USER MOD reduce.3.24.130724 H: found=0, std=0, add=651, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 652 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 56 ASN : amide:sc= 0.408 K(o=4.2,f=2.3) USER MOD Set 1.2: A 102 ASN : amide:sc= 2.01 K(o=4.2,f=0.66!) USER MOD Set 1.3: A 104 SER OG : rot 77:sc= 1.82 USER MOD Set 1.4: A 108 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 52 SER OG : rot 80:sc= 0.691 USER MOD Set 2.2: A 59 MET CE :methyl 162:sc= -0.418 (180deg=-1.52!) USER MOD Set 3.1: A 53 THR OG1 : rot 54:sc= 0.557 USER MOD Set 3.2: A 111 SER OG : rot 180:sc= -0.06 USER MOD Set 4.1: A 20 THR OG1 : rot 113:sc= 1.34 USER MOD Set 4.2: A 22 THR OG1 : rot -55:sc= 0.0718 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.0446 USER MOD Single : A 26 GLN : amide:sc= -0.151 X(o=-0.15,f=-0.074) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 CYS SG : rot 34:sc= 0.00126 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 HIS : no HD1:sc= -1.82! C(o=-1.8!,f=-2.5!) USER MOD Single : A 54 ASN : amide:sc= 0.329 K(o=0.33,f=-5.7!) USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -3.14! C(o=-3.1!,f=-15!) USER MOD Single : A 70 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN :FLIP amide:sc= -2.54! C(o=-5!,f=-2.5!) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 TYR OH : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0.632 USER MOD Single : A 90 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 THR OG1 : rot 180:sc= 0.128 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0.0144 USER MOD Single : A 99 LYS NZ :NH3+ 145:sc= 2.47 (180deg=1.69) USER MOD Single : A 101 LYS NZ :NH3+ -161:sc= 2.33 (180deg=1.42!) USER MOD Single : A 103 ASN : amide:sc= 1.16 K(o=1.2,f=-0.064) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0.0602 USER MOD Single : A 109 ASN : amide:sc= 0 X(o=0,f=0.047) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 115 THR OG1 : rot 82:sc= 0.39 USER MOD ----------------------------------------------------------------- ATOM 91 N ALA A 19 -5.350 -8.783 0.495 1.00 0.00 N ATOM 92 CA ALA A 19 -4.546 -8.418 -0.661 1.00 0.00 C ATOM 93 C ALA A 19 -3.091 -8.206 -0.264 1.00 0.00 C ATOM 94 O ALA A 19 -2.662 -7.086 0.016 1.00 0.00 O ATOM 95 CB ALA A 19 -5.107 -7.174 -1.326 1.00 0.00 C ATOM 0 HA ALA A 19 -4.584 -9.239 -1.377 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -4.494 -6.915 -2.189 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.129 -7.365 -1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.101 -6.348 -0.615 1.00 0.00 H new ATOM 101 N THR A 20 -2.339 -9.291 -0.218 1.00 0.00 N ATOM 102 CA THR A 20 -0.937 -9.221 0.127 1.00 0.00 C ATOM 103 C THR A 20 -0.085 -9.108 -1.131 1.00 0.00 C ATOM 104 O THR A 20 -0.006 -10.032 -1.944 1.00 0.00 O ATOM 105 CB THR A 20 -0.493 -10.434 0.984 1.00 0.00 C ATOM 106 OG1 THR A 20 0.922 -10.394 1.211 1.00 0.00 O ATOM 107 CG2 THR A 20 -0.875 -11.761 0.336 1.00 0.00 C ATOM 0 H THR A 20 -2.680 -10.232 -0.416 1.00 0.00 H new ATOM 0 HA THR A 20 -0.790 -8.326 0.732 1.00 0.00 H new ATOM 0 HB THR A 20 -1.017 -10.365 1.937 1.00 0.00 H new ATOM 0 HG1 THR A 20 1.096 -10.233 2.162 1.00 0.00 H new ATOM 0 HG21 THR A 20 -0.545 -12.584 0.970 1.00 0.00 H new ATOM 0 HG22 THR A 20 -1.957 -11.808 0.214 1.00 0.00 H new ATOM 0 HG23 THR A 20 -0.396 -11.840 -0.640 1.00 0.00 H new ATOM 115 N TYR A 21 0.522 -7.949 -1.308 1.00 0.00 N ATOM 116 CA TYR A 21 1.411 -7.717 -2.427 1.00 0.00 C ATOM 117 C TYR A 21 2.829 -8.083 -2.025 1.00 0.00 C ATOM 118 O TYR A 21 3.638 -7.219 -1.687 1.00 0.00 O ATOM 119 CB TYR A 21 1.346 -6.255 -2.882 1.00 0.00 C ATOM 120 CG TYR A 21 -0.026 -5.625 -2.753 1.00 0.00 C ATOM 121 CD1 TYR A 21 -1.101 -6.086 -3.505 1.00 0.00 C ATOM 122 CD2 TYR A 21 -0.242 -4.566 -1.882 1.00 0.00 C ATOM 123 CE1 TYR A 21 -2.350 -5.508 -3.390 1.00 0.00 C ATOM 124 CE2 TYR A 21 -1.490 -3.985 -1.759 1.00 0.00 C ATOM 125 CZ TYR A 21 -2.541 -4.457 -2.515 1.00 0.00 C ATOM 126 OH TYR A 21 -3.783 -3.878 -2.395 1.00 0.00 O ATOM 0 H TYR A 21 0.413 -7.149 -0.685 1.00 0.00 H new ATOM 0 HA TYR A 21 1.098 -8.341 -3.264 1.00 0.00 H new ATOM 0 HB2 TYR A 21 2.058 -5.672 -2.297 1.00 0.00 H new ATOM 0 HB3 TYR A 21 1.664 -6.196 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -0.957 -6.909 -4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 21 0.579 -4.190 -1.290 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -3.174 -5.877 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -1.641 -3.164 -1.073 1.00 0.00 H new ATOM 0 HH TYR A 21 -3.744 -3.154 -1.736 1.00 0.00 H new ATOM 136 N THR A 22 3.110 -9.373 -2.030 1.00 0.00 N ATOM 137 CA THR A 22 4.428 -9.870 -1.687 1.00 0.00 C ATOM 138 C THR A 22 5.359 -9.786 -2.895 1.00 0.00 C ATOM 139 O THR A 22 5.591 -10.775 -3.589 1.00 0.00 O ATOM 140 CB THR A 22 4.340 -11.322 -1.192 1.00 0.00 C ATOM 141 OG1 THR A 22 2.996 -11.605 -0.765 1.00 0.00 O ATOM 142 CG2 THR A 22 5.306 -11.571 -0.044 1.00 0.00 C ATOM 0 H THR A 22 2.436 -10.100 -2.270 1.00 0.00 H new ATOM 0 HA THR A 22 4.833 -9.250 -0.887 1.00 0.00 H new ATOM 0 HB THR A 22 4.613 -11.982 -2.016 1.00 0.00 H new ATOM 0 HG1 THR A 22 2.724 -10.952 -0.087 1.00 0.00 H new ATOM 0 HG21 THR A 22 5.221 -12.607 0.285 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.326 -11.379 -0.378 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.065 -10.906 0.785 1.00 0.00 H new ATOM 150 N GLY A 23 5.886 -8.595 -3.139 1.00 0.00 N ATOM 151 CA GLY A 23 6.699 -8.371 -4.317 1.00 0.00 C ATOM 152 C GLY A 23 8.101 -7.913 -3.984 1.00 0.00 C ATOM 153 O GLY A 23 8.402 -7.590 -2.835 1.00 0.00 O ATOM 0 H GLY A 23 5.765 -7.778 -2.541 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.751 -9.292 -4.897 1.00 0.00 H new ATOM 0 HA3 GLY A 23 6.218 -7.624 -4.948 1.00 0.00 H new ATOM 157 N THR A 24 8.956 -7.885 -4.991 1.00 0.00 N ATOM 158 CA THR A 24 10.321 -7.425 -4.827 1.00 0.00 C ATOM 159 C THR A 24 10.434 -5.941 -5.178 1.00 0.00 C ATOM 160 O THR A 24 9.850 -5.484 -6.162 1.00 0.00 O ATOM 161 CB THR A 24 11.269 -8.237 -5.726 1.00 0.00 C ATOM 162 OG1 THR A 24 10.502 -9.139 -6.543 1.00 0.00 O ATOM 163 CG2 THR A 24 12.271 -9.022 -4.891 1.00 0.00 C ATOM 0 H THR A 24 8.724 -8.179 -5.940 1.00 0.00 H new ATOM 0 HA THR A 24 10.604 -7.566 -3.784 1.00 0.00 H new ATOM 0 HB THR A 24 11.822 -7.545 -6.362 1.00 0.00 H new ATOM 0 HG1 THR A 24 11.106 -9.655 -7.117 1.00 0.00 H new ATOM 0 HG21 THR A 24 12.930 -9.588 -5.550 1.00 0.00 H new ATOM 0 HG22 THR A 24 12.864 -8.332 -4.290 1.00 0.00 H new ATOM 0 HG23 THR A 24 11.738 -9.709 -4.234 1.00 0.00 H new ATOM 171 N ILE A 25 11.161 -5.191 -4.365 1.00 0.00 N ATOM 172 CA ILE A 25 11.365 -3.774 -4.610 1.00 0.00 C ATOM 173 C ILE A 25 12.825 -3.502 -4.961 1.00 0.00 C ATOM 174 O ILE A 25 13.728 -4.222 -4.524 1.00 0.00 O ATOM 175 CB ILE A 25 10.927 -2.908 -3.398 1.00 0.00 C ATOM 176 CG1 ILE A 25 10.484 -1.512 -3.873 1.00 0.00 C ATOM 177 CG2 ILE A 25 12.027 -2.826 -2.344 1.00 0.00 C ATOM 178 CD1 ILE A 25 11.422 -0.381 -3.501 1.00 0.00 C ATOM 0 H ILE A 25 11.621 -5.543 -3.526 1.00 0.00 H new ATOM 0 HA ILE A 25 10.737 -3.492 -5.455 1.00 0.00 H new ATOM 0 HB ILE A 25 10.072 -3.389 -2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 25 10.375 -1.531 -4.957 1.00 0.00 H new ATOM 0 HG13 ILE A 25 9.499 -1.299 -3.457 1.00 0.00 H new ATOM 0 HG21 ILE A 25 11.687 -2.212 -1.510 1.00 0.00 H new ATOM 0 HG22 ILE A 25 12.262 -3.828 -1.985 1.00 0.00 H new ATOM 0 HG23 ILE A 25 12.919 -2.379 -2.783 1.00 0.00 H new ATOM 0 HD11 ILE A 25 11.024 0.561 -3.879 1.00 0.00 H new ATOM 0 HD12 ILE A 25 11.514 -0.327 -2.416 1.00 0.00 H new ATOM 0 HD13 ILE A 25 12.403 -0.563 -3.940 1.00 0.00 H new ATOM 190 N GLN A 26 13.044 -2.466 -5.754 1.00 0.00 N ATOM 191 CA GLN A 26 14.377 -2.125 -6.229 1.00 0.00 C ATOM 192 C GLN A 26 15.239 -1.587 -5.097 1.00 0.00 C ATOM 193 O GLN A 26 14.740 -0.935 -4.177 1.00 0.00 O ATOM 194 CB GLN A 26 14.296 -1.086 -7.354 1.00 0.00 C ATOM 195 CG GLN A 26 12.920 -0.975 -7.994 1.00 0.00 C ATOM 196 CD GLN A 26 12.568 -2.187 -8.834 1.00 0.00 C ATOM 197 OE1 GLN A 26 11.556 -2.848 -8.597 1.00 0.00 O ATOM 198 NE2 GLN A 26 13.403 -2.488 -9.813 1.00 0.00 N ATOM 0 H GLN A 26 12.309 -1.841 -6.085 1.00 0.00 H new ATOM 0 HA GLN A 26 14.836 -3.036 -6.614 1.00 0.00 H new ATOM 0 HB2 GLN A 26 14.580 -0.112 -6.956 1.00 0.00 H new ATOM 0 HB3 GLN A 26 15.024 -1.341 -8.124 1.00 0.00 H new ATOM 0 HG2 GLN A 26 12.170 -0.848 -7.214 1.00 0.00 H new ATOM 0 HG3 GLN A 26 12.885 -0.082 -8.618 1.00 0.00 H new ATOM 0 HE21 GLN A 26 14.230 -1.912 -9.973 1.00 0.00 H new ATOM 0 HE22 GLN A 26 13.221 -3.296 -10.408 1.00 0.00 H new ATOM 207 N GLY A 27 16.530 -1.876 -5.161 1.00 0.00 N ATOM 208 CA GLY A 27 17.456 -1.336 -4.193 1.00 0.00 C ATOM 209 C GLY A 27 17.626 0.158 -4.363 1.00 0.00 C ATOM 210 O GLY A 27 17.903 0.632 -5.470 1.00 0.00 O ATOM 0 H GLY A 27 16.952 -2.477 -5.869 1.00 0.00 H new ATOM 0 HA2 GLY A 27 17.098 -1.550 -3.186 1.00 0.00 H new ATOM 0 HA3 GLY A 27 18.423 -1.828 -4.299 1.00 0.00 H new ATOM 214 N LYS A 28 17.451 0.890 -3.268 1.00 0.00 N ATOM 215 CA LYS A 28 17.512 2.348 -3.272 1.00 0.00 C ATOM 216 C LYS A 28 16.520 2.926 -4.275 1.00 0.00 C ATOM 217 O LYS A 28 16.904 3.529 -5.281 1.00 0.00 O ATOM 218 CB LYS A 28 18.934 2.834 -3.573 1.00 0.00 C ATOM 219 CG LYS A 28 19.352 4.050 -2.758 1.00 0.00 C ATOM 220 CD LYS A 28 19.171 3.813 -1.269 1.00 0.00 C ATOM 221 CE LYS A 28 18.215 4.822 -0.655 1.00 0.00 C ATOM 222 NZ LYS A 28 18.805 5.503 0.527 1.00 0.00 N ATOM 0 H LYS A 28 17.262 0.488 -2.350 1.00 0.00 H new ATOM 0 HA LYS A 28 17.237 2.701 -2.278 1.00 0.00 H new ATOM 0 HB2 LYS A 28 19.634 2.021 -3.381 1.00 0.00 H new ATOM 0 HB3 LYS A 28 19.009 3.075 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 28 20.396 4.287 -2.965 1.00 0.00 H new ATOM 0 HG3 LYS A 28 18.762 4.914 -3.064 1.00 0.00 H new ATOM 0 HD2 LYS A 28 18.792 2.804 -1.104 1.00 0.00 H new ATOM 0 HD3 LYS A 28 20.138 3.876 -0.770 1.00 0.00 H new ATOM 0 HE2 LYS A 28 17.944 5.566 -1.404 1.00 0.00 H new ATOM 0 HE3 LYS A 28 17.295 4.317 -0.