USER MOD reduce.3.24.130724 H: found=0, std=0, add=794, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 796 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 112 GLN : amide:sc= -2.79! K(o=-4.1!,f=-0.58) USER MOD Set 1.2: A 116 ASN : amide:sc= -1.31! K(o=-4.1!,f=-0.58) USER MOD Set 2.1: A 109 ASN : amide:sc= 0.715 K(o=2.1,f=-9.9!) USER MOD Set 2.2: A 110 LYS NZ :NH3+ -143:sc= 1.39 (180deg=-0.232) USER MOD Set 3.1: A 96 ASN : amide:sc= 0.525 X(o=1.1,f=1.1) USER MOD Set 3.2: A 98 ASN : amide:sc= 0.591 X(o=1.1,f=1.1) USER MOD Set 4.1: A 45 MET CE :methyl 164:sc= -1.79! (180deg=-2.7) USER MOD Set 4.2: A 81 LYS NZ :NH3+ -173:sc= 1.5 (180deg=1.33) USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.107 USER MOD Single : A 16 LYS NZ :NH3+ -106:sc= 0.749 (180deg=-1.72!) USER MOD Single : A 17 SER OG : rot -78:sc= 1.06 USER MOD Single : A 23 GLN : amide:sc= -0.499 K(o=-0.5,f=-2) USER MOD Single : A 44 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 46 ASN : amide:sc= 1.26 K(o=1.3,f=-0.27) USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 168:sc= 1.19 (180deg=1.15) USER MOD Single : A 57 SER OG : rot 112:sc= 0.795 USER MOD Single : A 59 LYS NZ :NH3+ -178:sc= 2.02 (180deg=1.98) USER MOD Single : A 61 GLN : amide:sc= 0.768 K(o=0.77,f=-0.01) USER MOD Single : A 62 SER OG : rot 180:sc= -0.068 USER MOD Single : A 67 LYS NZ :NH3+ -177:sc= 1.29 (180deg=1.24) USER MOD Single : A 69 SER OG : rot -86:sc= 1.2 USER MOD Single : A 71 TYR OH : rot 150:sc= 1.05 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HD1:sc= -0.107 X(o=-0.11,f=0.0054) USER MOD Single : A 75 ASN : amide:sc= -3.69! C(o=-3.7!,f=-6.9!) USER MOD Single : A 82 LYS NZ :NH3+ 161:sc= 1.27! (180deg=0.846) USER MOD Single : A 87 LYS NZ :NH3+ -128:sc= 0.151 (180deg=-0.678) USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.828 K(o=-0.83,f=0) USER MOD Single : A 104 TYR OH : rot 63:sc= 0.119 USER MOD Single : A 106 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 113 THR OG1 : rot -120:sc= -2.12! USER MOD Single : A 118 ASN : amide:sc= -0.66 K(o=-0.66,f=-0.14) USER MOD Single : A 120 LYS NZ :NH3+ 155:sc= -1.52! (180deg=-2.82!) USER MOD Single : A 124 MET CE :methyl -165:sc=-0.00756 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 141 N ARG A 9 -3.246 -15.689 -6.338 1.00 0.00 N ATOM 142 CA ARG A 9 -1.932 -15.495 -5.767 1.00 0.00 C ATOM 143 C ARG A 9 -1.895 -15.502 -4.268 1.00 0.00 C ATOM 144 O ARG A 9 -2.806 -15.012 -3.585 1.00 0.00 O ATOM 145 CB ARG A 9 -1.278 -14.227 -6.269 1.00 0.00 C ATOM 146 CG ARG A 9 -0.724 -14.303 -7.638 1.00 0.00 C ATOM 147 CD ARG A 9 -0.123 -12.978 -7.978 1.00 0.00 C ATOM 148 NE ARG A 9 -1.141 -11.954 -8.143 1.00 0.00 N ATOM 149 CZ ARG A 9 -0.977 -10.649 -7.975 1.00 0.00 C ATOM 150 NH1 ARG A 9 0.141 -10.149 -7.457 1.00 0.00 N ATOM 151 NH2 ARG A 9 -1.959 -9.843 -8.320 1.00 0.00 N ATOM 0 HA ARG A 9 -1.370 -16.365 -6.106 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -2.011 -13.421 -6.235 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -0.475 -13.956 -5.584 1.00 0.00 H new ATOM 0 HG2 ARG A 9 0.030 -15.088 -7.699 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -1.508 -14.558 -8.351 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.570 -12.680 -7.191 1.00 0.00 H new ATOM 0 HD3 ARG A 9 0.457 -13.066 -8.897 1.00 0.00 H new ATOM 0 HE ARG A 9 -2.072 -12.270 -8.414 1.00 0.00 H new ATOM 0 HH11 ARG A 9 0.898 -10.774 -7.178 1.00 0.00 H new ATOM 0 HH12 ARG A 9 0.242 -9.141 -7.338 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -2.821 -10.226 -8.707 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -1.857 -8.835 -8.201 1.00 0.00 H new ATOM 165 N ASP A 10 -0.825 -16.072 -3.768 1.00 0.00 N ATOM 166 CA ASP A 10 -0.486 -16.006 -2.373 1.00 0.00 C ATOM 167 C ASP A 10 0.505 -14.907 -2.345 1.00 0.00 C ATOM 168 O ASP A 10 1.697 -15.116 -2.627 1.00 0.00 O ATOM 169 CB ASP A 10 0.205 -17.275 -1.919 1.00 0.00 C ATOM 170 CG ASP A 10 0.053 -17.593 -0.430 1.00 0.00 C ATOM 171 OD1 ASP A 10 -0.990 -18.160 -0.028 1.00 0.00 O ATOM 172 OD2 ASP A 10 0.995 -17.361 0.370 1.00 0.00 O ATOM 0 H ASP A 10 -0.158 -16.601 -4.329 1.00 0.00 H new ATOM 0 HA ASP A 10 -1.358 -15.868 -1.734 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -0.188 -18.112 -2.496 1.00 0.00 H new ATOM 0 HB3 ASP A 10 1.267 -17.197 -2.153 1.00 0.00 H new ATOM 177 N VAL A 11 0.016 -13.736 -2.158 1.00 0.00 N ATOM 178 CA VAL A 11 0.833 -12.561 -2.265 1.00 0.00 C ATOM 179 C VAL A 11 1.789 -12.417 -1.121 1.00 0.00 C ATOM 180 O VAL A 11 1.504 -11.820 -0.085 1.00 0.00 O ATOM 181 CB VAL A 11 0.045 -11.255 -2.496 1.00 0.00 C ATOM 182 CG1 VAL A 11 -0.602 -11.243 -3.855 1.00 0.00 C ATOM 183 CG2 VAL A 11 -0.984 -11.056 -1.426 1.00 0.00 C ATOM 0 H VAL A 11 -0.960 -13.554 -1.926 1.00 0.00 H new ATOM 0 HA VAL A 11 1.415 -12.724 -3.172 1.00 0.00 H new ATOM 0 HB VAL A 11 0.755 -10.429 -2.451 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -1.150 -10.310 -3.989 1.00 0.00 H new ATOM 0 HG12 VAL A 11 0.166 -11.326 -4.624 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -1.291 -12.084 -3.937 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -1.526 -10.129 -1.611 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -1.683 -11.893 -1.433 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -0.493 -11.002 -0.454 1.00 0.00 H new ATOM 193 N THR A 12 2.871 -13.051 -1.244 1.00 0.00 N ATOM 194 CA THR A 12 3.859 -12.866 -0.256 1.00 0.00 C ATOM 195 C THR A 12 4.950 -11.923 -0.690 1.00 0.00 C ATOM 196 O THR A 12 5.215 -10.925 -0.014 1.00 0.00 O ATOM 197 CB THR A 12 4.428 -14.154 0.260 1.00 0.00 C ATOM 198 OG1 THR A 12 5.200 -14.807 -0.768 1.00 0.00 O ATOM 199 CG2 THR A 12 3.313 -15.063 0.640 1.00 0.00 C ATOM 0 H THR A 12 3.105 -13.694 -2.000 1.00 0.00 H new ATOM 0 HA THR A 12 3.338 -12.396 0.578 1.00 0.00 H new ATOM 0 HB THR A 12 5.063 -13.935 1.118 1.00 0.00 H new ATOM 0 HG1 THR A 12 5.567 -15.646 -0.418 1.00 0.00 H new ATOM 0 HG21 THR A 12 3.721 -16.001 1.016 1.00 0.00 H new ATOM 0 HG22 THR A 12 2.709 -14.593 1.416 1.00 0.00 H new ATOM 0 HG23 THR A 12 2.692 -15.261 -0.233 1.00 0.00 H new ATOM 207 N ASP A 13 5.580 -12.195 -1.818 1.00 0.00 N ATOM 208 CA ASP A 13 6.649 -11.335 -2.256 1.00 0.00 C ATOM 209 C ASP A 13 6.095 -10.188 -3.064 1.00 0.00 C ATOM 210 O ASP A 13 6.771 -9.209 -3.320 1.00 0.00 O ATOM 211 CB ASP A 13 7.776 -12.071 -2.991 1.00 0.00 C ATOM 212 CG ASP A 13 9.059 -11.236 -3.014 1.00 0.00 C ATOM 213 OD1 ASP A 13 9.761 -11.185 -1.966 1.00 0.00 O ATOM 214 OD2 ASP A 13 9.378 -10.599 -4.039 1.00 0.00 O ATOM 0 H ASP A 13 5.373 -12.985 -2.430 1.00 0.00 H new ATOM 0 HA ASP A 13 7.122 -10.935 -1.359 1.00 0.00 H new ATOM 0 HB2 ASP A 13 7.969 -13.026 -2.503 1.00 0.00 H new ATOM 0 HB3 ASP A 13 7.464 -12.292 -4.012 1.00 0.00 H new ATOM 219 N ASP A 14 4.825 -10.286 -3.429 1.00 0.00 N ATOM 220 CA ASP A 14 4.128 -9.185 -4.090 1.00 0.00 C ATOM 221 C ASP A 14 3.983 -8.123 -3.025 1.00 0.00 C ATOM 222 O ASP A 14 4.211 -6.928 -3.229 1.00 0.00 O ATOM 223 CB ASP A 14 2.722 -9.624 -4.511 1.00 0.00 C ATOM 224 CG ASP A 14 2.684 -10.974 -5.190 1.00 0.00 C ATOM 225 OD1 ASP A 14 2.914 -11.988 -4.486 1.00 0.00 O ATOM 226 OD2 ASP A 14 2.371 -11.037 -6.395 1.00 0.00 O ATOM 0 H ASP A 14 4.253 -11.117 -3.280 1.00 0.00 H new ATOM 0 HA ASP A 14 4.666 -8.847 -4.975 1.00 0.00 H new ATOM 0 HB2 ASP A 14 2.081 -9.652 -3.630 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.304 -8.876 -5.185 1.00 0.00 H new ATOM 231 N VAL A 15 3.650 -8.612 -1.860 1.00 0.00 N ATOM 232 CA VAL A 15 3.532 -7.825 -0.681 1.00 0.00 C ATOM 233 C VAL A 15 4.914 -7.361 -0.227 1.00 0.00 C ATOM 234 O VAL A 15 5.117 -6.189 0.073 1.00 0.00 O ATOM 235 CB VAL A 15 2.797 -8.637 0.431 1.00 0.00 C ATOM 236 CG1 VAL A 15 2.895 -7.935 1.786 1.00 0.00 C ATOM 237 CG2 VAL A 15 1.331 -8.753 0.045 1.00 0.00 C ATOM 0 H VAL A 15 3.449 -9.601 -1.710 1.00 0.00 H new ATOM 0 HA VAL A 15 2.935 -6.937 -0.890 1.00 0.00 H new ATOM 0 HB VAL A 15 3.263 -9.618 0.518 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.374 -8.525 2.540 1.00 0.00 H new ATOM 0 HG12 VAL A 15 3.943 -7.831 2.067 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.438 -6.948 1.718 1.00 0.00 H new ATOM 0 HG21 VAL A 15 0.797 -9.318 0.809 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.897 -7.757 -0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.246 -9.268 -0.912 1.00 0.00 H new ATOM 247 N LYS A 16 5.867 -8.273 -0.225 1.00 0.00 N ATOM 248 CA LYS A 16 7.217 -7.957 0.194 1.00 0.00 C ATOM 249 C LYS A 16 7.916 -6.969 -0.729 1.00 0.00 C ATOM 250 O LYS A 16 8.694 -6.154 -0.263 1.00 0.00 O ATOM 251 CB LYS A 16 8.036 -9.196 0.366 1.00 0.00 C ATOM 252 CG LYS A 16 9.359 -8.917 1.046 1.00 0.00 C ATOM 253 CD LYS A 16 9.958 -10.157 1.623 1.00 0.00 C ATOM 254 CE LYS A 16 9.122 -10.663 2.784 1.00 0.00 C ATOM 255 NZ LYS A 16 9.765 -11.802 3.481 1.00 0.00 N ATOM 0 H LYS A 16 5.729 -9.243 -0.510 1.00 0.00 H new ATOM 0 HA LYS A 16 7.124 -7.464 1.162 1.00 0.00 H new ATOM 0 HB2 LYS A 16 7.474 -9.922 0.953 1.00 0.00 H new ATOM 0 HB3 LYS A 16 8.219 -9.647 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 16 10.052 -8.479 0.327 1.00 0.00 H new ATOM 0 HG3 LYS A 16 9.213 -8.182 1.837 1.00 0.00 H new ATOM 0 HD2 LYS A 16 10.026 -10.927 0.854 1.00 0.00 H new ATOM 0 HD3 LYS A 16 10.974 -9.953 1.961 1.00 0.00 H new ATOM 0 HE2 LYS A 16 8.958 -9.851 3.493 1.00 0.00 H new ATOM 0 HE3 LYS A 16 8.142 -10.969 2.418 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 9.269 -12.683 3.238 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 10.760 -11.873 3.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 9.718 -11.651 4.509 1.00 0.00 H new ATOM 269 N SER A 17 7.661 -7.044 -2.016 1.00 0.00 N ATOM 270 CA SER A 17 8.228 -6.078 -2.940 1.00 0.00 C ATOM 271 C SER A 17 7.715 -4.687 -2.614 1.00 0.00 C ATOM 272 O SER A 17 8.503 -3.737 -2.539 1.00 0.00 O ATOM 273 CB SER A 17 7.992 -6.473 -4.407 1.00 0.00 C ATOM 274 OG SER A 17 6.652 -6.801 -4.641 1.00 0.00 O ATOM 0 H SER A 17 7.071 -7.755 -2.447 1.00 0.00 H new ATOM 0 HA SER A 17 9.311 -6.071 -2.813 1.00 0.00 H new ATOM 0 HB2 SER A 17 8.285 -5.649 -5.058 1.00 0.00 H new ATOM 0 HB3 SER A 17 8.625 -7.322 -4.663 1.00 0.00 H new ATOM 0 HG SER A 17 6.474 -7.706 -4.309 1.00 0.00 H new ATOM 280 N ILE A 18 6.404 -4.587 -2.364 1.00 0.00 N ATOM 281 CA ILE A 18 5.803 -3.351 -1.879 1.00 0.00 C ATOM 282 C ILE A 18 6.538 -2.878 -0.615 1.00 0.00 C ATOM 283 O ILE A 18 6.980 -1.722 -0.528 1.00 0.00 O ATOM 284 CB ILE A 18 4.295 -3.560 -1.558 1.00 0.00 C ATOM 285 CG1 ILE A 18 3.476 -3.714 -2.852 1.00 0.00 C ATOM 286 CG2 ILE A 18 3.752 -2.449 -0.661 1.00 0.00 C ATOM 287 CD1 ILE A 18 2.001 -3.989 -2.627 1.00 0.00 C ATOM 0 H ILE A 18 5.742 -5.353 -2.492 1.00 0.00 H new ATOM 0 HA ILE A 18 5.891 -2.595 -2.659 1.00 0.00 H new ATOM 0 HB ILE A 18 4.195 -4.489 -0.997 1.00 0.00 H new ATOM 0 HG12 ILE A 18 3.578 -2.804 -3.443 1.00 0.00 H new ATOM 0 HG13 ILE A 18 3.900 -4.527 -3.442 1.00 0.00 H new ATOM 0 HG21 ILE A 18 2.696 -2.629 -0.458 1.00 0.00 H new ATOM 0 HG22 ILE A 18 4.305 -2.437 0.278 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.867 -1.488 -1.162 1.00 0.00 H new ATOM 0 HD11 ILE A 18 1.498 -4.084 -3.589 1.00 0.00 H new ATOM 0 HD12 ILE A 18 1.885 -4.915 -2.064 1.00 0.00 H new ATOM 0 HD13 ILE A 18 1.559 -3.166 -2.066 1.00 0.00 H new ATOM 299 N VAL A 19 6.695 -3.796 0.329 1.00 0.00 N ATOM 300 CA VAL A 19 7.368 -3.529 1.588 1.00 0.00 C ATOM 301 C VAL A 19 8.795 -3.043 1.387 1.00 0.00 C ATOM 302 O VAL A 19 9.182 -2.051 1.967 1.00 0.00 O ATOM 303 CB VAL A 19 7.329 -4.753 2.529 1.00 0.00 C ATOM 304 CG1 VAL A 19 8.154 -4.519 3.784 1.00 0.00 C ATOM 305 CG2 VAL A 19 5.914 -5.020 2.928 1.00 0.00 C ATOM 0 H VAL A 19 6.355 -4.754 0.240 1.00 0.00 H new ATOM 0 HA VAL A 19 6.815 -2.721 2.067 