 H new ATOM 0 HG3 MET A 56 -3.752 2.594 12.863 1.00 2.21 H new ATOM 0 HE1 MET A 56 -4.292 -1.052 11.757 1.00 4.43 H new ATOM 0 HE2 MET A 56 -4.808 -0.706 13.425 1.00 4.43 H new ATOM 0 HE3 MET A 56 -5.040 0.514 12.150 1.00 4.43 H new ATOM 949 N GLY A 57 -0.635 5.930 14.940 1.00 52.13 N ATOM 950 CA GLY A 57 0.512 6.674 15.491 1.00 63.40 C ATOM 951 C GLY A 57 1.886 6.125 15.084 1.00 4.15 C ATOM 952 O GLY A 57 2.892 6.410 15.741 1.00 70.20 O ATOM 0 H GLY A 57 -1.094 6.398 14.158 1.00 52.13 H new ATOM 0 HA2 GLY A 57 0.441 7.713 15.171 1.00 63.40 H new ATOM 0 HA3 GLY A 57 0.442 6.670 16.579 1.00 63.40 H new ATOM 956 N PHE A 58 1.924 5.323 14.011 1.00 31.12 N ATOM 957 CA PHE A 58 3.167 4.781 13.436 1.00 14.11 C ATOM 958 C PHE A 58 3.775 5.774 12.418 1.00 71.11 C ATOM 959 O PHE A 58 3.289 5.879 11.285 1.00 1.14 O ATOM 960 CB PHE A 58 2.869 3.430 12.747 1.00 11.21 C ATOM 961 CG PHE A 58 2.614 2.253 13.685 1.00 4.15 C ATOM 962 CD1 PHE A 58 3.613 1.800 14.545 1.00 55.14 C ATOM 963 CD2 PHE A 58 1.385 1.596 13.701 1.00 54.53 C ATOM 964 CE1 PHE A 58 3.391 0.730 15.389 1.00 1.44 C ATOM 965 CE2 PHE A 58 1.164 0.528 14.543 1.00 63.52 C ATOM 966 CZ PHE A 58 2.167 0.094 15.389 1.00 44.14 C ATOM 0 H PHE A 58 1.085 5.028 13.511 1.00 31.12 H new ATOM 0 HA PHE A 58 3.890 4.628 14.237 1.00 14.11 H new ATOM 0 HB2 PHE A 58 1.997 3.555 12.104 1.00 11.21 H new ATOM 0 HB3 PHE A 58 3.709 3.180 12.099 1.00 11.21 H new ATOM 0 HD1 PHE A 58 4.574 2.293 14.551 1.00 55.14 H new ATOM 0 HD2 PHE A 58 0.595 1.929 13.044 1.00 54.53 H new ATOM 0 HE1 PHE A 58 4.176 0.391 16.049 1.00 1.44 H new ATOM 0 HE2 PHE A 58 0.206 0.029 14.542 1.00 63.52 H new ATOM 0 HZ PHE A 58 1.993 -0.742 16.050 1.00 44.14 H new ATOM 976 N SER A 59 4.827 6.504 12.836 1.00 5.41 N ATOM 977 CA SER A 59 5.507 7.508 11.976 1.00 43.03 C ATOM 978 C SER A 59 6.428 6.837 10.934 1.00 32.22 C ATOM 979 O SER A 59 6.412 7.209 9.755 1.00 2.42 O ATOM 980 CB SER A 59 6.326 8.498 12.833 1.00 61.54 C ATOM 981 OG SER A 59 5.521 9.113 13.831 1.00 62.42 O ATOM 0 H SER A 59 5.231 6.420 13.769 1.00 5.41 H new ATOM 0 HA SER A 59 4.728 8.053 11.443 1.00 43.03 H new ATOM 0 HB2 SER A 59 7.155 7.972 13.306 1.00 61.54 H new ATOM 0 HB3 SER A 59 6.760 9.264 12.191 1.00 61.54 H new ATOM 0 HG SER A 59 6.069 9.732 14.357 1.00 62.42 H new ATOM 987 N SER A 60 7.229 5.844 11.388 1.00 61.15 N ATOM 988 CA SER A 60 8.166 5.084 10.512 1.00 20.21 C ATOM 989 C SER A 60 7.421 4.337 9.386 1.00 14.42 C ATOM 990 O SER A 60 7.891 4.273 8.246 1.00 44.21 O ATOM 991 CB SER A 60 8.993 4.068 11.339 1.00 11.45 C ATOM 992 OG SER A 60 9.837 4.721 12.275 1.00 44.51 O ATOM 0 H SER A 60 7.248 5.545 12.363 1.00 61.15 H new ATOM 0 HA SER A 60 8.835 5.815 10.058 1.00 20.21 H new ATOM 0 HB2 SER A 60 8.319 3.392 11.865 1.00 11.45 H new ATOM 0 HB3 SER A 60 9.597 3.457 10.668 1.00 11.45 H new ATOM 0 HG SER A 60 10.343 4.052 12.781 1.00 44.51 H new ATOM 998 N VAL A 61 6.251 3.784 9.731 1.00 5.34 N ATOM 999 CA VAL A 61 5.393 3.058 8.777 1.00 32.13 C ATOM 1000 C VAL A 61 4.702 4.049 7.818 1.00 11.54 C ATOM 1001 O VAL A 61 4.682 3.830 6.610 1.00 15.11 O ATOM 1002 CB VAL A 61 4.318 2.196 9.516 1.00 12.34 C ATOM 1003 CG1 VAL A 61 3.558 1.259 8.544 1.00 15.13 C ATOM 1004 CG2 VAL A 61 4.952 1.415 10.683 1.00 14.31 C ATOM 0 H VAL A 61 5.870 3.825 10.676 1.00 5.34 H new ATOM 0 HA VAL A 61 6.031 2.386 8.203 1.00 32.13 H new ATOM 0 HB VAL A 61 3.577 2.878 9.933 1.00 12.34 H new ATOM 0 HG11 VAL A 61 2.821 0.679 9.099 1.00 15.13 H new ATOM 0 HG12 VAL A 61 3.053 1.855 7.784 1.00 15.13 H new ATOM 0 HG13 VAL A 61 4.265 0.583 8.063 1.00 15.13 H new ATOM 0 HG21 VAL A 61 4.186 0.822 11.183 1.00 14.31 H new ATOM 0 HG22 VAL A 61 5.729 0.754 10.299 1.00 14.31 H new ATOM 0 HG23 VAL A 61 5.390 2.115 11.394 1.00 14.31 H new ATOM 1014 N ALA A 62 4.170 5.164 8.379 1.00 64.14 N ATOM 1015 CA ALA A 62 3.572 6.267 7.577 1.00 72.13 C ATOM 1016 C ALA A 62 4.545 6.791 6.510 1.00 31.11 C ATOM 1017 O ALA A 62 4.120 7.184 5.433 1.00 51.35 O ATOM 1018 CB ALA A 62 3.113 7.428 8.472 1.00 22.22 C ATOM 0 H ALA A 62 4.142 5.325 9.386 1.00 64.14 H new ATOM 0 HA ALA A 62 2.702 5.846 7.073 1.00 72.13 H new ATOM 0 HB1 ALA A 62 2.682 8.215 7.854 1.00 22.22 H new ATOM 0 HB2 ALA A 62 2.364 7.069 9.178 1.00 22.22 H new ATOM 0 HB3 ALA A 62 3.967 7.824 9.020 1.00 22.22 H new ATOM 1024 N LYS A 63 5.851 6.774 6.841 1.00 40.42 N ATOM 1025 CA LYS A 63 6.937 7.153 5.917 1.00 41.21 C ATOM 1026 C LYS A 63 7.046 6.158 4.733 1.00 41.11 C ATOM 1027 O LYS A 63 7.196 6.574 3.585 1.00 43.24 O ATOM 1028 CB LYS A 63 8.282 7.221 6.686 1.00 54.54 C ATOM 1029 CG LYS A 63 9.474 7.730 5.845 1.00 31.33 C ATOM 1030 CD LYS A 63 10.818 7.672 6.610 1.00 23.43 C ATOM 1031 CE LYS A 63 11.997 8.195 5.768 1.00 62.15 C ATOM 1032 NZ LYS A 63 12.129 7.471 4.475 1.00 54.00 N ATOM 0 H LYS A 63 6.184 6.495 7.764 1.00 40.42 H new ATOM 0 HA LYS A 63 6.705 8.135 5.505 1.00 41.21 H new ATOM 0 HB2 LYS A 63 8.159 7.873 7.551 1.00 54.54 H new ATOM 0 HB3 LYS A 63 8.520 6.228 7.066 1.00 54.54 H new ATOM 0 HG2 LYS A 63 9.553 7.133 4.936 1.00 31.33 H new ATOM 0 HG3 LYS A 63 9.282 8.757 5.536 