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 18.119 6.182 0.914 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 19.040 4.797 1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 19.669 6.007 0.242 1.00 0.00 H new ATOM 236 N GLY A 29 15.240 2.728 -4.001 1.00 0.00 N ATOM 237 CA GLY A 29 14.212 3.231 -4.880 1.00 0.00 C ATOM 238 C GLY A 29 12.863 3.276 -4.208 1.00 0.00 C ATOM 239 O GLY A 29 12.715 2.832 -3.066 1.00 0.00 O ATOM 0 H GLY A 29 14.896 2.226 -3.182 1.00 0.00 H new ATOM 0 HA2 GLY A 29 14.482 4.232 -5.217 1.00 0.00 H new ATOM 0 HA3 GLY A 29 14.154 2.600 -5.767 1.00 0.00 H new ATOM 243 N GLU A 30 11.884 3.815 -4.919 1.00 0.00 N ATOM 244 CA GLU A 30 10.537 3.981 -4.392 1.00 0.00 C ATOM 245 C GLU A 30 9.515 3.688 -5.479 1.00 0.00 C ATOM 246 O GLU A 30 9.614 4.216 -6.585 1.00 0.00 O ATOM 247 CB GLU A 30 10.341 5.408 -3.869 1.00 0.00 C ATOM 248 CG GLU A 30 11.269 5.761 -2.721 1.00 0.00 C ATOM 249 CD GLU A 30 11.456 7.249 -2.540 1.00 0.00 C ATOM 250 OE1 GLU A 30 10.588 7.887 -1.908 1.00 0.00 O ATOM 251 OE2 GLU A 30 12.486 7.784 -2.997 1.00 0.00 O ATOM 0 H GLU A 30 12.000 4.149 -5.876 1.00 0.00 H new ATOM 0 HA GLU A 30 10.397 3.281 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.501 6.112 -4.686 1.00 0.00 H new ATOM 0 HB3 GLU A 30 9.308 5.529 -3.542 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.872 5.337 -1.799 1.00 0.00 H new ATOM 0 HG3 GLU A 30 12.241 5.298 -2.893 1.00 0.00 H new ATOM 258 N VAL A 31 8.541 2.848 -5.169 1.00 0.00 N ATOM 259 CA VAL A 31 7.524 2.483 -6.148 1.00 0.00 C ATOM 260 C VAL A 31 6.159 3.037 -5.768 1.00 0.00 C ATOM 261 O VAL A 31 5.923 3.407 -4.614 1.00 0.00 O ATOM 262 CB VAL A 31 7.414 0.953 -6.340 1.00 0.00 C ATOM 263 CG1 VAL A 31 8.568 0.428 -7.179 1.00 0.00 C ATOM 264 CG2 VAL A 31 7.360 0.234 -5.000 1.00 0.00 C ATOM 0 H VAL A 31 8.431 2.408 -4.255 1.00 0.00 H new ATOM 0 HA VAL A 31 7.844 2.927 -7.091 1.00 0.00 H new ATOM 0 HB VAL A 31 6.483 0.752 -6.870 1.00 0.00 H new ATOM 0 HG11 VAL A 31 8.469 -0.651 -7.300 1.00 0.00 H new ATOM 0 HG12 VAL A 31 8.553 0.906 -8.158 1.00 0.00 H new ATOM 0 HG13 VAL A 31 9.511 0.652 -6.681 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.283 -0.840 -5.166 1.00 0.00 H new ATOM 0 HG22 VAL A 31 8.267 0.449 -4.435 1.00 0.00 H new ATOM 0 HG23 VAL A 31 6.492 0.577 -4.438 1.00 0.00 H new ATOM 274 N CYS A 32 5.271 3.093 -6.747 1.00 0.00 N ATOM 275 CA CYS A 32 3.946 3.651 -6.562 1.00 0.00 C ATOM 276 C CYS A 32 2.876 2.567 -6.695 1.00 0.00 C ATOM 277 O CYS A 32 2.623 2.051 -7.782 1.00 0.00 O ATOM 278 CB CYS A 32 3.708 4.783 -7.577 1.00 0.00 C ATOM 279 SG CYS A 32 3.755 4.289 -9.338 1.00 0.00 S ATOM 0 H CYS A 32 5.451 2.752 -7.692 1.00 0.00 H new ATOM 0 HA CYS A 32 3.877 4.064 -5.555 1.00 0.00 H new ATOM 0 HB2 CYS A 32 2.737 5.234 -7.370 1.00 0.00 H new ATOM 0 HB3 CYS A 32 4.459 5.556 -7.415 1.00 0.00 H new ATOM 0 HG CYS A 32 3.284 3.084 -9.463 1.00 0.00 H new ATOM 284 N ILE A 33 2.265 2.209 -5.575 1.00 0.00 N ATOM 285 CA ILE A 33 1.187 1.231 -5.578 1.00 0.00 C ATOM 286 C ILE A 33 -0.160 1.931 -5.453 1.00 0.00 C ATOM 287 O ILE A 33 -0.538 2.387 -4.378 1.00 0.00 O ATOM 288 CB ILE A 33 1.338 0.200 -4.436 1.00 0.00 C ATOM 289 CG1 ILE A 33 2.766 -0.360 -4.398 1.00 0.00 C ATOM 290 CG2 ILE A 33 0.324 -0.925 -4.597 1.00 0.00 C ATOM 291 CD1 ILE A 33 3.157 -1.149 -5.635 1.00 0.00 C ATOM 0 H ILE A 33 2.497 2.581 -4.654 1.00 0.00 H new ATOM 0 HA ILE A 33 1.240 0.696 -6.526 1.00 0.00 H new ATOM 0 HB ILE A 33 1.145 0.704 -3.489 1.00 0.00 H new ATOM 0 HG12 ILE A 33 3.465 0.466 -4.272 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.870 -1.002 -3.523 1.00 0.00 H new ATOM 0 HG21 ILE A 33 0.444 -1.642 -3.785 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -0.685 -0.512 -4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 33 0.486 -1.427 -5.551 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.180 -1.510 -5.528 1.00 0.00 H new ATOM 0 HD12 ILE A 33 2.483 -1.998 -5.753 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.089 -0.507 -6.513 1.00 0.00 H new ATOM 476 N LEU A 46 -7.795 2.707 3.198 1.00 0.00 N ATOM 477 CA LEU A 46 -6.404 2.317 3.011 1.00 0.00 C ATOM 478 C LEU A 46 -5.837 1.685 4.278 1.00 0.00 C ATOM 479 O LEU A 46 -5.434 2.388 5.202 1.00 0.00 O ATOM 480 CB LEU A 46 -5.553 3.535 2.633 1.00 0.00 C ATOM 481 CG LEU A 46 -5.992 4.290 1.379 1.00 0.00 C ATOM 482 CD1 LEU A 46 -6.553 5.653 1.752 1.00 0.00 C ATOM 483 CD2 LEU A 46 -4.828 4.438 0.411 1.00 0.00 C ATOM 0 HA LEU A 46 -6.372 1.584 2.205 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.555 4.231 3.472 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.523 3.206 2.494 1.00 0.00 H new ATOM 0 HG LEU A 46 -6.777 3.716 0.886 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.861 6.179 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -7.413 5.525 2.409 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.787 6.233 2.266 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.159 4.978 -0.476 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -4.022 4.991 0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.468 3.451 0.121 1.00 0.00 H new ATOM 495 N TYR A 47 -5.817 0.362 4.327 1.00 0.00 N ATOM 496 CA TYR A 47 -5.216 -0.346 5.450 1.00 0.00 C ATOM 497 C TYR A 47 -4.227 -1.391 4.944 1.00 0.00 C ATOM 498 O TYR A 47 -4.593 -2.272 4.166 1.00 0.00 O ATOM 499 CB TYR A 47 -6.289 -1.013 6.317 1.00 0.00 C ATOM 500 CG TYR A 47 -5.735 -2.070 7.249 1.00 0.00 C ATOM 501 CD1 TYR A 47 -4.856 -1.733 8.271 1.00 0.00 C ATOM 502 CD2 TYR A 47 -6.078 -3.405 7.092 1.00 0.00 C ATOM 503 CE1 TYR A 47 -4.337 -2.698 9.111 1.00 0.00 C ATOM 504 CE2 TYR A 47 -5.561 -4.376 7.927 1.00 0.00 C ATOM 505 CZ TYR A 47 -4.690 -4.018 8.934 1.00 0.00 C ATOM 506 OH TYR A 47 -4.165 -4.984 9.761 1.00 0.00 O ATOM 0 H TYR A 47 -6.208 -0.243 3.605 1.00 0.00 H new ATOM 0 HA TYR A 47 -4.684 0.381 6.064 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -6.797 -0.249 6.906 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -7.039 -1.467 5.669 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -4.574 -0.700 8.410 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -6.760 -3.689 6.304 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -3.658 -2.420 9.903 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -5.838 -5.411 7.792 1.00 0.00 H new ATOM 0 HH TYR A 47 -4.516 -5.862 9.503 1.00 0.00 H new ATOM 516 N ALA A 48 -2.979 -1.287 5.381 1.00 0.00 N ATOM 517 CA ALA A 48 -1.951 -2.228 4.961 1.00 0.00 C ATOM 518 C ALA A 48 -0.834 -2.344 5.991 1.00 0.00 C ATOM 519 O ALA A 48 -0.416 -1.349 6.582 1.00 0.00 O ATOM 520 CB ALA A 48 -1.377 -1.805 3.620 1.00 0.00 C ATOM 0 H ALA A 48 -2.656 -0.564 6.023 1.00 0.00 H new ATOM 0 HA ALA A 48 -2.418 -3.208 4.867 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -0.609 -2.514 3.313 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.172 -1.785 2.874 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -0.938 -0.811 3.709 1.00 0.00 H new ATOM 526 N VAL A 49 -0.368 -3.565 6.211 1.00 0.00 N ATOM 527 CA VAL A 49 0.816 -3.805 7.027 1.00 0.00 C ATOM 528 C VAL A 49 1.964 -4.215 6.120 1.00 0.00 C ATOM 529 O VAL A 49 1.778 -5.038 5.226 1.00 0.00 O ATOM 530 CB VAL A 49 0.585 -4.906 8.104 1.00 0.00 C ATOM 531 CG1 VAL A 49 -0.316 -6.013 7.577 1.00 0.00 C ATOM 532 CG2 VAL A 49 1.912 -5.481 8.600 1.00 0.00 C ATOM 0 H VAL A 49 -0.795 -4.411 5.833 1.00 0.00 H new ATOM 0 HA VAL A 49 1.049 -2.881 7.556 1.00 0.00 H new ATOM 0 HB VAL A 49 0.083 -4.436 8.949 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.458 -6.766 8.352 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.282 -5.593 7.297 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.146 -6.474 6.704 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.719 -6.247 9.351 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.453 -5.922 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.512 -4.684 9.040 1.00 0.00 H new ATOM 542 N LEU A 50 3.143 -3.655 6.328 1.00 0.00 N ATOM 543 CA LEU A 50 4.262 -4.016 5.504 1.00 0.00 C ATOM 544 C LEU A 50 5.229 -4.839 6.329 1.00 0.00 C ATOM 545 O LEU A 50 5.479 -4.531 7.504 1.00 0.00 O ATOM 546 CB LEU A 50 4.939 -2.774 4.915 1.00 0.00 C ATOM 547 CG LEU A 50 5.173 -2.807 3.398 1.00 0.00 C ATOM 548 CD1 LEU A 50 6.129 -1.703 2.970 1.00 0.00 C ATOM 549 CD2 LEU A 50 5.711 -4.160 2.966 1.00 0.00 C ATOM 0 H LEU A 50 3.340 -2.961 7.050 1.00 0.00 H new ATOM 0 HA LEU A 50 3.916 -4.612 4.660 1.00 0.00 H new ATOM 0 HB2 LEU A 50 4.329 -1.902 5.152 1.00 0.00 H new ATOM 0 HB3 LEU A 50 5.900 -2.636 5.411 1.00 0.00 H new ATOM 0 HG LEU A 50 4.213 -2.641 2.909 1.00 0.00 H new ATOM 0 HD11 LEU A 50 6.278 -1.749 1.891 1.00 0.00 H new ATOM 0 HD12 LEU A 50 5.709 -0.734 3.238 1.00 0.00 H new ATOM 0 HD13 LEU A 50 7.086 -1.835 3.474 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.869 -4.161 1.888 1.00 0.00 H new ATOM 0 HD22 LEU A 50 6.657 -4.354 3.