USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 805 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 39 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 68 ASN : amide:sc= -6.68! C(o=-6.7!,f=-11!) USER MOD Set 2.1: A 25 TYR OH : rot -170:sc= -1.59 USER MOD Set 2.2: A 48 HIS : no HD1:sc= -0.381 X(o=-2,f=-2.4) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ -158:sc= -0.0769 (180deg=-0.671) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 CYS SG : rot -134:sc= -0.0281 USER MOD Single : A 19 GLN :FLIP amide:sc= -1.3 F(o=-2.3,f=-1.3) USER MOD Single : A 20 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 21 GLN : amide:sc= -0.139 X(o=-0.14,f=-0.14) USER MOD Single : A 22 THR OG1 : rot -85:sc= 1.26 USER MOD Single : A 26 GLN : amide:sc= -1.46 K(o=-1.5,f=-2) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -0.209 K(o=-0.21,f=-1.4) USER MOD Single : A 31 THR OG1 : rot 79:sc= 1.23 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -78:sc= 0.266 USER MOD Single : A 44 CYS SG : rot 140:sc= -1.31 USER MOD Single : A 56 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.12) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -4.54! C(o=-4.5!,f=-5.5!) USER MOD Single : A 69 ASN : amide:sc= -7.03! C(o=-7!,f=-11!) USER MOD Single : A 70 GLN : amide:sc= -2.42 K(o=-2.4,f=-9.5!) USER MOD Single : A 86 THR OG1 : rot 180:sc= -0.0184 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl 133:sc= -2.7! (180deg=-5.02!) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 95 GLN : amide:sc= -0.032 K(o=-0.032,f=-0.8) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= -0.141 USER MOD Single : A 102 MET CE :methyl -168:sc= -0.685 (180deg=-1.08) USER MOD Single : A 104 MET CE :methyl 139:sc= -0.0854 (180deg=-1.48!) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.830 -8.070 2.371 1.00 0.00 N ATOM 136 CA SER A 12 -8.097 -8.038 3.804 1.00 0.00 C ATOM 137 C SER A 12 -7.069 -7.175 4.530 1.00 0.00 C ATOM 138 O SER A 12 -7.393 -6.476 5.490 1.00 0.00 O ATOM 139 CB SER A 12 -8.087 -9.456 4.379 1.00 0.00 C ATOM 140 OG SER A 12 -9.212 -10.194 3.935 1.00 0.00 O ATOM 0 HA SER A 12 -9.084 -7.600 3.954 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.172 -9.967 4.080 1.00 0.00 H new ATOM 0 HB3 SER A 12 -8.085 -9.410 5.468 1.00 0.00 H new ATOM 0 HG SER A 12 -9.182 -11.097 4.315 1.00 0.00 H new ATOM 146 N LYS A 13 -5.826 -7.229 4.063 1.00 0.00 N ATOM 147 CA LYS A 13 -4.748 -6.454 4.665 1.00 0.00 C ATOM 148 C LYS A 13 -4.954 -4.961 4.428 1.00 0.00 C ATOM 149 O LYS A 13 -4.852 -4.155 5.354 1.00 0.00 O ATOM 150 CB LYS A 13 -3.397 -6.890 4.093 1.00 0.00 C ATOM 151 CG LYS A 13 -2.215 -6.508 4.966 1.00 0.00 C ATOM 152 CD LYS A 13 -1.887 -7.600 5.969 1.00 0.00 C ATOM 153 CE LYS A 13 -0.883 -8.594 5.404 1.00 0.00 C ATOM 154 NZ LYS A 13 -1.554 -9.700 4.667 1.00 0.00 N ATOM 0 H LYS A 13 -5.540 -7.802 3.269 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.757 -6.639 5.739 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.402 -7.971 3.956 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -3.269 -6.444 3.107 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.345 -6.316 4.338 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.437 -5.581 5.495 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -1.485 -7.152 6.878 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -2.801 -8.124 6.250 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -0.196 -8.076 4.735 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -0.286 -9.008 6.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.919 -10.523 4.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -2.430 -9.965 5.161 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.782 -9.386 3.702 1.00 0.00 H new ATOM 168 N LEU A 14 -5.246 -4.599 3.184 1.00 0.00 N ATOM 169 CA LEU A 14 -5.469 -3.202 2.826 1.00 0.00 C ATOM 170 C LEU A 14 -6.526 -2.571 3.726 1.00 0.00 C ATOM 171 O LEU A 14 -6.324 -1.487 4.273 1.00 0.00 O ATOM 172 CB LEU A 14 -5.898 -3.093 1.362 1.00 0.00 C ATOM 173 CG LEU A 14 -6.515 -1.759 0.941 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.438 -0.696 0.789 1.00 0.00 C ATOM 175 CD2 LEU A 14 -7.297 -1.918 -0.355 1.00 0.00 C ATOM 0 H LEU A 14 -5.334 -5.253 2.406 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.532 -2.663 2.965 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.027 -3.282 0.734 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.618 -3.885 1.155 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.205 -1.438 1.721 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.897 0.246 0.489 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.922 -0.562 1.740 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.722 -1.009 0.029 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.729 -0.959 -0.639 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.628 -2.263 -1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -8.095 -2.647 -0.212 1.00 0.00 H new ATOM 187 N LEU A 15 -7.654 -3.257 3.876 1.00 0.00 N ATOM 188 CA