1.00 31.33 H new ATOM 0 HD2 LYS A 63 10.738 8.261 7.524 1.00 23.43 H new ATOM 0 HD3 LYS A 63 11.018 6.643 6.910 1.00 23.43 H new ATOM 0 HE2 LYS A 63 11.859 9.259 5.574 1.00 62.15 H new ATOM 0 HE3 LYS A 63 12.921 8.092 6.336 1.00 62.15 H new ATOM 0 HZ1 LYS A 63 13.026 7.734 4.020 1.00 54.00 H new ATOM 0 HZ2 LYS A 63 12.117 6.446 4.648 1.00 54.00 H new ATOM 0 HZ3 LYS A 63 11.337 7.726 3.852 1.00 54.00 H new ATOM 1046 N VAL A 64 6.951 4.845 5.035 1.00 12.12 N ATOM 1047 CA VAL A 64 6.990 3.765 4.015 1.00 43.13 C ATOM 1048 C VAL A 64 5.810 3.885 3.015 1.00 52.13 C ATOM 1049 O VAL A 64 5.999 3.785 1.805 1.00 24.11 O ATOM 1050 CB VAL A 64 6.985 2.339 4.685 1.00 51.51 C ATOM 1051 CG1 VAL A 64 6.966 1.201 3.633 1.00 30.22 C ATOM 1052 CG2 VAL A 64 8.188 2.176 5.643 1.00 70.32 C ATOM 0 H VAL A 64 6.845 4.501 5.989 1.00 12.12 H new ATOM 0 HA VAL A 64 7.923 3.884 3.464 1.00 43.13 H new ATOM 0 HB VAL A 64 6.065 2.261 5.265 1.00 51.51 H new ATOM 0 HG11 VAL A 64 6.963 0.236 4.141 1.00 30.22 H new ATOM 0 HG12 VAL A 64 6.071 1.290 3.017 1.00 30.22 H new ATOM 0 HG13 VAL A 64 7.851 1.276 3.000 1.00 30.22 H new ATOM 0 HG21 VAL A 64 8.163 1.184 6.093 1.00 70.32 H new ATOM 0 HG22 VAL A 64 9.116 2.298 5.085 1.00 70.32 H new ATOM 0 HG23 VAL A 64 8.134 2.932 6.427 1.00 70.32 H new ATOM 1062 N LEU A 65 4.600 4.125 3.538 1.00 73.12 N ATOM 1063 CA LEU A 65 3.399 4.375 2.699 1.00 74.32 C ATOM 1064 C LEU A 65 3.530 5.708 1.932 1.00 32.42 C ATOM 1065 O LEU A 65 3.102 5.816 0.786 1.00 72.03 O ATOM 1066 CB LEU A 65 2.092 4.365 3.555 1.00 24.51 C ATOM 1067 CG LEU A 65 1.588 2.967 4.036 1.00 65.24 C ATOM 1068 CD1 LEU A 65 1.301 2.038 2.838 1.00 34.01 C ATOM 1069 CD2 LEU A 65 2.570 2.311 5.015 1.00 24.51 C ATOM 0 H LEU A 65 4.417 4.153 4.541 1.00 73.12 H new ATOM 0 HA LEU A 65 3.333 3.564 1.974 1.00 74.32 H new ATOM 0 HB2 LEU A 65 2.254 4.991 4.433 1.00 24.51 H new ATOM 0 HB3 LEU A 65 1.298 4.832 2.972 1.00 24.51 H new ATOM 0 HG LEU A 65 0.653 3.129 4.573 1.00 65.24 H new ATOM 0 HD11 LEU A 65 0.952 1.072 3.202 1.00 34.01 H new ATOM 0 HD12 LEU A 65 0.535 2.486 2.206 1.00 34.01 H new ATOM 0 HD13 LEU A 65 2.214 1.899 2.259 1.00 34.01 H new ATOM 0 HD21 LEU A 65 2.181 1.341 5.325 1.00 24.51 H new ATOM 0 HD22 LEU A 65 3.535 2.176 4.527 1.00 24.51 H new ATOM 0 HD23 LEU A 65 2.692 2.949 5.890 1.00 24.51 H new ATOM 1081 N HIS A 66 4.164 6.699 2.581 1.00 14.45 N ATOM 1082 CA HIS A 66 4.413 8.032 2.003 1.00 51.43 C ATOM 1083 C HIS A 66 5.387 7.950 0.794 1.00 4.34 C ATOM 1084 O HIS A 66 5.325 8.789 -0.120 1.00 24.34 O ATOM 1085 CB HIS A 66 4.948 8.982 3.102 1.00 41.42 C ATOM 1086 CG HIS A 66 4.903 10.444 2.769 1.00 64.52 C ATOM 1087 ND1 HIS A 66 5.961 11.131 2.219 1.00 34.11 N ATOM 1088 CD2 HIS A 66 3.910 11.352 2.927 1.00 12.24 C ATOM 1089 CE1 HIS A 66 5.630 12.392 2.061 1.00 12.12 C ATOM 1090 NE2 HIS A 66 4.394 12.554 2.480 1.00 14.33 N ATOM 0 H HIS A 66 4.522 6.597 3.531 1.00 14.45 H new ATOM 0 HA HIS A 66 3.473 8.434 1.624 1.00 51.43 H new ATOM 0 HB2 HIS A 66 4.372 8.817 4.013 1.00 41.42 H new ATOM 0 HB3 HIS A 66 5.980 8.709 3.323 1.00 41.42 H new ATOM 0 HD2 HIS A 66 2.925 11.165 3.329 1.00 12.24 H new ATOM 0 HE1 HIS A 66 6.265 13.165 1.655 1.00 12.12 H new ATOM 0 HE2 HIS A 66 3.878 13.434 2.473 1.00 14.33 H new ATOM 1099 N THR A 67 6.293 6.930 0.792 1.00 22.32 N ATOM 1100 CA THR A 67 7.204 6.701 -0.370 1.00 21.42 C ATOM 1101 C THR A 67 6.410 6.149 -1.565 1.00 15.32 C ATOM 1102 O THR A 67 6.674 6.528 -2.702 1.00 2.34 O ATOM 1103 CB THR A 67 8.412 5.726 -0.099 1.00 11.34 C ATOM 1104 OG1 THR A 67 7.971 4.366 0.014 1.00 61.24 O ATOM 1105 CG2 THR A 67 9.195 6.093 1.160 1.00 51.01 C ATOM 0 H THR A 67 6.411 6.269 1.560 1.00 22.32 H new ATOM 0 HA THR A 67 7.632 7.682 -0.575 1.00 21.42 H new ATOM 0 HB THR A 67 9.073 5.831 -0.959 1.00 11.34 H new ATOM 0 HG1 THR A 67 7.323 4.292 0.746 1.00 61.24 H new ATOM 0 HG21 THR A 67 10.015 5.388 1.297 1.00 51.01 H new ATOM 0 HG22 THR A 67 9.597 7.101 1.058 1.00 51.01 H new ATOM 0 HG23 THR A 67 8.533 6.052 2.025 1.00 51.01 H new ATOM 1113 N ILE A 68 5.422 5.267 -1.282 1.00 54.02 N ATOM 1114 CA ILE A 68 4.577 4.634 -2.325 1.00 55.01 C ATOM 1115 C ILE A 68 3.640 5.683 -2.975 1.00 74.13 C ATOM 1116 O ILE A 68 3.428 5.678 -4.187 1.00 42.14 O ATOM 1117 CB ILE A 68 3.708 3.447 -1.752 1.00 25.02 C ATOM 1118 CG1 ILE A 68 4.538 2.508 -0.813 1.00 21.22 C ATOM 1119 CG2 ILE A 68 3.045 2.637 -2.896 1.00 72.35 C ATOM 1120 CD1 ILE A 68 5.833 1.981 -1.398 1.00 64.14 C ATOM 0 H ILE A 68 5.189 4.976 -0.333 1.00 54.02 H new ATOM 0 HA ILE A 68 5.256 4.226 -3.074 1.00 55.01 H new ATOM 0 HB ILE A 68 2.919 3.894 -1.147 1.00 25.02 H new ATOM 0 HG12 ILE A 68 4.768 3.051 0.104 1.00 21.22 H new ATOM 0 HG13 ILE A 68 3.914 1.659 -0.533 1.00 21.22 H new ATOM 0 HG21 ILE A 68 2.453 1.826 -2.472 1.00 72.35 H new ATOM 0 HG22 ILE A 68 2.398 3.293 -3.478 1.00 72.35 H new ATOM 0 HG23 ILE A 68 3.818 2.222 -3.543 1.00 72.35 H new ATOM 0 HD11 ILE A 68 6.329 1.342 -0.667 1.00 64.14 H new ATOM 0 HD12 ILE A 68 5.618 1.404 -2.297 1.00 64.14 H new ATOM 0 HD13 ILE A 68 6.485 2.817 -1.651 1.00 64.14 H new ATOM 1132 N MET