1.00 0.00 H new ATOM 0 HB VAL A 19 7.749 -5.604 1.993 1.00 0.00 H new ATOM 0 HG11 VAL A 19 8.103 -5.401 4.422 1.00 0.00 H new ATOM 0 HG12 VAL A 19 9.191 -4.330 3.508 1.00 0.00 H new ATOM 0 HG13 VAL A 19 7.760 -3.658 4.323 1.00 0.00 H new ATOM 0 HG21 VAL A 19 5.880 -5.883 3.593 1.00 0.00 H new ATOM 0 HG22 VAL A 19 5.511 -4.149 3.444 1.00 0.00 H new ATOM 0 HG23 VAL A 19 5.317 -5.223 2.039 1.00 0.00 H new ATOM 315 N ARG A 20 9.545 -3.707 0.527 1.00 0.00 N ATOM 316 CA ARG A 20 10.931 -3.326 0.258 1.00 0.00 C ATOM 317 C ARG A 20 11.042 -1.907 -0.242 1.00 0.00 C ATOM 318 O ARG A 20 12.008 -1.214 0.053 1.00 0.00 O ATOM 319 CB ARG A 20 11.614 -4.294 -0.709 1.00 0.00 C ATOM 320 CG ARG A 20 11.852 -5.653 -0.102 1.00 0.00 C ATOM 321 CD ARG A 20 12.580 -6.615 -1.044 1.00 0.00 C ATOM 322 NE ARG A 20 11.818 -6.920 -2.274 1.00 0.00 N ATOM 323 CZ ARG A 20 11.265 -8.128 -2.564 1.00 0.00 C ATOM 324 NH1 ARG A 20 11.329 -9.116 -1.691 1.00 0.00 N ATOM 325 NH2 ARG A 20 10.663 -8.337 -3.724 1.00 0.00 N ATOM 0 H ARG A 20 9.222 -4.517 -0.002 1.00 0.00 H new ATOM 0 HA ARG A 20 11.454 -3.384 1.212 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.999 -4.403 -1.602 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.567 -3.871 -1.027 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.435 -5.539 0.812 1.00 0.00 H new ATOM 0 HG3 ARG A 20 10.895 -6.089 0.183 1.00 0.00 H new ATOM 0 HD2 ARG A 20 13.543 -6.184 -1.319 1.00 0.00 H new ATOM 0 HD3 ARG A 20 12.787 -7.544 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 20 11.698 -6.170 -2.954 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.795 -8.975 -0.795 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.913 -10.020 -1.913 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.610 -7.587 -4.413 1.00 0.00 H new ATOM 0 HH22 ARG A 20 10.252 -9.248 -3.929 1.00 0.00 H new ATOM 339 N PHE A 21 10.047 -1.460 -0.963 1.00 0.00 N ATOM 340 CA PHE A 21 10.079 -0.119 -1.451 1.00 0.00 C ATOM 341 C PHE A 21 9.594 0.886 -0.431 1.00 0.00 C ATOM 342 O PHE A 21 10.133 1.972 -0.324 1.00 0.00 O ATOM 343 CB PHE A 21 9.359 0.039 -2.755 1.00 0.00 C ATOM 344 CG PHE A 21 10.087 -0.559 -3.904 1.00 0.00 C ATOM 345 CD1 PHE A 21 11.136 0.112 -4.480 1.00 0.00 C ATOM 346 CD2 PHE A 21 9.708 -1.765 -4.416 1.00 0.00 C ATOM 347 CE1 PHE A 21 11.803 -0.421 -5.565 1.00 0.00 C ATOM 348 CE2 PHE A 21 10.351 -2.313 -5.496 1.00 0.00 C ATOM 349 CZ PHE A 21 11.406 -1.641 -6.077 1.00 0.00 C ATOM 0 H PHE A 21 9.220 -2.000 -1.219 1.00 0.00 H new ATOM 0 HA PHE A 21 11.131 0.097 -1.637 1.00 0.00 H new ATOM 0 HB2 PHE A 21 8.375 -0.423 -2.677 1.00 0.00 H new ATOM 0 HB3 PHE A 21 9.199 1.100 -2.948 1.00 0.00 H new ATOM 0 HD1 PHE A 21 11.443 1.067 -4.080 1.00 0.00 H new ATOM 0 HD2 PHE A 21 8.886 -2.298 -3.962 1.00 0.00 H new ATOM 0 HE1 PHE A 21 12.630 0.112 -6.010 1.00 0.00 H new ATOM 0 HE2 PHE A 21 10.033 -3.267 -5.890 1.00 0.00 H new ATOM 0 HZ PHE A 21 11.919 -2.066 -6.927 1.00 0.00 H new ATOM 359 N VAL A 22 8.599 0.552 0.334 1.00 0.00 N ATOM 360 CA VAL A 22 8.194 1.485 1.342 1.00 0.00 C ATOM 361 C VAL A 22 9.281 1.581 2.425 1.00 0.00 C ATOM 362 O VAL A 22 9.466 2.633 3.039 1.00 0.00 O ATOM 363 CB VAL A 22 6.794 1.215 1.929 1.00 0.00 C ATOM 364 CG1 VAL A 22 5.724 1.381 0.858 1.00 0.00 C ATOM 365 CG2 VAL A 22 6.733 -0.159 2.513 1.00 0.00 C ATOM 0 H VAL A 22 8.072 -0.320 0.286 1.00 0.00 H new ATOM 0 HA VAL A 22 8.090 2.456 0.858 1.00 0.00 H new ATOM 0 HB VAL A 22 6.606 1.941 2.720 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.743 1.186 1.291 1.00 0.00 H new ATOM 0 HG12 VAL A 22 5.754 2.399 0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.909 0.677 0.047 1.00 0.00 H new ATOM 0 HG21 VAL A 22 5.739 -0.336 2.924 1.00 0.00 H new ATOM 0 HG22 VAL A 22 6.941 -0.894 1.736 1.00 0.00 H new ATOM 0 HG23 VAL A 22 7.475 -0.250 3.306 1.00 0.00 H new ATOM 375 N GLN A 23 10.017 0.471 2.627 1.00 0.00 N ATOM 376 CA GLN A 23 11.191 0.477 3.463 1.00 0.00 C ATOM 377 C GLN A 23 12.274 1.410 2.904 1.00 0.00 C ATOM 378 O GLN A 23 12.944 2.103 3.682 1.00 0.00 O ATOM 379 CB GLN A 23 11.774 -0.920 3.639 1.00 0.00 C ATOM 380 CG GLN A 23 10.935 -1.874 4.464 1.00 0.00 C ATOM 381 CD GLN A 23 11.630 -3.206 4.665 1.00 0.00 C ATOM 382 OE1 GLN A 23 11.488 -4.127 3.872 1.00 0.00 O ATOM 383 NE2 GLN A 23 12.386 -3.315 5.728 1.00 0.00 N ATOM 0 H GLN A 23 9.802 -0.436 2.212 1.00 0.00 H new ATOM 0 HA GLN A 23 10.869 0.845 4.437 1.00 0.00 H new ATOM 0 HB2 GLN A 23 11.928 -1.358 2.653 1.00 0.00 H new ATOM 0 HB3 GLN A 23 12.755 -0.830 4.105 1.00 0.00 H new ATOM 0 HG2 GLN A 23 10.722 -1.425 5.434 1.00 0.00 H new ATOM 0 HG3 GLN A 23 9.977 -2.035 3.970 1.00 0.00 H new ATOM 0 HE21 GLN A 23 12.482 -2.527 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 23 12.879 -4.188 5.916 1.00 0.00 H new ATOM 392 N GLU A 24 12.446 1.455 1.558 1.00 0.00 N ATOM 393 CA GLU A 24 13.476 2.328 0.972 1.00 0.00 C ATOM 394 C GLU A 24 13.156 3.762 1.235 1.00 0.00 C ATOM 395 O GLU A 24 14.056 4.586 1.416 1.00 0.00 O ATOM 396 CB GLU A 24 13.777 2.070 -0.563 1.00 0.00 C ATOM 397 CG GLU A 24 12.705 2.464 -1.635 1.00 0.00 C ATOM 398 CD GLU A 24 12.485 3.982 -1.853 1.00 0.00 C ATOM 399 OE1 GLU A 24 13.418 4.669 -2.311 1.00 0.00 O ATOM 400 OE2 GLU A 24 11.374 4.495 -1.564 1.00 0.00 O ATOM 0 H GLU A 24 11.902 0.915 0.885 1.00 0.00 H new ATOM 0 HA GLU A 24 14.405 2.065 1.477 1.00 0.00 H new ATOM 0 HB2 GLU A 24 14.696 2.601 -0.810 1.00 0.00 H new ATOM 0 HB3 GLU A 24 13.982 1.006 -0.682 1.00 0.00 H new ATOM 0 HG2 GLU A 24 12.993 2.019 -2.587 1.00 0.00 H new ATOM 0 HG3 GLU A 24 11.753 2.017 -1.349 1.00 0.00 H new ATOM 675 N PHE A 43 1.861 9.075 4.441 1.00 0.00 N ATOM 676 CA PHE A 43 1.533 7.968 3.573 1.00 0.00 C ATOM 677 C PHE A 43 0.192 7.381 3.939 1.00 0.00 C ATOM 678 O PHE A 43 -0.036 6.996 5.080 1.00 0.00 O ATOM 679 CB PHE A 43 2.602 6.863 3.677 1.00 0.00 C ATOM 680 CG PHE A 43 3.998 7.293 3.309 1.00 0.00 C ATOM 681 CD1 PHE A 43 4.431 7.235 1.995 1.00 0.00 C ATOM 682 CD2 PHE A 43 4.879 7.745 4.282 1.00 0.00 C ATOM 683 CE1 PHE A 43 5.712 7.622 1.658 1.00 0.00 C ATOM 684 CE2 PHE A 43 6.159 8.134 3.947 1.00 0.00 C ATOM 685 CZ PHE A 43 6.576 8.072 2.634 1.00 0.00 C ATOM 0 HA PHE A 43 1.497 8.349 2.552 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.612 6.483 4.699 1.00 0.00 H new ATOM 0 HB3 PHE A 43 2.311 6.034 3.031 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.759 6.883 1.226 1.00 0.00 H new ATOM 0 HD2 PHE A 43 4.559 7.793 5.312 1.00 0.00 H new ATOM 0 HE1 PHE A 43 6.038 7.572 0.630 1.00 0.00 H new ATOM 0 HE2 PHE A 43 6.834 8.487 4.712 1.00 0.00 H new ATOM 0 HZ PHE A 43 7.578 8.376 2.370 1.00 0.00 H new ATOM 695 N THR A 44 -0.697 7.356 2.998 1.00 0.00 N ATOM 696 CA THR A 44 -1.961 6.699 3.147 1.00 0.00 C ATOM 697 C THR A 44 -1.982 5.574 2.120 1.00 0.00 C ATOM 698 O THR A 44 -1.255 5.657 1.113 1.00 0.00 O ATOM 699 CB THR A 44 -3.135 7.682 2.916 1.00 0.00 C ATOM 700 OG1 THR A 44 -2.985 8.321 1.641 1.00 0.00 O ATOM 701 CG2 THR A 44 -3.173 8.748 4.006 1.00 0.00 C ATOM 0 H THR A 44 -0.565 7.798 2.088 1.00 0.00 H new ATOM 0 HA THR A 44 -2.082 6.312 4.159 1.00 0.00 H new ATOM 0 HB THR A 44 -4.066 7.116 2.944 1.00 0.00 H new ATOM 0 HG1 THR A 44 -3.730 8.941 1.496 1.00 0.00 H new ATOM 0 HG21 THR A 44 -4.006 9.427 3.822 1.00 0.00 H new ATOM 0 HG22 THR A 44 -3.301 8.271 4.977 1.00 0.00 H new ATOM 0 HG23 THR A 44 -2.239 9.310 3.998 1.00 0.00 H new ATOM 709 N MET A 45 -2.776 4.535 2.342 1.00 0.00 N ATOM 710 CA MET A 45 -2.757 3.379 1.434 1.00 0.00 C ATOM 711 C MET A 45 -3.178 3.730 0.026 1.00 0.00 C ATOM 712 O MET A 45 -2.610 3.230 -0.927 1.00 0.00 O ATOM 713 CB MET A 45 -3.566 2.184 1.951 1.00 0.00 C ATOM 714 CG MET A 45 -5.048 2.436 2.197 1.00 0.00 C ATOM 715 SD MET A 45 -5.928 0.919 2.622 1.00 0.00 S ATOM 716 CE MET A 45 -4.936 0.340 4.003 1.00 0.00 C ATOM 0 H MET A 45 -3.429 4.461 3.122 1.00 0.00 H new ATOM 0 HA MET A 45 -1.711 3.074 1.405 1.00 0.00 H new ATOM 0 HB2 MET A 45 -3.471 1.369 1.234 1.00 0.00 H new ATOM 0 HB3 MET A 45 -3.116 1.842 2.883 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.164 3.161 3.003 1.00 0.00 H new ATOM 0 HG3 MET A 45 -5.494 2.877 1.305 1.00 0.00 H new ATOM 0 HE1 MET A 45 -5.491 -0.417 4.557 1.00 0.00 H new ATOM 0 HE2 MET A 45 -4.008 -0.092 3.629 1.00 0.00 H new ATOM 0 HE3 MET A 45 -4.707 1.177 4.662 1.00 0.00 H new ATOM 726 N ASN A 46 -4.129 4.636 -0.094 1.00 0.00 N ATOM 727 CA ASN A 46 -4.650 5.038 -1.398 1.00 0.00 C ATOM 728 C ASN A 46 -3.572 5.752 -2.194 1.00 0.00 C ATOM 729 O ASN A 46 -3.524 5.658 -3.420 1.00 0.00 O ATOM 730 CB ASN A 46 -5.878 5.938 -1.240 1.00 0.00 C ATOM 731 CG ASN A 46 -6.962 5.303 -0.387 1.00 0.00 C ATOM 732 OD1 ASN A 46 -6.962 5.461 0.833 1.00 0.00 O ATOM 733 ND2 ASN A 46 -7.864 4.574 -0.992 1.00 0.00 N ATOM 0 H ASN A 46 -4.562 5.113 0.697 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.953 4.141 -1.938 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.575 6.884 -0.791 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.284 6.168 -2.225 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -8.597 4.116 -0.450 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.835 4.464 -2.006 1.00 0.00 H new ATOM 740 N MET A 47 -2.677 6.443 -1.487 1.00 0.00 N ATOM 741 CA MET A 47 -1.577 7.111 -2.142 1.00 0.00 C ATOM 742 C MET A 47 -0.561 6.102 -2.587 1.00 0.00 C ATOM 743 O MET A 47 -0.084 6.177 -3.688 1.00 0.00 O ATOM 744 CB MET A 47 -0.926 8.187 -1.265 1.00 0.00 C ATOM 745 CG MET A 47 -1.762 9.443 -1.096 1.00 0.00 C ATOM 746 SD MET A 47 -2.072 10.284 -2.664 1.00 0.00 S ATOM 747 CE MET A 47 -3.039 11.687 -2.109 1.00 0.00 C ATOM 0 H MET A 47 -2.700 6.548 -0.473 1.00 0.00 H new ATOM 0 HA MET A 47 -1.983 7.628 -3.011 1.00 0.00 H new ATOM 0 HB2 MET A 47 -0.723 7.764 -0.281 1.00 0.00 H new ATOM 0 HB3 MET A 47 0.036 8.460 -1.699 1.00 0.00 H new ATOM 0 HG2 MET A 47 -2.714 9.182 -0.633 1.00 0.00 H new ATOM 0 HG3 MET A 47 -1.253 10.126 -0.416 1.00 0.00 H new ATOM 0 HE1 MET A 47 -3.309 12.305 -2.966 1.00 0.00 H new ATOM 0 HE2 MET A 47 -3.945 11.333 -1.618 1.00 0.00 H new ATOM 0 HE3 MET A 47 -2.452 12.278 -1.406 1.00 0.00 H new ATOM 757 N LEU A 48 -0.289 5.112 -1.745 1.00 0.00 N ATOM 758 CA LEU A 48 0.688 4.061 -2.071 1.00 0.00 C ATOM 759 C LEU A 48 0.320 3.361 -3.378 1.00 0.00 C ATOM 760 O LEU A 48 1.181 3.042 -4.185 1.00 0.00 O ATOM 761 CB LEU A 48 0.794 3.041 -0.934 1.00 0.00 C ATOM 762 CG LEU A 48 1.204 3.592 0.435 1.00 0.00 C ATOM 763 CD1 LEU A 48 1.303 2.475 1.453 1.00 0.00 C ATOM 764 CD2 LEU A 48 2.519 4.354 0.346 1.00 0.00 C ATOM 0 H LEU A 48 -0.727 5.008 -0.830 1.00 0.00 H new ATOM 0 HA LEU A 48 1.660 4.538 -2.197 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -0.171 2.545 -0.828 1.00 0.00 H new ATOM 0 HB3 LEU A 48 1.515 2.277 -1.225 1.00 0.00 H new ATOM 0 HG LEU A 48 0.432 4.289 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 48 1.595 2.888 2.419 1.00 0.00 H new ATOM 0 HD12 LEU A 48 0.336 1.982 1.547 1.00 0.00 H new ATOM 0 HD13 LEU A 48 2.049 1.751 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 2.787 4.734 1.332 1.00 0.00 H new ATOM 0 HD22 LEU A 48 3.303 3.686 -0.010 1.00 0.00 H new ATOM 0 HD23 LEU A 48 2.410 5.188 -0.347 1.00 0.00 H new ATOM 776 N VAL A 49 -0.972 3.178 -3.587 1.00 0.00 N ATOM 777 CA VAL A 49 -1.515 2.606 -4.759 1.00 0.00 C ATOM 778 C VAL A 49 -1.271 3.504 -5.952 1.00 0.00 C ATOM 779 O VAL A 49 -0.887 3.047 -7.034 1.00 0.00 O ATOM 780 CB VAL A 49 -3.009 2.469 -4.549 1.00 0.00 C ATOM 781 CG1 VAL A 49 -3.669 2.056 -5.795 1.00 0.00 C ATOM 782 CG2 VAL A 49 -3.285 1.506 -3.443 1.00 0.00 C ATOM 0 H VAL A 49 -1.682 3.442 -2.904 1.00 0.00 H new ATOM 0 HA VAL A 49 -1.047 1.641 -4.950 1.00 0.00 H new ATOM 0 HB VAL A 49 -3.417 3.439 -4.264 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -4.742 1.963 -5.625 