LEU A 15 -8.743 -2.766 4.712 1.00 0.00 C ATOM 189 C LEU A 15 -8.226 -2.329 6.079 1.00 0.00 C ATOM 190 O LEU A 15 -8.518 -1.225 6.542 1.00 0.00 O ATOM 191 CB LEU A 15 -9.812 -3.847 4.880 1.00 0.00 C ATOM 192 CG LEU A 15 -10.939 -3.530 5.863 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.840 -2.438 5.307 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.745 -4.783 6.173 1.00 0.00 C ATOM 0 H LEU A 15 -7.838 -4.155 3.429 1.00 0.00 H new ATOM 0 HA LEU A 15 -9.185 -1.901 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.254 -4.047 3.904 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.323 -4.766 5.203 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.495 -3.169 6.791 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.637 -2.225 6.020 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -11.254 -1.535 5.137 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -12.276 -2.770 4.365 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.543 -4.538 6.874 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -12.178 -5.174 5.252 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -11.092 -5.536 6.615 1.00 0.00 H new ATOM 206 N THR A 16 -7.455 -3.201 6.721 1.00 0.00 N ATOM 207 CA THR A 16 -6.896 -2.905 8.034 1.00 0.00 C ATOM 208 C THR A 16 -6.210 -1.544 8.046 1.00 0.00 C ATOM 209 O THR A 16 -6.607 -0.645 8.787 1.00 0.00 O ATOM 210 CB THR A 16 -5.883 -3.981 8.468 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.509 -5.269 8.477 1.00 0.00 O ATOM 212 CG2 THR A 16 -5.326 -3.673 9.850 1.00 0.00 C ATOM 0 H THR A 16 -7.203 -4.118 6.353 1.00 0.00 H new ATOM 0 HA THR A 16 -7.729 -2.895 8.737 1.00 0.00 H new ATOM 0 HB THR A 16 -5.060 -3.983 7.753 1.00 0.00 H new ATOM 0 HG1 THR A 16 -5.858 -5.947 8.752 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.613 -4.446 10.135 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.824 -2.705 9.833 1.00 0.00 H new ATOM 0 HG23 THR A 16 -6.141 -3.646 10.573 1.00 0.00 H new ATOM 220 N TRP A 17 -5.180 -1.398 7.220 1.00 0.00 N ATOM 221 CA TRP A 17 -4.440 -0.144 7.135 1.00 0.00 C ATOM 222 C TRP A 17 -5.390 1.045 7.061 1.00 0.00 C ATOM 223 O TRP A 17 -5.235 2.023 7.794 1.00 0.00 O ATOM 224 CB TRP A 17 -3.518 -0.154 5.915 1.00 0.00 C ATOM 225 CG TRP A 17 -2.710 1.100 5.771 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.514 1.377 6.368 1.00 0.00 C ATOM 227 CD2 TRP A 17 -3.041 2.247 4.980 1.00 0.00 C ATOM 228 NE1 TRP A 17 -1.081 2.627 5.997 1.00 0.00 N ATOM 229 CE2 TRP A 17 -2.000 3.181 5.145 1.00 0.00 C ATOM 230 CE3 TRP A 17 -4.115 2.575 4.148 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -2.004 4.420 4.509 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -4.117 3.805 3.517 1.00 0.00 C ATOM 233 CH2 TRP A 17 -3.067 4.715 3.700 1.00 0.00 C ATOM 0 H TRP A 17 -4.838 -2.132 6.600 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.836 -0.046 8.037 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.843 -1.007 5.986 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -4.118 -0.296 5.016 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.986 0.711 7.034 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.216 3.071 6.306 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.929 1.880 4.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.196 5.123 4.650 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.942 4.069 2.872 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -3.098 5.668 3.192 1.00 0.00 H new ATOM 244 N CYS A 18 -6.374 0.957 6.172 1.00 0.00 N ATOM 245 CA CYS A 18 -7.350 2.028 6.003 1.00 0.00 C ATOM 246 C CYS A 18 -8.180 2.212 7.269 1.00 0.00 C ATOM 247 O CYS A 18 -8.500 3.337 7.653 1.00 0.00 O ATOM 248 CB CYS A 18 -8.267 1.726 4.816 1.00 0.00 C ATOM 249 SG CYS A 18 -7.398 1.530 3.243 1.00 0.00 S ATOM 0 H CYS A 18 -6.517 0.155 5.558 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.808 2.954 5.809 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.827 0.814 5.026 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.995 2.532 4.719 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.013 2.209 2.320 1.00 0.00 H new ATOM 255 N GLN A 19 -8.525 1.101 7.911 1.00 0.00 N ATOM 256 CA GLN A 19 -9.321 1.142 9.132 1.00 0.00 C ATOM 257 C GLN A 19 -8.583 1.891 10.237 1.00 0.00 C ATOM 258 O GLN A 19 -9.175 2.698 10.953 1.00 0.00 O ATOM 259 CB GLN A 19 -9.653 -0.278 9.596 1.00 0.00 C ATOM 260 CG GLN A 19 -10.772 -0.931 8.801 1.00 0.00 C ATOM 261 CD GLN A 19 -11.123 -2.313 9.316 1.00 0.00 C ATOM 262 OE1 GLN A 19 -12.090 -2.957 8.672 1.00 0.00 O flip ATOM 263 NE2 GLN A 19 -10.532 -2.797 10.281 1.00 0.00 N flip ATOM 0 H GLN A 19 -8.266 0.162 7.607 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.248 1.672 8.915 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.757 -0.895 9.521 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.934 -0.251 10.649 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.658 -0.297 8.840 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.476 -1.002 7.754 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -9.795 -2.267 10.746 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -10.779 -3.728 10.616 1.00 0.00 H new ATOM 272 N GLN A 20 -7.289 1.617 10.370 1.00 0.00 N ATOM 273 CA GLN A 20 -6.472 2.265 11.389 1.00 0.00 C ATOM 274 C GLN A 20 -6.414 3.773 11.162 1.00 0.00 C ATOM 275 O GLN A 20 -6.785 4.555 12.037 1.00 0.00 O ATOM 276 CB GLN A 20 -5.058 1.682 11.385 1.00 0.00 C ATOM 277 CG GLN A 20 -5.016 0.186 11.652 1.00 0.00 C ATOM 278 CD GLN A 20 -4.895 -0.140 13.128 1.00 0.00 C ATOM 279 OE1 GLN A 20 -5.379 0.604 13.982 1.00 0.00 O ATOM 280 NE2 GLN A 20 -4.246 -1.257 13.436 1.00 0.00 N ATOM 0 H GLN A 20 -6.784 0.951 9.785 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.931 2.079 12.360 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.594 1.884 10.420 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.461 2.194 12.139 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.920 -0.276 11.255 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.173 -0.251 11.117 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.861 -1.844 12.696 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -4.133 -1.528 14.413 1.00 0.00 H new ATOM 289 N GLN A 21 -5.947 4.172 9.984 1.00 0.00 N ATOM 290 CA GLN A 21 -5.839 5.585 9.644 1.00 0.00 C ATOM 291 C GLN A 21 -7.144 6.317 9.942 1.00 0.00 C ATOM 292 O GLN A 21 -7.149 7.358 10.600 1.00 0.00 O ATOM 293 CB GLN A 21 -5.473 5.751 8.168 1.00 0.00 C ATOM 294 CG GLN A 21 -4.138 5.125 7.799 1.00 0.00 C ATOM 295 CD GLN A 21 -2.983 5.703 8.593 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.734 6.908 8.561 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.270 4.844 9.313 1.00 0.00 N ATOM 0 H GLN A 21 -5.637 3.536 9.249 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.050 6.021 10.257 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.256 5.304 7.555 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.446 6.813 7.926 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.187 4.049 7.967 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -3.953 5.274 6.735 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -2.511 3.853 9.311 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.481 5.175 9.868 1.00 0.00 H new ATOM 306 N THR A 22 -8.251 5.767 9.452 1.00 0.00 N ATOM 307 CA THR A 22 -9.561 6.368 9.664 1.00 0.00 C ATOM 308 C THR A 22 -9.967 6.298 11.132 1.00 0.00 C ATOM 309 O THR A 22 -10.572 7.230 11.662 1.00 0.00 O ATOM 310 CB THR A 22 -10.641 5.675 8.811 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.631 4.265 9.059 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.412 5.937 7.331 1.00 0.00 C ATOM 0 H THR A 22 -8.266 4.906 8.905 1.00 0.00 H new ATOM 0 HA THR A 22 -9.483 7.412 9.361 1.00 0.00 H new ATOM 0 HB THR A 22 -11.612 6.085 9.090 1.00 0.00 H new ATOM 0 HG1 THR A 22 -9.954 3.838 8.493 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.187 5.438 6.749 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.450 7.010 7.141 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.435 5.552 7.040 1.00 0.00 H new ATOM 320 N GLU A 23 -9.630 5.190 11.783 1.00 0.00 N ATOM 321 CA GLU A 23 -9.960 5.001 13.190 1.00 0.00 C ATOM 322 C GLU A 23 -9.827 6.311 13.961 1.00 0.00 C ATOM 323 O GLU A 23 -8.840 7.031 13.817 1.00 0.00 O ATOM 324 CB GLU A 23 -9.053 3.936 13.812 1.00 0.00 C ATOM 325 CG GLU A 23 -9.623 3.312 15.074 1.00 0.00 C ATOM 326 CD GLU A 23 -9.045 1.940 15.359 1.00 0.00 C ATOM 327 OE1 GLU A 23 -9.399 0.986 14.635 1.00 0.00 O ATOM 328 OE2 GLU A 23 -8.239 1.820 16.306 1.00 0.00 O ATOM 0 H GLU A 23 -9.129 4.410 11.359 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.996 4.667 13.251 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -8.873 3.151 13.078 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -8.087 4.384 14.043 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -9.425 3.969 15.921 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -10.706 3.233 14.979 1.00 0.00 H new ATOM 335 N GLY A 24 -10.829 6.613 14.781 1.00 0.00 N ATOM 336 CA GLY A 24 -10.805 7.836 15.562 1.00 0.00 C ATOM 337 C GLY A 24 -11.778 8.875 15.043 1.00 0.00 C ATOM 338 O GLY A 24 -12.472 9.531 15.821 1.00 0.00 O ATOM 0 H GLY A 24 -11.657 6.033 14.918 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.044 7.605 16.600 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -9.797 8.250 15.552 1.00 0.00 H new ATOM 342 N TYR A 25 -11.830 9.027 13.724 1.00 0.00 N ATOM 343 CA TYR A 25 -12.723 9.997 13.101 1.00 0.00 C ATOM 344 C TYR A 25 -14.165 9.774 13.546 1.00 0.00 C ATOM 345 O TYR A 25 -14.494 8.740 14.127 1.00 0.00 O ATOM 346 CB TYR A 25 -12.627 9.904 11.577 1.00 0.00 C ATOM 347 CG TYR A 25 -11.444 10.647 10.999 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.144 10.222 11.244 1.00 0.00 C ATOM 349 CD2 TYR A 25 -11.626 11.773 10.205 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.060 10.897 10.718 1.00 0.00 C ATOM 351 CE2 TYR A 25 -10.548 12.454 9.674 1.00 0.00 C ATOM 352 CZ TYR A 25 -9.267 12.013 9.934 1.00 0.00 C ATOM 353 OH TYR A 