A 69 3.095 6.578 -2.124 1.00 34.12 N ATOM 1133 CA MET A 69 2.300 7.761 -2.551 1.00 42.34 C ATOM 1134 C MET A 69 3.064 8.583 -3.618 1.00 31.10 C ATOM 1135 O MET A 69 2.547 8.871 -4.695 1.00 51.14 O ATOM 1136 CB MET A 69 2.009 8.661 -1.315 1.00 54.10 C ATOM 1137 CG MET A 69 1.098 8.031 -0.254 1.00 24.50 C ATOM 1138 SD MET A 69 -0.634 7.972 -0.755 1.00 32.42 S ATOM 1139 CE MET A 69 -1.019 9.722 -0.865 1.00 14.53 C ATOM 0 H MET A 69 3.192 6.504 -1.111 1.00 34.12 H new ATOM 0 HA MET A 69 1.364 7.412 -2.987 1.00 42.34 H new ATOM 0 HB2 MET A 69 2.957 8.927 -0.847 1.00 54.10 H new ATOM 0 HB3 MET A 69 1.552 9.589 -1.660 1.00 54.10 H new ATOM 0 HG2 MET A 69 1.443 7.019 -0.041 1.00 24.50 H new ATOM 0 HG3 MET A 69 1.183 8.598 0.673 1.00 24.50 H new ATOM 0 HE1 MET A 69 -1.722 9.990 -0.076 1.00 14.53 H new ATOM 0 HE2 MET A 69 -0.105 10.304 -0.749 1.00 14.53 H new ATOM 0 HE3 MET A 69 -1.465 9.936 -1.836 1.00 14.53 H new ATOM 1149 N ASN A 70 4.322 8.893 -3.288 1.00 54.31 N ATOM 1150 CA ASN A 70 5.255 9.646 -4.156 1.00 31.00 C ATOM 1151 C ASN A 70 5.619 8.856 -5.445 1.00 62.24 C ATOM 1152 O ASN A 70 5.715 9.420 -6.545 1.00 10.40 O ATOM 1153 CB ASN A 70 6.535 9.934 -3.334 1.00 2.04 C ATOM 1154 CG ASN A 70 7.545 10.815 -4.061 1.00 25.45 C ATOM 1155 OD1 ASN A 70 8.416 10.328 -4.775 1.00 55.22 O ATOM 1156 ND2 ASN A 70 7.438 12.116 -3.890 1.00 1.31 N ATOM 0 H ASN A 70 4.735 8.626 -2.395 1.00 54.31 H new ATOM 0 HA ASN A 70 4.776 10.571 -4.477 1.00 31.00 H new ATOM 0 HB2 ASN A 70 6.254 10.416 -2.397 1.00 2.04 H new ATOM 0 HB3 ASN A 70 7.011 8.988 -3.076 1.00 2.04 H new ATOM 0 HD21 ASN A 70 8.089 12.747 -4.357 1.00 1.31 H new ATOM 0 HD22 ASN A 70 6.704 12.493 -3.290 1.00 1.31 H new ATOM 1163 N LEU A 71 5.808 7.544 -5.265 1.00 12.22 N ATOM 1164 CA LEU A 71 6.321 6.622 -6.295 1.00 32.03 C ATOM 1165 C LEU A 71 5.305 6.464 -7.459 1.00 22.13 C ATOM 1166 O LEU A 71 5.638 6.700 -8.632 1.00 41.14 O ATOM 1167 CB LEU A 71 6.648 5.259 -5.597 1.00 31.30 C ATOM 1168 CG LEU A 71 7.578 4.249 -6.346 1.00 44.15 C ATOM 1169 CD1 LEU A 71 8.148 3.181 -5.373 1.00 21.20 C ATOM 1170 CD2 LEU A 71 6.854 3.562 -7.524 1.00 1.34 C ATOM 0 H LEU A 71 5.605 7.079 -4.380 1.00 12.22 H new ATOM 0 HA LEU A 71 7.230 7.019 -6.747 1.00 32.03 H new ATOM 0 HB2 LEU A 71 7.105 5.480 -4.633 1.00 31.30 H new ATOM 0 HB3 LEU A 71 5.704 4.754 -5.394 1.00 31.30 H new ATOM 0 HG LEU A 71 8.407 4.828 -6.753 1.00 44.15 H new ATOM 0 HD11 LEU A 71 8.790 2.494 -5.923 1.00 21.20 H new ATOM 0 HD12 LEU A 71 8.728 3.673 -4.592 1.00 21.20 H new ATOM 0 HD13 LEU A 71 7.326 2.626 -4.920 1.00 21.20 H new ATOM 0 HD21 LEU A 71 7.536 2.869 -8.016 1.00 1.34 H new ATOM 0 HD22 LEU A 71 5.989 3.015 -7.150 1.00 1.34 H new ATOM 0 HD23 LEU A 71 6.525 4.316 -8.239 1.00 1.34 H new ATOM 1182 N VAL A 72 4.073 6.066 -7.107 1.00 41.53 N ATOM 1183 CA VAL A 72 2.977 5.835 -8.077 1.00 74.12 C ATOM 1184 C VAL A 72 2.567 7.158 -8.783 1.00 51.45 C ATOM 1185 O VAL A 72 2.295 7.174 -9.994 1.00 53.11 O ATOM 1186 CB VAL A 72 1.722 5.196 -7.371 1.00 10.14 C ATOM 1187 CG1 VAL A 72 0.622 4.848 -8.398 1.00 54.22 C ATOM 1188 CG2 VAL A 72 2.111 3.945 -6.540 1.00 71.13 C ATOM 0 H VAL A 72 3.802 5.893 -6.139 1.00 41.53 H new ATOM 0 HA VAL A 72 3.349 5.138 -8.829 1.00 74.12 H new ATOM 0 HB VAL A 72 1.323 5.942 -6.683 1.00 10.14 H new ATOM 0 HG11 VAL A 72 -0.232 4.409 -7.882 1.00 54.22 H new ATOM 0 HG12 VAL A 72 0.307 5.755 -8.915 1.00 54.22 H new ATOM 0 HG13 VAL A 72 1.014 4.135 -9.123 1.00 54.22 H new ATOM 0 HG21 VAL A 72 1.220 3.531 -6.067 1.00 71.13 H new ATOM 0 HG22 VAL A 72 2.555 3.196 -7.196 1.00 71.13 H new ATOM 0 HG23 VAL A 72 2.831 4.228 -5.772 1.00 71.13 H new ATOM 1198 N ASP A 73 2.565 8.256 -7.996 1.00 64.13 N ATOM 1199 CA ASP A 73 2.270 9.634 -8.470 1.00 5.42 C ATOM 1200 C ASP A 73 3.194 10.048 -9.648 1.00 20.52 C ATOM 1201 O ASP A 73 2.747 10.637 -10.641 1.00 0.53 O ATOM 1202 CB ASP A 73 2.448 10.618 -7.280 1.00 20.43 C ATOM 1203 CG ASP A 73 2.014 12.060 -7.580 1.00 74.43 C ATOM 1204 OD1 ASP A 73 0.792 12.332 -7.593 1.00 2.23 O ATOM 1205 OD2 ASP A 73 2.885 12.932 -7.795 1.00 0.22 O ATOM 0 H ASP A 73 2.771 8.214 -6.998 1.00 64.13 H new ATOM 0 HA ASP A 73 1.245 9.665 -8.838 1.00 5.42 H new ATOM 0 HB2 ASP A 73 1.875 10.248 -6.430 1.00 20.43 H new ATOM 0 HB3 ASP A 73 3.496 10.622 -6.981 1.00 20.43 H new ATOM 1210 N LYS A 74 4.489 9.718 -9.514 1.00 11.00 N ATOM 1211 CA LYS A 74 5.528 10.088 -10.502 1.00 51.40 C ATOM 1212 C LYS A 74 5.485 9.208 -11.773 1.00 20.40 C ATOM 1213 O LYS A 74 5.783 9.688 -12.861 1.00 11.22 O ATOM 1214 CB LYS A 74 6.947 10.098 -9.824 1.00 54.02 C ATOM 1215 CG LYS A 74 7.446 11.523 -9.460 1.00 20.15 C ATOM 1216 CD LYS A 74 6.476 12.279 -8.502 1.00 71.01 C ATOM 1217 CE LYS A 74 6.682 13.805 -8.502 1.00 52.25 C ATOM 1218 NZ LYS A 74 8.020 14.213 -8.007 1.00 63.32 N ATOM 0 H LYS A 74 4.850 9.188 -8.721 1.00 11.00 H new ATOM 0 HA LYS A 74 5.313 11.100 -10.846 1.00 51.40 H new ATOM 0 HB2 LYS A 74 6.914 9.491 -8.920 1.00 54.02 H new ATOM 0 HB3 LYS A 74 7.666 9.630 -10.496 1.00 54.02 H new ATOM 0 HG2 LYS A 74 8.428 11.450 -8.992 1.00 20.15 H new ATOM 0 