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 4.993 -4.937 3.228 1.00 0.00 H new ATOM 561 N HIS A 51 5.689 -5.930 5.733 1.00 0.00 N ATOM 562 CA HIS A 51 6.679 -6.790 6.350 1.00 0.00 C ATOM 563 C HIS A 51 7.972 -6.710 5.564 1.00 0.00 C ATOM 564 O HIS A 51 8.026 -7.118 4.399 1.00 0.00 O ATOM 565 CB HIS A 51 6.223 -8.257 6.389 1.00 0.00 C ATOM 566 CG HIS A 51 4.838 -8.481 6.920 1.00 0.00 C ATOM 567 ND1 HIS A 51 4.589 -9.047 8.146 1.00 0.00 N ATOM 568 CD2 HIS A 51 3.629 -8.258 6.362 1.00 0.00 C ATOM 569 CE1 HIS A 51 3.286 -9.164 8.319 1.00 0.00 C ATOM 570 NE2 HIS A 51 2.677 -8.692 7.248 1.00 0.00 N ATOM 0 H HIS A 51 5.385 -6.240 4.810 1.00 0.00 H new ATOM 0 HA HIS A 51 6.820 -6.446 7.375 1.00 0.00 H new ATOM 0 HB2 HIS A 51 6.278 -8.665 5.380 1.00 0.00 H new ATOM 0 HB3 HIS A 51 6.925 -8.823 7.001 1.00 0.00 H new ATOM 0 HD2 HIS A 51 3.445 -7.818 5.393 1.00 0.00 H new ATOM 0 HE1 HIS A 51 2.800 -9.577 9.191 1.00 0.00 H new ATOM 0 HE2 HIS A 51 1.668 -8.656 7.104 1.00 0.00 H new ATOM 579 N SER A 52 8.999 -6.177 6.191 1.00 0.00 N ATOM 580 CA SER A 52 10.311 -6.103 5.577 1.00 0.00 C ATOM 581 C SER A 52 11.063 -7.419 5.791 1.00 0.00 C ATOM 582 O SER A 52 11.846 -7.559 6.729 1.00 0.00 O ATOM 583 CB SER A 52 11.090 -4.928 6.170 1.00 0.00 C ATOM 584 OG SER A 52 11.073 -3.809 5.302 1.00 0.00 O ATOM 0 H SER A 52 8.951 -5.786 7.132 1.00 0.00 H new ATOM 0 HA SER A 52 10.203 -5.942 4.504 1.00 0.00 H new ATOM 0 HB2 SER A 52 10.659 -4.651 7.132 1.00 0.00 H new ATOM 0 HB3 SER A 52 12.120 -5.230 6.358 1.00 0.00 H new ATOM 0 HG SER A 52 10.223 -3.331 5.402 1.00 0.00 H new ATOM 590 N THR A 53 10.807 -8.388 4.921 1.00 0.00 N ATOM 591 CA THR A 53 11.369 -9.724 5.067 1.00 0.00 C ATOM 592 C THR A 53 12.742 -9.844 4.409 1.00 0.00 C ATOM 593 O THR A 53 12.904 -10.546 3.405 1.00 0.00 O ATOM 594 CB THR A 53 10.417 -10.765 4.464 1.00 0.00 C ATOM 595 OG1 THR A 53 9.655 -10.170 3.401 1.00 0.00 O ATOM 596 CG2 THR A 53 9.478 -11.296 5.532 1.00 0.00 C ATOM 0 H THR A 53 10.210 -8.272 4.102 1.00 0.00 H new ATOM 0 HA THR A 53 11.493 -9.909 6.134 1.00 0.00 H new ATOM 0 HB THR A 53 11.005 -11.592 4.067 1.00 0.00 H new ATOM 0 HG1 THR A 53 10.264 -9.766 2.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 8.807 -12.034 5.092 1.00 0.00 H new ATOM 0 HG22 THR A 53 10.059 -11.762 6.328 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.893 -10.474 5.944 1.00 0.00 H new ATOM 604 N ASN A 54 13.725 -9.147 4.973 1.00 0.00 N ATOM 605 CA ASN A 54 15.089 -9.169 4.450 1.00 0.00 C ATOM 606 C ASN A 54 16.080 -8.771 5.536 1.00 0.00 C ATOM 607 O ASN A 54 15.678 -8.368 6.627 1.00 0.00 O ATOM 608 CB ASN A 54 15.268 -8.221 3.246 1.00 0.00 C ATOM 609 CG ASN A 54 14.025 -7.430 2.886 1.00 0.00 C ATOM 610 OD1 ASN A 54 13.354 -7.731 1.905 1.00 0.00 O ATOM 611 ND2 ASN A 54 13.710 -6.412 3.671 1.00 0.00 N ATOM 0 H ASN A 54 13.602 -8.557 5.796 1.00 0.00 H new ATOM 0 HA ASN A 54 15.280 -10.189 4.117 1.00 0.00 H new ATOM 0 HB2 ASN A 54 16.078 -7.524 3.464 1.00 0.00 H new ATOM 0 HB3 ASN A 54 15.576 -8.807 2.380 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.885 -5.848 3.468 1.00 0.00 H new ATOM 0 HD22 ASN A 54 14.293 -6.192 4.479 1.00 0.00 H new ATOM 618 N VAL A 55 17.371 -8.901 5.217 1.00 0.00 N ATOM 619 CA VAL A 55 18.461 -8.467 6.099 1.00 0.00 C ATOM 620 C VAL A 55 18.221 -7.067 6.633 1.00 0.00 C ATOM 621 O VAL A 55 17.884 -6.861 7.798 1.00 0.00 O ATOM 622 CB VAL A 55 19.813 -8.423 5.358 1.00 0.00 C ATOM 623 CG1 VAL A 55 20.692 -9.593 5.767 1.00 0.00 C ATOM 624 CG2 VAL A 55 19.611 -8.391 3.849 1.00 0.00 C ATOM 0 H VAL A 55 17.691 -9.310 4.339 1.00 0.00 H new ATOM 0 HA VAL A 55 18.488 -9.195 6.910 1.00 0.00 H new ATOM 0 HB VAL A 55 20.323 -7.503 5.644 1.00 0.00 H new ATOM 0 HG11 VAL A 55 21.640 -9.541 5.231 1.00 0.00 H new ATOM 0 HG12 VAL A 55 20.879 -9.550 6.840 1.00 0.00 H new ATOM 0 HG13 VAL A 55 20.189 -10.529 5.523 1.00 0.00 H new ATOM 0 HG21 VAL A 55 20.581 -8.360 3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 55 19.071 -9.284 3.535 1.00 0.00 H new ATOM 0 HG23 VAL A 55 19.036 -7.505 3.578 1.00 0.00 H new ATOM 634 N ASN A 56 18.418 -6.112 5.748 1.00 0.00 N ATOM 635 CA ASN A 56 18.279 -4.711 6.068 1.00 0.00 C ATOM 636 C ASN A 56 16.808 -4.319 6.041 1.00 0.00 C ATOM 637 O ASN A 56 16.339 -3.660 5.113 1.00 0.00 O ATOM 638 CB ASN A 56 19.083 -3.898 5.056 1.00 0.00 C ATOM 639 CG ASN A 56 19.247 -2.452 5.440 1.00 0.00 C ATOM 640 OD1 ASN A 56 19.975 -2.106 6.371 1.00 0.00 O ATOM 641 ND2 ASN A 56 18.574 -1.602 4.708 1.00 0.00 N ATOM 0 H ASN A 56 18.681 -6.290 4.779 1.00 0.00 H new ATOM 0 HA ASN A 56 18.660 -4.511 7.069 1.00 0.00 H new ATOM 0 HB2 ASN A 56 20.069 -4.349 4.941 1.00 0.00 H new ATOM 0 HB3 ASN A 56 18.592 -3.954 4.085 1.00 0.00 H new ATOM 0 HD21 ASN A 56 18.639 -0.602 4.898 1.00 0.00 H new ATOM 0 HD22 ASN A 56 17.984 -1.939 3.947 1.00 0.00 H new ATOM 648 N ALA A 57 16.076 -4.759 7.053 1.00 0.00 N ATOM 649 CA ALA A 57 14.654 -4.476 7.149 1.00 0.00 C ATOM 650 C ALA A 57 14.414 -3.057 7.646 1.00 0.00 C ATOM 651 O ALA A 57 13.814 -2.840 8.700 1.00 0.00 O ATOM 652 CB ALA A 57 13.976 -5.486 8.056 1.00 0.00 C ATOM 0 H ALA A 57 16.447 -5.316 7.823 1.00 0.00 H new ATOM 0 HA ALA A 57 14.220 -4.559 6.153 1.00 0.00 H new ATOM 0 HB1 ALA A 57 12.911 -5.262 8.119 1.00 0.00 H new ATOM 0 HB2 ALA A 57 14.112 -6.488 7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 57 14.417 -5.434 9.052 1.00 0.00 H new ATOM 658 N ASP A 58 14.902 -2.101 6.878 1.00 0.00 N ATOM 659 CA ASP A 58 14.753 -0.696 7.202 1.00 0.00 C ATOM 660 C ASP A 58 13.985 0.006 6.093 1.00 0.00 C ATOM 661 O ASP A 58 14.466 0.972 5.502 1.00 0.00 O ATOM 662 CB ASP A 58 16.125 -0.047 7.381 1.00 0.00 C ATOM 663 CG ASP A 58 16.095 1.122 8.347 1.00 0.00 C ATOM 664 OD1 ASP A 58 15.138 1.224 9.147 1.00 0.00 O ATOM 665 OD2 ASP A 58 17.034 1.946 8.314 1.00 0.00 O ATOM 0 H ASP A 58 15.412 -2.277 6.013 1.00 0.00 H new ATOM 0 HA ASP A 58 14.199 -0.603 8.136 1.00 0.00 H new ATOM 0 HB2 ASP A 58 16.832 -0.794 7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 58 16.490 0.296 6.413 1.00 0.00 H new ATOM 670 N MET A 59 12.794 -0.492 5.807 1.00 0.00 N ATOM 671 CA MET A 59 11.989 0.048 4.732 1.00 0.00 C ATOM 672 C MET A 59 10.820 0.788 5.347 1.00 0.00 C ATOM 673 O MET A 59 10.546 0.624 6.532 1.00 0.00 O ATOM 674 CB MET A 59 11.513 -1.084 3.821 1.00 0.00 C ATOM 675 CG MET A 59 11.225 -0.666 2.388 1.00 0.00 C ATOM 676 SD MET A 59 11.563 -1.983 1.199 1.00 0.00 S ATOM 677 CE MET A 59 11.086 -3.435 2.138 1.00 0.00 C ATOM 0 H MET A 59 12.365 -1.271 6.307 1.00 0.00 H new ATOM 0 HA MET A 59 12.571 0.738 4.121 1.00 0.00 H new ATOM 0 HB2 MET A 59 12.271 -1.868 3.811 1.00 0.00 H new ATOM 0 HB3 MET A 59 10.609 -1.520 4.247 1.00 0.00 H new ATOM 0 HG2 MET A 59 10.181 -0.365 2.304 1.00 0.00 H new ATOM 0 HG3 MET A 59 11.829 0.207 2.140 1.00 0.00 H new ATOM 0 HE1 MET A 59 10.932 -4.273 1.458 1.00 0.00 H new ATOM 0 HE2 MET A 59 11.874 -3.684 2.848 1.00 0.00 H new ATOM 0 HE3 MET A 59 10.162 -3.231 2.679 1.00 0.00 H new ATOM 687 N THR A 60 10.173 1.652 4.588 1.00 0.00 N ATOM 688 CA THR A 60 9.035 2.378 5.118 1.00 0.00 C ATOM 689 C THR A 60 7.922 2.516 4.086 1.00 0.00 C ATOM 690 O THR A 60 8.153 3.000 2.971 1.00 0.00 O ATOM 691 CB THR A 60 9.462 3.766 5.622 1.00 0.00 C ATOM 692 OG1 THR A 60 10.858 3.965 5.361 1.00 0.00 O ATOM 693 CG2 THR A 60 9.196 3.907 7.115 1.00 0.00 C ATOM 0 H THR A 60 10.410 1.866 3.619 1.00 0.00 H new ATOM 0 HA THR A 60 8.645 1.800 5.956 1.00 0.00 H new ATOM 0 HB THR A 60 8.877 4.520 5.094 1.00 0.00 H new ATOM 0 HG1 THR A 60 11.128 4.851 5.681 1.00 0.00 H new ATOM 0 HG21 THR A 60 9.506 4.897 7.448 1.00 0.00 H new ATOM 0 HG22 THR A 60 8.131 3.776 7.309 1.00 0.00 H new ATOM 0 HG23 THR A 60 9.760 3.148 7.658 1.00 0.00 H new ATOM 701 N LEU A 61 6.718 2.083 4.451 1.00 0.00 N ATOM 702 CA LEU A 61 5.556 2.305 3.615 1.00 0.00 C ATOM 703 C LEU A 61 5.038 3.700 3.895 1.00 0.00 C ATOM 704 O LEU A 61 5.015 4.136 5.045 1.00 0.00 O ATOM 705 CB LEU A 61 4.468 1.239 3.867 1.00 0.00 C ATOM 706 CG LEU A 61 3.297 1.650 4.776 1.00 0.00 C ATOM 707 CD1 LEU A 61 2.208 2.350 3.986 1.00 0.00 C ATOM 708 CD2 LEU A 61 2.712 0.441 5.484 1.00 0.00 C ATOM 0 H LEU A 61 6.528 1.579 5.317 1.00 0.00 H new ATOM 0 HA LEU A 61 5.834 2.217 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 61 4.060 0.934 2.903 1.00 0.00 H new ATOM 0 HB3 LEU A 61 4.946 0.361 4.303 1.00 0.00 H new ATOM 0 HG LEU A 61 3.691 2.343 5.519 1.00 0.00 H new ATOM 0 HD11 LEU A 61 1.394 2.628 4.656 1.00 0.00 H new ATOM 0 HD12 LEU A 61 2.616 3.246 3.519 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.830 1.679 3.215 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.886 0.757 6.121 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.348 -0.273 4.745 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.482 -0.030 6.095 1.00 0.00 H new ATOM 720 N ILE A 62 4.658 4.412 2.858 1.00 0.00 N ATOM 721 CA ILE A 62 4.201 5.772 3.032 1.00 0.00 C ATOM 722 C ILE A 62 2.830 5.991 2.402 1.00 0.00 C ATOM 723 O ILE A 62 2.614 5.726 1.218 1.00 0.00 O ATOM 724 CB ILE A 62 5.241 6.806 2.512 1.00 0.00 C ATOM 725 CG1 ILE A 62 4.577 7.915 1.691 1.00 0.00 C ATOM 726 CG2 ILE A 62 6.344 6.124 1.707 1.00 0.00 C ATOM 727 CD1 ILE A 62 5.563 8.899 1.115 1.00 0.00 C ATOM 0 H ILE A 62 4.656 4.076 1.895 1.00 0.00 H new ATOM 0 HA ILE A 62 4.096 5.936 4.104 1.00 0.00 H new ATOM 0 HB ILE A 62 5.696 7.270 3.387 1.00 0.00 H new ATOM 0 HG12 ILE A 62 4.006 7.465 0.879 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.867 8.449 2.322 1.00 0.00 H new ATOM 0 HG21 ILE A 62 7.055 6.872 1.357 1.00 0.00 H new ATOM 0 HG22 ILE A 62 6.860 5.400 2.338 1.00 0.00 H new ATOM 0 HG23 ILE A 62 5.906 5.612 0.850 1.00 0.00 H new ATOM 0 HD11 ILE A 62 5.028 9.659 0.545 1.00 0.00 H new ATOM 0 HD12 ILE A 62 6.117 9.375 1.924 1.00 0.00 H new ATOM 0 HD13 ILE A 62 6.258 8.376 0.459 1.00 0.00 H new ATOM 739 N LEU A 63 1.907 6.442 3.238 1.00 0.00 N ATOM 740 CA LEU A 63 0.568 6.809 2.813 1.00 0.00 C ATOM 741 C LEU A 63 0.567 8.248 2.343 1.00 0.00 C ATOM 742 O LEU A 63 0.611 9.167 3.157 1.00 0.00 O ATOM 743 CB LEU A 63 -0.406 6.661 3.981 1.00 0.00 C ATOM 744 CG LEU A 63 -1.831 6.227 3.632 1.00 0.00 C ATOM 745 CD1 LEU A 63 -2.825 6.862 4.590 