25 -8.190 12.688 9.407 1.00 0.00 O ATOM 0 H TYR A 25 -11.264 8.491 13.066 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.414 10.993 13.418 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.563 8.855 11.289 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.543 10.299 11.139 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -9.978 9.348 11.857 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -12.627 12.121 10.000 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.056 10.553 10.919 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.707 13.327 9.059 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.494 13.533 9.014 1.00 0.00 H new ATOM 363 N GLN A 26 -15.021 10.752 13.266 1.00 0.00 N ATOM 364 CA GLN A 26 -16.429 10.663 13.637 1.00 0.00 C ATOM 365 C GLN A 26 -17.279 10.227 12.448 1.00 0.00 C ATOM 366 O GLN A 26 -16.902 10.434 11.294 1.00 0.00 O ATOM 367 CB GLN A 26 -16.924 12.010 14.167 1.00 0.00 C ATOM 368 CG GLN A 26 -16.176 12.490 15.400 1.00 0.00 C ATOM 369 CD GLN A 26 -14.766 12.949 15.085 1.00 0.00 C ATOM 370 OE1 GLN A 26 -13.797 12.234 15.343 1.00 0.00 O ATOM 371 NE2 GLN A 26 -14.643 14.146 14.525 1.00 0.00 N ATOM 0 H GLN A 26 -14.765 11.614 12.784 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.525 9.914 14.423 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.828 12.758 13.380 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -17.985 11.930 14.404 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -16.727 13.311 15.858 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -16.137 11.684 16.133 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.473 14.705 14.329 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -13.718 14.507 14.291 1.00 0.00 H new ATOM 380 N HIS A 27 -18.427 9.623 12.737 1.00 0.00 N ATOM 381 CA HIS A 27 -19.331 9.158 11.691 1.00 0.00 C ATOM 382 C HIS A 27 -18.556 8.473 10.569 1.00 0.00 C ATOM 383 O HIS A 27 -18.982 8.479 9.414 1.00 0.00 O ATOM 384 CB HIS A 27 -20.138 10.328 11.128 1.00 0.00 C ATOM 385 CG HIS A 27 -20.876 11.105 12.175 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.193 10.862 12.504 1.00 0.00 N ATOM 387 CD2 HIS A 27 -20.474 12.124 12.969 1.00 0.00 C ATOM 388 CE1 HIS A 27 -22.569 11.699 13.454 1.00 0.00 C ATOM 389 NE2 HIS A 27 -21.544 12.476 13.755 1.00 0.00 N ATOM 0 H HIS A 27 -18.753 9.444 13.687 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.015 8.433 12.132 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.465 11.000 10.595 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.853 9.948 10.398 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -19.494 12.577 12.982 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -23.548 11.741 13.908 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -21.547 13.216 14.457 1.00 0.00 H new ATOM 398 N VAL A 28 -17.417 7.882 10.917 1.00 0.00 N ATOM 399 CA VAL A 28 -16.584 7.192 9.940 1.00 0.00 C ATOM 400 C VAL A 28 -16.310 5.755 10.369 1.00 0.00 C ATOM 401 O VAL A 28 -15.410 5.496 11.166 1.00 0.00 O ATOM 402 CB VAL A 28 -15.242 7.920 9.734 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.337 7.119 8.810 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.474 9.319 9.185 1.00 0.00 C ATOM 0 H VAL A 28 -17.050 7.868 11.869 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.135 7.188 9.000 1.00 0.00 H new ATOM 0 HB VAL A 28 -14.746 8.012 10.700 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.394 7.648 8.676 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.144 6.140 9.248 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -14.824 6.994 7.843 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.515 9.819 9.046 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -15.991 9.253 8.228 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.082 9.889 9.887 1.00 0.00 H new ATOM 414 N ASN A 29 -17.093 4.824 9.833 1.00 0.00 N ATOM 415 CA ASN A 29 -16.935 3.412 10.160 1.00 0.00 C ATOM 416 C ASN A 29 -16.561 2.605 8.920 1.00 0.00 C ATOM 417 O ASN A 29 -17.421 2.254 8.112 1.00 0.00 O ATOM 418 CB ASN A 29 -18.225 2.861 10.771 1.00 0.00 C ATOM 419 CG ASN A 29 -18.259 1.345 10.778 1.00 0.00 C ATOM 420 OD1 ASN A 29 -17.289 0.693 11.162 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.382 0.777 10.353 1.00 0.00 N ATOM 0 H ASN A 29 -17.843 5.022 9.171 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.129 3.321 10.888 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.326 3.229 11.792 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -19.080 3.238 10.210 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -19.465 -0.240 10.336 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -20.162 1.357 10.044 1.00 0.00 H new ATOM 428 N VAL A 30 -15.273 2.313 8.776 1.00 0.00 N ATOM 429 CA VAL A 30 -14.785 1.546 7.637 1.00 0.00 C ATOM 430 C VAL A 30 -14.808 0.050 7.930 1.00 0.00 C ATOM 431 O VAL A 30 -14.057 -0.441 8.773 1.00 0.00 O ATOM 432 CB VAL A 30 -13.351 1.960 7.253 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.835 1.102 6.108 