HG3 LYS A 74 7.571 12.103 -10.374 1.00 20.15 H new ATOM 0 HD2 LYS A 74 5.448 12.059 -8.790 1.00 71.01 H new ATOM 0 HD3 LYS A 74 6.611 11.902 -7.488 1.00 71.01 H new ATOM 0 HE2 LYS A 74 6.545 14.184 -9.515 1.00 52.25 H new ATOM 0 HE3 LYS A 74 5.915 14.269 -7.882 1.00 52.25 H new ATOM 0 HZ1 LYS A 74 8.098 15.250 -8.031 1.00 63.32 H new ATOM 0 HZ2 LYS A 74 8.145 13.879 -7.030 1.00 63.32 H new ATOM 0 HZ3 LYS A 74 8.756 13.797 -8.612 1.00 63.32 H new ATOM 1232 N MET A 75 5.110 7.932 -11.631 1.00 42.13 N ATOM 1233 CA MET A 75 4.972 7.010 -12.786 1.00 12.44 C ATOM 1234 C MET A 75 3.700 7.312 -13.623 1.00 2.31 C ATOM 1235 O MET A 75 3.669 7.033 -14.830 1.00 64.13 O ATOM 1236 CB MET A 75 4.990 5.533 -12.327 1.00 5.25 C ATOM 1237 CG MET A 75 6.298 5.102 -11.637 1.00 62.44 C ATOM 1238 SD MET A 75 6.445 3.311 -11.437 1.00 54.44 S ATOM 1239 CE MET A 75 4.947 2.898 -10.551 1.00 21.23 C ATOM 0 H MET A 75 4.894 7.505 -10.730 1.00 42.13 H new ATOM 0 HA MET A 75 5.834 7.178 -13.432 1.00 12.44 H new ATOM 0 HB2 MET A 75 4.159 5.367 -11.641 1.00 5.25 H new ATOM 0 HB3 MET A 75 4.821 4.893 -13.193 1.00 5.25 H new ATOM 0 HG2 MET A 75 7.145 5.466 -12.219 1.00 62.44 H new ATOM 0 HG3 MET A 75 6.357 5.576 -10.657 1.00 62.44 H new ATOM 0 HE1 MET A 75 5.099 1.976 -9.990 1.00 21.23 H new ATOM 0 HE2 MET A 75 4.697 3.705 -9.862 1.00 21.23 H new ATOM 0 HE3 MET A 75 4.131 2.761 -11.260 1.00 21.23 H new ATOM 1249 N LEU A 76 2.652 7.846 -12.950 1.00 22.31 N ATOM 1250 CA LEU A 76 1.320 8.171 -13.552 1.00 64.22 C ATOM 1251 C LEU A 76 1.431 8.995 -14.865 1.00 70.14 C ATOM 1252 O LEU A 76 0.679 8.774 -15.822 1.00 70.44 O ATOM 1253 CB LEU A 76 0.483 8.961 -12.503 1.00 20.25 C ATOM 1254 CG LEU A 76 -1.003 9.280 -12.873 1.00 33.13 C ATOM 1255 CD1 LEU A 76 -1.830 7.989 -13.061 1.00 41.33 C ATOM 1256 CD2 LEU A 76 -1.651 10.217 -11.823 1.00 31.34 C ATOM 0 H LEU A 76 2.702 8.070 -11.956 1.00 22.31 H new ATOM 0 HA LEU A 76 0.835 7.231 -13.816 1.00 64.22 H new ATOM 0 HB2 LEU A 76 0.486 8.395 -11.572 1.00 20.25 H new ATOM 0 HB3 LEU A 76 0.992 9.904 -12.304 1.00 20.25 H new ATOM 0 HG LEU A 76 -0.999 9.804 -13.829 1.00 33.13 H new ATOM 0 HD11 LEU A 76 -2.857 8.249 -13.317 1.00 41.33 H new ATOM 0 HD12 LEU A 76 -1.396 7.392 -13.863 1.00 41.33 H new ATOM 0 HD13 LEU A 76 -1.822 7.413 -12.135 1.00 41.33 H new ATOM 0 HD21 LEU A 76 -2.684 10.422 -12.106 1.00 31.34 H new ATOM 0 HD22 LEU A 76 -1.631 9.736 -10.845 1.00 31.34 H new ATOM 0 HD23 LEU A 76 -1.095 11.153 -11.778 1.00 31.34 H new ATOM 1268 N ASN A 77 2.376 9.941 -14.880 1.00 34.14 N ATOM 1269 CA ASN A 77 2.687 10.770 -16.075 1.00 21.43 C ATOM 1270 C ASN A 77 3.579 9.998 -17.072 1.00 55.40 C ATOM 1271 O ASN A 77 4.529 9.313 -16.667 1.00 51.25 O ATOM 1272 CB ASN A 77 3.343 12.131 -15.671 1.00 71.33 C ATOM 1273 CG ASN A 77 4.202 12.056 -14.408 1.00 73.42 C ATOM 1274 OD1 ASN A 77 5.410 11.913 -14.457 1.00 32.41 O ATOM 1275 ND2 ASN A 77 3.573 12.122 -13.255 1.00 55.55 N ATOM 0 H ASN A 77 2.954 10.162 -14.069 1.00 34.14 H new ATOM 0 HA ASN A 77 1.744 10.994 -16.573 1.00 21.43 H new ATOM 0 HB2 ASN A 77 3.960 12.485 -16.497 1.00 71.33 H new ATOM 0 HB3 ASN A 77 2.557 12.871 -15.520 1.00 71.33 H new ATOM 0 HD21 ASN A 77 4.098 12.053 -12.383 1.00 55.55 H new ATOM 0 HD22 ASN A 77 2.560 12.242 -13.233 1.00 55.55 H new ATOM 1282 N SER A 78 3.261 10.131 -18.379 1.00 62.31 N ATOM 1283 CA SER A 78 4.029 9.500 -19.476 1.00 44.34 C ATOM 1284 C SER A 78 5.352 10.269 -19.726 1.00 10.11 C ATOM 1285 O SER A 78 5.484 11.048 -20.682 1.00 75.44 O ATOM 1286 CB SER A 78 3.176 9.413 -20.767 1.00 65.33 C ATOM 1287 OG SER A 78 3.855 8.699 -21.799 1.00 64.32 O ATOM 0 H SER A 78 2.464 10.679 -18.703 1.00 62.31 H new ATOM 0 HA SER A 78 4.283 8.483 -19.179 1.00 44.34 H new ATOM 0 HB2 SER A 78 2.229 8.920 -20.546 1.00 65.33 H new ATOM 0 HB3 SER A 78 2.939 10.418 -21.115 1.00 65.33 H new ATOM 0 HG SER A 78 3.289 8.662 -22.598 1.00 64.32 H new ATOM 1293 N GLU A 79 6.296 10.074 -18.792 1.00 45.43 N ATOM 1294 CA GLU A 79 7.639 10.695 -18.815 1.00 34.31 C ATOM 1295 C GLU A 79 8.610 9.880 -17.914 1.00 34.13 C ATOM 1296 O GLU A 79 9.804 9.766 -18.207 1.00 23.21 O ATOM 1297 CB GLU A 79 7.573 12.191 -18.355 1.00 12.11 C ATOM 1298 CG GLU A 79 7.308 12.405 -16.854 1.00 73.04 C ATOM 1299 CD GLU A 79 7.418 13.865 -16.404 1.00 35.13 C ATOM 1300 OE1 GLU A 79 8.555 14.338 -16.187 1.00 24.14 O ATOM 1301 OE2 GLU A 79 6.379 14.555 -16.269 1.00 23.01 O ATOM 0 H GLU A 79 6.149 9.470 -17.983 1.00 45.43 H new ATOM 0 HA GLU A 79 8.014 10.682 -19.838 1.00 34.31 H new ATOM 0 HB2 GLU A 79 8.514 12.676 -18.614 1.00 12.11 H new ATOM 0 HB3 GLU A 79 6.789 12.694 -18.921 1.00 12.11 H new ATOM 0 HG2 GLU A 79 6.310 12.036 -16.615 1.00 73.04 H new ATOM 0 HG3 GLU A 79 8.015 11.805 -16.281 1.00 73.04 H new ATOM 1308 N ILE A 80 8.076 9.347 -16.791 1.00 44.00 N ATOM 1309 CA ILE A 80 8.797 8.429 -15.884 1.00 2.11 C ATOM 1310 C ILE A 80 8.249 7.003 -16.086 1.00 43.44 C ATOM 1311 O ILE A 80 7.113 6.703 -15.689 1.00 3.21 O ATOM 1312 CB ILE A 80 8.629 8.855 -14.372 1.00 52.11 C ATOM 1313 CG1 ILE A 80 9.149 10.317 -14.145 1.00 0.24 C ATOM 1314 