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -3.488 2.803 -6.568 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -3.268 1.095 -6.118 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -4.362 1.415 -3.300 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -2.869 0.531 -3.697 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -2.826 1.868 -2.523 1.00 0.00 H new ATOM 792 N ASP A 50 -1.504 4.770 -5.743 1.00 0.00 N ATOM 793 CA ASP A 50 -1.348 5.774 -6.785 1.00 0.00 C ATOM 794 C ASP A 50 0.102 5.771 -7.284 1.00 0.00 C ATOM 795 O ASP A 50 0.357 5.776 -8.490 1.00 0.00 O ATOM 796 CB ASP A 50 -1.741 7.149 -6.259 1.00 0.00 C ATOM 797 CG ASP A 50 -2.159 8.089 -7.356 1.00 0.00 C ATOM 798 OD1 ASP A 50 -1.306 8.792 -7.935 1.00 0.00 O ATOM 799 OD2 ASP A 50 -3.390 8.153 -7.643 1.00 0.00 O ATOM 0 H ASP A 50 -1.809 5.146 -4.845 1.00 0.00 H new ATOM 0 HA ASP A 50 -2.007 5.535 -7.620 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -2.559 7.041 -5.546 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -0.900 7.581 -5.716 1.00 0.00 H new ATOM 804 N ILE A 51 1.042 5.688 -6.340 1.00 0.00 N ATOM 805 CA ILE A 51 2.470 5.565 -6.660 1.00 0.00 C ATOM 806 C ILE A 51 2.733 4.232 -7.391 1.00 0.00 C ATOM 807 O ILE A 51 3.383 4.201 -8.447 1.00 0.00 O ATOM 808 CB ILE A 51 3.404 5.640 -5.378 1.00 0.00 C ATOM 809 CG1 ILE A 51 3.555 7.057 -4.806 1.00 0.00 C ATOM 810 CG2 ILE A 51 4.787 5.116 -5.686 1.00 0.00 C ATOM 811 CD1 ILE A 51 2.335 7.692 -4.215 1.00 0.00 C ATOM 0 H ILE A 51 0.840 5.704 -5.340 1.00 0.00 H new ATOM 0 HA ILE A 51 2.717 6.413 -7.298 1.00 0.00 H new ATOM 0 HB ILE A 51 2.906 5.022 -4.631 1.00 0.00 H new ATOM 0 HG12 ILE A 51 4.327 7.030 -4.037 1.00 0.00 H new ATOM 0 HG13 ILE A 51 3.921 7.705 -5.602 1.00 0.00 H new ATOM 0 HG21 ILE A 51 5.407 5.178 -4.792 1.00 0.00 H new ATOM 0 HG22 ILE A 51 4.719 4.077 -6.009 1.00 0.00 H new ATOM 0 HG23 ILE A 51 5.234 5.714 -6.480 1.00 0.00 H new ATOM 0 HD11 ILE A 51 2.584 8.688 -3.850 1.00 0.00 H new ATOM 0 HD12 ILE A 51 1.559 7.768 -4.977 1.00 0.00 H new ATOM 0 HD13 ILE A 51 1.972 7.082 -3.387 1.00 0.00 H new ATOM 823 N PHE A 52 2.189 3.159 -6.830 1.00 0.00 N ATOM 824 CA PHE A 52 2.354 1.790 -7.327 1.00 0.00 C ATOM 825 C PHE A 52 1.940 1.682 -8.806 1.00 0.00 C ATOM 826 O PHE A 52 2.641 1.067 -9.609 1.00 0.00 O ATOM 827 CB PHE A 52 1.528 0.834 -6.431 1.00 0.00 C ATOM 828 CG PHE A 52 1.728 -0.645 -6.655 1.00 0.00 C ATOM 829 CD1 PHE A 52 2.983 -1.213 -6.533 1.00 0.00 C ATOM 830 CD2 PHE A 52 0.650 -1.472 -6.939 1.00 0.00 C ATOM 831 CE1 PHE A 52 3.168 -2.570 -6.697 1.00 0.00 C ATOM 832 CE2 PHE A 52 0.831 -2.828 -7.108 1.00 0.00 C ATOM 833 CZ PHE A 52 2.091 -3.379 -6.986 1.00 0.00 C ATOM 0 H PHE A 52 1.605 3.214 -5.995 1.00 0.00 H new ATOM 0 HA PHE A 52 3.405 1.507 -7.278 1.00 0.00 H new ATOM 0 HB2 PHE A 52 1.763 1.055 -5.390 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.472 1.060 -6.575 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.831 -0.584 -6.306 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.340 -1.049 -7.028 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.155 -2.997 -6.599 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -0.014 -3.460 -7.336 1.00 0.00 H new ATOM 0 HZ PHE A 52 2.232 -4.442 -7.117 1.00 0.00 H new ATOM 843 N LEU A 53 0.837 2.322 -9.161 1.00 0.00 N ATOM 844 CA LEU A 53 0.352 2.323 -10.541 1.00 0.00 C ATOM 845 C LEU A 53 1.041 3.378 -11.412 1.00 0.00 C ATOM 846 O LEU A 53 0.967 3.317 -12.639 1.00 0.00 O ATOM 847 CB LEU A 53 -1.179 2.493 -10.609 1.00 0.00 C ATOM 848 CG LEU A 53 -2.041 1.211 -10.598 1.00 0.00 C ATOM 849 CD1 LEU A 53 -1.823 0.353 -9.382 1.00 0.00 C ATOM 850 CD2 LEU A 53 -3.498 1.547 -10.713 1.00 0.00 C ATOM 0 H LEU A 53 0.255 2.851 -8.512 1.00 0.00 H new ATOM 0 HA LEU A 53 0.611 1.345 -10.946 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.486 3.112 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.416 3.049 -11.516 1.00 0.00 H new ATOM 0 HG LEU A 53 -1.720 0.633 -11.464 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.460 -0.530 -9.441 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.779 0.044 -9.337 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -2.072 0.922 -8.486 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -4.085 0.629 -10.703 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -3.794 2.176 -9.873 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.676 2.081 -11.646 1.00 0.00 H new ATOM 862 N GLY A 54 1.717 4.323 -10.792 1.00 0.00 N ATOM 863 CA GLY A 54 2.375 5.374 -11.549 1.00 0.00 C ATOM 864 C GLY A 54 1.398 6.460 -11.933 1.00 0.00 C ATOM 865 O GLY A 54 1.436 7.023 -13.052 1.00 0.00 O ATOM 0 H GLY A 54 1.826 4.388 -9.780 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.184 5.801 -10.957 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.826 4.952 -12.447 1.00 0.00 H new ATOM 869 N SER A 55 0.523 6.763 -11.027 1.00 0.00 N ATOM 870 CA SER A 55 -0.487 7.734 -11.245 1.00 0.00 C ATOM 871 C SER A 55 0.002 9.161 -10.904 1.00 0.00 C ATOM 872 O SER A 55 1.201 9.390 -10.691 1.00 0.00 O ATOM 873 CB SER A 55 -1.750 7.325 -10.516 1.00 0.00 C ATOM 874 OG SER A 55 -2.224 6.085 -11.013 1.00 0.00 O ATOM 0 H SER A 55 0.495 6.333 -10.103 1.00 0.00 H new ATOM 0 HA SER A 55 -0.729 7.774 -12.307 1.00 0.00 H new ATOM 0 HB2 SER A 55 -1.551 7.244 -9.447 1.00 0.00 H new ATOM 0 HB3 SER A 55 -2.515 8.091 -10.641 1.00 0.00 H new ATOM 0 HG SER A 55 -3.040 5.830 -10.533 1.00 0.00 H new ATOM 880 N LYS A 56 -0.898 10.123 -10.924 1.00 0.00 N ATOM 881 CA LYS A 56 -0.509 11.520 -10.827 1.00 0.00 C ATOM 882 C LYS A 56 -0.892 12.189 -9.504 1.00 0.00 C ATOM 883 O LYS A 56 -0.475 13.347 -9.228 1.00 0.00 O ATOM 884 CB LYS A 56 -0.997 12.308 -12.062 1.00 0.00 C ATOM 885 CG LYS A 56 0.010 12.378 -13.249 1.00 0.00 C ATOM 886 CD LYS A 56 0.578 11.012 -13.712 1.00 0.00 C ATOM 887 CE LYS A 56 -0.477 10.063 -14.285 1.00 0.00 C ATOM 888 NZ LYS A 56 0.121 8.749 -14.694 1.00 0.00 N ATOM 0 H LYS A 56 -1.903 9.966 -11.006 1.00 0.00 H new ATOM 0 HA LYS A 56 0.581 11.538 -10.824 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -1.922 11.856 -12.419 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -1.238 13.325 -11.752 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -0.484 12.854 -14.096 1.00 0.00 H new ATOM 0 HG3 LYS A 56 0.842 13.021 -12.962 1.00 0.00 H new ATOM 0 HD2 LYS A 56 1.345 11.186 -14.467 1.00 0.00 H new ATOM 0 HD3 LYS A 56 1.067 10.528 -12.867 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -1.255 9.893 -13.541 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.956 10.529 -15.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -0.640 8.066 -14.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 0.692 8.880 -15.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 0.726 8.389 -13.928 1.00 0.00 H new ATOM 902 N SER A 57 -1.600 11.476 -8.657 1.00 0.00 N ATOM 903 CA SER A 57 -1.942 11.998 -7.354 1.00 0.00 C ATOM 904 C SER A 57 -0.680 11.845 -6.507 1.00 0.00 C ATOM 905 O SER A 57 -0.392 12.656 -5.606 1.00 0.00 O ATOM 906 CB SER A 57 -3.086 11.191 -6.751 1.00 0.00 C ATOM 907 OG SER A 57 -4.056 10.888 -7.742 1.00 0.00 O ATOM 0 H SER A 57 -1.949 10.536 -8.846 1.00 0.00 H new ATOM 0 HA SER A 57 -2.269 13.036 -7.404 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.699 10.268 -6.318 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.549 11.754 -5.941 1.00 0.00 H new ATOM 0 HG SER A 57 -4.058 9.923 -7.914 1.00 0.00 H new ATOM 913 N ALA A 58 0.093 10.839 -6.891 1.00 0.00 N ATOM 914 CA ALA A 58 1.367 10.503 -6.364 1.00 0.00 C ATOM 915 C ALA A 58 2.319 11.695 -6.338 1.00 0.00 C ATOM 916 O ALA A 58 2.801 12.192 -7.394 1.00 0.00 O ATOM 917 CB ALA A 58 1.957 9.397 -7.209 1.00 0.00 C ATOM 0 H ALA A 58 -0.194 10.202 -7.635 1.00 0.00 H new ATOM 0 HA ALA A 58 1.235 10.179 -5.332 1.00 0.00 H new ATOM 0 HB1 ALA A 58 2.938 9.125 -6.819 1.00 0.00 H new ATOM 0 HB2 ALA A 58 1.301 8.527 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 58 2.059 9.740 -8.238 1.00 0.00 H new ATOM 923 N LYS A 59 2.552 12.187 -5.153 1.00 0.00 N ATOM 924 CA LYS A 59 3.522 13.237 -4.928 1.00 0.00 C ATOM 925 C LYS A 59 4.819 12.587 -4.429 1.00 0.00 C ATOM 926 O LYS A 59 5.846 13.234 -4.302 1.00 0.00 O ATOM 927 CB LYS A 59 2.997 14.245 -3.891 1.00 0.00 C ATOM 928 CG LYS A 59 1.686 15.004 -4.238 1.00 0.00 C ATOM 929 CD LYS A 59 1.818 15.983 -5.427 1.00 0.00 C ATOM 930 CE LYS A 59 1.530 15.343 -6.792 1.00 0.00 C ATOM 931 NZ LYS A 59 0.105 14.934 -6.941 1.00 0.00 N ATOM 0 H LYS A 59 2.075 11.873 -4.308 1.00 0.00 H new ATOM 0 HA LYS A 59 3.705 13.780 -5.855 1.00 0.00 H new ATOM 0 HB2 LYS A 59 2.841 13.713 -2.952 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.778 14.984 -3.713 1.00 0.00 H new ATOM 0 HG2 LYS A 59 0.907 14.276 -4.466 1.00 0.00 H new ATOM 0 HG3 LYS A 59 1.357 15.559 -3.359 1.00 0.00 H new ATOM 0 HD2 LYS A 59 1.133 16.818 -5.276 1.00 0.00 H new ATOM 0 HD3 LYS A 59 2.827 16.396 -5.435 1.00 0.00 H new ATOM 0 HE2 LYS A 59 1.787 16.049 -7.582 1.00 0.00 H new ATOM 0 HE3 LYS A 59 2.171 14.471 -6.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -0.030 14.477 -7.865 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.145 14.266 -6.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.506 15.773 -6.877 1.00 0.00 H new ATOM 945 N ILE A 60 4.722 11.295 -4.176 1.00 0.00 N ATOM 946 CA ILE A 60 5.814 10.464 -3.706 1.00 0.00 C ATOM 947 C ILE A 60 6.463 9.773 -4.908 1.00 0.00 C ATOM 948 O ILE A 60 5.822 8.969 -5.576 1.00 0.00 O ATOM 949 CB ILE A 60 5.260 9.341 -2.763 1.00 0.00 C ATOM 950 CG1 ILE A 60 4.600 9.900 -1.488 1.00 0.00 C ATOM 951 CG2 ILE A 60 6.326 8.300 -2.414 1.00 0.00 C ATOM 952 CD1 ILE A 60 5.562 10.520 -0.510 1.00 0.00 C ATOM 0 H ILE A 60 3.851 10.778 -4.296 1.00 0.00 H new ATOM 0 HA ILE A 60 6.531 11.089 -3.173 1.00 0.00 H new ATOM 0 HB ILE A 60 4.479 8.839 -3.334 1.00 0.00 H new ATOM 0 HG12 ILE A 60 3.860 10.647 -1.774 1.00 0.00 H new ATOM 0 HG13 ILE A 60 4.062 9.094 -0.989 1.00 0.00 H new ATOM 0 HG21 ILE A 60 5.895 7.543 -1.759 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.686 7.827 -3.328 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.158 8.788 -1.906 1.00 0.00 H new ATOM 0 HD11 ILE A 60 5.013 10.887 0.357 1.00 0.00 H new ATOM 0 HD12 ILE A 60 6.288 9.772 -0.190 1.00 0.00 H new ATOM 0 HD13 ILE A 60 6.082 11.350 -0.988 1.00 0.00 H new ATOM 964 N GLN A 61 7.657 10.139 -5.244 1.00 0.00 N ATOM 965 CA GLN A 61 8.387 9.413 -6.257 1.00 0.00 C ATOM 966 C GLN A 61 9.685 8.906 -5.700 1.00 0.00 C ATOM 967 O GLN A 61 10.643 9.661 -5.558 1.00 0.00 O ATOM 968 CB GLN A 61 8.660 10.212 -7.550 1.00 0.00 C ATOM 969 CG GLN A 61 7.493 10.369 -8.525 1.00 0.00 C ATOM 970 CD GLN A 61 6.461 11.405 -8.141 1.00 0.00 C ATOM 971 OE1 GLN A 61 6.594 12.580 -8.493 1.00 0.00 O ATOM 972 NE2 GLN A 61 5.395 10.994 -7.515 1.00 0.00 N ATOM 0 H GLN A 61 8.155 10.932 -4.839 1.00 0.00 H new ATOM 0 HA GLN A 61 7.737 8.586 -6.542 1.00 0.00 H new ATOM 0 HB2 GLN A 61 9.003 11.208 -7.268 1.00 0.00 H new ATOM 0 HB3 GLN A 61 9.482 9.730 -8.079 1.00 0.00 H new ATOM 0 HG2 GLN A 61 7.893 10.626 -9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 61 6.995 9.405 -8.627 1.00 0.00 H new ATOM 0 HE21 GLN A 61 5.312 10.016 -7.236 1.00 0.00 H new ATOM 0 HE22 GLN A 61 4.643 11.650 -7.304 1.00 0.00 H new ATOM 981 N SER A 62 9.692 7.667 -5.287 1.00 0.00 N ATOM 982 CA SER A 62 10.908 7.021 -4.853 1.00 0.00 C ATOM 983 C SER A 62 10.859 5.533 -5.235 1.00 0.00 C ATOM 984 O SER A 62 11.393 5.135 -6.273 1.00 0.00 O ATOM 985 CB SER A 62 11.129 7.223 -3.345 1.00 0.00 C ATOM 986 OG SER A 62 11.021 8.611 -3.004 1.00 0.00 O ATOM 0 H SER A 62 8.861 7.077 -5.241 1.00 0.00 H new ATOM 0 HA SER A 62 11.761 7.476 -5.357 1.00 0.00 H new ATOM 0 HB2 SER A 62 10.394 6.646 -2.783 1.00 0.00 H new ATOM 0 