1.00 0.00 C ATOM 746 CD2 LEU A 63 -2.185 6.556 2.186 1.00 0.00 C ATOM 0 H LEU A 63 2.069 6.564 4.238 1.00 0.00 H new ATOM 0 HA LEU A 63 0.258 6.154 1.999 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.009 5.936 4.681 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -0.459 7.616 4.504 1.00 0.00 H new ATOM 0 HG LEU A 63 -1.884 5.143 3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -3.835 6.544 4.330 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.598 6.550 5.609 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -2.756 7.948 4.519 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -3.205 6.232 1.978 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -2.107 7.632 2.028 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -1.497 6.040 1.516 1.00 0.00 H new ATOM 758 N LEU A 64 0.544 8.445 1.043 1.00 0.00 N ATOM 759 CA LEU A 64 0.563 9.787 0.500 1.00 0.00 C ATOM 760 C LEU A 64 -0.496 9.960 -0.583 1.00 0.00 C ATOM 761 O LEU A 64 -0.987 8.986 -1.150 1.00 0.00 O ATOM 762 CB LEU A 64 1.971 10.111 -0.022 1.00 0.00 C ATOM 763 CG LEU A 64 2.052 10.731 -1.418 1.00 0.00 C ATOM 764 CD1 LEU A 64 2.219 12.240 -1.331 1.00 0.00 C ATOM 765 CD2 LEU A 64 3.199 10.115 -2.191 1.00 0.00 C ATOM 0 H LEU A 64 0.512 7.700 0.347 1.00 0.00 H new ATOM 0 HA LEU A 64 0.318 10.494 1.292 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.448 10.792 0.683 1.00 0.00 H new ATOM 0 HB3 LEU A 64 2.556 9.191 -0.022 1.00 0.00 H new ATOM 0 HG LEU A 64 1.120 10.525 -1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 64 2.274 12.658 -2.336 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.367 12.671 -0.805 1.00 0.00 H new ATOM 0 HD13 LEU A 64 3.136 12.474 -0.790 1.00 0.00 H new ATOM 0 HD21 LEU A 64 3.250 10.562 -3.184 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.134 10.298 -1.662 1.00 0.00 H new ATOM 0 HD23 LEU A 64 3.040 9.041 -2.284 1.00 0.00 H new ATOM 777 N ARG A 65 -0.861 11.210 -0.836 1.00 0.00 N ATOM 778 CA ARG A 65 -1.723 11.556 -1.954 1.00 0.00 C ATOM 779 C ARG A 65 -1.297 12.897 -2.522 1.00 0.00 C ATOM 780 O ARG A 65 -1.523 13.939 -1.912 1.00 0.00 O ATOM 781 CB ARG A 65 -3.198 11.636 -1.535 1.00 0.00 C ATOM 782 CG ARG A 65 -3.440 11.574 -0.030 1.00 0.00 C ATOM 783 CD ARG A 65 -3.194 12.908 0.669 1.00 0.00 C ATOM 784 NE ARG A 65 -3.754 14.041 -0.065 1.00 0.00 N ATOM 785 CZ ARG A 65 -4.052 15.217 0.482 1.00 0.00 C ATOM 786 NH1 ARG A 65 -3.881 15.411 1.788 1.00 0.00 N ATOM 787 NH2 ARG A 65 -4.522 16.193 -0.284 1.00 0.00 N ATOM 0 H ARG A 65 -0.568 12.009 -0.273 1.00 0.00 H new ATOM 0 HA ARG A 65 -1.625 10.772 -2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -3.620 12.565 -1.919 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -3.741 10.819 -2.010 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -4.466 11.257 0.155 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -2.789 10.816 0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -3.630 12.876 1.668 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -2.121 13.056 0.794 1.00 0.00 H new ATOM 0 HE ARG A 65 -3.928 13.922 -1.063 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -3.521 14.657 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -4.110 16.314 2.204 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -4.652 16.039 -1.284 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -4.753 17.098 0.127 1.00 0.00 H new ATOM 801 N ASN A 66 -0.655 12.867 -3.668 1.00 0.00 N ATOM 802 CA ASN A 66 -0.352 14.085 -4.393 1.00 0.00 C ATOM 803 C ASN A 66 -0.708 13.911 -5.852 1.00 0.00 C ATOM 804 O ASN A 66 -0.585 12.820 -6.406 1.00 0.00 O ATOM 805 CB ASN A 66 1.120 14.503 -4.230 1.00 0.00 C ATOM 806 CG ASN A 66 2.093 13.674 -5.051 1.00 0.00 C ATOM 807 OD1 ASN A 66 2.685 12.726 -4.543 1.00 0.00 O ATOM 808 ND2 ASN A 66 2.284 14.039 -6.315 1.00 0.00 N ATOM 0 H ASN A 66 -0.331 12.012 -4.120 1.00 0.00 H new ATOM 0 HA ASN A 66 -0.954 14.889 -3.971 1.00 0.00 H new ATOM 0 HB2 ASN A 66 1.223 15.551 -4.513 1.00 0.00 H new ATOM 0 HB3 ASN A 66 1.394 14.429 -3.178 1.00 0.00 H new ATOM 0 HD21 ASN A 66 2.942 13.525 -6.900 1.00 0.00 H new ATOM 0 HD22 ASN A 66 1.772 14.833 -6.699 1.00 0.00 H new ATOM 815 N VAL A 67 -1.171 14.978 -6.461 1.00 0.00 N ATOM 816 CA VAL A 67 -1.479 14.964 -7.871 1.00 0.00 C ATOM 817 C VAL A 67 -1.467 16.393 -8.400 1.00 0.00 C ATOM 818 O VAL A 67 -2.273 17.235 -7.997 1.00 0.00 O ATOM 819 CB VAL A 67 -2.825 14.255 -8.154 1.00 0.00 C ATOM 820 CG1 VAL A 67 -3.942 14.805 -7.274 1.00 0.00 C ATOM 821 CG2 VAL A 67 -3.192 14.348 -9.629 1.00 0.00 C ATOM 0 H VAL A 67 -1.343 15.871 -5.999 1.00 0.00 H new ATOM 0 HA VAL A 67 -0.717 14.389 -8.396 1.00 0.00 H new ATOM 0 HB VAL A 67 -2.701 13.201 -7.904 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -4.873 14.284 -7.500 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.687 14.654 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.066 15.870 -7.467 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -4.142 13.842 -9.800 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.282 15.396 -9.916 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.415 13.873 -10.228 1.00 0.00 H new ATOM 831 N GLY A 68 -0.511 16.659 -9.272 1.00 0.00 N ATOM 832 CA GLY A 68 -0.251 18.011 -9.713 1.00 0.00 C ATOM 833 C GLY A 68 1.112 18.473 -9.249 1.00 0.00 C ATOM 834 O GLY A 68 1.295 19.629 -8.866 1.00 0.00 O ATOM 0 H GLY A 68 0.097 15.953 -9.687 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -0.306 18.061 -10.800 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -1.019 18.680 -9.324 1.00 0.00 H new ATOM 838 N GLY A 69 2.072 17.555 -9.269 1.00 0.00 N ATOM 839 CA GLY A 69 3.413 17.871 -8.826 1.00 0.00 C ATOM 840 C GLY A 69 4.460 17.399 -9.811 1.00 0.00 C ATOM 841 O GLY A 69 4.350 17.657 -11.011 1.00 0.00 O ATOM 0 H GLY A 69 1.942 16.594 -9.586 1.00 0.00 H new ATOM 0 HA2 GLY A 69 3.505 18.948 -8.687 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.593 17.408 -7.856 1.00 0.00 H new ATOM 845 N ASN A 70 5.477 16.711 -9.311 1.00 0.00 N ATOM 846 CA ASN A 70 6.554 16.211 -10.164 1.00 0.00 C ATOM 847 C ASN A 70 7.002 14.823 -9.723 1.00 0.00 C ATOM 848 O ASN A 70 8.104 14.376 -10.042 1.00 0.00 O ATOM 849 CB ASN A 70 7.747 17.176 -10.154 1.00 0.00 C ATOM 850 CG ASN A 70 8.498 17.184 -8.833 1.00 0.00 C ATOM 851 OD1 ASN A 70 7.926 17.467 -7.776 1.00 0.00 O ATOM 852 ND2 ASN A 70 9.787 16.885 -8.883 1.00 0.00 N ATOM 0 H ASN A 70 5.582 16.485 -8.322 1.00 0.00 H new ATOM 0 HA ASN A 70 6.167 16.142 -11.181 1.00 0.00 H new ATOM 0 HB2 ASN A 70 8.435 16.902 -10.954 1.00 0.00 H new ATOM 0 HB3 ASN A 70 7.393 18.184 -10.370 1.00 0.00 H new ATOM 0 HD21 ASN A 70 10.344 16.883 -8.028 1.00 0.00 H new ATOM 0 HD22 ASN A 70 10.223 16.656 -9.776 1.00 0.00 H new ATOM 859 N GLY A 71 6.136 14.145 -8.994 1.00 0.00 N ATOM 860 CA GLY A 71 6.456 12.829 -8.489 1.00 0.00 C ATOM 861 C GLY A 71 5.521 12.430 -7.372 1.00 0.00 C ATOM 862 O GLY A 71 4.317 12.655 -7.469 1.00 0.00 O ATOM 0 H GLY A 71 5.208 14.485 -8.740 1.00 0.00 H new ATOM 0 HA2 GLY A 71 6.392 12.101 -9.298 1.00 0.00 H new ATOM 0 HA3 GLY A 71 7.484 12.815 -8.128 1.00 0.00 H new ATOM 866 N TRP A 72 6.074 11.857 -6.313 1.00 0.00 N ATOM 867 CA TRP A 72 5.288 11.461 -5.152 1.00 0.00 C ATOM 868 C TRP A 72 6.000 11.911 -3.874 1.00 0.00 C ATOM 869 O TRP A 72 7.154 11.547 -3.638 1.00 0.00 O ATOM 870 CB TRP A 72 5.061 9.942 -5.137 1.00 0.00 C ATOM 871 CG TRP A 72 4.272 9.425 -6.312 1.00 0.00 C ATOM 872 CD1 TRP A 72 4.779 8.782 -7.408 1.00 0.00 C ATOM 873 CD2 TRP A 72 2.842 9.492 -6.514 1.00 0.00 C ATOM 874 NE1 TRP A 72 3.768 8.453 -8.276 1.00 0.00 N ATOM 875 CE2 TRP A 72 2.573 8.872 -7.753 1.00 0.00 C ATOM 876 CE3 TRP A 72 1.757 10.011 -5.782 1.00 0.00 C ATOM 877 CZ2 TRP A 72 1.284 8.754 -8.266 1.00 0.00 C ATOM 878 CZ3 TRP A 72 0.483 9.889 -6.298 1.00 0.00 C ATOM 879 CH2 TRP A 72 0.254 9.264 -7.526 1.00 0.00 C ATOM 0 H TRP A 72 7.071 11.655 -6.233 1.00 0.00 H new ATOM 0 HA TRP A 72 4.312 11.943 -5.206 1.00 0.00 H new ATOM 0 HB2 TRP A 72 6.029 9.441 -5.115 1.00 0.00 H new ATOM 0 HB3 TRP A 72 4.541 9.672 -4.218 1.00 0.00 H new ATOM 0 HD1 TRP A 72 5.825 8.564 -7.567 1.00 0.00 H new ATOM 0 HE1 TRP A 72 3.887 7.973 -9.168 1.00 0.00 H new ATOM 0 HE3 TRP A 72 1.919 10.497 -4.831 1.00 0.00 H new ATOM 0 HZ2 TRP A 72 1.104 8.275 -9.217 1.00 0.00 H new ATOM 0 HZ3 TRP A 72 -0.354 10.285 -5.741 1.00 0.00 H new ATOM 0 HH2 TRP A 72 -0.757 9.182 -7.898 1.00 0.00 H new ATOM 890 N GLY A 73 5.311 12.711 -3.063 1.00 0.00 N ATOM 891 CA GLY A 73 5.922 13.285 -1.871 1.00 0.00 C ATOM 892 C GLY A 73 5.881 12.361 -0.663 1.00 0.00 C ATOM 893 O GLY A 73 5.467 11.215 -0.770 1.00 0.00 O ATOM 0 H GLY A 73 4.336 12.974 -3.210 1.00 0.00 H new ATOM 0 HA2 GLY A 73 6.959 13.538 -2.090 1.00 0.00 H new ATOM 0 HA3 GLY A 73 5.412 14.216 -1.624 1.00 0.00 H new ATOM 897 N GLU A 74 6.344 12.853 0.478 1.00 0.00 N ATOM 898 CA GLU A 74 6.354 12.068 1.711 1.00 0.00 C ATOM 899 C GLU A 74 5.223 12.493 2.660 1.00 0.00 C ATOM 900 O GLU A 74 5.005 13.689 2.863 1.00 0.00 O ATOM 901 CB GLU A 74 7.712 12.208 2.406 1.00 0.00 C ATOM 902 CG GLU A 74 8.875 12.432 1.442 1.00 0.00 C ATOM 903 CD GLU A 74 9.566 11.142 1.052 1.00 0.00 C ATOM 904 OE1 GLU A 74 8.919 10.276 0.428 1.00 0.00 O ATOM 905 OE2 GLU A 74 10.753 10.963 1.399 1.00 0.00 O ATOM 0 H GLU A 74 6.720 13.796 0.578 1.00 0.00 H new ATOM 0 HA GLU A 74 6.188 11.023 1.448 1.00 0.00 H new ATOM 0 HB2 GLU A 74 7.667 13.041 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 74 7.905 11.309 2.991 1.00 0.00 H new ATOM 0 HG2 GLU A 74 8.507 12.928 0.544 1.00 0.00 H new ATOM 0 HG3 GLU A 74 9.600 13.103 1.903 1.00 0.00 H new ATOM 912 N ILE A 75 4.500 11.519 3.234 1.00 0.00 N ATOM 913 CA ILE A 75 3.457 11.819 