CG2 ILE A 80 9.331 7.850 -13.413 1.00 11.41 C ATOM 1315 CD1 ILE A 80 8.938 10.869 -12.757 1.00 5.44 C ATOM 0 H ILE A 80 7.123 9.545 -16.487 1.00 44.00 H new ATOM 0 HA ILE A 80 9.860 8.468 -16.122 1.00 2.11 H new ATOM 0 HB ILE A 80 7.565 8.835 -14.137 1.00 52.11 H new ATOM 0 HG12 ILE A 80 10.215 10.345 -14.371 1.00 0.24 H new ATOM 0 HG13 ILE A 80 8.655 10.976 -14.859 1.00 0.24 H new ATOM 0 HG21 ILE A 80 9.194 8.175 -12.382 1.00 11.41 H new ATOM 0 HG22 ILE A 80 8.895 6.859 -13.542 1.00 11.41 H new ATOM 0 HG23 ILE A 80 10.396 7.811 -13.643 1.00 11.41 H new ATOM 0 HD11 ILE A 80 9.332 11.884 -12.705 1.00 5.44 H new ATOM 0 HD12 ILE A 80 7.872 10.881 -12.529 1.00 5.44 H new ATOM 0 HD13 ILE A 80 9.457 10.241 -12.033 1.00 5.44 H new ATOM 1327 N LYS A 81 9.053 6.142 -16.732 1.00 73.03 N ATOM 1328 CA LYS A 81 8.643 4.761 -17.072 1.00 41.20 C ATOM 1329 C LYS A 81 8.400 3.899 -15.814 1.00 42.52 C ATOM 1330 O LYS A 81 9.058 4.076 -14.778 1.00 51.22 O ATOM 1331 CB LYS A 81 9.708 4.074 -17.963 1.00 60.34 C ATOM 1332 CG LYS A 81 9.896 4.698 -19.364 1.00 61.12 C ATOM 1333 CD LYS A 81 10.964 3.949 -20.200 1.00 25.04 C ATOM 1334 CE LYS A 81 10.622 2.457 -20.414 1.00 71.25 C ATOM 1335 NZ LYS A 81 11.652 1.751 -21.222 1.00 23.22 N ATOM 0 H LYS A 81 9.999 6.377 -17.033 1.00 73.03 H new ATOM 0 HA LYS A 81 7.703 4.841 -17.618 1.00 41.20 H new ATOM 0 HB2 LYS A 81 10.665 4.097 -17.441 1.00 60.34 H new ATOM 0 HB3 LYS A 81 9.436 3.025 -18.083 1.00 60.34 H new ATOM 0 HG2 LYS A 81 8.945 4.684 -19.896 1.00 61.12 H new ATOM 0 HG3 LYS A 81 10.187 5.743 -19.258 1.00 61.12 H new ATOM 0 HD2 LYS A 81 11.066 4.436 -21.170 1.00 25.04 H new ATOM 0 HD3 LYS A 81 11.930 4.027 -19.701 1.00 25.04 H new ATOM 0 HE2 LYS A 81 10.524 1.967 -19.445 1.00 71.25 H new ATOM 0 HE3 LYS A 81 9.655 2.376 -20.911 1.00 71.25 H new ATOM 0 HZ1 LYS A 81 11.379 0.754 -21.338 1.00 23.22 H new ATOM 0 HZ2 LYS A 81 11.728 2.201 -22.157 1.00 23.22 H new ATOM 0 HZ3 LYS A 81 12.570 1.804 -20.737 1.00 23.22 H new ATOM 1349 N ILE A 82 7.461 2.946 -15.932 1.00 71.33 N ATOM 1350 CA ILE A 82 7.130 2.017 -14.845 1.00 50.31 C ATOM 1351 C ILE A 82 8.116 0.835 -14.887 1.00 11.55 C ATOM 1352 O ILE A 82 7.886 -0.186 -15.553 1.00 15.13 O ATOM 1353 CB ILE A 82 5.629 1.514 -14.894 1.00 11.30 C ATOM 1354 CG1 ILE A 82 4.603 2.700 -14.934 1.00 2.25 C ATOM 1355 CG2 ILE A 82 5.316 0.594 -13.689 1.00 32.33 C ATOM 1356 CD1 ILE A 82 4.444 3.400 -16.274 1.00 31.05 C ATOM 0 H ILE A 82 6.914 2.800 -16.780 1.00 71.33 H new ATOM 0 HA ILE A 82 7.227 2.552 -13.900 1.00 50.31 H new ATOM 0 HB ILE A 82 5.521 0.948 -15.819 1.00 11.30 H new ATOM 0 HG12 ILE A 82 3.628 2.321 -14.627 1.00 2.25 H new ATOM 0 HG13 ILE A 82 4.905 3.441 -14.193 1.00 2.25 H new ATOM 0 HG21 ILE A 82 4.279 0.261 -13.745 1.00 32.33 H new ATOM 0 HG22 ILE A 82 5.977 -0.273 -13.711 1.00 32.33 H new ATOM 0 HG23 ILE A 82 5.471 1.144 -12.761 1.00 32.33 H new ATOM 0 HD11 ILE A 82 3.710 4.201 -16.181 1.00 31.05 H new ATOM 0 HD12 ILE A 82 5.402 3.819 -16.581 1.00 31.05 H new ATOM 0 HD13 ILE A 82 4.105 2.683 -17.021 1.00 31.05 H new ATOM 1368 N THR A 83 9.260 1.048 -14.222 1.00 32.30 N ATOM 1369 CA THR A 83 10.347 0.064 -14.137 1.00 51.13 C ATOM 1370 C THR A 83 9.909 -1.159 -13.297 1.00 51.21 C ATOM 1371 O THR A 83 9.384 -0.980 -12.208 1.00 3.24 O ATOM 1372 CB THR A 83 11.631 0.719 -13.508 1.00 30.21 C ATOM 1373 OG1 THR A 83 12.067 1.829 -14.312 1.00 54.34 O ATOM 1374 CG2 THR A 83 12.793 -0.280 -13.354 1.00 75.41 C ATOM 0 H THR A 83 9.458 1.916 -13.724 1.00 32.30 H new ATOM 0 HA THR A 83 10.583 -0.273 -15.146 1.00 51.13 H new ATOM 0 HB THR A 83 11.351 1.059 -12.511 1.00 30.21 H new ATOM 0 HG1 THR A 83 12.866 2.230 -13.910 1.00 54.34 H new ATOM 0 HG21 THR A 83 13.653 0.227 -12.915 1.00 75.41 H new ATOM 0 HG22 THR A 83 12.485 -1.100 -12.705 1.00 75.41 H new ATOM 0 HG23 THR A 83 13.065 -0.675 -14.333 1.00 75.41 H new ATOM 1382 N SER A 84 10.135 -2.388 -13.808 1.00 24.33 N ATOM 1383 CA SER A 84 9.732 -3.646 -13.112 1.00 14.12 C ATOM 1384 C SER A 84 10.427 -3.803 -11.733 1.00 2.03 C ATOM 1385 O SER A 84 9.820 -4.284 -10.771 1.00 13.01 O ATOM 1386 CB SER A 84 10.018 -4.877 -13.996 1.00 51.14 C ATOM 1387 OG SER A 84 9.623 -6.081 -13.354 1.00 43.02 O ATOM 0 H SER A 84 10.596 -2.544 -14.704 1.00 24.33 H new ATOM 0 HA SER A 84 8.659 -3.579 -12.933 1.00 14.12 H new ATOM 0 HB2 SER A 84 9.488 -4.777 -14.943 1.00 51.14 H new ATOM 0 HB3 SER A 84 11.082 -4.920 -14.229 1.00 51.14 H new ATOM 0 HG SER A 84 9.816 -6.843 -13.940 1.00 43.02 H new ATOM 1393 N ASP A 85 11.695 -3.362 -11.648 1.00 71.44 N ATOM 1394 CA ASP A 85 12.463 -3.327 -10.376 1.00 32.22 C ATOM 1395 C ASP A 85 11.839 -2.327 -9.368 1.00 63.40 C ATOM 1396 O ASP A 85 11.894 -2.525 -8.151 1.00 65.12 O ATOM 1397 CB ASP A 85 13.926 -2.916 -10.648 1.00 30.14 C ATOM 1398 CG ASP A 85 14.632 -3.823 -11.670 1.00 40.21 C ATOM 1399 OD1 ASP A 85 14.407 -3.642 -12.891 1.00 42.14 O ATOM 1400 OD2 ASP A 85 15.399 -4.729 -11.260 1.00 64.22 O ATOM 0 H ASP A 85 12.221 -3.020 -12.452 1.00 71.44 H new ATOM 0 HA ASP A 85 12.431 -4.328 -9.945 1.00 32.22 H new ATOM 0 HB2 ASP A 85 