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.303 3.436 6.888 1.00 0.00 C ATOM 0 H VAL A 30 -14.548 2.596 9.435 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.453 1.760 6.803 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.703 1.801 8.115 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.821 1.409 5.851 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.831 0.055 6.411 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.483 1.226 5.240 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.283 3.711 6.620 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.964 3.623 6.042 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.627 4.032 7.741 1.00 0.00 H new ATOM 444 N THR A 31 -15.677 -0.672 7.228 1.00 0.00 N ATOM 445 CA THR A 31 -15.800 -2.112 7.413 1.00 0.00 C ATOM 446 C THR A 31 -15.523 -2.859 6.113 1.00 0.00 C ATOM 447 O THR A 31 -14.920 -3.932 6.119 1.00 0.00 O ATOM 448 CB THR A 31 -17.202 -2.495 7.924 1.00 0.00 C ATOM 449 OG1 THR A 31 -18.197 -2.073 6.985 1.00 0.00 O ATOM 450 CG2 THR A 31 -17.475 -1.863 9.280 1.00 0.00 C ATOM 0 H THR A 31 -16.306 -0.282 6.526 1.00 0.00 H new ATOM 0 HA THR A 31 -15.059 -2.399 8.159 1.00 0.00 H new ATOM 0 HB THR A 31 -17.242 -3.579 8.032 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.231 -2.706 6.237 1.00 0.00 H new ATOM 0 HG21 THR A 31 -18.471 -2.148 9.620 1.00 0.00 H new ATOM 0 HG22 THR A 31 -16.733 -2.210 9.999 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.417 -0.778 9.194 1.00 0.00 H new ATOM 458 N ASP A 32 -15.967 -2.285 5.001 1.00 0.00 N ATOM 459 CA ASP A 32 -15.765 -2.896 3.692 1.00 0.00 C ATOM 460 C ASP A 32 -15.049 -1.935 2.748 1.00 0.00 C ATOM 461 O ASP A 32 -14.696 -0.819 3.132 1.00 0.00 O ATOM 462 CB ASP A 32 -17.107 -3.317 3.090 1.00 0.00 C ATOM 463 CG ASP A 32 -17.929 -4.163 4.042 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.746 -5.398 4.048 1.00 0.00 O ATOM 465 OD2 ASP A 32 -18.755 -3.589 4.782 1.00 0.00 O ATOM 0 H ASP A 32 -16.469 -1.397 4.979 1.00 0.00 H new ATOM 0 HA ASP A 32 -15.141 -3.780 3.823 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -17.674 -2.427 2.817 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.930 -3.877 2.172 1.00 0.00 H new ATOM 470 N LEU A 33 -14.836 -2.376 1.513 1.00 0.00 N ATOM 471 CA LEU A 33 -14.161 -1.556 0.514 1.00 0.00 C ATOM 472 C LEU A 33 -15.067 -1.303 -0.687 1.00 0.00 C ATOM 473 O LEU A 33 -14.596 -1.159 -1.815 1.00 0.00 O ATOM 474 CB LEU A 33 -12.868 -2.234 0.057 1.00 0.00 C ATOM 475 CG LEU A 33 -11.868 -2.585 1.160 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.963 -3.724 0.718 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.045 -1.363 1.540 1.00 0.00 C ATOM 0 H LEU A 33 -15.121 -3.297 1.180 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.919 -0.597 0.972 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -13.129 -3.150 -0.474 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.372 -1.580 -0.661 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.424 -2.912 2.039 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.258 -3.959 1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.567 -4.604 0.496 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.414 -3.427 -0.175 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.339 -1.630 2.326 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.499 -1.006 0.667 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.707 -0.576 1.900 1.00 0.00 H new ATOM 489 N THR A 34 -16.372 -1.249 -0.436 1.00 0.00 N ATOM 490 CA THR A 34 -17.345 -1.013 -1.495 1.00 0.00 C ATOM 491 C THR A 34 -18.353 0.056 -1.088 1.00 0.00 C ATOM 492 O THR A 34 -18.671 0.954 -1.868 1.00 0.00 O ATOM 493 CB THR A 34 -18.102 -2.303 -1.860 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.472 -3.008 -0.670 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.247 -3.201 -2.742 1.00 0.00 C ATOM 0 H THR A 34 -16.779 -1.366 0.492 1.00 0.00 H new ATOM 0 HA THR A 34 -16.787 -0.669 -2.366 1.00 0.00 H new ATOM 0 HB THR A 34 -19.000 -2.027 -2.412 1.00 0.00 H new ATOM 0 HG1 THR A 34 -18.954 -3.826 -0.911 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.803 -4.106 -2.987 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.992 -2.672 -3.660 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.333 -3.469 -2.211 1.00 0.00 H new ATOM 503 N THR A 35 -18.852 -0.045 0.140 1.00 0.00 N ATOM 504 CA THR A 35 -19.824 0.912 0.651 1.00 0.00 C ATOM 505 C THR A 35 -19.145 1.997 1.480 1.00 0.00 C ATOM 506 O THR A 35 -19.500 3.172 1.391 1.00 0.00 O ATOM 507 CB THR A 35 -20.896 0.219 1.514 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.270 -0.551 2.547 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.775 -0.684 0.663 1.00 0.00 C ATOM 0 H THR A 35 -18.598 -0.781 0.799 1.00 0.00 H new ATOM 0 HA THR A 35 -20.304 1.367 -0.216 1.00 0.00 H new ATOM 0 HB THR A 35 -21.523 0.989 1.964 1.00 0.00 H new ATOM 0 HG1 THR A 35 -20.958 -0.987 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.524 -1.162 1.294 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.272 -0.090 -0.104 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.160 -1.448 0.188 1.00 0.00 H new ATOM 517 N SER A 36 -18.166 1.595 2.284 1.00 0.00 N ATOM 518 CA SER A 36 -17.438 2.533 3.130 1.00 0.00 C ATOM 519 C SER A 36 -16.855 3.673 2.302 1.00 0.00 C ATOM 520 O SER A 36 -16.741 4.804 2.775 1.00 0.00 O ATOM 521 CB SER A 36 -16.319 1.811 3.884 1.00 0.00 C ATOM 522 OG SER A 36 -16.838 0.764 4.686 1.00 0.00 O ATOM 0 H SER A 36 -17.859 0.626 2.367 1.00 0.00 H new ATOM 0 HA SER A 36 -18.140 2.953 3.851 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.599 1.406 3.173 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.781 2.522 4.512 1.00 0.00 H new ATOM 0 HG SER A 36 -17.228 1.140 5.503 1.00 0.00 H new ATOM 528 N TRP A 37 -16.487 3.367 1.063 1.00 0.00 N ATOM 529 CA TRP A 37 -15.915 4.366 0.167 1.00 0.00 C ATOM 530 C TRP A 37 -16.883 4.702 -0.963 1.00 0.00 C ATOM 531 O TRP A 37 -16.467 4.964 -2.091 1.00 0.00 O ATOM 532 CB TRP A 37 -14.592 3.863 -0.412 1.00 0.00 C ATOM 533 CG TRP A 37 -13.744 3.137 0.588 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.057 1.979 1.241 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.444 3.521 1.050 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.030 1.621 2.081 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.029 2.550 1.981 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.590 4.590 0.765 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.798 2.619 2.629 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.370 4.657 1.409 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.982 3.676 2.332 1.00 0.00 C ATOM 0 H TRP A 37 -16.574 2.436 0.656 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.730 5.272 0.744 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.800 3.199 -1.251 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.031 4.710 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.976 1.426 1.116 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -13.016 0.797 2.682 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.879 5.350 0.054 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.498 1.864 3.341 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.703 5.480 1.198 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -9.021 3.756 2.818 1.00 0.00 H new ATOM 552 N ARG A 38 -18.175 4.693 -0.651 1.00 0.00 N ATOM 553 CA ARG A 38 -19.202 4.997 -1.641 1.00 0.00 C ATOM 554 C ARG A 38 -19.443 6.501 -1.731 1.00 0.00 C ATOM 555 O ARG A 38 -19.694 7.036 -2.810 1.00 0.00 O ATOM 556 CB ARG A 38 -20.507 4.280 -1.290 1.00 0.00 C ATOM 557 CG ARG A 38 -21.267 4.927 -0.143 1.00 0.00 C ATOM 558 CD ARG A 38 -22.533 4.153 0.192 1.00 0.00 C ATOM 559 NE ARG A 38 -22.925 4.324 1.588 1.00 0.00 N ATOM 560 CZ ARG A 38 -24.170 4.171 2.026 1.00 0.00 C ATOM 561 NH1 ARG A 38 -25.138 3.845 1.180 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.448 4.343 3.312 1.00 0.00 N ATOM 0 H ARG A 38 -18.535 4.479 0.279 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.851 4.645 -2.611 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.147 4.256 -2.172 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.285 3.245 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.626 4.977 0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.525 5.952 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.344 4.486 -0.456 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.376 3.094 -0.013 1.00 0.00 H new ATOM 0 HE ARG A 38 -22.204 4.575 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -24.927 3.711 0.191 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -26.093 3.728 1.518 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -23.706 4.593 3.965 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -25.404 4.225 3.647 1.00 0.00 H new ATOM 576 N SER A 39 -19.366 7.176 -0.589 1.00 0.00 N ATOM 577 CA SER A 39 -19.580 8.618 -0.537 1.00 0.00 C ATOM 578 C SER A 39 -18.269 9.370 -0.746 1.00 0.00 C ATOM 579 O SER A 39 -18.232 10.402 -1.414 1.00 0.00 O ATOM 580 CB SER A 39 -20.202 9.015 0.803 1.00 0.00 C ATOM 581 OG SER A 39 -20.146 10.418 0.996 1.00 0.00 O ATOM 0 H SER A 39 -19.157 6.748 0.313 1.00 0.00 H new ATOM 0 HA SER A 39 -20.265 8.888 -1.341 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.239 8.681 0.839 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.676 8.512 1.615 1.00 0.00 H new ATOM 0 HG SER A 39 -20.551 10.646 1.859 1.00 0.00 H new ATOM 587 N GLY A 40 -17.194 8.843 -0.167 1.00 0.00 N ATOM 588 CA GLY A 40 -15.895 9.477 -0.300 1.00 0.00 C ATOM 589 C GLY A 40 -15.251 9.766 1.041 1.00 0.00 C ATOM 590 O GLY A 40 -14.033 9.652 1.191 1.00 0.00 O ATOM 0 H GLY A 40 -17.199 7.989 0.391 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.238 8.833 -0.884 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.004 10.408 -0.856 1.00 0.00 H new ATOM 594 N LEU A 41 -16.067 10.142 2.019 1.00 0.00 N ATOM 595 CA LEU A 41 -15.569 10.450 3.356 1.00 0.00 C ATOM 596 C LEU A 41 -14.389 9.553 3.717 1.00 0.00 C ATOM 597 O LEU A 41 -13.308 