HB3 SER A 62 12.113 6.848 -3.062 1.00 0.00 H new ATOM 0 HG SER A 62 11.163 8.723 -2.041 1.00 0.00 H new ATOM 992 N GLY A 63 10.165 4.740 -4.447 1.00 0.00 N ATOM 993 CA GLY A 63 10.032 3.346 -4.750 1.00 0.00 C ATOM 994 C GLY A 63 8.695 3.022 -5.383 1.00 0.00 C ATOM 995 O GLY A 63 7.791 3.847 -5.356 1.00 0.00 O ATOM 0 H GLY A 63 9.689 5.042 -3.597 1.00 0.00 H new ATOM 0 HA2 GLY A 63 10.834 3.045 -5.424 1.00 0.00 H new ATOM 0 HA3 GLY A 63 10.149 2.765 -3.836 1.00 0.00 H new ATOM 999 N ILE A 64 8.605 1.810 -5.980 1.00 0.00 N ATOM 1000 CA ILE A 64 7.391 1.221 -6.653 1.00 0.00 C ATOM 1001 C ILE A 64 6.644 2.097 -7.655 1.00 0.00 C ATOM 1002 O ILE A 64 5.587 1.685 -8.137 1.00 0.00 O ATOM 1003 CB ILE A 64 6.346 0.542 -5.710 1.00 0.00 C ATOM 1004 CG1 ILE A 64 5.938 1.407 -4.501 1.00 0.00 C ATOM 1005 CG2 ILE A 64 6.739 -0.863 -5.330 1.00 0.00 C ATOM 1006 CD1 ILE A 64 4.875 0.784 -3.618 1.00 0.00 C ATOM 0 H ILE A 64 9.404 1.177 -6.015 1.00 0.00 H new ATOM 0 HA ILE A 64 7.905 0.449 -7.226 1.00 0.00 H new ATOM 0 HB ILE A 64 5.436 0.455 -6.303 1.00 0.00 H new ATOM 0 HG12 ILE A 64 6.823 1.607 -3.897 1.00 0.00 H new ATOM 0 HG13 ILE A 64 5.575 2.369 -4.863 1.00 0.00 H new ATOM 0 HG21 ILE A 64 5.979 -1.289 -4.674 1.00 0.00 H new ATOM 0 HG22 ILE A 64 6.825 -1.473 -6.229 1.00 0.00 H new ATOM 0 HG23 ILE A 64 7.697 -0.845 -4.811 1.00 0.00 H new ATOM 0 HD11 ILE A 64 4.647 1.458 -2.792 1.00 0.00 H new ATOM 0 HD12 ILE A 64 3.972 0.609 -4.203 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.240 -0.164 -3.222 1.00 0.00 H new ATOM 1018 N PHE A 65 7.196 3.236 -8.028 1.00 0.00 N ATOM 1019 CA PHE A 65 6.508 4.140 -8.929 1.00 0.00 C ATOM 1020 C PHE A 65 6.316 3.510 -10.307 1.00 0.00 C ATOM 1021 O PHE A 65 7.279 3.364 -11.080 1.00 0.00 O ATOM 1022 CB PHE A 65 7.236 5.476 -9.055 1.00 0.00 C ATOM 1023 CG PHE A 65 6.330 6.538 -9.582 1.00 0.00 C ATOM 1024 CD1 PHE A 65 5.544 7.229 -8.710 1.00 0.00 C ATOM 1025 CD2 PHE A 65 6.230 6.814 -10.935 1.00 0.00 C ATOM 1026 CE1 PHE A 65 4.675 8.170 -9.128 1.00 0.00 C ATOM 1027 CE2 PHE A 65 5.342 7.774 -11.386 1.00 0.00 C ATOM 1028 CZ PHE A 65 4.557 8.457 -10.473 1.00 0.00 C ATOM 0 H PHE A 65 8.115 3.556 -7.722 1.00 0.00 H new ATOM 0 HA PHE A 65 5.526 4.331 -8.497 1.00 0.00 H new ATOM 0 HB2 PHE A 65 7.623 5.775 -8.081 1.00 0.00 H new ATOM 0 HB3 PHE A 65 8.094 5.364 -9.718 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.620 7.017 -7.654 1.00 0.00 H new ATOM 0 HD2 PHE A 65 6.847 6.278 -11.641 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.069 8.701 -8.409 1.00 0.00 H new ATOM 0 HE2 PHE A 65 5.262 7.989 -12.441 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.858 9.208 -10.810 1.00 0.00 H new ATOM 1038 N GLY A 66 5.099 3.102 -10.580 1.00 0.00 N ATOM 1039 CA GLY A 66 4.766 2.487 -11.846 1.00 0.00 C ATOM 1040 C GLY A 66 5.281 1.064 -11.946 1.00 0.00 C ATOM 1041 O GLY A 66 5.683 0.617 -13.012 1.00 0.00 O ATOM 0 H GLY A 66 4.314 3.186 -9.935 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.684 2.490 -11.975 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.186 3.081 -12.658 1.00 0.00 H new ATOM 1045 N LYS A 67 5.379 0.390 -10.813 1.00 0.00 N ATOM 1046 CA LYS A 67 5.794 -1.006 -10.769 1.00 0.00 C ATOM 1047 C LYS A 67 4.598 -1.945 -10.773 1.00 0.00 C ATOM 1048 O LYS A 67 4.720 -3.110 -11.117 1.00 0.00 O ATOM 1049 CB LYS A 67 6.675 -1.253 -9.541 1.00 0.00 C ATOM 1050 CG LYS A 67 8.195 -0.962 -9.678 1.00 0.00 C ATOM 1051 CD LYS A 67 8.576 0.405 -10.284 1.00 0.00 C ATOM 1052 CE LYS A 67 8.614 0.370 -11.822 1.00 0.00 C ATOM 1053 NZ LYS A 67 8.887 1.703 -12.408 1.00 0.00 N ATOM 0 H LYS A 67 5.174 0.792 -9.898 1.00 0.00 H new ATOM 0 HA LYS A 67 6.374 -1.216 -11.668 1.00 0.00 H new ATOM 0 HB2 LYS A 67 6.289 -0.646 -8.722 1.00 0.00 H new ATOM 0 HB3 LYS A 67 6.557 -2.296 -9.247 1.00 0.00 H new ATOM 0 HG2 LYS A 67 8.648 -1.037 -8.690 1.00 0.00 H new ATOM 0 HG3 LYS A 67 8.639 -1.745 -10.293 1.00 0.00 H new ATOM 0 HD2 LYS A 67 7.859 1.158 -9.957 1.00 0.00 H new ATOM 0 HD3 LYS A 67 9.552 0.709 -9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 67 9.381 -0.332 -12.148 1.00 0.00 H new ATOM 0 HE3 LYS A 67 7.661 -0.002 -12.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 8.853 1.640 -13.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 8.170 2.381 -12.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 9.830 2.026 -12.112 1.00 0.00 H new ATOM 1067 N GLY A 68 3.451 -1.431 -10.426 1.00 0.00 N ATOM 1068 CA GLY A 68 2.275 -2.248 -10.373 1.00 0.00 C ATOM 1069 C GLY A 68 1.166 -1.662 -11.185 1.00 0.00 C ATOM 1070 O GLY A 68 0.013 -1.754 -10.817 1.00 0.00 O ATOM 0 H GLY A 68 3.307 -0.452 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 68 2.508 -3.247 -10.740 1.00 0.00 H new ATOM 0 HA3 GLY A 68 1.952 -2.356 -9.338 1.00 0.00 H new ATOM 1074 N SER A 69 1.517 -1.114 -12.323 1.00 0.00 N ATOM 1075 CA SER A 69 0.587 -0.445 -13.226 1.00 0.00 C ATOM 1076 C SER A 69 -0.351 -1.439 -13.929 1.00 0.00 C ATOM 1077 O SER A 69 -1.172 -1.057 -14.748 1.00 0.00 O ATOM 1078 CB SER A 69 1.397 0.332 -14.254 1.00 0.00 C ATOM 1079 OG SER A 69 2.348 1.157 -13.600 1.00 0.00 O ATOM 0 H SER A 69 2.479 -1.116 -12.663 1.00 0.00 H new ATOM 0 HA SER A 69 -0.045 0.227 -12.646 1.00 0.00 H new ATOM 0 HB2 SER A 69 1.905 -0.359 -14.927 1.00 0.00 H new ATOM 0 HB3 SER A 69 0.733 0.943 -14.866 1.00 0.00 H new ATOM 0 HG SER A 69 1.932 2.012 -13.364 1.00 0.00 H new ATOM 1085 N ALA A 70 -0.212 -2.708 -13.600 1.00 0.00 N ATOM 1086 CA ALA A 70 -1.060 -3.724 -14.167 1.00 0.00 C ATOM 1087 C ALA A 70 -2.172 -4.073 -13.200 1.00 0.00 C ATOM 1088 O ALA A 70 -2.961 -4.983 -13.434 1.00 0.00 O ATOM 1089 CB ALA A 70 -0.259 -4.950 -14.574 1.00 0.00 C ATOM 0 H ALA A 70 0.484 -3.056 -12.940 1.00 0.00 H new ATOM 0 HA ALA A 70 -1.514 -3.330 -15.076 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -0.929 -5.698 -14.998 1.00 0.00 H new ATOM 0 HB2 ALA A 70 0.487 -4.667 -15.317 1.00 0.00 H new ATOM 0 HB3 ALA A 70 0.241 -5.365 -13.699 1.00 0.00 H new ATOM 1095 N TYR A 71 -2.210 -3.358 -12.117 1.00 0.00 N ATOM 1096 CA TYR A 71 -3.264 -3.513 -11.151 1.00 0.00 C ATOM 1097 C TYR A 71 -4.321 -2.494 -11.425 1.00 0.00 C ATOM 1098 O TYR A 71 -4.017 -1.401 -11.896 1.00 0.00 O ATOM 1099 CB TYR A 71 -2.750 -3.280 -9.723 1.00 0.00 C ATOM 1100 CG TYR A 71 -1.913 -4.392 -9.125 1.00 0.00 C ATOM 1101 CD1 TYR A 71 -0.708 -4.785 -9.695 1.00 0.00 C ATOM 1102 CD2 TYR A 71 -2.331 -5.035 -7.963 1.00 0.00 C ATOM 1103 CE1 TYR A 71 0.056 -5.786 -9.131 1.00 0.00 C ATOM 1104 CE2 TYR A 71 -1.571 -6.039 -7.393 1.00 0.00 C ATOM 1105 CZ TYR A 71 -0.379 -6.409 -7.982 1.00 0.00 C ATOM 1106 OH TYR A 71 0.382 -7.405 -7.418 1.00 0.00 O ATOM 0 H TYR A 71 -1.515 -2.652 -11.875 1.00 0.00 H new ATOM 0 HA TYR A 71 -3.652 -4.528 -11.232 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -2.159 -2.364 -9.717 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -3.608 -3.110 -9.073 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -0.363 -4.298 -10.595 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -3.263 -4.745 -7.500 1.00 0.00 H new ATOM 0 HE1 TYR A 71 0.990 -6.079 -9.588 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -1.908 -6.531 -6.492 1.00 0.00 H new ATOM 0 HH TYR A 71 0.243 -7.413 -6.448 1.00 0.00 H new ATOM 1116 N SER A 72 -5.548 -2.832 -11.164 1.00 0.00 N ATOM 1117 CA SER A 72 -6.568 -1.851 -11.197 1.00 0.00 C ATOM 1118 C SER A 72 -6.399 -1.056 -9.920 1.00 0.00 C ATOM 1119 O SER A 72 -5.928 -1.604 -8.896 1.00 0.00 O ATOM 1120 CB SER A 72 -7.968 -2.492 -11.319 1.00 0.00 C ATOM 1121 OG SER A 72 -9.021 -1.544 -11.215 1.00 0.00 O ATOM 0 H SER A 72 -5.857 -3.775 -10.928 1.00 0.00 H new ATOM 0 HA SER A 72 -6.486 -1.205 -12.071 1.00 0.00 H new ATOM 0 HB2 SER A 72 -8.044 -3.008 -12.276 1.00 0.00 H new ATOM 0 HB3 SER A 72 -8.086 -3.246 -10.540 1.00 0.00 H new ATOM 0 HG SER A 72 -9.883 -2.002 -11.301 1.00 0.00 H new ATOM 1127 N ARG A 73 -6.752 0.208 -9.980 1.00 0.00 N ATOM 1128 CA ARG A 73 -6.534 1.170 -8.898 1.00 0.00 C ATOM 1129 C ARG A 73 -7.051 0.609 -7.578 1.00 0.00 C ATOM 1130 O ARG A 73 -6.342 0.571 -6.568 1.00 0.00 O ATOM 1131 CB ARG A 73 -7.268 2.477 -9.259 1.00 0.00 C ATOM 1132 CG ARG A 73 -6.566 3.780 -8.859 1.00 0.00 C ATOM 1133 CD ARG A 73 -6.466 4.011 -7.359 1.00 0.00 C ATOM 1134 NE ARG A 73 -5.752 5.272 -7.088 1.00 0.00 N ATOM 1135 CZ ARG A 73 -5.862 6.023 -5.984 1.00 0.00 C ATOM 1136 NH1 ARG A 73 -6.651 5.646 -4.974 1.00 0.00 N ATOM 1137 NH2 ARG A 73 -5.169 7.164 -5.897 1.00 0.00 N ATOM 0 H ARG A 73 -7.209 0.615 -10.796 1.00 0.00 H new ATOM 0 HA ARG A 73 -5.468 1.366 -8.779 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -7.431 2.492 -10.337 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -8.251 2.459 -8.789 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.561 3.780 -9.281 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -7.100 4.618 -9.307 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -7.464 4.047 -6.921 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.942 3.179 -6.889 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.113 5.605 -7.810 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -7.180 4.776 -5.037 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.725 6.228 -4.140 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.565 7.454 -6.666 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -5.245 7.744 -5.061 1.00 0.00 H new ATOM 1151 N HIS A 74 -8.221 0.043 -7.633 1.00 0.00 N ATOM 1152 CA HIS A 74 -8.864 -0.384 -6.432 1.00 0.00 C ATOM 1153 C HIS A 74 -8.403 -1.784 -6.001 1.00 0.00 C ATOM 1154 O HIS A 74 -8.629 -2.178 -4.870 1.00 0.00 O ATOM 1155 CB HIS A 74 -10.388 -0.297 -6.557 1.00 0.00 C ATOM 1156 CG HIS A 74 -11.083 -0.222 -5.229 1.00 0.00 C ATOM 1157 ND1 HIS A 74 -11.644 -1.299 -4.608 1.00 0.00 N ATOM 1158 CD2 HIS A 74 -11.291 0.827 -4.406 1.00 0.00 C ATOM 1159 CE1 HIS A 74 -12.169 -0.940 -3.470 1.00 0.00 C ATOM 1160 NE2 HIS A 74 -11.970 0.356 -3.311 1.00 0.00 N ATOM 0 H HIS A 74 -8.744 -0.131 -8.491 1.00 0.00 H new ATOM 0 HA HIS A 74 -8.562 0.301 -5.640 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -10.649 0.581 -7.147 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -10.752 -1.167 -7.103 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -10.981 1.847 -4.577 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -12.679 -1.591 -2.776 1.00 0.00 H new ATOM 0 HE2 HIS A 74 -12.270 0.912 -2.510 1.00 0.00 H new ATOM 1169 N ASN A 75 -7.701 -2.514 -6.885 1.00 0.00 N ATOM 1170 CA ASN A 75 -7.212 -3.868 -6.526 1.00 0.00 C ATOM 1171 C ASN A 75 -6.111 -3.699 -5.551 1.00 0.00 C ATOM 1172 O ASN A 75 -6.055 -4.366 -4.523 1.00 0.00 O ATOM 1173 CB ASN A 75 -6.629 -4.682 -7.711 1.00 0.00 C ATOM 1174 CG ASN A 75 -7.504 -4.786 -8.921 1.00 0.00 C ATOM 1175 OD1 ASN A 75 -7.011 -5.017 -10.021 1.00 0.00 O ATOM 1176 ND2 ASN A 75 -8.760 -4.548 -8.759 1.00 0.00 N ATOM 0 H ASN A 75 -7.462 -2.206 -7.828 1.00 0.00 H new ATOM 0 HA ASN A 75 -8.075 -4.416 -6.147 1.00 0.00 H new ATOM 0 HB2 ASN A 75 -5.683 -4.230 -8.008 1.00 0.00 H new ATOM 0 HB3 ASN A 75 -6.405 -5.689 -7.360 1.00 0.00 H new ATOM 0 HD21 ASN A 75 -9.387 -4.547 -9.564 1.00 0.00 H new ATOM 0 HD22 ASN A 75 -9.127 -4.361 -7.826 1.00 0.00 H new ATOM 1183 N ALA A 76 -5.238 -2.770 -5.871 1.00 0.00 N ATOM 1184 CA ALA A 76 -4.118 -2.457 -5.038 1.00 0.00 C ATOM 1185 C ALA A 76 -4.616 -1.905 -3.702 1.00 0.00 C ATOM 1186 O ALA A 76 -4.125 -2.296 -2.644 1.00 0.00 O ATOM 1187 CB ALA A 76 -3.211 -1.486 -5.756 1.00 0.00 C ATOM 0 H ALA A 76 -5.293 -2.212 -6.723 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.537 -3.355 -4.828 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -2.358 -1.248 -5.121 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -2.858 -1.936 -6.684 