13.946 -1.888 -11.010 1.00 30.14 H new ATOM 0 HB3 ASP A 85 14.482 -2.935 -9.711 1.00 30.14 H new ATOM 1405 N LEU A 86 11.282 -1.231 -9.901 1.00 62.24 N ATOM 1406 CA LEU A 86 10.613 -0.191 -9.097 1.00 74.24 C ATOM 1407 C LEU A 86 9.204 -0.644 -8.616 1.00 63.03 C ATOM 1408 O LEU A 86 8.766 -0.277 -7.523 1.00 63.34 O ATOM 1409 CB LEU A 86 10.507 1.118 -9.901 1.00 74.33 C ATOM 1410 CG LEU A 86 10.050 2.357 -9.082 1.00 54.32 C ATOM 1411 CD1 LEU A 86 11.157 2.852 -8.119 1.00 43.31 C ATOM 1412 CD2 LEU A 86 9.547 3.477 -10.013 1.00 2.21 C ATOM 0 H LEU A 86 11.281 -1.037 -10.902 1.00 62.24 H new ATOM 0 HA LEU A 86 11.222 -0.020 -8.210 1.00 74.24 H new ATOM 0 HB2 LEU A 86 11.479 1.333 -10.345 1.00 74.33 H new ATOM 0 HB3 LEU A 86 9.807 0.966 -10.723 1.00 74.33 H new ATOM 0 HG LEU A 86 9.212 2.051 -8.456 1.00 54.32 H new ATOM 0 HD11 LEU A 86 10.797 3.719 -7.566 1.00 43.31 H new ATOM 0 HD12 LEU A 86 11.413 2.056 -7.420 1.00 43.31 H new ATOM 0 HD13 LEU A 86 12.041 3.129 -8.693 1.00 43.31 H new ATOM 0 HD21 LEU A 86 9.233 4.333 -9.416 1.00 2.21 H new ATOM 0 HD22 LEU A 86 10.350 3.779 -10.686 1.00 2.21 H new ATOM 0 HD23 LEU A 86 8.702 3.113 -10.597 1.00 2.21 H new ATOM 1424 N ILE A 87 8.495 -1.416 -9.461 1.00 21.13 N ATOM 1425 CA ILE A 87 7.267 -2.147 -9.058 1.00 24.12 C ATOM 1426 C ILE A 87 7.583 -3.105 -7.873 1.00 1.44 C ATOM 1427 O ILE A 87 6.753 -3.310 -6.984 1.00 72.53 O ATOM 1428 CB ILE A 87 6.675 -3.006 -10.249 1.00 31.54 C ATOM 1429 CG1 ILE A 87 6.442 -2.144 -11.528 1.00 0.20 C ATOM 1430 CG2 ILE A 87 5.363 -3.737 -9.845 1.00 23.32 C ATOM 1431 CD1 ILE A 87 6.052 -2.943 -12.771 1.00 23.45 C ATOM 0 H ILE A 87 8.751 -1.554 -10.439 1.00 21.13 H new ATOM 0 HA ILE A 87 6.530 -1.399 -8.764 1.00 24.12 H new ATOM 0 HB ILE A 87 7.424 -3.763 -10.481 1.00 31.54 H new ATOM 0 HG12 ILE A 87 5.659 -1.414 -11.321 1.00 0.20 H new ATOM 0 HG13 ILE A 87 7.352 -1.583 -11.743 1.00 0.20 H new ATOM 0 HG21 ILE A 87 4.992 -4.314 -10.692 1.00 23.32 H new ATOM 0 HG22 ILE A 87 5.563 -4.407 -9.009 1.00 23.32 H new ATOM 0 HG23 ILE A 87 4.613 -3.003 -9.550 1.00 23.32 H new ATOM 0 HD11 ILE A 87 5.910 -2.263 -13.611 1.00 23.45 H new ATOM 0 HD12 ILE A 87 6.843 -3.654 -13.009 1.00 23.45 H new ATOM 0 HD13 ILE A 87 5.124 -3.482 -12.580 1.00 23.45 H new ATOM 1443 N ASP A 88 8.817 -3.669 -7.883 1.00 43.32 N ATOM 1444 CA ASP A 88 9.293 -4.576 -6.819 1.00 45.10 C ATOM 1445 C ASP A 88 9.536 -3.787 -5.507 1.00 33.42 C ATOM 1446 O ASP A 88 9.401 -4.332 -4.407 1.00 20.31 O ATOM 1447 CB ASP A 88 10.583 -5.295 -7.284 1.00 42.14 C ATOM 1448 CG ASP A 88 10.946 -6.519 -6.426 1.00 64.11 C ATOM 1449 OD1 ASP A 88 11.674 -6.368 -5.420 1.00 34.44 O ATOM 1450 OD2 ASP A 88 10.500 -7.640 -6.758 1.00 22.12 O ATOM 0 H ASP A 88 9.501 -3.507 -8.623 1.00 43.32 H new ATOM 0 HA ASP A 88 8.530 -5.329 -6.620 1.00 45.10 H new ATOM 0 HB2 ASP A 88 10.460 -5.611 -8.320 1.00 42.14 H new ATOM 0 HB3 ASP A 88 11.412 -4.587 -7.263 1.00 42.14 H new ATOM 1455 N LYS A 89 9.887 -2.487 -5.647 1.00 33.24 N ATOM 1456 CA LYS A 89 10.036 -1.563 -4.503 1.00 35.24 C ATOM 1457 C LYS A 89 8.667 -1.333 -3.813 1.00 72.12 C ATOM 1458 O LYS A 89 8.582 -1.289 -2.588 1.00 21.13 O ATOM 1459 CB LYS A 89 10.648 -0.223 -4.988 1.00 45.21 C ATOM 1460 CG LYS A 89 11.011 0.779 -3.867 1.00 11.11 C ATOM 1461 CD LYS A 89 11.775 2.009 -4.409 1.00 75.54 C ATOM 1462 CE LYS A 89 12.169 3.006 -3.305 1.00 5.50 C ATOM 1463 NZ LYS A 89 12.968 4.144 -3.839 1.00 33.25 N ATOM 0 H LYS A 89 10.073 -2.053 -6.551 1.00 33.24 H new ATOM 0 HA LYS A 89 10.710 -2.006 -3.769 1.00 35.24 H new ATOM 0 HB2 LYS A 89 11.547 -0.440 -5.564 1.00 45.21 H new ATOM 0 HB3 LYS A 89 9.942 0.256 -5.667 1.00 45.21 H new ATOM 0 HG2 LYS A 89 10.100 1.110 -3.369 1.00 11.11 H new ATOM 0 HG3 LYS A 89 11.621 0.276 -3.116 1.00 11.11 H new ATOM 0 HD2 LYS A 89 12.674 1.673 -4.925 1.00 75.54 H new ATOM 0 HD3 LYS A 89 11.155 2.519 -5.147 1.00 75.54 H new ATOM 0 HE2 LYS A 89 11.269 3.389 -2.825 1.00 5.50 H new ATOM 0 HE3 LYS A 89 12.744 2.488 -2.537 1.00 5.50 H new ATOM 0 HZ1 LYS A 89 13.212 4.791 -3.062 1.00 33.25 H new ATOM 0 HZ2 LYS A 89 13.840 3.782 -4.275 1.00 33.25 H new ATOM 0 HZ3 LYS A 89 12.410 4.655 -4.553 1.00 33.25 H new ATOM 1477 N VAL A 90 7.605 -1.217 -4.632 1.00 54.21 N ATOM 1478 CA VAL A 90 6.204 -1.118 -4.146 1.00 70.51 C ATOM 1479 C VAL A 90 5.757 -2.447 -3.477 1.00 60.44 C ATOM 1480 O VAL A 90 5.127 -2.446 -2.415 1.00 31.03 O ATOM 1481 CB VAL A 90 5.211 -0.789 -5.330 1.00 51.14 C ATOM 1482 CG1 VAL A 90 3.780 -0.498 -4.815 1.00 34.14 C ATOM 1483 CG2 VAL A 90 5.736 0.373 -6.197 1.00 62.43 C ATOM 0 H VAL A 90 7.687 -1.189 -5.648 1.00 54.21 H new ATOM 0 HA VAL A 90 6.174 -0.310 -3.415 1.00 70.51 H new ATOM 0 HB VAL A 90 5.157 -1.677 -5.959 1.00 51.14 H new ATOM 0 HG11 VAL A 90 3.127 -0.276 -5.659 1.00 34.14 H new ATOM 0 HG12 VAL A 90 3.401 -1.370 -4.282 1.00 34.14 H new ATOM 0 HG13 VAL A 90 3.803 0.358 -4.140 1.00 34.14 H new ATOM 0 HG21 VAL A 90 5.030 0.574 -7.002 1.00 62.43 H new ATOM 0 HG22 VAL A 90 5.847 1.265 -5.581 1.00 62.43 H new ATOM 0 HG23 VAL A 90 6.703 0.102 -6.621 1.00 62.43 H new ATOM 1493 N LYS