4.221 1.00 0.00 C ATOM 914 C ILE A 75 3.578 10.909 5.459 1.00 0.00 C ATOM 915 O ILE A 75 4.340 11.222 6.375 1.00 0.00 O ATOM 916 CB ILE A 75 2.032 11.728 3.607 1.00 0.00 C ATOM 917 CG1 ILE A 75 1.880 12.754 2.474 1.00 0.00 C ATOM 918 CG2 ILE A 75 0.958 11.948 4.672 1.00 0.00 C ATOM 919 CD1 ILE A 75 0.447 12.992 2.041 1.00 0.00 C ATOM 0 H ILE A 75 4.618 10.526 3.033 1.00 0.00 H new ATOM 0 HA ILE A 75 3.611 12.850 4.541 1.00 0.00 H new ATOM 0 HB ILE A 75 1.899 10.726 3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 75 2.313 13.701 2.796 1.00 0.00 H new ATOM 0 HG13 ILE A 75 2.457 12.416 1.613 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -0.029 11.879 4.214 1.00 0.00 H new ATOM 0 HG22 ILE A 75 1.052 11.187 5.447 1.00 0.00 H new ATOM 0 HG23 ILE A 75 1.083 12.935 5.116 1.00 0.00 H new ATOM 0 HD11 ILE A 75 0.427 13.729 1.238 1.00 0.00 H new ATOM 0 HD12 ILE A 75 0.014 12.057 1.686 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -0.132 13.362 2.887 1.00 0.00 H new ATOM 931 N LYS A 76 2.840 9.792 5.502 1.00 0.00 N ATOM 932 CA LYS A 76 2.878 8.899 6.665 1.00 0.00 C ATOM 933 C LYS A 76 3.755 7.683 6.381 1.00 0.00 C ATOM 934 O LYS A 76 3.435 6.889 5.507 1.00 0.00 O ATOM 935 CB LYS A 76 1.460 8.454 7.039 1.00 0.00 C ATOM 936 CG LYS A 76 1.388 7.634 8.319 1.00 0.00 C ATOM 937 CD LYS A 76 1.835 8.442 9.526 1.00 0.00 C ATOM 938 CE LYS A 76 1.395 7.791 10.828 1.00 0.00 C ATOM 939 NZ LYS A 76 2.034 8.432 12.007 1.00 0.00 N ATOM 0 H LYS A 76 2.217 9.488 4.754 1.00 0.00 H new ATOM 0 HA LYS A 76 3.308 9.445 7.504 1.00 0.00 H new ATOM 0 HB2 LYS A 76 0.830 9.337 7.149 1.00 0.00 H new ATOM 0 HB3 LYS A 76 1.046 7.867 6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 76 0.367 7.285 8.472 1.00 0.00 H new ATOM 0 HG3 LYS A 76 2.016 6.748 8.220 1.00 0.00 H new ATOM 0 HD2 LYS A 76 2.920 8.541 9.517 1.00 0.00 H new ATOM 0 HD3 LYS A 76 1.422 9.449 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.311 7.858 10.920 1.00 0.00 H new ATOM 0 HE3 LYS A 76 1.648 6.731 10.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.710 7.962 12.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 3.068 8.346 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.772 9.438 12.040 1.00 0.00 H new ATOM 953 N ARG A 77 4.847 7.530 7.124 1.00 0.00 N ATOM 954 CA ARG A 77 5.816 6.475 6.834 1.00 0.00 C ATOM 955 C ARG A 77 5.979 5.487 7.989 1.00 0.00 C ATOM 956 O ARG A 77 6.384 5.866 9.089 1.00 0.00 O ATOM 957 CB ARG A 77 7.167 7.097 6.511 1.00 0.00 C ATOM 958 CG ARG A 77 7.386 7.312 5.031 1.00 0.00 C ATOM 959 CD ARG A 77 8.712 6.729 4.579 1.00 0.00 C ATOM 960 NE ARG A 77 9.760 7.740 4.540 1.00 0.00 N ATOM 961 CZ ARG A 77 9.892 8.623 3.559 1.00 0.00 C ATOM 962 NH1 ARG A 77 9.072 8.579 2.514 1.00 0.00 N ATOM 963 NH2 ARG A 77 10.851 9.540 3.612 1.00 0.00 N ATOM 0 H ARG A 77 5.083 8.116 7.924 1.00 0.00 H new ATOM 0 HA ARG A 77 5.434 5.917 5.979 1.00 0.00 H new ATOM 0 HB2 ARG A 77 7.252 8.053 7.027 1.00 0.00 H new ATOM 0 HB3 ARG A 77 7.957 6.454 6.899 1.00 0.00 H new ATOM 0 HG2 ARG A 77 6.573 6.850 4.470 1.00 0.00 H new ATOM 0 HG3 ARG A 77 7.361 8.379 4.809 1.00 0.00 H new ATOM 0 HD2 ARG A 77 9.006 5.926 5.255 1.00 0.00 H new ATOM 0 HD3 ARG A 77 8.597 6.286 3.590 1.00 0.00 H new ATOM 0 HE ARG A 77 10.429 7.771 5.309 1.00 0.00 H new ATOM 0 HH11 ARG A 77 8.343 7.867 2.467 1.00 0.00 H new ATOM 0 HH12 ARG A 77 9.172 9.257 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 77 11.488 9.566 4.408 1.00 0.00 H new ATOM 0 HH22 ARG A 77 10.951 10.218 2.856 1.00 0.00 H new ATOM 977 N ASN A 78 5.659 4.220 7.728 1.00 0.00 N ATOM 978 CA ASN A 78 5.879 3.145 8.697 1.00 0.00 C ATOM 979 C ASN A 78 6.018 1.795 7.988 1.00 0.00 C ATOM 980 O ASN A 78 5.143 1.408 7.223 1.00 0.00 O ATOM 981 CB ASN A 78 4.731 3.087 9.718 1.00 0.00 C ATOM 982 CG ASN A 78 3.353 3.193 9.084 1.00 0.00 C ATOM 983 OD1 ASN A 78 2.723 2.056 8.827 1.00 0.00 O flip ATOM 984 ND2 ASN A 78 2.855 4.290 8.832 1.00 0.00 N flip ATOM 0 H ASN A 78 5.244 3.911 6.849 1.00 0.00 H new ATOM 0 HA ASN A 78 6.807 3.358 9.228 1.00 0.00 H new ATOM 0 HB2 ASN A 78 4.796 2.152 10.274 1.00 0.00 H new ATOM 0 HB3 ASN A 78 4.854 3.895 10.439 1.00 0.00 H new ATOM 0 HD21 ASN A 78 3.370 5.145 9.044 1.00 0.00 H new ATOM 0 HD22 ASN A 78 1.927 4.344 8.411 1.00 0.00 H new ATOM 991 N ASP A 79 7.136 1.099 8.187 1.00 0.00 N ATOM 992 CA ASP A 79 7.263 -0.283 7.706 1.00 0.00 C ATOM 993 C ASP A 79 8.264 -1.076 8.527 1.00 0.00 C ATOM 994 O ASP A 79 9.383 -0.630 8.758 1.00 0.00 O ATOM 995 CB ASP A 79 7.659 -0.363 6.231 1.00 0.00 C ATOM 996 CG ASP A 79 8.090 -1.768 5.817 1.00 0.00 C ATOM 997 OD1 ASP A 79 7.525 -2.750 6.335 1.00 0.00 O ATOM 998 OD2 ASP A 79 8.990 -1.894 4.970 1.00 0.00 O ATOM 0 H ASP A 79 7.959 1.459 8.671 1.00 0.00 H new ATOM 0 HA ASP A 79 6.271 -0.720 7.821 1.00 0.00 H new ATOM 0 HB2 ASP A 79 6.817 -0.048 5.614 1.00 0.00 H new ATOM 0 HB3 ASP A 79 8.474 0.335 6.038 1.00 0.00 H new ATOM 1003 N ILE A 80 7.809 -2.215 9.012 1.00 0.00 N ATOM 1004 CA ILE A 80 8.663 -3.279 9.503 1.00 0.00 C ATOM 1005 C ILE A 80 7.824 -4.531 9.654 1.00 0.00 C ATOM 1006 O ILE A 80 8.152 -5.606 9.145 1.00 0.00 O ATOM 1007 CB ILE A 80 9.400 -2.914 10.827 1.00 0.00 C ATOM 1008 CG1 ILE A 80 10.823 -2.434 10.537 1.00 0.00 C ATOM 1009 CG2 ILE A 80 9.447 -4.091 11.789 1.00 0.00 C ATOM 1010 CD1 ILE A 80 11.298 -1.358 11.487 1.00 0.00 C ATOM 0 H ILE A 80 6.814 -2.431 9.077 1.00 0.00 H new ATOM 0 HA ILE A 80 9.459 -3.447 8.778 1.00 0.00 H new ATOM 0 HB ILE A 80 8.834 -2.110 11.298 1.00 0.00 H new ATOM 0 HG12 ILE A 80 11.504 -3.284 10.592 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.870 -2.054 9.516 1.00 0.00 H new ATOM 0 HG21 ILE A 80 9.969 -3.796 12.699 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.431 -4.399 12.036 1.00 0.00 H new ATOM 0 HG23 ILE A 80 9.975 -4.922 11.321 1.00 0.00 H new ATOM 0 HD11 ILE A 80 12.314 -1.064 11.225 1.00 0.00 H new ATOM 0 HD12 ILE A 80 10.639 -0.492 11.415 1.00 0.00 H new ATOM 0 HD13 ILE A 80 11.283 -1.741 12.507 1.00 0.00 H new ATOM 1022 N ASP A 81 6.734 -4.346 10.365 1.00 0.00 N ATOM 1023 CA ASP A 81 5.704 -5.345 10.549 1.00 0.00 C ATOM 1024 C ASP A 81 4.460 -4.584 10.969 1.00 0.00 C ATOM 1025 O ASP A 81 3.634 -5.046 11.757 1.00 0.00 O ATOM 1026 CB ASP A 81 6.129 -6.379 11.604 1.00 0.00 C ATOM 1027 CG ASP A 81 6.150 -5.827 13.023 1.00 0.00 C ATOM 1028 OD1 ASP A 81 6.667 -4.710 13.227 1.00 0.00 O ATOM 1029 OD2 ASP A 81 5.665 -6.516 13.946 1.00 0.00 O ATOM 0 H ASP A 81 6.534 -3.469 10.846 1.00 0.00 H new ATOM 0 HA ASP A 81 5.520 -5.912 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 81 5.447 -7.229 11.563 1.00 0.00 H new ATOM 0 HB3 ASP A 81 7.121 -6.754 11.354 1.00 0.00 H new ATOM 1034 N LYS A 82 4.333 -3.405 10.373 1.00 0.00 N ATOM 1035 CA LYS A 82 3.446 -2.367 10.884 1.00 0.00 C ATOM 1036 C LYS A 82 2.198 -2.221 10.031 1.00 0.00 C ATOM 1037 O LYS A 82 2.282 -1.896 8.846 1.00 0.00 O ATOM 1038 CB LYS A 82 4.194 -1.030 10.951 1.00 0.00 C ATOM 1039 CG LYS A 82 4.797 -0.743 12.312 1.00 0.00 C ATOM 1040 CD LYS A 82 6.228 -0.240 12.204 1.00 0.00 C ATOM 1041 CE LYS A 82 6.984 -0.455 13.505 1.00 0.00 C ATOM 1042 NZ LYS A 82 8.251 0.324 13.552 1.00 0.00 N ATOM 0 H LYS A 82 4.838 -3.142 9.527 1.00 0.00 H new ATOM 0 HA LYS A 82 3.130 -2.662 11.885 1.00 0.00 H new ATOM 0 HB2 LYS A 82 4.987 -1.028 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 82 3.507 -0.225 10.689 1.00 0.00 H new ATOM 0 HG2 LYS A 82 4.189 -0.000 12.829 1.00 0.00 H new ATOM 0 HG3 LYS A 82 4.776 -1.649 12.917 1.00 0.00 H new ATOM 0 HD2 LYS A 82 6.739 -0.759 11.393 1.00 0.00 H new ATOM 0 HD3 LYS A 82 6.226 0.821 11.952 1.00 0.00 H new ATOM 0 HE2 LYS A 82 6.350 -0.167 14.344 1.00 0.00 H new ATOM 0 HE3 LYS A 82 7.206 -1.515 13.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 8.734 0.148 14.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 8.868 0.031 12.767 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 8.038 1.338 13.465 1.00 0.00 H new ATOM 1056 N PRO A 83 1.027 -2.476 10.628 1.00 0.00 N ATOM 1057 CA PRO A 83 -0.260 -2.303 9.975 1.00 0.00 C ATOM 1058 C PRO A 83 -0.784 -0.882 10.116 1.00 0.00 C ATOM 1059 O PRO A 83 -1.231 -0.475 11.192 1.00 0.00 O ATOM 1060 CB PRO A 83 -1.178 -3.291 10.716 1.00 0.00 C ATOM 1061 CG PRO A 83 -0.382 -3.828 11.873 1.00 0.00 C ATOM 1062 CD PRO A 83 0.853 -2.977 11.991 1.00 0.00 C ATOM 0 HA PRO A 83 -0.202 -2.485 8.902 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -2.082 -2.793 11.065 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -1.494 -4.098 10.055 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -0.965 -3.790 12.793 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -0.116 -4.872 11.707 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.719 -2.166 12.707 1.00 0.00 H new ATOM 0 HD3 PRO A 83 1.714 -3.557 12.323 1.00 0.00 H new ATOM 1070 N LEU A 84 -0.724 -0.133 9.027 1.00 0.00 N ATOM 1071 CA LEU A 84 -1.197 1.239 9.017 1.00 0.00 C ATOM 1072 C LEU A 84 -2.711 1.267 8.879 1.00 0.00 C ATOM 1073 O LEU A 84 -3.253 1.004 7.804 1.00 0.00 O ATOM 1074 CB LEU A 84 -0.543 2.020 7.874 1.00 0.00 C ATOM 1075 CG LEU A 84 -0.933 3.497 7.784 1.00 0.00 C ATOM 1076 CD1 LEU A 84 -0.589 4.227 9.076 1.00 0.00 C ATOM 1077 CD2 LEU A 84 -0.242 4.152 6.601 1.00 0.00 C ATOM 0 H LEU A 84 -0.350 -0.456 8.135 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.922 1.712 9.960 1.00 0.00 H new ATOM 0 HB2 LEU A 84 0.539 1.953 7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -0.799 1.536 6.932 1.00 0.00 H new ATOM 0 HG LEU A 84 -2.011 3.560 7.637 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -0.875 5.275 8.989 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.129 3.771 9.906 1.00 0.00 H new ATOM 0 HD13 LEU