10.038 4.048 1.00 0.00 O ATOM 598 CB LEU A 41 -16.686 10.283 4.388 1.00 0.00 C ATOM 599 CG LEU A 41 -17.959 11.091 4.135 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.012 10.771 5.186 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.652 12.581 4.122 1.00 0.00 C ATOM 0 H LEU A 41 -17.077 10.241 1.912 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.229 11.486 3.361 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -16.953 9.227 4.437 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.293 10.558 5.367 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.354 10.814 3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.911 11.355 4.990 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.254 9.709 5.147 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.626 11.019 6.175 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.570 13.140 3.941 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.233 12.874 5.084 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.933 12.797 3.332 1.00 0.00 H new ATOM 613 N ALA A 42 -14.605 8.244 3.649 1.00 0.00 N ATOM 614 CA ALA A 42 -13.559 7.280 3.965 1.00 0.00 C ATOM 615 C ALA A 42 -12.206 7.746 3.439 1.00 0.00 C ATOM 616 O ALA A 42 -11.248 7.892 4.200 1.00 0.00 O ATOM 617 CB ALA A 42 -13.908 5.915 3.392 1.00 0.00 C ATOM 0 H ALA A 42 -15.495 7.827 3.378 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.490 7.199 5.050 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.118 5.205 3.636 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.850 5.571 3.820 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -14.007 5.990 2.309 1.00 0.00 H new ATOM 623 N LEU A 43 -12.132 7.979 2.133 1.00 0.00 N ATOM 624 CA LEU A 43 -10.895 8.429 1.504 1.00 0.00 C ATOM 625 C LEU A 43 -10.465 9.783 2.057 1.00 0.00 C ATOM 626 O LEU A 43 -9.377 9.918 2.619 1.00 0.00 O ATOM 627 CB LEU A 43 -11.074 8.517 -0.012 1.00 0.00 C ATOM 628 CG LEU A 43 -9.801 8.757 -0.825 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.753 7.704 -0.500 1.00 0.00 C ATOM 630 CD2 LEU A 43 -10.112 8.760 -2.315 1.00 0.00 C ATOM 0 H LEU A 43 -12.914 7.864 1.489 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.115 7.701 1.730 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.533 7.591 -0.358 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.777 9.321 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.400 9.734 -0.556 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.855 7.891 -1.088 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.508 7.750 0.561 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.144 6.715 -0.740 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.195 8.932 -2.878 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.537 7.798 -2.600 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.827 9.552 -2.536 1.00 0.00 H new ATOM 642 N CYS A 44 -11.325 10.783 1.896 1.00 0.00 N ATOM 643 CA CYS A 44 -11.034 12.127 2.381 1.00 0.00 C ATOM 644 C CYS A 44 -10.369 12.079 3.752 1.00 0.00 C ATOM 645 O CYS A 44 -9.451 12.849 4.035 1.00 0.00 O ATOM 646 CB CYS A 44 -12.318 12.955 2.452 1.00 0.00 C ATOM 647 SG CYS A 44 -13.187 13.107 0.873 1.00 0.00 S ATOM 0 H CYS A 44 -12.229 10.688 1.433 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.345 12.598 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -12.989 12.503 3.182 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.075 13.952 2.818 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.468 13.011 1.072 1.00 0.00 H new ATOM 653 N ALA A 45 -10.840 11.171 4.601 1.00 0.00 N ATOM 654 CA ALA A 45 -10.290 11.022 5.943 1.00 0.00 C ATOM 655 C ALA A 45 -8.787 10.768 5.896 1.00 0.00 C ATOM 656 O ALA A 45 -8.015 11.431 6.589 1.00 0.00 O ATOM 657 CB ALA A 45 -10.996 9.893 6.679 1.00 0.00 C ATOM 0 H ALA A 45 -11.601 10.528 4.383 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.457 11.954 6.483 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.576 9.792 7.680 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.060 10.117 6.753 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.858 8.960 6.132 1.00 0.00 H new ATOM 663 N ILE A 46 -8.380 9.806 5.075 1.00 0.00 N ATOM 664 CA ILE A 46 -6.969 9.466 4.938 1.00 0.00 C ATOM 665 C ILE A 46 -6.142 10.691 4.563 1.00 0.00 C ATOM 666 O ILE A 46 -5.188 11.044 5.256 1.00 0.00 O ATOM 667 CB ILE A 46 -6.754 8.371 3.877 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.491 7.091 4.278 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.270 8.097 3.691 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.774 6.167 3.114 1.00 0.00 C ATOM 0 H ILE A 46 -9.007 9.248 4.495 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.640 9.091 5.907 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.160 8.721 2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.897 6.557 5.020 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.433 7.359 4.757 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.135 7.321 2.938 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.770 