A 91 6.137 -3.567 -4.127 1.00 53.30 N ATOM 1494 CA LYS A 91 5.725 -4.941 -3.754 1.00 33.24 C ATOM 1495 C LYS A 91 6.248 -5.317 -2.343 1.00 55.11 C ATOM 1496 O LYS A 91 5.481 -5.738 -1.471 1.00 73.44 O ATOM 1497 CB LYS A 91 6.263 -5.959 -4.835 1.00 14.01 C ATOM 1498 CG LYS A 91 5.256 -7.038 -5.294 1.00 44.13 C ATOM 1499 CD LYS A 91 4.809 -8.008 -4.180 1.00 2.34 C ATOM 1500 CE LYS A 91 3.839 -9.082 -4.706 1.00 2.44 C ATOM 1501 NZ LYS A 91 4.442 -9.878 -5.811 1.00 31.11 N ATOM 0 H LYS A 91 6.750 -3.544 -4.942 1.00 53.30 H new ATOM 0 HA LYS A 91 4.636 -4.987 -3.724 1.00 33.24 H new ATOM 0 HB2 LYS A 91 6.588 -5.395 -5.709 1.00 14.01 H new ATOM 0 HB3 LYS A 91 7.144 -6.458 -4.432 1.00 14.01 H new ATOM 0 HG2 LYS A 91 4.375 -6.544 -5.704 1.00 44.13 H new ATOM 0 HG3 LYS A 91 5.704 -7.615 -6.103 1.00 44.13 H new ATOM 0 HD2 LYS A 91 5.685 -8.491 -3.747 1.00 2.34 H new ATOM 0 HD3 LYS A 91 4.328 -7.445 -3.380 1.00 2.34 H new ATOM 0 HE2 LYS A 91 3.557 -9.748 -3.890 1.00 2.44 H new ATOM 0 HE3 LYS A 91 2.925 -8.605 -5.059 1.00 2.44 H new ATOM 0 HZ1 LYS A 91 4.084 -10.854 -5.771 1.00 31.11 H new ATOM 0 HZ2 LYS A 91 4.186 -9.453 -6.725 1.00 31.11 H new ATOM 0 HZ3 LYS A 91 5.477 -9.884 -5.710 1.00 31.11 H new ATOM 1515 N LYS A 92 7.564 -5.121 -2.140 1.00 32.30 N ATOM 1516 CA LYS A 92 8.261 -5.503 -0.899 1.00 64.31 C ATOM 1517 C LYS A 92 7.909 -4.565 0.288 1.00 22.24 C ATOM 1518 O LYS A 92 7.849 -5.007 1.447 1.00 44.10 O ATOM 1519 CB LYS A 92 9.792 -5.541 -1.143 1.00 44.11 C ATOM 1520 CG LYS A 92 10.618 -6.019 0.071 1.00 21.41 C ATOM 1521 CD LYS A 92 10.208 -7.439 0.535 1.00 64.23 C ATOM 1522 CE LYS A 92 11.033 -7.945 1.726 1.00 12.22 C ATOM 1523 NZ LYS A 92 12.445 -8.214 1.361 1.00 72.43 N ATOM 0 H LYS A 92 8.175 -4.692 -2.835 1.00 32.30 H new ATOM 0 HA LYS A 92 7.919 -6.500 -0.619 1.00 64.31 H new ATOM 0 HB2 LYS A 92 9.997 -6.198 -1.988 1.00 44.11 H new ATOM 0 HB3 LYS A 92 10.128 -4.543 -1.426 1.00 44.11 H new ATOM 0 HG2 LYS A 92 11.677 -6.015 -0.188 1.00 21.41 H new ATOM 0 HG3 LYS A 92 10.488 -5.318 0.895 1.00 21.41 H new ATOM 0 HD2 LYS A 92 9.153 -7.435 0.807 1.00 64.23 H new ATOM 0 HD3 LYS A 92 10.320 -8.133 -0.298 1.00 64.23 H new ATOM 0 HE2 LYS A 92 11.002 -7.206 2.526 1.00 12.22 H new ATOM 0 HE3 LYS A 92 10.581 -8.857 2.116 1.00 12.22 H new ATOM 0 HZ1 LYS A 92 12.961 -8.553 2.198 1.00 72.43 H new ATOM 0 HZ2 LYS A 92 12.479 -8.939 0.616 1.00 72.43 H new ATOM 0 HZ3 LYS A 92 12.886 -7.339 1.013 1.00 72.43 H new ATOM 1537 N LYS A 93 7.702 -3.270 0.002 1.00 31.32 N ATOM 1538 CA LYS A 93 7.227 -2.302 1.022 1.00 42.31 C ATOM 1539 C LYS A 93 5.764 -2.583 1.444 1.00 14.12 C ATOM 1540 O LYS A 93 5.399 -2.328 2.584 1.00 52.44 O ATOM 1541 CB LYS A 93 7.391 -0.841 0.532 1.00 10.32 C ATOM 1542 CG LYS A 93 8.864 -0.381 0.418 1.00 24.42 C ATOM 1543 CD LYS A 93 9.003 1.116 0.051 1.00 43.22 C ATOM 1544 CE LYS A 93 10.462 1.561 -0.110 1.00 44.13 C ATOM 1545 NZ LYS A 93 11.253 1.348 1.127 1.00 35.41 N ATOM 0 H LYS A 93 7.853 -2.863 -0.921 1.00 31.32 H new ATOM 0 HA LYS A 93 7.853 -2.434 1.904 1.00 42.31 H new ATOM 0 HB2 LYS A 93 6.912 -0.739 -0.442 1.00 10.32 H new ATOM 0 HB3 LYS A 93 6.865 -0.177 1.218 1.00 10.32 H new ATOM 0 HG2 LYS A 93 9.371 -0.566 1.365 1.00 24.42 H new ATOM 0 HG3 LYS A 93 9.370 -0.983 -0.337 1.00 24.42 H new ATOM 0 HD2 LYS A 93 8.466 1.308 -0.878 1.00 43.22 H new ATOM 0 HD3 LYS A 93 8.528 1.720 0.824 1.00 43.22 H new ATOM 0 HE2 LYS A 93 10.920 1.009 -0.931 1.00 44.13 H new ATOM 0 HE3 LYS A 93 10.490 2.617 -0.380 1.00 44.13 H new ATOM 0 HZ1 LYS A 93 12.197 1.770 1.013 1.00 35.41 H new ATOM 0 HZ2 LYS A 93 10.768 1.797 1.930 1.00 35.41 H new ATOM 0 HZ3 LYS A 93 11.349 0.328 1.306 1.00 35.41 H new ATOM 1559 N LEU A 94 4.951 -3.124 0.518 1.00 25.31 N ATOM 1560 CA LEU A 94 3.571 -3.597 0.815 1.00 31.13 C ATOM 1561 C LEU A 94 3.602 -4.853 1.733 1.00 25.31 C ATOM 1562 O LEU A 94 2.779 -5.000 2.652 1.00 30.23 O ATOM 1563 CB LEU A 94 2.830 -3.921 -0.507 1.00 74.45 C ATOM 1564 CG LEU A 94 1.381 -4.493 -0.375 1.00 20.31 C ATOM 1565 CD1 LEU A 94 0.406 -3.457 0.236 1.00 43.34 C ATOM 1566 CD2 LEU A 94 0.878 -5.011 -1.737 1.00 41.03 C ATOM 0 H LEU A 94 5.224 -3.249 -0.457 1.00 25.31 H new ATOM 0 HA LEU A 94 3.039 -2.804 1.340 1.00 31.13 H new ATOM 0 HB2 LEU A 94 2.784 -3.010 -1.104 1.00 74.45 H new ATOM 0 HB3 LEU A 94 3.430 -4.639 -1.067 1.00 74.45 H new ATOM 0 HG LEU A 94 1.416 -5.335 0.316 1.00 20.31 H new ATOM 0 HD11 LEU A 94 -0.590 -3.894 0.310 1.00 43.34 H new ATOM 0 HD12 LEU A 94 0.753 -3.173 1.230 1.00 43.34 H new ATOM 0 HD13 LEU A 94 0.368 -2.574 -0.401 1.00 43.34 H new ATOM 0 HD21 LEU A 94 -0.132 -5.405 -1.626 1.00 41.03 H new ATOM 0 HD22 LEU A 94 0.871 -4.193 -2.457 1.00 41.03 H new ATOM 0 HD23 LEU A 94 1.539 -5.801 -2.092 1.00 41.03 H new ATOM 1578 N ASP A 95 4.562 -5.752 1.452 1.00 32.32 N ATOM 1579 CA ASP A 95 4.892 -6.909 2.317 1.00 51.44 C ATOM 1580 C ASP A 95 5.262 -6.464 3.753 1.00 40.14 C ATOM 1581 O ASP A 95 4.870 -7.097 4.743 1.00 75.34 O ATOM 1582 CB ASP A 95 6.068 -7.701 1.686 1.00 54.24 C ATOM 1583 CG ASP A 95 5.653 -8.570 0.487 1.00 22.52 C ATOM 1584 OD1 ASP A 