A 84 0.483 4.158 9.259 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -0.528 5.202 6.548 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.838 4.076 6.723 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -0.540 3.648 5.681 1.00 0.00 H new ATOM 1089 N LYS A 85 -3.388 1.544 9.980 1.00 0.00 N ATOM 1090 CA LYS A 85 -4.831 1.668 9.972 1.00 0.00 C ATOM 1091 C LYS A 85 -5.218 3.074 9.552 1.00 0.00 C ATOM 1092 O LYS A 85 -4.677 4.054 10.066 1.00 0.00 O ATOM 1093 CB LYS A 85 -5.409 1.351 11.353 1.00 0.00 C ATOM 1094 CG LYS A 85 -5.966 -0.059 11.476 1.00 0.00 C ATOM 1095 CD LYS A 85 -5.884 -0.570 12.907 1.00 0.00 C ATOM 1096 CE LYS A 85 -4.661 -1.448 13.118 1.00 0.00 C ATOM 1097 NZ LYS A 85 -4.187 -1.412 14.526 1.00 0.00 N ATOM 0 H LYS A 85 -2.957 1.687 10.893 1.00 0.00 H new ATOM 0 HA LYS A 85 -5.241 0.953 9.259 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -4.631 1.491 12.103 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -6.201 2.065 11.578 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -7.004 -0.071 11.143 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -5.412 -0.728 10.818 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -5.849 0.275 13.594 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.785 -1.136 13.144 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.900 -2.475 12.842 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.859 -1.118 12.457 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -3.352 -2.024 14.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.934 -0.436 14.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -4.942 -1.751 15.155 1.00 0.00 H new ATOM 1111 N TYR A 86 -6.148 3.165 8.621 1.00 0.00 N ATOM 1112 CA TYR A 86 -6.553 4.444 8.064 1.00 0.00 C ATOM 1113 C TYR A 86 -7.336 5.264 9.077 1.00 0.00 C ATOM 1114 O TYR A 86 -8.160 4.738 9.830 1.00 0.00 O ATOM 1115 CB TYR A 86 -7.401 4.231 6.808 1.00 0.00 C ATOM 1116 CG TYR A 86 -8.536 3.248 6.997 1.00 0.00 C ATOM 1117 CD1 TYR A 86 -8.341 1.891 6.783 1.00 0.00 C ATOM 1118 CD2 TYR A 86 -9.799 3.676 7.379 1.00 0.00 C ATOM 1119 CE1 TYR A 86 -9.368 0.988 6.947 1.00 0.00 C ATOM 1120 CE2 TYR A 86 -10.834 2.779 7.545 1.00 0.00 C ATOM 1121 CZ TYR A 86 -10.613 1.435 7.327 1.00 0.00 C ATOM 1122 OH TYR A 86 -11.643 0.538 7.476 1.00 0.00 O ATOM 0 H TYR A 86 -6.642 2.362 8.231 1.00 0.00 H new ATOM 0 HA TYR A 86 -5.649 4.994 7.802 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -7.812 5.190 6.491 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -6.758 3.878 6.002 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -7.366 1.536 6.482 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -9.975 4.728 7.549 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -9.197 -0.065 6.778 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -11.812 3.127 7.844 1.00 0.00 H new ATOM 0 HH TYR A 86 -12.455 1.014 7.749 1.00 0.00 H new ATOM 1132 N GLU A 87 -7.056 6.549 9.105 1.00 0.00 N ATOM 1133 CA GLU A 87 -7.839 7.477 9.894 1.00 0.00 C ATOM 1134 C GLU A 87 -8.779 8.235 8.968 1.00 0.00 C ATOM 1135 O GLU A 87 -8.861 7.923 7.777 1.00 0.00 O ATOM 1136 CB GLU A 87 -6.925 8.442 10.647 1.00 0.00 C ATOM 1137 CG GLU A 87 -5.924 7.740 11.552 1.00 0.00 C ATOM 1138 CD GLU A 87 -4.931 8.698 12.175 1.00 0.00 C ATOM 1139 OE1 GLU A 87 -5.364 9.666 12.838 1.00 0.00 O ATOM 1140 OE2 GLU A 87 -3.712 8.492 12.002 1.00 0.00 O ATOM 0 H GLU A 87 -6.288 6.977 8.588 1.00 0.00 H new ATOM 0 HA GLU A 87 -8.423 6.929 10.634 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.385 9.056 9.927 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.536 9.117 11.247 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -6.460 7.214 12.342 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -5.385 6.987 10.977 1.00 0.00 H new ATOM 1147 N ASP A 88 -9.485 9.216 9.491 1.00 0.00 N ATOM 1148 CA ASP A 88 -10.374 10.008 8.664 1.00 0.00 C ATOM 1149 C ASP A 88 -9.684 11.308 8.273 1.00 0.00 C ATOM 1150 O ASP A 88 -9.155 12.033 9.117 1.00 0.00 O ATOM 1151 CB ASP A 88 -11.718 10.240 9.373 1.00 0.00 C ATOM 1152 CG ASP A 88 -11.864 11.613 9.997 1.00 0.00 C ATOM 1153 OD1 ASP A 88 -11.375 11.810 11.131 1.00 0.00 O ATOM 1154 OD2 ASP A 88 -12.496 12.489 9.372 1.00 0.00 O ATOM 0 H ASP A 88 -9.462 9.483 10.475 1.00 0.00 H new ATOM 0 HA ASP A 88 -10.601 9.465 7.746 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -12.525 10.092 8.655 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -11.841 9.486 10.150 1.00 0.00 H new ATOM 1159 N TYR A 89 -9.638 11.565 6.978 1.00 0.00 N ATOM 1160 CA TYR A 89 -8.923 12.718 6.454 1.00 0.00 C ATOM 1161 C TYR A 89 -9.872 13.631 5.694 1.00 0.00 C ATOM 1162 O TYR A 89 -10.120 14.761 6.116 1.00 0.00 O ATOM 1163 CB TYR A 89 -7.778 12.260 5.541 1.00 0.00 C ATOM 1164 CG TYR A 89 -6.985 11.096 6.099 1.00 0.00 C ATOM 1165 CD1 TYR A 89 -6.166 11.254 7.211 1.00 0.00 C ATOM 1166 CD2 TYR A 89 -7.066 9.836 5.520 1.00 0.00 C ATOM 1167 CE1 TYR A 89 -5.452 10.190 7.729 1.00 0.00 C ATOM 1168 CE2 TYR A 89 -6.358 8.768 6.034 1.00 0.00 C ATOM 1169 CZ TYR A 89 -5.552 8.950 7.138 1.00 0.00 C ATOM 1170 OH TYR A 89 -4.855 7.883 7.655 1.00 0.00 O ATOM 0 H TYR A 89 -10.089 10.989 6.267 1.00 0.00 H new ATOM 0 HA TYR A 89 -8.502 13.277 7.290 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -8.188 11.977 4.572 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -7.104 13.099 5.369 1.00 0.00 H new ATOM 0 HD1 TYR A 89 -6.086 12.225 7.678 1.00 0.00 H new ATOM 0 HD2 TYR A 89 -7.693 9.689 4.653 1.00 0.00 H new ATOM 0 HE1 TYR A 89 -4.819 10.330 8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 89 -6.435 7.794 5.573 1.00 0.00 H new ATOM 0 HH TYR A 89 -5.038 7.083 7.120 1.00 0.00 H new ATOM 1180 N TYR A 90 -10.388 13.130 4.565 1.00 0.00 N ATOM 1181 CA TYR A 90 -11.380 13.846 3.748 1.00 0.00 C ATOM 1182 C TYR A 90 -10.771 15.064 3.048 1.00 0.00 C ATOM 1183 O TYR A 90 -11.450 15.758 2.290 1.00 0.00 O ATOM 1184 CB TYR A 90 -12.574 14.286 4.599 1.00 0.00 C ATOM 1185 CG TYR A 90 -13.543 13.175 4.952 1.00 0.00 C ATOM 1186 CD1 TYR A 90 -13.277 11.840 4.641 1.00 0.00 C ATOM 1187 CD2 TYR A 90 -14.732 13.468 5.600 1.00 0.00 C ATOM 1188 CE1 TYR A 90 -14.174 10.840 4.971 1.00 0.00 C ATOM 1189 CE2 TYR A 90 -15.629 12.477 5.931 1.00 0.00 C ATOM 1190 CZ TYR A 90 -15.349 11.166 5.617 1.00 0.00 C ATOM 1191 OH TYR A 90 -16.248 10.179 5.956 1.00 0.00 O ATOM 0 H TYR A 90 -10.131 12.217 4.191 1.00 0.00 H new ATOM 0 HA TYR A 90 -11.722 13.149 2.983 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -12.201 14.731 5.521 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -13.116 15.066 4.065 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -12.358 11.584 4.135 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -14.960 14.494 5.850 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -13.956 9.811 4.725 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -16.550 12.728 6.436 1.00 0.00 H new ATOM 0 HH TYR A 90 -17.021 10.581 6.406 1.00 0.00 H new ATOM 1201 N THR A 91 -9.500 15.317 3.304 1.00 0.00 N ATOM 1202 CA THR A 91 -8.815 16.461 2.736 1.00 0.00 C ATOM 1203 C THR A 91 -8.382 16.186 1.299 1.00 0.00 C ATOM 1204 O THR A 91 -7.276 15.702 1.057 1.00 0.00 O ATOM 1205 CB THR A 91 -7.586 16.822 3.588 1.00 0.00 C ATOM 1206 OG1 THR A 91 -7.428 15.851 4.636 1.00 0.00 O ATOM 1207 CG2 THR A 91 -7.737 18.212 4.188 1.00 0.00 C ATOM 0 H THR A 91 -8.917 14.738 3.908 1.00 0.00 H new ATOM 0 HA THR A 91 -9.511 17.300 2.732 1.00 0.00 H new ATOM 0 HB THR A 91 -6.703 16.818 2.950 1.00 0.00 H new ATOM 0 HG1 THR A 91 -6.644 16.080 5.178 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.857 18.447 4.787 1.00 0.00 H new ATOM 0 HG22 THR A 91 -7.838 18.945 3.387 1.00 0.00 H new ATOM 0 HG23 THR A 91 -8.624 18.241 4.820 1.00 0.00 H new ATOM 1215 N SER A 92 -9.274 16.491 0.356 1.00 0.00 N ATOM 1216 CA SER A 92 -9.011 16.301 -1.067 1.00 0.00 C ATOM 1217 C SER A 92 -8.697 14.837 -1.371 1.00 0.00 C ATOM 1218 O SER A 92 -7.604 14.501 -1.839 1.00 0.00 O ATOM 1219 CB SER A 92 -7.867 17.213 -1.526 1.00 0.00 C ATOM 1220 OG SER A 92 -7.878 18.441 -0.809 1.00 0.00 O ATOM 0 H SER A 92 -10.197 16.876 0.559 1.00 0.00 H new ATOM 0 HA SER A 92 -9.909 16.573 -1.622 1.00 0.00 H new ATOM 0 HB2 SER A 92 -6.912 16.709 -1.377 1.00 0.00 H new ATOM 0 HB3 SER A 92 -7.960 17.410 -2.594 1.00 0.00 H new ATOM 0 HG SER A 92 -7.139 19.006 -1.117 1.00 0.00 H new ATOM 1226 N GLY A 93 -9.669 13.974 -1.101 1.00 0.00 N ATOM 1227 CA GLY A 93 -9.487 12.549 -1.305 1.00 0.00 C ATOM 1228 C GLY A 93 -9.565 12.154 -2.768 1.00 0.00 C ATOM 1229 O GLY A 93 -10.586 11.641 -3.229 1.00 0.00 O ATOM 0 H GLY A 93 -10.586 14.238 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -8.519 12.249 -0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -10.248 12.005 -0.745 1.00 0.00 H new ATOM 1233 N LEU A 94 -8.491 12.410 -3.497 1.00 0.00 N ATOM 1234 CA LEU A 94 -8.425 12.070 -4.910 1.00 0.00 C ATOM 1235 C LEU A 94 -7.682 10.754 -5.108 1.00 0.00 C ATOM 1236 O LEU A 94 -8.189 9.690 -4.758 1.00 0.00 O ATOM 1237 CB LEU A 94 -7.745 13.200 -5.691 1.00 0.00 C ATOM 1238 CG LEU A 94 -8.609 13.843 -6.776 1.00 0.00 C ATOM 1239 CD1 LEU A 94 -9.299 15.088 -6.239 1.00 0.00 C ATOM 1240 CD2 LEU A 94 -7.762 14.172 -7.996 1.00 0.00 C ATOM 0 H LEU A 94 -7.649 12.854 -3.132 1.00 0.00 H new ATOM 0 HA LEU A 94 -9.439 11.947 -5.290 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -7.436 13.973 -4.988 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.839 12.808 -6.153 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.381 13.134 -7.077 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -9.910 15.533 -7.025 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -9.934 14.817 -5.395 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -8.548 15.807 -5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.389 14.629 -8.762 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.970 14.866 -7.713 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -7.319 13.257 -8.389 1.00 0.00 H new ATOM 1252 N SER A 95 -6.480 10.826 -5.656 1.00 0.00 N ATOM 1253 CA SER A 95 -5.679 9.640 -5.895 1.00 0.00 C ATOM 1254 C SER A 95 -4.732 9.383 -4.729 1.00 0.00 C ATOM 1255 O SER A 95 -3.896 10.226 -4.398 1.00 0.00 O ATOM 1256 CB SER A 95 -4.889 9.810 -7.191 1.00 0.00 C ATOM 1257 OG SER A 95 -5.404 10.890 -7.954 1.00 0.00 O ATOM 0 H SER A 95 -6.037 11.698 -5.944 1.00 0.00 H new ATOM 0 HA SER A 95 -6.343 8.780 -5.987 1.00 0.00 H new ATOM 0 HB2 SER A 95 -3.838 9.989 -6.962 1.00 0.00 H new ATOM 0 HB3 SER A 95 -4.936 8.891 -7.775 1.00 0.00 H new ATOM 0 HG SER A 95 -4.884 10.985 -8.779 1.00 0.00 H new ATOM 1263 N TRP A 96 -4.877 8.224 -4.101 1.00 0.00 N ATOM 1264 CA TRP A 96 -4.006 7.831 -3.004 1.00 0.00 C ATOM 1265 C TRP A 96 -2.952 6.866 -3.507 1.00 0.00 C ATOM 1266 O TRP A 96 -3.192 6.101 -4.444 1.00 0.00 O ATOM 1267 CB TRP A 96 -4.800 7.166 -1.875 1.00 0.00 C ATOM 1268 CG TRP A 96 -5.950 7.983 -1.364 1.00 0.00 C ATOM 1269 CD1 TRP A 96 -7.137 8.214 -1.996 1.00 0.00 C ATOM 1270 CD2 TRP A 96 -6.026 8.659 -0.104 1.00 0.00 C ATOM 1271 NE1 TRP A 96 -7.943 9.001 -1.212 1.00 0.00 N ATOM 1272 CE2 TRP A 96 -7.286 9.288 -0.046 1.00 0.00 C ATOM 1273 CE3 TRP A 96 -5.151 8.798 0.981 1.00 0.00 C ATOM 1274 CZ2 TRP A 96 -7.691 10.042 1.052 1.00 0.00 C ATOM 1275 CZ3 TRP A 96 -5.558 9.547 2.070 1.00 0.00 C ATOM 1276 CH2 TRP A 96 -6.818 10.160 2.098 1.00 0.00 C ATOM 0 H TRP A 96 -5.594 7.537 -4.335 1.00 0.00 H new ATOM 0 HA TRP A 96 -3.533 8.731 -2.612 1.00 0.00 H new ATOM 0 HB2 TRP A 96 -5.180 6.208 -2.229 1.00 0.00 H new ATOM 0 HB3 TRP A 96 -4.124 6.954 -1.047 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -7.403 7.833 -2.971 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -8.880 9.320 -1.458 1.00 0.00 H new ATOM 0 HE3 TRP A 96 -4.178 8.330 0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -8.661 10.517 1.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 -4.893 9.662 2.914 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -7.106 10.738 2.964 1.00 0.00 H new ATOM 1287 N ILE A 97 -1.792 6.902 -2.888 1.00 0.00 N ATOM 1288 CA ILE A 97 -0.699 6.056 -3.301 1.00 0.00 C ATOM 1289 C ILE A 97 -0.081 5.319 -2.111 1.00 0.00 C ATOM 1290 O ILE A 97 0.078 5.881 -1.019 1.00 0.00 O ATOM 1291 CB ILE A 97 0.377 6.884 -4.035 1.00 0.00 C ATOM 1292 CG1 ILE A 97 1.273 5.977 -4.892 1.00 0.00 C ATOM 1293 CG2 ILE A 97 1.196 7.693 -3.049 1.00 0.00 C ATOM 1294 CD1 ILE A 97 2.756 6.089 -4.586 1.00 0.00 C ATOM 0 H ILE A 97 -1.583 7.510 -2.096 1.00 0.00 H new ATOM 0 HA ILE A 97 -1.099 5.309 -3.987 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.125 7.583 -4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 97 0.963 4.942 -4.750 1.00 0.00 H new ATOM 0 HG13 ILE A 97 1.112 6.217 -5.943 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.949 8.269 -3.587 1.00 0.00 H new ATOM 0 HG22 ILE A 97 0.541 8.372 -2.503 1.00 0.00 H new ATOM 0 HG23 ILE A 97 1.688 7.020 -2.347 1.00 0.00 H new ATOM 0 HD11 ILE A 97 3.314 5.415 -5.236 1.00 0.00 H new ATOM 0 HD12 ILE A 97 3.086 7.114 -4.756 1.00 0.00 H new ATOM 0 HD13 ILE A 97 2.934 5.819 -3.545 1.00 0.00 H new ATOM 1306 N TRP A 98 0.218 4.047 -2.323 1.00 0.00 N ATOM 1307 CA TRP A 98 1.011 3.274 -1.384 1.00 0.00 C ATOM 1308 C TRP A 98 2.474 3.343 -1.811 1.00 0.00 C ATOM 1309 O TRP A 98 2.928 2.544 -2.633 1.00 0.00 O ATOM 1310 CB TRP A 98 0.557 1.812 -1.362 1.00 0.00 C ATOM 1311 CG TRP A 98 -0.620 1.523 -0.474 1.00 0.00 C ATOM 1312 CD1 TRP A 98 -1.644 0.660 -0.747 1.00 0.00 C ATOM 1313 CD2 TRP A 98 -0.896 2.068 0.829 1.00 0.00 C ATOM 1314 NE1 TRP A 98 -2.533 0.630 0.298 1.00 0.00 N ATOM 1315 CE2 TRP A 98 -2.098 1.481 1.277 1.00 0.00 C ATOM 1316 CE3 TRP A 98 -0.249 2.987 1.663 1.00 0.00 C ATOM 1317 CZ2 TRP A 98 -2.662 1.785 2.512 1.00 0.00 C ATOM 1318 CZ3 TRP A 98 -0.813 3.285 2.888 1.00 0.00 C ATOM 1319 CH2 TRP A 98 -2.007 2.684 3.304 1.00 0.00 C ATOM 0 H TRP A 98 -0.081 3.525 -3.147 1.00 0.00 H new ATOM 0 HA TRP A 98 0.884 3.688 -0.384 1.00 0.00 H new ATOM 0 HB2 TRP A 98 0.308 1.510 -2.379 1.00 0.00 H new ATOM 0 HB3 TRP A 98 1.395 1.192 -1.042 1.00 0.00 H new ATOM 0 HD1 TRP A 98 -1.740 0.084 -1.655 1.00 0.00 H new ATOM 0 HE1 TRP A 98 -3.381 0.065 0.338 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.674 3.455 1.354 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 -3.585 1.326 2.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -0.323 3.995 3.538 1.00 0.00 H new ATOM 0 HH2 TRP A 98 -2.418 2.936 4.270 1.00 0.00 H new ATOM 1330 N LYS A 99 3.200 4.317 -1.288 1.00 0.00 N ATOM 1331 CA LYS A 99 4.595 4.496 -1.664 1.00 0.00 C ATOM 1332 C LYS A 99 5.487 3.600 -0.816 1.00 0.00 C ATOM 1333 O LYS A 99 5.298 3.488 0.393 1.00 0.00 O ATOM 1334 CB LYS A 99 5.010 5.965 -1.506 1.00 0.00 C ATOM 1335 CG LYS A 99 6.032 6.428 -2.537 1.00 0.00 C ATOM 1336 CD LYS A 99 7.174 7.203 -1.892 1.00 0.00 C ATOM 1337 CE LYS A 99 7.134 8.675 -2.274 1.00 0.00 C ATOM 1338 NZ LYS A 99 8.428 9.361 -2.012 1.00 0.00 N ATOM 0 H LYS A 99 2.851 4.992 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 99 4.711 4.216 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 99 4.123 6.594 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 99 5.422 6.111 -0.508 1.00 0.00 H new ATOM 0 HG2 LYS A 99 6.433 5.563 -3.066 1.00 0.00 H new ATOM 0 HG3 LYS A 99 5.540 7.056 -3.280 1.00 0.00 H new ATOM 0 HD2 LYS A 99 7.115 7.106 -0.808 1.00 0.00 H new ATOM 0 HD3 LYS A 99 8.127 6.772 -2.199 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.884 8.767 -3.331 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.342 9.172 -1.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 8.595 10.079 -2.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 8.395 9.820 -1.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 9.200 8.664 -2.028 1.00 0.00 H new ATOM 1352 N ILE A 100 6.436 2.942 -1.458 1.00 0.00 N ATOM 1353 CA ILE A 100 7.400 2.115 -0.750 1.00 0.00 C ATOM 1354 C ILE A 100 8.799 2.661 -0.965 1.00 0.00 C ATOM 1355 O ILE A 100 9.341 2.575 -2.067 1.00 0.00 O ATOM 1356 CB ILE A 100 7.344 0.641 -1.208 1.00 0.00 C ATOM 1357 CG1 ILE A 100 5.912 0.109 -1.113 1.00 0.00 C ATOM 1358 CG2 ILE A 100 8.287 -0.212 -0.366 1.00 0.00 C ATOM 1359 CD1 ILE A 100 5.644 -1.079 -2.008 1.00 0.00 C ATOM 0 H ILE A 100 6.561 2.964 -2.470 1.00 0.00 H new ATOM 0 HA ILE A 100 7.145 2.144 0.309 1.00 0.00 H new ATOM 0 HB ILE A 100 7.665 0.587 -2.248 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.706 -0.172 -0.080 1.00 0.00 H new ATOM 0 HG13 ILE A 100 5.219 0.910 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 100 8.237 -1.248 -0.700 1.00 0.00 H new ATOM 0 HG22 ILE A 100 9.307 0.156 -0.477 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.992 -0.154 0.682 1.00 0.00 H new ATOM 0 HD11 ILE A 100 4.610 -1.400 -1.886 1.00 0.00 H new ATOM 0 HD12 ILE A 100 5.817 -0.798 -3.047 1.00 0.00 H new ATOM 0 HD13 ILE A 100 6.312 -1.897 -1.737 1.00 0.00 H new ATOM 1371 N LYS A 101 9.361 3.247 0.085 1.00 0.00 N ATOM 1372 CA LYS A 101 10.701 3.813 0.019 1.00 0.00 C ATOM 1373 C LYS A 101 11.694 2.868 0.678 1.00 0.00 C ATOM 1374 O LYS A 101 11.649 2.644 1.892 1.00 0.00 O ATOM 1375 CB LYS A 101 10.734 5.193 0.689 1.00 0.00 C ATOM 1376 CG LYS A 101 12.119 5.829 0.745 1.00 0.00 C ATOM 1377 CD LYS A 101 12.067 7.218 1.366 1.00 0.00 C ATOM 1378 CE LYS A 101 12.922 8.215 0.596 1.00 0.00 C ATOM 1379 NZ LYS A 101 12.098 9.217 -0.136 1.00 0.00 N ATOM 0 H LYS A 101 8.908 3.342 0.994 1.00 0.00 H new ATOM 0 HA LYS A 101 10.982 3.939 -1.027 1.00 0.00 H new ATOM 0 HB2 LYS A 101 10.061 5.861 0.152 1.00 0.00 H new ATOM 0 HB3 LYS A 101 10.348 5.101 1.704 1.00 0.00 H new ATOM 0 HG2 LYS A 101 12.789 5.194 1.325 1.00 0.00 H new ATOM 0 HG3 LYS A 101 12.532 5.894 -0.261 1.00 0.00 H new ATOM 0 HD2 LYS A 101 11.035 7.567 1.390 1.00 0.00 H new ATOM 0 HD3 LYS A 101 12.410 7.167 2.399 1.00 0.00 H new ATOM 0 HE2 LYS A 101 13.588 8.731 1.288 1.00 0.00 H new ATOM 0 HE3 LYS A 101 13.553 7.679 -0.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 12.672 9.660 -0.