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -3.762 -0.573 -5.982 1.00 0.00 H new ATOM 1193 N GLU A 77 -5.641 -1.049 -3.760 1.00 0.00 N ATOM 1194 CA GLU A 77 -6.269 -0.510 -2.533 1.00 0.00 C ATOM 1195 C GLU A 77 -6.866 -1.651 -1.686 1.00 0.00 C ATOM 1196 O GLU A 77 -6.769 -1.660 -0.448 1.00 0.00 O ATOM 1197 CB GLU A 77 -7.367 0.512 -2.884 1.00 0.00 C ATOM 1198 CG GLU A 77 -6.861 1.696 -3.688 1.00 0.00 C ATOM 1199 CD GLU A 77 -7.938 2.666 -4.098 1.00 0.00 C ATOM 1200 OE1 GLU A 77 -8.739 2.335 -4.981 1.00 0.00 O ATOM 1201 OE2 GLU A 77 -7.973 3.788 -3.553 1.00 0.00 O ATOM 0 H GLU A 77 -6.055 -0.713 -4.629 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.496 -0.006 -1.953 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -8.152 0.009 -3.448 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.820 0.877 -1.962 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -6.113 2.228 -3.100 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.360 1.327 -4.583 1.00 0.00 H new ATOM 1208 N ARG A 78 -7.403 -2.654 -2.371 1.00 0.00 N ATOM 1209 CA ARG A 78 -8.064 -3.776 -1.727 1.00 0.00 C ATOM 1210 C ARG A 78 -7.030 -4.668 -1.072 1.00 0.00 C ATOM 1211 O ARG A 78 -7.310 -5.375 -0.115 1.00 0.00 O ATOM 1212 CB ARG A 78 -8.889 -4.574 -2.760 1.00 0.00 C ATOM 1213 CG ARG A 78 -9.683 -5.739 -2.179 1.00 0.00 C ATOM 1214 CD ARG A 78 -10.511 -6.451 -3.241 1.00 0.00 C ATOM 1215 NE ARG A 78 -9.692 -7.128 -4.278 1.00 0.00 N ATOM 1216 CZ ARG A 78 -10.203 -7.633 -5.421 1.00 0.00 C ATOM 1217 NH1 ARG A 78 -11.470 -7.438 -5.719 1.00 0.00 N ATOM 1218 NH2 ARG A 78 -9.438 -8.285 -6.286 1.00 0.00 N ATOM 0 H ARG A 78 -7.391 -2.710 -3.389 1.00 0.00 H new ATOM 0 HA ARG A 78 -8.743 -3.401 -0.962 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -9.580 -3.893 -3.257 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -8.214 -4.958 -3.525 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -8.998 -6.450 -1.716 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -10.341 -5.372 -1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -11.151 -7.188 -2.757 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -11.168 -5.727 -3.724 1.00 0.00 H new ATOM 0 HE ARG A 78 -8.688 -7.216 -4.118 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -12.067 -6.905 -5.086 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -11.855 -7.820 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -8.445 -8.412 -6.093 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -9.843 -8.659 -7.144 1.00 0.00 H new ATOM 1232 N LEU A 79 -5.827 -4.597 -1.567 1.00 0.00 N ATOM 1233 CA LEU A 79 -4.768 -5.399 -1.067 1.00 0.00 C ATOM 1234 C LEU A 79 -4.224 -4.808 0.186 1.00 0.00 C ATOM 1235 O LEU A 79 -3.989 -5.521 1.152 1.00 0.00 O ATOM 1236 CB LEU A 79 -3.705 -5.513 -2.086 1.00 0.00 C ATOM 1237 CG LEU A 79 -2.693 -6.603 -1.873 1.00 0.00 C ATOM 1238 CD1 LEU A 79 -2.024 -6.766 -3.110 1.00 0.00 C ATOM 1239 CD2 LEU A 79 -1.649 -6.275 -0.856 1.00 0.00 C ATOM 0 H LEU A 79 -5.561 -3.976 -2.331 1.00 0.00 H new ATOM 0 HA LEU A 79 -5.150 -6.395 -0.842 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -4.176 -5.669 -3.056 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.177 -4.561 -2.137 1.00 0.00 H new ATOM 0 HG LEU A 79 -3.223 -7.486 -1.517 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -1.272 -7.550 -3.017 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.744 -7.044 -3.879 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.540 -5.830 -3.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -0.958 -7.112 -0.761 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -1.102 -5.386 -1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -2.125 -6.087 0.106 1.00 0.00 H new ATOM 1251 N PHE A 80 -4.022 -3.505 0.193 1.00 0.00 N ATOM 1252 CA PHE A 80 -3.581 -2.843 1.405 1.00 0.00 C ATOM 1253 C PHE A 80 -4.645 -2.997 2.469 1.00 0.00 C ATOM 1254 O PHE A 80 -4.368 -2.965 3.662 1.00 0.00 O ATOM 1255 CB PHE A 80 -3.237 -1.373 1.173 1.00 0.00 C ATOM 1256 CG PHE A 80 -1.988 -1.154 0.370 1.00 0.00 C ATOM 1257 CD1 PHE A 80 -0.744 -1.304 0.959 1.00 0.00 C ATOM 1258 CD2 PHE A 80 -2.051 -0.800 -0.960 1.00 0.00 C ATOM 1259 CE1 PHE A 80 0.410 -1.102 0.231 1.00 0.00 C ATOM 1260 CE2 PHE A 80 -0.902 -0.596 -1.695 1.00 0.00 C ATOM 1261 CZ PHE A 80 0.329 -0.746 -1.099 1.00 0.00 C ATOM 0 H PHE A 80 -4.153 -2.892 -0.612 1.00 0.00 H new ATOM 0 HA PHE A 80 -2.659 -3.319 1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -4.072 -0.892 0.664 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -3.126 -0.880 2.139 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -0.676 -1.582 2.000 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.014 -0.681 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 80 1.375 -1.222 0.701 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.968 -0.319 -2.737 1.00 0.00 H new ATOM 0 HZ PHE A 80 1.230 -0.585 -1.672 1.00 0.00 H new ATOM 1271 N LYS A 81 -5.848 -3.258 2.013 1.00 0.00 N ATOM 1272 CA LYS A 81 -6.955 -3.505 2.920 1.00 0.00 C ATOM 1273 C LYS A 81 -6.952 -4.954 3.397 1.00 0.00 C ATOM 1274 O LYS A 81 -7.353 -5.257 4.516 1.00 0.00 O ATOM 1275 CB LYS A 81 -8.294 -3.072 2.322 1.00 0.00 C ATOM 1276 CG LYS A 81 -8.644 -1.615 2.628 1.00 0.00 C ATOM 1277 CD LYS A 81 -9.155 -1.473 4.072 1.00 0.00 C ATOM 1278 CE LYS A 81 -9.398 -0.017 4.493 1.00 0.00 C ATOM 1279 NZ LYS A 81 -8.142 0.724 4.735 1.00 0.00 N ATOM 0 H LYS A 81 -6.089 -3.306 1.023 1.00 0.00 H new ATOM 0 HA LYS A 81 -6.815 -2.881 3.803 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -8.265 -3.213 1.242 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -9.083 -3.718 2.707 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -7.765 -0.986 2.484 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -9.405 -1.264 1.931 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -10.084 -2.034 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -8.432 -1.924 4.751 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -9.971 0.491 3.717 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -10.005 -0.001 5.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -8.362 1.661 5.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -7.551 0.195 5.408 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -7.628 0.838 3.838 1.00 0.00 H new ATOM 1293 N LYS A 82 -6.423 -5.825 2.570 1.00 0.00 N ATOM 1294 CA LYS A 82 -6.261 -7.216 2.922 1.00 0.00 C ATOM 1295 C LYS A 82 -5.170 -7.298 3.977 1.00 0.00 C ATOM 1296 O LYS A 82 -5.313 -7.944 5.003 1.00 0.00 O ATOM 1297 CB LYS A 82 -5.908 -8.012 1.644 1.00 0.00 C ATOM 1298 CG LYS A 82 -5.343 -9.410 1.844 1.00 0.00 C ATOM 1299 CD LYS A 82 -6.243 -10.312 2.660 1.00 0.00 C ATOM 1300 CE LYS A 82 -5.615 -11.680 2.763 1.00 0.00 C ATOM 1301 NZ LYS A 82 -6.298 -12.562 3.716 1.00 0.00 N ATOM 0 H LYS A 82 -6.093 -5.589 1.634 1.00 0.00 H new ATOM 0 HA LYS A 82 -7.173 -7.648 3.333 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.808 -8.093 1.034 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -5.185 -7.432 1.071 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -5.171 -9.867 0.869 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -4.374 -9.335 2.337 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -6.393 -9.892 3.655 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -7.225 -10.384 2.193 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -5.618 -12.148 1.779 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -4.572 -11.572 3.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -6.044 -13.551 3.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -6.008 -12.318 4.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -7.327 -12.443 3.623 1.00 0.00 H new ATOM 1315 N LEU A 83 -4.117 -6.564 3.734 1.00 0.00 N ATOM 1316 CA LEU A 83 -3.011 -6.489 4.638 1.00 0.00 C ATOM 1317 C LEU A 83 -3.375 -5.915 5.994 1.00 0.00 C ATOM 1318 O LEU A 83 -2.797 -6.316 7.005 1.00 0.00 O ATOM 1319 CB LEU A 83 -1.923 -5.705 4.020 1.00 0.00 C ATOM 1320 CG LEU A 83 -1.374 -6.333 2.775 1.00 0.00 C ATOM 1321 CD1 LEU A 83 -0.419 -5.417 2.129 1.00 0.00 C ATOM 1322 CD2 LEU A 83 -0.715 -7.672 3.072 1.00 0.00 C ATOM 0 H LEU A 83 -4.006 -5.997 2.893 1.00 0.00 H new ATOM 0 HA LEU A 83 -2.681 -7.511 4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.293 -4.707 3.783 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.117 -5.583 4.743 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.204 -6.520 2.094 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.025 -5.881 1.225 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.926 -4.488 1.869 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.401 -5.203 2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -0.328 -8.100 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 83 0.105 -7.526 3.776 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -1.449 -8.351 3.506 1.00 0.00 H new ATOM 1334 N ILE A 84 -4.320 -4.971 6.042 1.00 0.00 N ATOM 1335 CA ILE A 84 -4.722 -4.420 7.323 1.00 0.00 C ATOM 1336 C ILE A 84 -5.600 -5.380 8.087 1.00 0.00 C ATOM 1337 O ILE A 84 -5.655 -5.319 9.301 1.00 0.00 O ATOM 1338 CB ILE A 84 -5.354 -2.985 7.252 1.00 0.00 C ATOM 1339 CG1 ILE A 84 -6.668 -2.904 6.457 1.00 0.00 C ATOM 1340 CG2 ILE A 84 -4.361 -1.990 6.731 1.00 0.00 C ATOM 1341 CD1 ILE A 84 -7.921 -3.281 7.235 1.00 0.00 C ATOM 0 H ILE A 84 -4.804 -4.587 5.230 1.00 0.00 H new ATOM 0 HA ILE A 84 -3.793 -4.286 7.877 1.00 0.00 H new ATOM 0 HB ILE A 84 -5.618 -2.737 8.280 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -6.785 -1.887 6.082 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -6.589 -3.557 5.588 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -4.822 -1.003 6.691 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -3.495 -1.960 7.392 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -4.043 -2.283 5.730 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -8.793 -3.191 6.587 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -7.835 -4.309 7.587 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -8.034 -2.613 8.089 1.00 0.00 H new ATOM 1353 N LEU A 85 -6.290 -6.254 7.370 1.00 0.00 N ATOM 1354 CA LEU A 85 -7.098 -7.274 8.001 1.00 0.00 C ATOM 1355 C LEU A 85 -6.222 -8.339 8.628 1.00 0.00 C ATOM 1356 O LEU A 85 -6.371 -8.672 9.803 1.00 0.00 O ATOM 1357 CB LEU A 85 -8.061 -7.886 7.004 1.00 0.00 C ATOM 1358 CG LEU A 85 -9.208 -6.979 6.638 1.00 0.00 C ATOM 1359 CD1 LEU A 85 -9.904 -7.467 5.378 1.00 0.00 C ATOM 1360 CD2 LEU A 85 -10.212 -6.900 7.784 1.00 0.00 C ATOM 0 H LEU A 85 -6.303 -6.273 6.350 1.00 0.00 H new ATOM 0 HA LEU A 85 -7.682 -6.806 8.794 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -7.514 -8.150 6.099 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -8.459 -8.813 7.418 1.00 0.00 H new ATOM 0 HG LEU A 85 -8.803 -5.985 6.450 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -10.728 -6.796 5.134 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -9.193 -7.483 4.552 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.291 -8.473 5.542 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -11.034 -6.241 7.503 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.601 -7.896 7.996 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -9.719 -6.507 8.673 1.00 0.00 H new ATOM 1372 N ASP A 86 -5.270 -8.819 7.842 1.00 0.00 N ATOM 1373 CA ASP A 86 -4.332 -9.868 8.263 1.00 0.00 C ATOM 1374 C ASP A 86 -3.293 -9.322 9.246 1.00 0.00 C ATOM 1375 O ASP A 86 -2.538 -10.079 9.859 1.00 0.00 O ATOM 1376 CB ASP A 86 -3.671 -10.537 7.041 1.00 0.00 C ATOM 1377 CG ASP A 86 -4.642 -11.383 6.206 1.00 0.00 C ATOM 1378 OD1 ASP A 86 -5.703 -10.878 5.795 1.00 0.00 O ATOM 1379 OD2 ASP A 86 -4.330 -12.538 5.892 1.00 0.00 O ATOM 0 H ASP A 86 -5.119 -8.495 6.887 1.00 0.00 H new ATOM 0 HA ASP A 86 -4.897 -10.636 8.790 1.00 0.00 H new ATOM 0 HB2 ASP A 86 -3.235 -9.766 6.406 1.00 0.00 H new ATOM 0 HB3 ASP A 86 -2.851 -11.170 7.382 1.00 0.00 H new ATOM 1384 N LYS A 87 -3.220 -7.975 9.319 1.00 0.00 N ATOM 1385 CA LYS A 87 -2.508 -7.224 10.339 1.00 0.00 C ATOM 1386 C LYS A 87 -1.049 -7.076 10.018 1.00 0.00 C ATOM 1387 O LYS A 87 -0.240 -6.672 10.853 1.00 0.00 O ATOM 1388 CB LYS A 87 -2.705 -7.796 11.723 1.00 0.00 C ATOM 1389 CG LYS A 87 -2.658 -6.737 12.794 1.00 0.00 C ATOM 1390 CD LYS A 87 -4.024 -6.181 13.211 1.00 0.00 C ATOM 1391 CE LYS A 87 -4.742 -5.441 12.101 1.00 0.00 C ATOM 1392 NZ LYS A 87 -3.950 -4.314 11.556 1.00 0.00 N ATOM 0 H LYS A 87 -3.678 -7.371 8.636 1.00 0.00 H new ATOM 0 HA LYS A 87 -2.948 -6.227 10.338 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -3.665 -8.311 11.767 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -1.934 -8.541 11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -2.167 -7.152 13.674 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -2.038 -5.912 12.442 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -4.652 -7.003 13.554 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -3.890 -5.508 14.058 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.974 -6.139 11.296 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -5.692 -5.062 12.