95 4.675 -9.341 0.621 1.00 61.32 O ATOM 1585 OD2 ASP A 95 6.328 -8.534 -0.566 1.00 3.51 O ATOM 0 H ASP A 95 5.138 -5.699 0.612 1.00 32.32 H new ATOM 0 HA ASP A 95 4.010 -7.545 2.389 1.00 51.44 H new ATOM 0 HB2 ASP A 95 6.837 -6.999 1.366 1.00 54.24 H new ATOM 0 HB3 ASP A 95 6.516 -8.339 2.448 1.00 54.24 H new ATOM 1590 N MET A 96 6.027 -5.365 3.825 1.00 54.15 N ATOM 1591 CA MET A 96 6.421 -4.719 5.085 1.00 70.14 C ATOM 1592 C MET A 96 5.187 -4.180 5.859 1.00 13.22 C ATOM 1593 O MET A 96 5.114 -4.352 7.072 1.00 54.41 O ATOM 1594 CB MET A 96 7.462 -3.606 4.767 1.00 44.20 C ATOM 1595 CG MET A 96 7.875 -2.690 5.939 1.00 4.34 C ATOM 1596 SD MET A 96 6.588 -1.501 6.410 1.00 13.43 S ATOM 1597 CE MET A 96 7.296 -0.736 7.867 1.00 45.03 C ATOM 0 H MET A 96 6.394 -4.894 2.998 1.00 54.15 H new ATOM 0 HA MET A 96 6.884 -5.451 5.747 1.00 70.14 H new ATOM 0 HB2 MET A 96 8.360 -4.082 4.374 1.00 44.20 H new ATOM 0 HB3 MET A 96 7.059 -2.980 3.971 1.00 44.20 H new ATOM 0 HG2 MET A 96 8.123 -3.307 6.803 1.00 4.34 H new ATOM 0 HG3 MET A 96 8.779 -2.146 5.665 1.00 4.34 H new ATOM 0 HE1 MET A 96 7.072 0.331 7.863 1.00 45.03 H new ATOM 0 HE2 MET A 96 6.871 -1.193 8.761 1.00 45.03 H new ATOM 0 HE3 MET A 96 8.377 -0.879 7.865 1.00 45.03 H new ATOM 1607 N VAL A 97 4.219 -3.555 5.140 1.00 13.24 N ATOM 1608 CA VAL A 97 2.951 -3.034 5.743 1.00 54.23 C ATOM 1609 C VAL A 97 2.151 -4.170 6.435 1.00 42.24 C ATOM 1610 O VAL A 97 1.648 -4.006 7.561 1.00 54.55 O ATOM 1611 CB VAL A 97 2.028 -2.340 4.661 1.00 41.22 C ATOM 1612 CG1 VAL A 97 0.715 -1.784 5.278 1.00 74.10 C ATOM 1613 CG2 VAL A 97 2.785 -1.227 3.907 1.00 40.10 C ATOM 0 H VAL A 97 4.288 -3.396 4.135 1.00 13.24 H new ATOM 0 HA VAL A 97 3.243 -2.291 6.485 1.00 54.23 H new ATOM 0 HB VAL A 97 1.751 -3.114 3.945 1.00 41.22 H new ATOM 0 HG11 VAL A 97 0.115 -1.317 4.497 1.00 74.10 H new ATOM 0 HG12 VAL A 97 0.151 -2.600 5.730 1.00 74.10 H new ATOM 0 HG13 VAL A 97 0.956 -1.044 6.041 1.00 74.10 H new ATOM 0 HG21 VAL A 97 2.123 -0.771 3.171 1.00 40.10 H new ATOM 0 HG22 VAL A 97 3.117 -0.469 4.616 1.00 40.10 H new ATOM 0 HG23 VAL A 97 3.650 -1.654 3.400 1.00 40.10 H new ATOM 1623 N THR A 98 2.067 -5.324 5.744 1.00 15.00 N ATOM 1624 CA THR A 98 1.385 -6.533 6.257 1.00 61.33 C ATOM 1625 C THR A 98 2.026 -7.018 7.576 1.00 45.21 C ATOM 1626 O THR A 98 1.379 -7.013 8.632 1.00 11.32 O ATOM 1627 CB THR A 98 1.438 -7.695 5.202 1.00 55.21 C ATOM 1628 OG1 THR A 98 0.872 -7.254 3.959 1.00 13.10 O ATOM 1629 CG2 THR A 98 0.688 -8.959 5.684 1.00 52.32 C ATOM 0 H THR A 98 2.469 -5.446 4.815 1.00 15.00 H new ATOM 0 HA THR A 98 0.346 -6.262 6.445 1.00 61.33 H new ATOM 0 HB THR A 98 2.487 -7.959 5.067 1.00 55.21 H new ATOM 0 HG1 THR A 98 1.465 -6.592 3.546 1.00 13.10 H new ATOM 0 HG21 THR A 98 0.753 -9.734 4.920 1.00 52.32 H new ATOM 0 HG22 THR A 98 1.140 -9.321 6.607 1.00 52.32 H new ATOM 0 HG23 THR A 98 -0.359 -8.714 5.864 1.00 52.32 H new ATOM 1637 N ARG A 99 3.333 -7.332 7.503 1.00 2.10 N ATOM 1638 CA ARG A 99 4.106 -7.914 8.621 1.00 10.53 C ATOM 1639 C ARG A 99 4.289 -6.932 9.798 1.00 1.05 C ATOM 1640 O ARG A 99 4.528 -7.359 10.930 1.00 1.14 O ATOM 1641 CB ARG A 99 5.465 -8.450 8.110 1.00 43.10 C ATOM 1642 CG ARG A 99 5.325 -9.675 7.171 1.00 43.50 C ATOM 1643 CD ARG A 99 6.676 -10.250 6.697 1.00 11.42 C ATOM 1644 NE ARG A 99 7.392 -9.339 5.775 1.00 34.13 N ATOM 1645 CZ ARG A 99 7.637 -9.581 4.503 1.00 53.44 C ATOM 1646 NH1 ARG A 99 7.175 -10.634 3.915 1.00 25.20 N ATOM 1647 NH2 ARG A 99 8.329 -8.742 3.816 1.00 73.33 N ATOM 0 H ARG A 99 3.889 -7.188 6.660 1.00 2.10 H new ATOM 0 HA ARG A 99 3.527 -8.749 9.017 1.00 10.53 H new ATOM 0 HB2 ARG A 99 5.987 -7.653 7.581 1.00 43.10 H new ATOM 0 HB3 ARG A 99 6.084 -8.724 8.964 1.00 43.10 H new ATOM 0 HG2 ARG A 99 4.769 -10.457 7.688 1.00 43.50 H new ATOM 0 HG3 ARG A 99 4.736 -9.388 6.300 1.00 43.50 H new ATOM 0 HD2 ARG A 99 7.305 -10.451 7.564 1.00 11.42 H new ATOM 0 HD3 ARG A 99 6.505 -11.204 6.199 1.00 11.42 H new ATOM 0 HE ARG A 99 7.722 -8.452 6.155 1.00 34.13 H new ATOM 0 HH11 ARG A 99 6.606 -11.301 4.436 1.00 25.20 H new ATOM 0 HH12 ARG A 99 7.379 -10.799 2.929 1.00 25.20 H new ATOM 0 HH21 ARG A 99 8.686 -7.894 4.256 1.00 73.33 H new ATOM 0 HH22 ARG A 99 8.521 -8.925 2.831 1.00 73.33 H new ATOM 1661 N GLU A 100 4.210 -5.623 9.510 1.00 13.33 N ATOM 1662 CA GLU A 100 4.258 -4.566 10.539 1.00 21.45 C ATOM 1663 C GLU A 100 3.043 -4.651 11.490 1.00 31.11 C ATOM 1664 O GLU A 100 3.161 -4.431 12.699 1.00 44.14 O ATOM 1665 CB GLU A 100 4.323 -3.174 9.875 1.00 44.52 C ATOM 1666 CG GLU A 100 4.622 -2.011 10.838 1.00 35.12 C ATOM 1667 CD GLU A 100 6.007 -2.075 11.520 1.00 20.34 C ATOM 1668 OE1 GLU A 100 7.015 -2.387 10.843 1.00 60.34 O ATOM 1669 OE2 GLU A 100 6.104 -1.803 12.738 1.00 5.44 O ATOM 0 H GLU A 100 4.111 -5.266 8.560 1.00 13.33 H new ATOM 0 HA GLU A 100 5.159 -4.718 11.133 1.00 21.45 H new ATOM 0 HB2 GLU A 100 5.090 -3.192 9.101 1.00 44.52 H new ATOM 0 HB3 GLU A 100 3.373 -2.980 9.378 1.00 44.52 H new ATOM 0 HG2 GLU A 100 4.547 -1.073 10.287 1.00 35.12 H new ATOM 0 HG3 GLU A 100 3.853 -1.990 11.610 1.00 35.12 H new