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 11.277 8.744 -0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 11.769 9.947 0.527 1.00 0.00 H new ATOM 1393 N ASN A 102 12.572 2.307 -0.134 1.00 0.00 N ATOM 1394 CA ASN A 102 13.528 1.315 0.332 1.00 0.00 C ATOM 1395 C ASN A 102 14.896 1.944 0.572 1.00 0.00 C ATOM 1396 O ASN A 102 15.459 2.591 -0.315 1.00 0.00 O ATOM 1397 CB ASN A 102 13.623 0.183 -0.690 1.00 0.00 C ATOM 1398 CG ASN A 102 14.669 -0.861 -0.337 1.00 0.00 C ATOM 1399 OD1 ASN A 102 15.013 -1.053 0.832 1.00 0.00 O ATOM 1400 ND2 ASN A 102 15.187 -1.539 -1.350 1.00 0.00 N ATOM 0 H ASN A 102 12.644 2.523 -1.128 1.00 0.00 H new ATOM 0 HA ASN A 102 13.183 0.910 1.283 1.00 0.00 H new ATOM 0 HB2 ASN A 102 12.651 -0.302 -0.776 1.00 0.00 H new ATOM 0 HB3 ASN A 102 13.856 0.605 -1.668 1.00 0.00 H new ATOM 0 HD21 ASN A 102 15.898 -2.250 -1.177 1.00 0.00 H new ATOM 0 HD22 ASN A 102 14.875 -1.350 -2.303 1.00 0.00 H new ATOM 1407 N ASN A 103 15.416 1.752 1.779 1.00 0.00 N ATOM 1408 CA ASN A 103 16.689 2.344 2.178 1.00 0.00 C ATOM 1409 C ASN A 103 17.857 1.474 1.743 1.00 0.00 C ATOM 1410 O ASN A 103 18.963 1.969 1.518 1.00 0.00 O ATOM 1411 CB ASN A 103 16.740 2.535 3.693 1.00 0.00 C ATOM 1412 CG ASN A 103 16.026 3.794 4.142 1.00 0.00 C ATOM 1413 OD1 ASN A 103 16.383 4.902 3.738 1.00 0.00 O ATOM 1414 ND2 ASN A 103 15.006 3.635 4.974 1.00 0.00 N ATOM 0 H ASN A 103 14.972 1.187 2.503 1.00 0.00 H new ATOM 0 HA ASN A 103 16.769 3.314 1.687 1.00 0.00 H new ATOM 0 HB2 ASN A 103 16.288 1.671 4.181 1.00 0.00 H new ATOM 0 HB3 ASN A 103 17.780 2.576 4.016 1.00 0.00 H new ATOM 0 HD21 ASN A 103 14.485 4.448 5.303 1.00 0.00 H new ATOM 0 HD22 ASN A 103 14.742 2.700 5.285 1.00 0.00 H new ATOM 1421 N SER A 104 17.604 0.179 1.633 1.00 0.00 N ATOM 1422 CA SER A 104 18.632 -0.774 1.254 1.00 0.00 C ATOM 1423 C SER A 104 18.983 -0.613 -0.219 1.00 0.00 C ATOM 1424 O SER A 104 18.105 -0.411 -1.054 1.00 0.00 O ATOM 1425 CB SER A 104 18.144 -2.194 1.539 1.00 0.00 C ATOM 1426 OG SER A 104 16.989 -2.173 2.366 1.00 0.00 O ATOM 0 H SER A 104 16.688 -0.237 1.803 1.00 0.00 H new ATOM 0 HA SER A 104 19.531 -0.585 1.841 1.00 0.00 H new ATOM 0 HB2 SER A 104 17.916 -2.700 0.601 1.00 0.00 H new ATOM 0 HB3 SER A 104 18.935 -2.765 2.025 1.00 0.00 H new ATOM 0 HG SER A 104 16.206 -1.930 1.829 1.00 0.00 H new ATOM 1432 N SER A 105 20.268 -0.696 -0.533 1.00 0.00 N ATOM 1433 CA SER A 105 20.733 -0.552 -1.904 1.00 0.00 C ATOM 1434 C SER A 105 20.572 -1.868 -2.665 1.00 0.00 C ATOM 1435 O SER A 105 20.735 -1.921 -3.885 1.00 0.00 O ATOM 1436 CB SER A 105 22.198 -0.105 -1.910 1.00 0.00 C ATOM 1437 OG SER A 105 22.470 0.770 -0.821 1.00 0.00 O ATOM 0 H SER A 105 21.010 -0.863 0.147 1.00 0.00 H new ATOM 0 HA SER A 105 20.130 0.206 -2.404 1.00 0.00 H new ATOM 0 HB2 SER A 105 22.848 -0.978 -1.851 1.00 0.00 H new ATOM 0 HB3 SER A 105 22.424 0.398 -2.850 1.00 0.00 H new ATOM 0 HG SER A 105 23.412 1.040 -0.846 1.00 0.00 H new ATOM 1443 N GLU A 106 20.243 -2.921 -1.931 1.00 0.00 N ATOM 1444 CA GLU A 106 20.022 -4.232 -2.523 1.00 0.00 C ATOM 1445 C GLU A 106 18.532 -4.480 -2.720 1.00 0.00 C ATOM 1446 O GLU A 106 17.696 -3.822 -2.091 1.00 0.00 O ATOM 1447 CB GLU A 106 20.616 -5.325 -1.635 1.00 0.00 C ATOM 1448 CG GLU A 106 22.099 -5.151 -1.360 1.00 0.00 C ATOM 1449 CD GLU A 106 22.476 -5.533 0.053 1.00 0.00 C ATOM 1450 OE1 GLU A 106 22.738 -6.728 0.300 1.00 0.00 O ATOM 1451 OE2 GLU A 106 22.518 -4.640 0.922 1.00 0.00 O ATOM 0 H GLU A 106 20.123 -2.892 -0.919 1.00 0.00 H new ATOM 0 HA GLU A 106 20.517 -4.258 -3.494 1.00 0.00 H new ATOM 0 HB2 GLU A 106 20.079 -5.341 -0.686 1.00 0.00 H new ATOM 0 HB3 GLU A 106 20.455 -6.293 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 106 22.669 -5.760 -2.062 1.00 0.00 H new ATOM 0 HG3 GLU A 106 22.379 -4.113 -1.539 1.00 0.00 H new ATOM 1458 N THR A 107 18.205 -5.423 -3.592 1.00 0.00 N ATOM 1459 CA THR A 107 16.822 -5.787 -3.846 1.00 0.00 C ATOM 1460 C THR A 107 16.188 -6.376 -2.592 1.00 0.00 C ATOM 1461 O THR A 107 16.735 -7.293 -1.976 1.00 0.00 O ATOM 1462 CB THR A 107 16.710 -6.806 -4.996 1.00 0.00 C ATOM 1463 OG1 THR A 107 17.839 -6.693 -5.874 1.00 0.00 O ATOM 1464 CG2 THR A 107 15.429 -6.594 -5.787 1.00 0.00 C ATOM 0 H THR A 107 18.885 -5.952 -4.138 1.00 0.00 H new ATOM 0 HA THR A 107 16.294 -4.878 -4.133 1.00 0.00 H new ATOM 0 HB THR A 107 16.691 -7.804 -4.558 1.00 0.00 H new ATOM 0 HG1 THR A 107 17.756 -7.347 -6.599 1.00 0.00 H new ATOM 0 HG21 THR A 107 15.374 -7.326 -6.593 1.00 0.00 H new ATOM 0 HG22 THR A 107 14.570 -6.715 -5.127 1.00 0.00 H new ATOM 0 HG23 THR A 107 15.424 -5.589 -6.209 1.00 0.00 H new ATOM 1472 N SER A 108 15.051 -5.831 -2.208 1.00 0.00 N ATOM 1473 CA SER A 108 14.349 -6.296 -1.028 1.00 0.00 C ATOM 1474 C SER A 108 12.988 -6.854 -1.420 1.00 0.00 C ATOM 1475 O SER A 108 12.457 -6.521 -2.476 1.00 0.00 O ATOM 1476 CB SER A 108 14.196 -5.148 -0.027 1.00 0.00 C ATOM 1477 OG SER A 108 15.366 -4.346 -0.003 1.00 0.00 O ATOM 0 H SER A 108 14.592 -5.063 -2.698 1.00 0.00 H new ATOM 0 HA SER A 108 14.925 -7.092 -0.556 1.00 0.00 H new ATOM 0 HB2 SER A 108 13.335 -4.536 -0.296 1.00 0.00 H new ATOM 0 HB3 SER A 108 14.003 -5.549 0.968 1.00 0.00 H new ATOM 0 HG SER A 108 15.249 -3.616 0.641 1.00 0.00 H new ATOM 1483 N ASN A 109 12.434 -7.709 -0.582 1.00 0.00 N ATOM 1484 CA ASN A 109 11.133 -8.303 -0.842 1.00 0.00 C ATOM 1485 C ASN A 109 10.160 -7.897 0.253 1.00 0.00 C ATOM 1486 O ASN A 109 10.344 -8.235 1.427 1.00 0.00 O ATOM 1487 CB ASN A 109 11.251 -9.830 -0.933 1.00 0.00 C ATOM 1488 CG ASN A 109 9.926 -10.549 -0.730 1.00 0.00 C ATOM 1489 OD1 ASN A 109 8.908 -10.196 -1.325 1.00 0.00 O ATOM 1490 ND2 ASN A 109 9.942 -11.577 0.102 1.00 0.00 N ATOM 0 H ASN A 109 12.867 -8.011 0.291 1.00 0.00 H new ATOM 0 HA ASN A 109 10.755 -7.939 -1.798 1.00 0.00 H new ATOM 0 HB2 ASN A 109 11.656 -10.099 -1.908 1.00 0.00 H new ATOM 0 HB3 ASN A 109 11.963 -10.178 -0.185 1.00 0.00 H new ATOM 0 HD21 ASN A 109 9.089 -12.110 0.270 1.00 0.00 H new ATOM 0 HD22 ASN A 109 10.807 -11.837 0.575 1.00 0.00 H new ATOM 1497 N TYR A 110 9.133 -7.165 -0.136 1.00 0.00 N ATOM 1498 CA TYR A 110 8.190 -6.611 0.815 1.00 0.00 C ATOM 1499 C TYR A 110 6.891 -7.403 0.805 1.00 0.00 C ATOM 1500 O TYR A 110 6.388 -7.784 -0.251 1.00 0.00 O ATOM 1501 CB TYR A 110 7.909 -5.135 0.496 1.00 0.00 C ATOM 1502 CG TYR A 110 7.423 -4.886 -0.921 1.00 0.00 C ATOM 1503 CD1 TYR A 110 8.320 -4.635 -1.947 1.00 0.00 C ATOM 1504 CD2 TYR A 110 6.066 -4.908 -1.232 1.00 0.00 C ATOM 1505 CE1 TYR A 110 7.886 -4.411 -3.241 1.00 0.00 C ATOM 1506 CE2 TYR A 110 5.626 -4.687 -2.524 1.00 0.00 C ATOM 1507 CZ TYR A 110 6.540 -4.441 -3.525 1.00 0.00 C ATOM 1508 OH TYR A 110 6.104 -4.221 -4.814 1.00 0.00 O ATOM 0 H TYR A 110 8.931 -6.940 -1.110 1.00 0.00 H new ATOM 0 HA TYR A 110 8.631 -6.677 1.810 1.00 0.00 H new ATOM 0 HB2 TYR A 110 7.162 -4.760 1.196 1.00 0.00 H new ATOM 0 HB3 TYR A 110 8.819 -4.559 0.662 1.00 0.00 H new ATOM 0 HD1 TYR A 110 9.378 -4.614 -1.732 1.00 0.00 H new ATOM 0 HD2 TYR A 110 5.345 -5.101 -0.451 1.00 0.00 H new ATOM 0 HE1 TYR A 110 8.601 -4.213 -4.026 1.00 0.00 H new ATOM 0 HE2 TYR A 110 4.570 -4.707 -2.748 1.00 0.00 H new ATOM 0 HH TYR A 110 5.126 -4.278 -4.843 1.00 0.00 H new ATOM 1518 N SER A 111 6.356 -7.662 1.979 1.00 0.00 N ATOM 1519 CA SER A 111 5.052 -8.285 2.086 1.00 0.00 C ATOM 1520 C SER A 111 4.017 -7.234 2.459 1.00 0.00 C ATOM 1521 O SER A 111 3.781 -6.972 3.637 1.00 0.00 O ATOM 1522 CB SER A 111 5.085 -9.413 3.115 1.00 0.00 C ATOM 1523 OG SER A 111 6.399 -9.937 3.248 1.00 0.00 O ATOM 0 H SER A 111 6.802 -7.452 2.872 1.00 0.00 H new ATOM 0 HA SER A 111 4.778 -8.720 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 111 4.737 -9.042 4.079 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.401 -10.206 2.813 1.00 0.00 H new ATOM 0 HG SER A 111 6.398 -10.657 3.913 1.00 0.00 H new ATOM 1529 N LEU A 112 3.444 -6.593 1.447 1.00 0.00 N ATOM 1530 CA LEU A 112 2.453 -5.553 1.672 1.00 0.00 C ATOM 1531 C LEU A 112 1.078 -6.172 1.852 1.00 0.00 C ATOM 1532 O LEU A 112 0.398 -6.485 0.879 1.00 0.00 O ATOM 1533 CB LEU A 112 2.436 -4.577 0.492 1.00 0.00 C ATOM 1534 CG LEU A 112 2.683 -3.108 0.841 1.00 0.00 C ATOM 1535 CD1 LEU A 112 2.521 -2.235 -0.391 1.00 0.00 C ATOM 1536 CD2 LEU A 112 1.741 -2.650 1.942 1.00 0.00 C ATOM 0 H LEU A 112 3.650 -6.776 0.465 1.00 0.00 H new ATOM 0 HA LEU A 112 2.717 -5.008 2.578 1.00 0.00 H new ATOM 0 HB2 LEU A 112 3.192 -4.892 -0.227 1.00 0.00 H new ATOM 0 HB3 LEU A 112 1.470 -4.655 -0.006 1.00 0.00 H new ATOM 0 HG LEU A 112 3.706 -3.011 1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 112 2.700 -1.193 -0.125 1.00 0.00 H new ATOM 0 HD12 LEU A 112 3.238 -2.543 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 112 1.509 -2.341 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.934 -1.603 2.174 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.709 -2.763 1.609 1.00 0.00 H new ATOM 0 HD23 LEU A 112 1.903 -3.255 2.834 1.00 0.00 H new ATOM 1548 N ASP A 113 0.664 -6.325 3.094 1.00 0.00 N ATOM 1549 CA ASP A 113 -0.594 -6.981 3.401 1.00 0.00 C ATOM 1550 C ASP A 113 -1.703 -5.953 3.553 1.00 0.00 C ATOM 1551 O ASP A 113 -1.900 -5.393 4.635 1.00 0.00 O ATOM 1552 CB ASP A 113 -0.479 -7.798 4.690 1.00 0.00 C ATOM 1553 CG ASP A 113 0.509 -8.944 4.603 1.00 0.00 C ATOM 1554 OD1 ASP A 113 1.036 -9.216 3.504 1.00 0.00 O ATOM 1555 OD2 ASP A 113 0.769 -9.577 5.648 1.00 0.00 O ATOM 0 H ASP A 113 1.182 -6.003 3.911 1.00 0.00 H new ATOM 0 HA ASP A 113 -0.833 -7.652 2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -0.182 -7.136 5.503 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.461 -8.196 4.945 1.00 0.00 H new ATOM 1560 N ALA A 114 -2.418 -5.696 2.473 1.00 0.00 N ATOM 1561 CA ALA A 114 -3.504 -4.737 2.496 1.00 0.00 C ATOM 1562 C ALA A 114 -4.843 -5.447 2.614 1.00 0.00 C ATOM 1563 O ALA A 114 -5.265 -6.160 1.706 1.00 0.00 O ATOM 1564 CB ALA A 114 -3.470 -3.860 1.253 1.00 0.00 C ATOM 0 H ALA A 114 -2.265 -6.140 1.568 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.378 -4.098 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -4.293 -3.146 1.289 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -2.524 -3.321 1.214 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -3.569 -4.484 0.365 1.00 0.00 H new ATOM 1570 N THR A 115 -5.502 -5.270 3.742 1.00 0.00 N ATOM 1571 CA THR A 115 -6.821 -5.835 3.932 1.00 0.00 C ATOM 1572 C THR A 115 -7.875 -4.756 3.735 1.00 0.00 C ATOM 1573 O THR A 115 -8.303 -4.098 4.683 1.00 0.00 O ATOM 1574 CB THR A 115 -6.965 -6.468 5.326 1.00 0.00 C ATOM 1575 OG1 THR A 115 -5.665 -6.764 5.853 1.00 0.00 O ATOM 1576 CG2 THR A 115 -7.797 -7.742 5.265 1.00 0.00 C ATOM 0 H THR A 115 -5.146 -4.741 4.538 1.00 0.00 H new ATOM 0 HA THR A 115 -6.964 -6.623 3.192 1.00 0.00 H new ATOM 0 HB THR A 115 -7.475 -5.758 5.977 1.00 0.00 H new ATOM 0 HG1 THR A 115 -5.277 -5.952 6.242 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.883 -8.169 6.264 1.00 0.00 H new ATOM 0 HG22 THR A 115 -8.791 -7.509 4.883 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.313 -8.461 4.604 1.00 0.00 H new