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -4.527 -3.449 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.103 -4.170 12.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -3.663 -4.531 10.580 1.00 0.00 H new ATOM 1406 N ILE A 88 -0.723 -7.384 8.794 1.00 0.00 N ATOM 1407 CA ILE A 88 0.576 -7.104 8.250 1.00 0.00 C ATOM 1408 C ILE A 88 0.714 -5.583 8.201 1.00 0.00 C ATOM 1409 O ILE A 88 1.743 -5.007 8.563 1.00 0.00 O ATOM 1410 CB ILE A 88 0.730 -7.735 6.820 1.00 0.00 C ATOM 1411 CG1 ILE A 88 1.005 -9.257 6.876 1.00 0.00 C ATOM 1412 CG2 ILE A 88 1.809 -7.047 5.993 1.00 0.00 C ATOM 1413 CD1 ILE A 88 -0.122 -10.113 7.397 1.00 0.00 C ATOM 0 H ILE A 88 -1.358 -7.841 8.140 1.00 0.00 H new ATOM 0 HA ILE A 88 1.361 -7.541 8.868 1.00 0.00 H new ATOM 0 HB ILE A 88 -0.230 -7.577 6.328 1.00 0.00 H new ATOM 0 HG12 ILE A 88 1.259 -9.597 5.872 1.00 0.00 H new ATOM 0 HG13 ILE A 88 1.882 -9.425 7.501 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.875 -7.521 5.014 1.00 0.00 H new ATOM 0 HG22 ILE A 88 1.557 -5.994 5.870 1.00 0.00 H new ATOM 0 HG23 ILE A 88 2.768 -7.133 6.503 1.00 0.00 H new ATOM 0 HD11 ILE A 88 0.183 -11.159 7.391 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.367 -9.812 8.416 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -0.998 -9.987 6.761 1.00 0.00 H new ATOM 1425 N LEU A 89 -0.368 -4.959 7.795 1.00 0.00 N ATOM 1426 CA LEU A 89 -0.480 -3.531 7.780 1.00 0.00 C ATOM 1427 C LEU A 89 -1.332 -3.056 8.933 1.00 0.00 C ATOM 1428 O LEU A 89 -2.274 -3.758 9.368 1.00 0.00 O ATOM 1429 CB LEU A 89 -1.086 -3.055 6.461 1.00 0.00 C ATOM 1430 CG LEU A 89 -0.123 -2.576 5.391 1.00 0.00 C ATOM 1431 CD1 LEU A 89 0.518 -1.298 5.854 1.00 0.00 C ATOM 1432 CD2 LEU A 89 0.933 -3.620 5.113 1.00 0.00 C ATOM 0 H LEU A 89 -1.203 -5.442 7.463 1.00 0.00 H new ATOM 0 HA LEU A 89 0.521 -3.111 7.881 1.00 0.00 H new ATOM 0 HB2 LEU A 89 -1.675 -3.872 6.045 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -1.779 -2.243 6.681 1.00 0.00 H new ATOM 0 HG LEU A 89 -0.671 -2.401 4.465 1.00 0.00 H new ATOM 0 HD11 LEU A 89 1.213 -0.943 5.093 1.00 0.00 H new ATOM 0 HD12 LEU A 89 -0.252 -0.545 6.022 1.00 0.00 H new ATOM 0 HD13 LEU A 89 1.058 -1.478 6.783 1.00 0.00 H new ATOM 0 HD21 LEU A 89 1.612 -3.255 4.343 1.00 0.00 H new ATOM 0 HD22 LEU A 89 1.494 -3.822 6.025 1.00 0.00 H new ATOM 0 HD23 LEU A 89 0.456 -4.538 4.770 1.00 0.00 H new ATOM 1444 N ASP A 90 -1.013 -1.892 9.423 1.00 0.00 N ATOM 1445 CA ASP A 90 -1.754 -1.259 10.484 1.00 0.00 C ATOM 1446 C ASP A 90 -2.021 0.179 10.119 1.00 0.00 C ATOM 1447 O ASP A 90 -1.122 0.902 9.726 1.00 0.00 O ATOM 1448 CB ASP A 90 -1.041 -1.370 11.862 1.00 0.00 C ATOM 1449 CG ASP A 90 -1.243 -2.728 12.529 1.00 0.00 C ATOM 1450 OD1 ASP A 90 -2.360 -2.974 13.053 1.00 0.00 O ATOM 1451 OD2 ASP A 90 -0.322 -3.573 12.504 1.00 0.00 O ATOM 0 H ASP A 90 -0.218 -1.345 9.093 1.00 0.00 H new ATOM 0 HA ASP A 90 -2.701 -1.787 10.594 1.00 0.00 H new ATOM 0 HB2 ASP A 90 0.026 -1.192 11.728 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -1.415 -0.588 12.523 1.00 0.00 H new ATOM 1456 N GLU A 91 -3.247 0.577 10.193 1.00 0.00 N ATOM 1457 CA GLU A 91 -3.617 1.938 9.868 1.00 0.00 C ATOM 1458 C GLU A 91 -3.659 2.798 11.109 1.00 0.00 C ATOM 1459 O GLU A 91 -4.150 2.380 12.162 1.00 0.00 O ATOM 1460 CB GLU A 91 -4.959 1.993 9.124 1.00 0.00 C ATOM 1461 CG GLU A 91 -4.896 1.360 7.752 1.00 0.00 C ATOM 1462 CD GLU A 91 -6.219 1.356 7.007 1.00 0.00 C ATOM 1463 OE1 GLU A 91 -6.511 2.314 6.264 1.00 0.00 O ATOM 1464 OE2 GLU A 91 -6.959 0.349 7.075 1.00 0.00 O ATOM 0 H GLU A 91 -4.025 -0.018 10.477 1.00 0.00 H new ATOM 0 HA GLU A 91 -2.851 2.335 9.202 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -5.719 1.486 9.718 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -5.272 3.032 9.025 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.156 1.891 7.153 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -4.546 0.333 7.854 1.00 0.00 H new ATOM 1471 N ASP A 92 -3.127 3.976 10.969 1.00 0.00 N ATOM 1472 CA ASP A 92 -3.047 4.959 12.033 1.00 0.00 C ATOM 1473 C ASP A 92 -4.174 5.938 11.877 1.00 0.00 C ATOM 1474 O ASP A 92 -4.564 6.264 10.755 1.00 0.00 O ATOM 1475 CB ASP A 92 -1.705 5.696 11.972 1.00 0.00 C ATOM 1476 CG ASP A 92 -1.648 6.886 12.912 1.00 0.00 C ATOM 1477 OD1 ASP A 92 -1.738 6.676 14.135 1.00 0.00 O ATOM 1478 OD2 ASP A 92 -1.513 8.026 12.418 1.00 0.00 O ATOM 0 H ASP A 92 -2.722 4.298 10.090 1.00 0.00 H new ATOM 0 HA ASP A 92 -3.124 4.458 12.998 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.902 5.002 12.222 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -1.527 6.035 10.951 1.00 0.00 H new ATOM 1483 N LEU A 93 -4.707 6.397 12.967 1.00 0.00 N ATOM 1484 CA LEU A 93 -5.809 7.300 12.906 1.00 0.00 C ATOM 1485 C LEU A 93 -5.363 8.693 13.215 1.00 0.00 C ATOM 1486 O LEU A 93 -5.254 9.100 14.374 1.00 0.00 O ATOM 1487 CB LEU A 93 -6.956 6.894 13.813 1.00 0.00 C ATOM 1488 CG LEU A 93 -7.599 5.524 13.542 1.00 0.00 C ATOM 1489 CD1 LEU A 93 -8.700 5.243 14.551 1.00 0.00 C ATOM 1490 CD2 LEU A 93 -8.153 5.452 12.121 1.00 0.00 C ATOM 0 H LEU A 93 -4.395 6.160 13.909 1.00 0.00 H new ATOM 0 HA LEU A 93 -6.189 7.263 11.885 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -6.596 6.903 14.842 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -7.733 7.655 13.740 1.00 0.00 H new ATOM 0 HG LEU A 93 -6.826 4.763 13.646 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -9.144 4.269 14.344 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -8.280 5.244 15.557 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -9.467 6.014 14.477 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -8.602 4.473 11.955 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -8.909 6.226 11.985 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -7.344 5.606 11.407 1.00 0.00 H new ATOM 1502 N TYR A 94 -5.144 9.421 12.183 1.00 0.00 N ATOM 1503 CA TYR A 94 -4.673 10.753 12.285 1.00 0.00 C ATOM 1504 C TYR A 94 -5.823 11.659 12.118 1.00 0.00 C ATOM 1505 O TYR A 94 -6.434 11.682 11.042 1.00 0.00 O ATOM 1506 CB TYR A 94 -3.611 11.046 11.209 1.00 0.00 C ATOM 1507 CG TYR A 94 -3.299 12.530 11.010 1.00 0.00 C ATOM 1508 CD1 TYR A 94 -2.340 13.180 11.770 1.00 0.00 C ATOM 1509 CD2 TYR A 94 -3.981 13.272 10.044 1.00 0.00 C ATOM 1510 CE1 TYR A 94 -2.067 14.526 11.573 1.00 0.00 C ATOM 1511 CE2 TYR A 94 -3.721 14.605 9.846 1.00 0.00 C ATOM 1512 CZ TYR A 94 -2.765 15.230 10.606 1.00 0.00 C ATOM 1513 OH TYR A 94 -2.498 16.577 10.389 1.00 0.00 O ATOM 0 H TYR A 94 -5.290 9.102 11.225 1.00 0.00 H new ATOM 0 HA TYR A 94 -4.207 10.902 13.259 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -2.690 10.527 11.475 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -3.949 10.629 10.260 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -1.798 12.632 12.526 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -4.731 12.786 9.438 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -1.315 15.021 12.170 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -4.266 15.159 9.096 1.00 0.00 H new ATOM 0 HH TYR A 94 -3.077 16.914 9.674 1.00 0.00 H new ATOM 1523 N ILE A 95 -6.190 12.337 13.172 1.00 0.00 N ATOM 1524 CA ILE A 95 -7.195 13.311 13.087 1.00 0.00 C ATOM 1525 C ILE A 95 -6.768 14.602 13.770 1.00 0.00 C ATOM 1526 O ILE A 95 -6.058 14.579 14.772 1.00 0.00 O ATOM 1527 CB ILE A 95 -8.569 12.772 13.561 1.00 0.00 C ATOM 1528 CG1 ILE A 95 -9.687 13.614 13.033 1.00 0.00 C ATOM 1529 CG2 ILE A 95 -8.662 12.734 15.063 1.00 0.00 C ATOM 1530 CD1 ILE A 95 -10.833 12.773 12.578 1.00 0.00 C ATOM 0 H ILE A 95 -5.790 12.216 14.102 1.00 0.00 H new ATOM 0 HA ILE A 95 -7.338 13.561 12.036 1.00 0.00 H new ATOM 0 HB ILE A 95 -8.657 11.757 13.172 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -10.024 14.302 13.808 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -9.327 14.221 12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -9.639 12.351 15.357 1.00 0.00 H new ATOM 0 HG22 ILE A 95 -7.882 12.083 15.459 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -8.532 13.740 15.461 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -11.628 13.415 12.200 1.00 0.00 H new ATOM 0 HD12 ILE A 95 -10.500 12.103 11.785 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -11.208 12.185 13.416 1.00 0.00 H new ATOM 1542 N ASN A 96 -7.135 15.713 13.183 1.00 0.00 N ATOM 1543 CA ASN A 96 -6.846 17.004 13.761 1.00 0.00 C ATOM 1544 C ASN A 96 -8.074 17.505 14.471 1.00 0.00 C ATOM 1545 O ASN A 96 -9.139 16.922 14.304 1.00 0.00 O ATOM 1546 CB ASN A 96 -6.308 17.999 12.701 1.00 0.00 C ATOM 1547 CG ASN A 96 -7.093 17.988 11.399 1.00 0.00 C ATOM 1548 OD1 ASN A 96 -6.818 17.178 10.531 1.00 0.00 O ATOM 1549 ND2 ASN A 96 -8.011 18.900 11.218 1.00 0.00 N ATOM 0 H ASN A 96 -7.639 15.750 12.297 1.00 0.00 H new ATOM 0 HA ASN A 96 -6.045 16.907 14.494 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -6.327 19.006 13.118 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.266 17.762 12.489 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -8.517 18.946 10.334 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -8.222 19.566 11.961 1.00 0.00 H new ATOM 1556 N ALA A 97 -7.942 18.603 15.215 1.00 0.00 N ATOM 1557 CA ALA A 97 -9.011 19.154 16.105 1.00 0.00 C ATOM 1558 C ALA A 97 -10.242 19.716 15.354 1.00 0.00 C ATOM 1559 O ALA A 97 -10.936 20.590 15.848 1.00 0.00 O ATOM 1560 CB ALA A 97 -8.403 20.231 16.997 1.00 0.00 C ATOM 0 H ALA A 97 -7.085 19.156 15.230 1.00 0.00 H new ATOM 0 HA ALA A 97 -9.389 18.319 16.695 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -9.174 20.640 17.650 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -7.608 19.796 17.602 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -7.993 21.028 16.377 1.00 0.00 H new ATOM 1566 N ASN A 98 -10.484 19.211 14.184 1.00 0.00 N ATOM 1567 CA ASN A 98 -11.629 19.589 13.390 1.00 0.00 C ATOM 1568 C ASN A 98 -12.486 18.368 13.155 1.00 0.00 C ATOM 1569 O ASN A 98 -13.540 18.465 12.546 1.00 0.00 O ATOM 1570 CB ASN A 98 -11.191 20.163 12.034 1.00 0.00 C ATOM 1571 CG ASN A 98 -10.336 21.385 12.140 1.00 0.00 C ATOM 1572 OD1 ASN A 98 -9.107 21.288 12.252 1.00 0.00 O ATOM 1573 ND2 ASN A 98 -10.936 22.524 12.073 1.00 0.00 N ATOM 0 H ASN A 98 -9.887 18.513 13.740 1.00 0.00 H new ATOM 0 HA ASN A 98 -12.190 20.354 13.926 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -10.644 19.396 11.485 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -12.079 20.402 11.448 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -10.396 23.388 12.112 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -11.951 22.561 11.981 1.00 0.00 H new ATOM 1580 N ASP A 99 -11.980 17.198 13.619 1.00 0.00 N ATOM 1581 CA ASP A 99 -12.615 15.873 13.389 1.00 0.00 C ATOM 1582 C ASP A 99 -12.777 15.604 11.896 1.00 0.00 C ATOM 1583 O ASP A 99 -13.655 14.881 11.444 1.00 0.00 O ATOM 1584 CB ASP A 99 -13.936 15.721 14.157 1.00 0.00 C ATOM 1585 CG ASP A 99 -13.708 15.529 15.644 1.00 0.00 C ATOM 1586 OD1 ASP A 99 -13.536 16.541 16.360 1.00 0.00 O ATOM 1587 OD2 ASP A 99 -13.671 14.362 16.094 1.00 0.00 O ATOM 0 H ASP A 99 -11.119 17.145 14.164 1.00 0.00 H new ATOM 0 HA ASP A 99 -11.947 15.111 13.790 1.00 0.00 H new ATOM 0 HB2 ASP A 99 -14.553 16.605 13.996 1.00 0.00 H new ATOM 0 HB3 ASP A 99 -14.490 14.869 13.762 1.00 0.00 H new ATOM 1592 N GLN A 100 -11.823 16.121 11.152 1.00 0.00 N ATOM 1593 CA GLN A 100 -11.803 16.030 9.700 1.00 0.00 C ATOM 1594 C GLN A 100 -10.472 15.502 9.270 1.00 0.00 C ATOM 1595 O GLN A 100 -9.534 16.279 9.068 1.00 0.00 O ATOM 1596 CB GLN A 100 -11.950 17.384 9.072 1.00 0.00 C ATOM 1597 CG GLN A 100 -13.246 18.126 9.367 1.00 0.00 C ATOM 1598 CD GLN A 100 -13.286 19.513 8.734 1.00 0.00 C ATOM 1599 OE1 GLN A 100 -13.899 20.429 9.256 1.00 0.00 O ATOM 1600 NE2 GLN A 100 -12.637 19.677 7.604 1.00 0.00 N ATOM 0 H GLN A 100 -11.026 16.625 11.540 1.00 0.00 H new ATOM 0 HA GLN A 100 -12.625 15.384 9.392 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -11.117 18.006 9.400 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -11.858 17.272 7.992 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -14.088 17.539 9.000 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -13.369 18.220 10.446 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -12.132 18.895 7.188 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -12.638 20.587 7.143 1.00 0.00 H new ATOM 1609 N ALA A 101 -10.355 14.220 9.222 1.00 0.00 N ATOM 1610 CA ALA A 101 -9.099 13.584 8.912 1.00 0.00 C ATOM 1611 C ALA A 101 -9.245 12.157 8.422 1.00 0.00 C ATOM 1612 O ALA A 101 -10.363 11.661 8.289 1.00 0.00 O ATOM 1613 CB ALA A 101 -8.154 13.708 10.006 1.00 0.00 C ATOM 0 H ALA A 101 -11.123 13.572 9.395 1.00 0.00 H new ATOM 0 HA ALA A 101 -8.684 14.129 8.064 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -7.219 13.217 9.737 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -7.965 14.763 10.206 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -8.567 13.238 10.898 1.00 0.00 H new ATOM 1619 N ILE A 102 -8.113 11.498 8.160 1.00 0.00 N ATOM 1620 CA ILE A 102 -8.124 10.207 7.494 1.00 0.00 C ATOM 1621 C ILE A 102 -7.078 9.250 8.144 1.00 0.00 C ATOM 1622 O ILE A 102 -6.246 9.679 8.959 1.00 0.00 O ATOM 1623 CB ILE A 102 -7.864 10.401 5.944 1.00 0.00 C ATOM 1624 CG1 ILE A 102 -8.056 9.116 5.125 1.00 0.00 C ATOM 1625 CG2 ILE A 102 -6.497 10.979 5.673 1.00 0.00 C ATOM 1626 CD1 ILE A 102 -9.465 8.590 5.147 1.00 0.00 C ATOM 0 H ILE A 102 -7.183 11.842 8.401 1.00 0.00 H new ATOM 0 HA ILE A 102 -9.104 9.745 7.614 1.00 0.00 H new ATOM 0 HB ILE A 102 -8.624 11.111 5.616 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -7.765 9.307 4.092 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -7.385 8.348 5.508 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -6.358 11.096 4.598 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -6.410 11.951 6.158 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -5.734 10.308 6.066 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -9.524 7.682 4.547 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -9.754 8.366 6.174 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -10.140 9.341 4.736 1.00 0.00 H new ATOM 1638 N ALA A 103 -7.155 7.975 7.806 1.00 0.00 N ATOM 1639 CA ALA A 103 -6.246 6.972 8.311 1.00 0.00 C ATOM 1640 C ALA A 103 -4.972 6.930 7.469 1.00 0.00 C ATOM 1641 O ALA A 103 -5.016 7.090 6.239 1.00 0.00 O ATOM 1642 CB ALA A 103 -6.922 5.608 8.321 1.00 0.00 C ATOM 0 H ALA A 103 -7.859 7.607 7.166 1.00 0.00 H new ATOM 0 HA ALA A 103 -5.972 7.234 9.333 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.227 4.860 8.704 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -7.804 5.644 8.960 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -7.219 5.342 7.307 1.00 0.00 H new ATOM 1648 N TYR A 104 -3.856 6.747 8.126 1.00 0.00 N ATOM 1649 CA TYR A 104 -2.559 6.694 7.477 1.00 0.00 C ATOM 1650 C TYR A 104 -1.986 5.291 7.564 1.00 0.00 C ATOM 1651 O TYR A 104 -2.486 4.456 8.308 1.00 0.00 O ATOM 1652 CB TYR A 104 -1.575 7.717 8.081 1.00 0.00 C ATOM 1653 CG TYR A 104 -1.848 9.180 7.732 1.00 0.00 C ATOM 1654 CD1 TYR A 104 -3.127 9.713 7.759 1.00 0.00 C ATOM 1655 CD2 TYR A 104 -0.804 10.027 7.388 1.00 0.00 C ATOM 1656 CE1 TYR A 104 -3.362 11.030 7.451 1.00 0.00 C ATOM 1657 CE2 TYR A 104 -1.036 11.352 7.078 1.00 0.00 C ATOM 1658 CZ TYR A 104 -2.316 11.846 7.109 1.00 0.00 C ATOM 1659 OH TYR A 104 -2.559 13.177 6.811 1.00 0.00 O ATOM 0 H TYR A 104 -3.815 6.629 9.138 1.00 0.00 H new ATOM 0 HA TYR A 104 -2.701 6.957 6.429 1.00 0.00 H new ATOM 0 HB2 TYR A 104 -1.590 7.612 9.166 1.00 0.00 H new ATOM 0 HB3 TYR A 104 -0.568 7.465 7.750 1.00 0.00 H new ATOM 0 HD1 TYR A 104 -3.958 9.078 8.029 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.205 9.644 7.362 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -4.368 11.422 7.478 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -0.213 11.998 6.812 1.00 0.00 H new ATOM 0 HH TYR A 104 -2.917 13.629 7.603 1.00 0.00 H new ATOM 1669 N VAL A 105 -0.947 5.040 6.813 1.00 0.00 N ATOM 1670 CA VAL A 105 -0.344 3.734 6.763 1.00 0.00 C ATOM 1671 C VAL A 105 0.868 3.597 7.641 1.00 0.00 C ATOM 1672 O VAL A 105 1.782 4.415 7.606 1.00 0.00 O ATOM 1673 CB VAL A 105 -0.061 3.285 5.304 1.00 0.00 C ATOM 1674 CG1 VAL A 105 0.956 2.149 5.225 1.00 0.00 C ATOM 1675 CG2 VAL A 105 -1.348 2.813 4.734 1.00 0.00 C ATOM 0 H VAL A 105 -0.495 5.735 6.219 1.00 0.00 H new ATOM 0 HA VAL A 105 -1.084 3.050 7.179 1.00 0.00 H new ATOM 0 HB VAL A 105 0.357 4.128 4.754 1.00 0.00 H new ATOM 0 HG11 VAL A 105 1.116 1.875 4.182 1.00 0.00 H new ATOM 0 HG12 VAL A 105 1.900 2.474 5.663 1.00 0.00 H new ATOM 0 HG13 VAL A 105 0.580 1.285 5.773 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -1.193 2.487 3.706 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -1.724 1.979 5.326 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.074 3.626 4.751 1.00 0.00 H new ATOM 1685 N MET A 106 0.837 2.547 8.424 1.00 0.00 N ATOM 1686 CA MET A 106 1.908 2.162 9.309 1.00 0.00 C ATOM 1687 C MET A 106 2.098 0.658 9.188 1.00 0.00 C ATOM 1688 O MET A 106 1.231 -0.049 8.663 1.00 0.00 O ATOM 1689 CB MET A 106 1.577 2.512 10.778 1.00 0.00 C ATOM 1690 CG MET A 106 1.439 3.997 11.078 1.00 0.00 C ATOM 1691 SD MET A 106 2.979 4.912 10.855 1.00 0.00 S ATOM 1692 CE MET A 106 2.415 6.575 11.233 1.00 0.00 C ATOM 0 H MET A 106 0.037 1.915 8.464 1.00 0.00 H new ATOM 0 HA MET A 106 2.813 2.701 9.030 1.00 0.00 H new ATOM 0 HB2 MET A 106 0.646 2.015 11.052 1.00 0.00 H new ATOM 0 HB3 MET A 106 2.358 2.100 11.417 1.00 0.00 H new ATOM 0 HG2 MET A 106 0.673 4.423 10.429 1.00 0.00 H new ATOM 0 HG3 MET A 106 1.094 4.124 12.104 1.00 0.00 H new ATOM 0 HE1 MET A 106 3.249 7.271 11.142 1.00 0.00 H new ATOM 0 HE2 MET A 106 1.627 6.859 10.536 1.00 0.00 H new ATOM 0 HE3 MET A 106 2.027 6.605 12.251 1.00 0.00 H new ATOM 1702 N LEU A 107 3.205 0.175 9.641 1.00 0.00 N ATOM 1703 CA LEU A 107 3.476 -1.240 9.648 1.00 0.00 C ATOM 1704 C LEU A 107 3.580 -1.662 11.092 1.00 0.00 C ATOM 1705 O LEU A 107 4.370 -1.081 11.838 1.00 0.00 O ATOM 1706 CB LEU A 107 4.776 -1.582 8.880 1.00 0.00 C ATOM 1707 CG LEU A 107 4.760 -1.494 7.335 1.00 0.00 C ATOM 1708 CD1 LEU A 107 4.693 -0.057 6.832 1.00 0.00 C ATOM 1709 CD2 LEU A 107 5.965 -2.217 6.752 1.00 0.00 C ATOM 0 H LEU A 107 3.959 0.747 10.022 1.00 0.00 H new ATOM 0 HA LEU A 107 2.674 -1.776 9.140 1.00 0.00 H new ATOM 0 HB2 LEU A 107 5.561 -0.918 9.243 1.00 0.00 H new ATOM 0 HB3 LEU A 107 5.066 -2.597 9.152 1.00 0.00 H new ATOM 0 HG LEU A 107 3.850 -1.987 6.993 1.00 0.00 H new ATOM 0 HD11 LEU A 107 4.684 -0.053 5.742 1.00 0.00 H new ATOM 0 HD12 LEU A 107 3.784 0.417 7.204 1.00 0.00 H new ATOM 0 HD13 LEU A 107 5.562 0.495 7.190 1.00 0.00 H new ATOM 0 HD21 LEU A 107 5.940 -2.147 5.665 1.00 0.00 H new ATOM 0 HD22 LEU A 107 6.880 -1.757 7.125 1.00 0.00 H new ATOM 0 HD23 LEU A 107 5.939 -3.266 7.049 1.00 0.00 H new ATOM 1721 N GLY A 108 2.790 -2.636 11.504 1.00 0.00 N ATOM 1722 CA GLY A 108 2.769 -2.958 12.901 1.00 0.00 C ATOM 1723 C GLY A 108 2.898 -4.430 13.255 1.00 0.00 C ATOM 1724 O GLY A 108 3.981 -5.029 13.134 1.00 0.00 O ATOM 0 H GLY A 108 2.178 -3.195 10.909 1.00 0.00 H new ATOM 0 HA2 GLY A 108 3.579 -2.417 13.389 1.00 0.00 H new ATOM 0 HA3 GLY A 108 1.836 -2.585 13.324 1.00 0.00 H new ATOM 1728 N ASN A 109 1.769 -5.019 13.600 1.00 0.00 N ATOM 1729 CA ASN A 109 1.680 -6.331 14.266 1.00 0.00 C ATOM 1730 C ASN A 109 2.333 -7.466 13.477 1.00 0.00 C ATOM 1731 O ASN A 109 3.066 -8.299 14.037 1.00 0.00 O ATOM 1732 CB ASN A 109 0.199 -6.621 14.561 1.00 0.00 C ATOM 1733 CG ASN A 109 -0.123 -7.895 15.363 1.00 0.00 C ATOM 1734 OD1 ASN A 109 0.549 -8.924 15.285 1.00 0.00 O ATOM 1735 ND2 ASN A 109 -1.176 -7.825 16.144 1.00 0.00 N ATOM 0 H ASN A 109 0.857 -4.598 13.426 1.00 0.00 H new ATOM 0 HA ASN A 109 2.249 -6.282 15.194 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -0.211 -5.768 15.103 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -0.330 -6.678 13.610 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.452 -8.633 16.702 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -1.718 -6.962 16.193 1.00 0.00 H new ATOM 1742 N LYS A 110 2.073 -7.530 12.210 1.00 0.00 N ATOM 1743 CA LYS A 110 2.633 -8.586 11.409 1.00 0.00 C ATOM 1744 C LYS A 110 3.668 -8.086 10.427 1.00 0.00 C ATOM 1745 O LYS A 110 4.129 -8.826 9.566 1.00 0.00 O ATOM 1746 CB LYS A 110 1.521 -9.435 10.776 1.00 0.00 C ATOM 1747 CG LYS A 110 0.837 -10.309 11.810 1.00 0.00 C ATOM 1748 CD LYS A 110 1.696 -11.497 12.144 1.00 0.00 C ATOM 1749 CE LYS A 110 1.426 -11.982 13.530 1.00 0.00 C ATOM 1750 NZ LYS A 110 2.001 -11.048 14.546 1.00 0.00 N ATOM 0 H LYS A 110 1.481 -6.871 11.705 1.00 0.00 H new ATOM 0 HA LYS A 110 3.191 -9.252 12.067 1.00 0.00 H new ATOM 0 HB2 LYS A 110 0.786 -8.782 10.305 1.00 0.00 H new ATOM 0 HB3 LYS A 110 1.942 -10.061 9.989 1.00 0.00 H new ATOM 0 HG2 LYS A 110 0.640 -9.730 12.712 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -0.128 -10.645 11.430 1.00 0.00 H new ATOM 0 HD2 LYS A 110 1.506 -12.299 11.431 1.00 0.00 H new ATOM 0 HD3 LYS A 110 2.748 -11.228 12.048 1.00 0.00 H new ATOM 0 HE2 LYS A 110 0.351 -12.075 13.684 1.00 0.00 H new ATOM 0 HE3 LYS A 110 1.854 -12.976 13.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 2.373 -11.595 15.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 2.771 -10.498 14.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 1.259 -10.401 14.882 1.00 0.00 H new ATOM 1764 N ALA A 111 4.108 -6.856 10.632 1.00 0.00 N ATOM 1765 CA ALA A 111 5.150 -6.263 9.804 1.00 0.00 C ATOM 1766 C ALA A 111 6.480 -6.931 10.100 1.00 0.00 C ATOM 1767 O ALA A 111 7.280 -7.204 9.205 1.00 0.00 O ATOM 1768 CB ALA A 111 5.249 -4.790 10.064 1.00 0.00 C ATOM 0 H ALA A 111 3.759 -6.244 11.369 1.00 0.00 H new ATOM 0 HA ALA A 111 4.895 -6.415 8.755 1.00 0.00 H new ATOM 0 HB1 ALA A 111 6.032 -4.362 9.438 1.00 0.00 H new ATOM 0 HB2 ALA A 111 4.297 -4.314 9.830 1.00 0.00 H new ATOM 0 HB3 ALA A 111 5.491 -4.621 11.113 1.00 0.00 H new ATOM 1774 N GLN A 112 6.694 -7.228 11.370 1.00 0.00 N ATOM 1775 CA GLN A 112 7.890 -7.944 11.811 1.00 0.00 C ATOM 1776 C GLN A 112 7.887 -9.348 11.209 1.00 0.00 C ATOM 1777 O GLN A 112 8.926 -9.934 10.928 1.00 0.00 O ATOM 1778 CB GLN A 112 7.935 -8.002 13.367 1.00 0.00 C ATOM 1779 CG GLN A 112 6.747 -8.738 14.016 1.00 0.00 C ATOM 1780 CD GLN A 112 7.021 -10.201 14.432 1.00 0.00 C ATOM 1781 OE1 GLN A 112 6.392 -10.708 15.344 1.00 0.00 O ATOM 1782 NE2 GLN A 112 7.959 -10.869 13.789 1.00 0.00 N ATOM 0 H GLN A 112 6.052 -6.984 12.124 1.00 0.00 H new ATOM 0 HA GLN A 112 8.782 -7.418 11.469 1.00 0.00 H new ATOM 0 HB2 GLN A 112 8.860 -8.492 13.673 1.00 0.00 H new ATOM 0 HB3 GLN A 112 7.970 -6.984 13.755 1.00 0.00 H new ATOM 0 HG2 GLN A 112 6.434 -8.180 14.898 1.00 0.00 H new ATOM 0 HG3 GLN A 112 5.910 -8.727 13.318 1.00 0.00 H new ATOM 0 HE21 GLN A 112 8.472 -10.423 13.029 1.00 0.00 H new ATOM 0 HE22 GLN A 112 8.171 -11.831 14.052 1.00 0.00 H new ATOM 1791 N THR A 113 6.701 -9.862 11.006 1.00 0.00 N ATOM 1792 CA THR A 113 6.487 -11.169 10.484 1.00 0.00 C ATOM 1793 C THR A 113 6.790 -11.171 8.979 1.00 0.00 C ATOM 1794 O THR A 113 7.179 -12.191 8.409 1.00 0.00 O ATOM 1795 CB THR A 113 5.039 -11.563 10.786 1.00 0.00 C ATOM 1796 OG1 THR A 113 4.794 -11.282 12.183 1.00 0.00 O ATOM 1797 CG2 THR A 113 4.799 -13.036 10.538 1.00 0.00 C ATOM 0 H THR A 113 5.837 -9.359 11.209 1.00 0.00 H new ATOM 0 HA THR A 113 7.150 -11.900 10.946 1.00 0.00 H new ATOM 0 HB THR A 113 4.372 -11.000 10.133 1.00 0.00 H new ATOM 0 HG1 THR A 113 4.544 -12.110 12.644 1.00 0.00 H new ATOM 0 HG21 THR A 113 3.760 -13.278 10.763 1.00 0.00 H new ATOM 0 HG22 THR A 113 5.008 -13.268 9.494 1.00 0.00 H new ATOM 0 HG23 THR A 113 5.456 -13.625 11.178 1.00 0.00 H new ATOM 1805 N VAL A 114 6.657 -10.001 8.359 1.00 0.00 N ATOM 1806 CA VAL A 114 7.026 -9.820 6.967 1.00 0.00 C ATOM 1807 C VAL A 114 8.523 -9.985 6.844 1.00 0.00 C ATOM 1808 O VAL A 114 9.021 -10.703 5.953 1.00 0.00 O ATOM 1809 CB VAL A 114 6.628 -8.420 6.420 1.00 0.00 C ATOM 1810 CG1 VAL A 114 7.030 -8.263 4.961 1.00 0.00 C ATOM 1811 CG2 VAL A 114 5.145 -8.159 6.589 1.00 0.00 C ATOM 0 H VAL A 114 6.293 -9.161 8.808 1.00 0.00 H new ATOM 0 HA VAL A 114 6.489 -10.565 6.379 1.00 0.00 H new ATOM 0 HB VAL A 114 7.171 -7.680 7.007 1.00 0.00 H new ATOM 0 HG11 VAL A 114 6.738 -7.274 4.608 1.00 0.00 H new ATOM 0 HG12 VAL A 114 8.110 -8.378 4.867 1.00 0.00 H new ATOM 0 HG13 VAL A 114 6.530 -9.024 4.362 1.00 0.00 H new ATOM 0 HG21 VAL A 114 4.902 -7.172 6.196 1.00 0.00 H new ATOM 0 HG22 VAL A 114 4.578 -8.915 6.046 1.00 0.00 H new ATOM 0 HG23 VAL A 114 4.886 -8.202 7.647 1.00 0.00 H new ATOM 1821 N LEU A 115 9.223 -9.360 7.770 1.00 0.00 N ATOM 1822 CA LEU A 115 10.675 -9.402 7.835 1.00 0.00 C ATOM 1823 C LEU A 115 11.140 -10.823 8.094 1.00 0.00 C ATOM 1824 O LEU A 115 12.067 -11.301 7.460 1.00 0.00 O ATOM 1825 CB LEU A 115 11.171 -8.475 8.940 1.00 0.00 C ATOM 1826 CG LEU A 115 10.657 -7.040 8.863 1.00 0.00 C ATOM 1827 CD1 LEU A 115 11.140 -6.230 10.053 1.00 0.00 C ATOM 1828 CD2 LEU A 115 11.076 -6.373 7.556 1.00 0.00 C ATOM 0 H LEU A 115 8.796 -8.801 8.509 1.00 0.00 H new ATOM 0 HA LEU A 115 11.086 -9.066 6.883 1.00 0.00 H new ATOM 0 HB2 LEU A 115 10.882 -8.896 9.903 1.00 0.00 H new ATOM 0 HB3 LEU A 115 12.261 -8.456 8.914 1.00 0.00 H new ATOM 0 HG LEU A 115 9.568 -7.076 8.889 1.00 0.00 H new ATOM 0 HD11 LEU A 115 10.762 -5.211 9.977 1.00 0.00 H new ATOM 0 HD12 LEU A 115 10.776 -6.685 10.974 1.00 0.00 H new ATOM 0 HD13 LEU A 115 12.230 -6.213 10.063 1.00 0.00 H new ATOM 0 HD21 LEU A 115 10.695 -5.352 7.530 1.00 0.00 H new ATOM 0 HD22 LEU A 115 12.164 -6.356 7.488 1.00 0.00 H new ATOM 0 HD23 LEU A 115 10.669 -6.933 6.715 1.00 0.00 H new ATOM 1840 N ASN A 116 10.441 -11.512 8.998 1.00 0.00 N ATOM 1841 CA ASN A 116 10.759 -12.911 9.308 1.00 0.00 C ATOM 1842 C ASN A 116 10.353 -13.844 8.173 1.00 0.00 C ATOM 1843 O ASN A 116 10.755 -14.990 8.136 1.00 0.00 O ATOM 1844 CB ASN A 116 10.117 -13.363 10.633 1.00 0.00 C ATOM 1845 CG ASN A 116 10.724 -12.716 11.870 1.00 0.00 C ATOM 1846 OD1 ASN A 116 10.040 -12.502 12.855 1.00 0.00 O ATOM 1847 ND2 ASN A 116 12.004 -12.414 11.839 1.00 0.00 N ATOM 0 H ASN A 116 9.656 -11.130 9.526 1.00 0.00 H new ATOM 0 HA ASN A 116 11.841 -12.968 9.423 1.00 0.00 H new ATOM 0 HB2 ASN A 116 9.051 -13.137 10.604 1.00 0.00 H new ATOM 0 HB3 ASN A 116 10.211 -14.446 10.719 1.00 0.00 H new ATOM 0 HD21 ASN A 116 12.448 -11.989 12.653 1.00 0.00 H new ATOM 0 HD22 ASN A 116 12.553 -12.604 11.001 1.00 0.00 H new ATOM 1854 N GLY A 117 9.544 -13.338 7.258 1.00 0.00 N ATOM 1855 CA GLY A 117 9.162 -14.118 6.093 1.00 0.00 C ATOM 1856 C GLY A 117 8.007 -15.057 6.345 1.00 0.00 C ATOM 1857 O GLY A 117 7.670 -15.860 5.500 1.00 0.00 O ATOM 0 H GLY A 117 9.143 -12.401 7.297 1.00 0.00 H new ATOM 0 HA2 GLY A 117 8.897 -13.439 5.283 1.00 0.00 H new ATOM 0 HA3 GLY A 117 10.022 -14.696 5.756 1.00 0.00 H new ATOM 1861 N ASN A 118 7.359 -14.890 7.462 1.00 0.00 N ATOM 1862 CA ASN A 118 6.262 -15.768 7.869 1.00 0.00 C ATOM 1863 C ASN A 118 4.913 -15.131 7.461 1.00 0.00 C ATOM 1864 O ASN A 118 3.850 -15.457 7.971 1.00 0.00 O ATOM 1865 CB ASN A 118 6.352 -15.997 9.398 1.00 0.00 C ATOM 1866 CG ASN A 118 5.361 -17.017 9.968 1.00 0.00 C ATOM 1867 OD1 ASN A 118 4.904 -16.876 11.093 1.00 0.00 O ATOM 1868 ND2 ASN A 118 5.066 -18.066 9.229 1.00 0.00 N ATOM 0 H ASN A 118 7.565 -14.145 8.128 1.00 0.00 H new ATOM 0 HA ASN A 118 6.334 -16.735 7.371 1.00 0.00 H new ATOM 0 HB2 ASN A 118 7.363 -16.323 9.641 1.00 0.00 H new ATOM 0 HB3 ASN A 118 6.195 -15.043 9.901 1.00 0.00 H new ATOM 0 HD21 ASN A 118 4.442 -18.786 9.592 1.00 0.00 H new ATOM 0 HD22 ASN A 118 5.462 -18.158 8.293 1.00 0.00 H new ATOM 1875 N LEU A 119 4.975 -14.269 6.479 1.00 0.00 N ATOM 1876 CA LEU A 119 3.806 -13.570 6.010 1.00 0.00 C ATOM 1877 C LEU A 119 3.352 -14.203 4.709 1.00 0.00 C ATOM 1878 O LEU A 119 3.971 -14.092 3.669 1.00 0.00 O ATOM 1879 CB LEU A 119 4.021 -11.997 5.904 1.00 0.00 C ATOM 1880 CG LEU A 119 4.860 -11.398 4.736 1.00 0.00 C ATOM 1881 CD1 LEU A 119 6.071 -12.236 4.425 1.00 0.00 C ATOM 1882 CD2 LEU A 119 4.013 -11.107 3.490 1.00 0.00 C ATOM 0 H LEU A 119 5.834 -14.032 5.983 1.00 0.00 H new ATOM 0 HA LEU A 119 3.010 -13.676 6.747 1.00 0.00 H new ATOM 0 HB2 LEU A 119 3.033 -11.538 5.861 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.484 -11.671 6.835 1.00 0.00 H new ATOM 0 HG LEU A 119 5.228 -10.432 5.082 1.00 0.00 H new ATOM 0 HD11 LEU A 119 6.627 -11.782 3.605 1.00 0.00 H new ATOM 0 HD12 LEU A 119 6.709 -12.295 5.307 1.00 0.00 H new ATOM 0 HD13 LEU A 119 5.755 -13.239 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 119 4.648 -10.691 2.708 1.00 0.00 H new ATOM 0 HD22 LEU A 119 3.558 -12.032 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 119 3.230 -10.391 3.741 1.00 0.00 H new ATOM 1894 N LYS A 120 2.395 -14.967 4.809 1.00 0.00 N ATOM 1895 CA LYS A 120 1.827 -15.540 3.646 1.00 0.00 C ATOM 1896 C LYS A 120 0.334 -15.364 3.574 1.00 0.00 C ATOM 1897 O LYS A 120 -0.430 -16.153 4.148 1.00 0.00 O ATOM 1898 CB LYS A 120 2.264 -16.977 3.388 1.00 0.00 C ATOM 1899 CG LYS A 120 1.965 -17.969 4.502 1.00 0.00 C ATOM 1900 CD LYS A 120 1.724 -19.369 3.925 1.00 0.00 C ATOM 1901 CE LYS A 120 0.273 -19.562 3.373 1.00 0.00 C ATOM 1902 NZ LYS A 120 -0.192 -18.488 2.448 1.00 0.00 N ATOM 0 H LYS A 120 1.954 -15.238 5.688 1.00 0.00 H new ATOM 0 HA LYS A 120 2.243 -14.964 2.819 1.00 0.00 H new ATOM 0 HB2 LYS A 120 1.779 -17.326 2.476 1.00 0.00 H new ATOM 0 HB3 LYS A 120 3.338 -16.982 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 120 2.798 -17.997 5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 120 1.087 -17.644 5.061 1.00 0.00 H new ATOM 0 HD2 LYS A 120 2.439 -19.553 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 120 1.914 -20.113 4.699 1.00 0.00 H new ATOM 0 HE2 LYS A 120 0.222 -20.518 2.852 1.00 0.00 H new ATOM 0 HE3 LYS A 120 -0.416 -19.620 4.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 -0.929 -18.866 1.819 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 -0.581 -17.698 3.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 0.609 -18.150 1.878 1.00 0.00 H new ATOM 1916 N VAL A 121 -0.088 -14.362 2.867 1.00 0.00 N ATOM 1917 CA VAL A 121 -1.491 -14.076 2.757 1.00 0.00 C ATOM 1918 C VAL A 121 -1.946 -14.288 1.331 1.00 0.00 C ATOM 1919 O VAL A 121 -1.134 -14.513 0.440 1.00 0.00 O ATOM 1920 CB VAL A 121 -1.848 -12.633 3.194 1.00 0.00 C ATOM 1921 CG1 VAL A 121 -1.254 -12.293 4.544 1.00 0.00 C ATOM 1922 CG2 VAL A 121 -1.465 -11.627 2.136 1.00 0.00 C ATOM 0 H VAL A 121 0.520 -13.724 2.354 1.00 0.00 H new ATOM 0 HA VAL A 121 -2.006 -14.760 3.432 1.00 0.00 H new ATOM 0 HB VAL A 121 -2.931 -12.583 3.307 1.00 0.00 H new ATOM 0 HG11 VAL A 121 -1.527 -11.273 4.815 1.00 0.00 H new ATOM 0 HG12 VAL A 121 -1.638 -12.983 5.295 1.00 0.00 H new ATOM 0 HG13 VAL A 121 -0.168 -12.377 4.496 1.00 0.00 H new ATOM 0 HG21 VAL A 121 -1.729 -10.625 2.474 1.00 0.00 H new ATOM 0 HG22 VAL A 121 -0.391 -11.678 1.957 1.00 0.00 H new ATOM 0 HG23 VAL A 121 -1.998 -11.850 1.212 1.00 0.00 H new ATOM 1932 N ASP A 122 -3.205 -14.190 1.138 1.00 0.00 N ATOM 1933 CA ASP A 122 -3.831 -14.376 -0.142 1.00 0.00 C ATOM 1934 C ASP A 122 -4.250 -13.044 -0.741 1.00 0.00 C ATOM 1935 O ASP A 122 -4.324 -12.029 -0.041 1.00 0.00 O ATOM 1936 CB ASP A 122 -5.059 -15.243 0.045 1.00 0.00 C ATOM 1937 CG ASP A 122 -6.080 -14.619 0.999 1.00 0.00 C ATOM 1938 OD1 ASP A 122 -5.882 -14.728 2.247 1.00 0.00 O ATOM 1939 OD2 ASP A 122 -7.042 -13.981 0.535 1.00 0.00 O ATOM 0 H ASP A 122 -3.865 -13.971 1.884 1.00 0.00 H new ATOM 0 HA ASP A 122 -3.120 -14.850 -0.819 1.00 0.00 H new ATOM 0 HB2 ASP A 122 -5.529 -15.414 -0.923 1.00 0.00 H new ATOM 0 HB3 ASP A 122 -4.756 -16.217 0.429 1.00 0.00 H new ATOM 1944 N PHE A 123 -4.462 -13.036 -2.039 1.00 0.00 N ATOM 1945 CA PHE A 123 -5.007 -11.897 -2.737 1.00 0.00 C ATOM 1946 C PHE A 123 -5.620 -12.342 -4.038 1.00 0.00 C ATOM 1947 O PHE A 123 -5.022 -13.146 -4.785 1.00 0.00 O ATOM 1948 CB PHE A 123 -3.965 -10.793 -2.973 1.00 0.00 C ATOM 1949 CG PHE A 123 -4.470 -9.617 -3.762 1.00 0.00 C ATOM 1950 CD1 PHE A 123 -5.424 -8.765 -3.231 1.00 0.00 C ATOM 1951 CD2 PHE A 123 -3.983 -9.362 -5.037 1.00 0.00 C ATOM 1952 CE1 PHE A 123 -5.882 -7.686 -3.952 1.00 0.00 C ATOM 1953 CE2 PHE A 123 -4.438 -8.283 -5.762 1.00 0.00 C ATOM 1954 CZ PHE A 123 -5.390 -7.444 -5.218 1.00 0.00 C ATOM 0 H PHE A 123 -4.258 -13.831 -2.645 1.00 0.00 H new ATOM 0 HA PHE A 123 -5.778 -11.461 -2.102 1.00 0.00 H new ATOM 0 HB2 PHE A 123 -3.605 -10.439 -2.007 1.00 0.00 H new ATOM 0 HB3 PHE A 123 -3.110 -11.224 -3.494 1.00 0.00 H new ATOM 0 HD1 PHE A 123 -5.813 -8.949 -2.240 1.00 0.00 H new ATOM 0 HD2 PHE A 123 -3.239 -10.017 -5.465 1.00 0.00 H new ATOM 0 HE1 PHE A 123 -6.626 -7.029 -3.527 1.00 0.00 H new ATOM 0 HE2 PHE A 123 -4.051 -8.094 -6.753 1.00 0.00 H new ATOM 0 HZ PHE A 123 -5.750 -6.598 -5.784 1.00 0.00 H new ATOM 1964 N MET A 124 -6.802 -11.824 -4.306 1.00 0.00 N ATOM 1965 CA MET A 124 -7.528 -12.156 -5.497 1.00 0.00 C ATOM 1966 C MET A 124 -7.276 -11.080 -6.534 1.00 0.00 C ATOM 1967 O MET A 124 -7.291 -9.889 -6.217 1.00 0.00 O ATOM 1968 CB MET A 124 -9.030 -12.390 -5.194 1.00 0.00 C ATOM 1969 CG MET A 124 -9.842 -12.979 -6.360 1.00 0.00 C ATOM 1970 SD MET A 124 -10.381 -11.763 -7.583 1.00 0.00 S ATOM 1971 CE MET A 124 -11.675 -10.929 -6.659 1.00 0.00 C ATOM 0 H MET A 124 -7.280 -11.160 -3.697 1.00 0.00 H new ATOM 0 HA MET A 124 -7.173 -13.102 -5.906 1.00 0.00 H new ATOM 0 HB2 MET A 124 -9.113 -13.060 -4.338 1.00 0.00 H new ATOM 0 HB3 MET A 124 -9.479 -11.441 -4.901 1.00 0.00 H new ATOM 0 HG2 MET A 124 -9.239 -13.737 -6.860 1.00 0.00 H new ATOM 0 HG3 MET A 124 -10.720 -13.485 -5.957 1.00 0.00 H new ATOM 0 HE1 MET A 124 -12.286 -10.339 -7.341 1.00 0.00 H new ATOM 0 HE2 MET A 124 -12.300 -11.669 -6.159 1.00 0.00 H new ATOM 0 HE3 MET A 124 -11.225 -10.272 -5.914 1.00 0.00 H new