9.009 3.366 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.840 7.765 4.636 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.298 5.281 3.472 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.394 6.684 2.381 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.834 5.870 2.649 1.00 0.00 H new ATOM 682 N ILE A 47 -6.516 11.336 3.463 1.00 0.00 N ATOM 683 CA ILE A 47 -5.810 12.523 2.997 1.00 0.00 C ATOM 684 C ILE A 47 -5.855 13.634 4.041 1.00 0.00 C ATOM 685 O ILE A 47 -4.827 14.016 4.601 1.00 0.00 O ATOM 686 CB ILE A 47 -6.405 13.050 1.677 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.473 11.928 0.639 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.580 14.215 1.152 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.542 12.138 -0.409 1.00 0.00 C ATOM 0 H ILE A 47 -7.304 11.057 2.878 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.774 12.228 2.827 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.418 13.404 1.868 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.505 11.841 0.146 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.657 10.983 1.149 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.013 14.576 0.219 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -5.578 15.020 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.557 13.885 0.973 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.532 11.304 -1.111 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.518 12.195 0.073 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.348 13.067 -0.946 1.00 0.00 H new ATOM 701 N HIS A 48 -7.053 14.147 4.299 1.00 0.00 N ATOM 702 CA HIS A 48 -7.233 15.213 5.279 1.00 0.00 C ATOM 703 C HIS A 48 -6.382 14.960 6.519 1.00 0.00 C ATOM 704 O HIS A 48 -5.761 15.878 7.056 1.00 0.00 O ATOM 705 CB HIS A 48 -8.706 15.331 5.671 1.00 0.00 C ATOM 706 CG HIS A 48 -8.925 16.056 6.963 1.00 0.00 C ATOM 707 ND1 HIS A 48 -9.205 15.412 8.150 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.903 17.379 7.251 1.00 0.00 C ATOM 709 CE1 HIS A 48 -9.347 16.307 9.111 1.00 0.00 C ATOM 710 NE2 HIS A 48 -9.168 17.508 8.592 1.00 0.00 N ATOM 0 H HIS A 48 -7.914 13.843 3.844 1.00 0.00 H new ATOM 0 HA HIS A 48 -6.910 16.150 4.824 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.244 15.849 4.877 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -9.134 14.332 5.747 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.712 18.183 6.555 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -9.571 16.093 10.146 1.00 0.00 H new ATOM 0 HE2 HIS A 48 -9.218 18.389 9.104 1.00 0.00 H new ATOM 719 N ARG A 49 -6.359 13.710 6.970 1.00 0.00 N ATOM 720 CA ARG A 49 -5.586 13.338 8.149 1.00 0.00 C ATOM 721 C ARG A 49 -4.159 13.870 8.054 1.00 0.00 C ATOM 722 O ARG A 49 -3.734 14.686 8.872 1.00 0.00 O ATOM 723 CB ARG A 49 -5.564 11.817 8.311 1.00 0.00 C ATOM 724 CG ARG A 49 -4.781 11.344 9.524 1.00 0.00 C ATOM 725 CD ARG A 49 -5.456 11.763 10.821 1.00 0.00 C ATOM 726 NE ARG A 49 -4.995 13.070 11.281 1.00 0.00 N ATOM 727 CZ ARG A 49 -5.705 13.860 12.078 1.00 0.00 C ATOM 728 NH1 ARG A 49 -6.901 13.478 12.502 1.00 0.00 N ATOM 729 NH2 ARG A 49 -5.217 15.036 12.454 1.00 0.00 N ATOM 0 H ARG A 49 -6.866 12.938 6.537 1.00 0.00 H new ATOM 0 HA ARG A 49 -6.064 13.783 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -6.589 11.454 8.387 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -5.133 11.371 7.415 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.686 10.259 9.496 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.771 11.754 9.489 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -6.536 11.790 10.675 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -5.257 11.017 11.591 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.078 13.394 10.973 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -7.279 12.575 12.216 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -7.444 14.087 13.114 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.296 15.333 12.131 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -5.763 15.642 13.066 1.00 0.00 H new ATOM 743 N PHE A 50 -3.424 13.402 7.051 1.00 0.00 N ATOM 744 CA PHE A 50 -2.044 13.829 6.850 1.00 0.00 C ATOM 745 C PHE A 50 -1.982 15.307 6.475 1.00 0.00 C ATOM 746 O PHE A 50 -1.276 16.090 7.111 1.00 0.00 O ATOM 747 CB PHE A 50 -1.381 12.987 5.758 1.00 0.00 C ATOM 748 CG PHE A 50 -1.125 11.565 6.170 1.00 0.00 C ATOM 749 CD1 PHE A 50 0.060 11.215 6.798 1.00 0.00 C ATOM 750 CD2 PHE A 50 -2.069 10.580 5.931 1.00 0.00 C ATOM 751 CE1 PHE A 50 0.298 9.907 7.177 1.00 0.00 C ATOM 752 CE2 PHE A 50 -1.837 9.271 6.309 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.652 8.935 6.934 1.00 0.00 C ATOM 0 H PHE A 50 -3.761 12.727 6.365 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.506 13.686 7.787 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.015 12.991 4.872 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.436 13.451 5.476 1.00 0.00 H new ATOM 0 HD1 PHE A 50 0.805 11.972 6.993 1.00 0.00 H new ATOM 0 HD2 PHE A 50 -2.998 10.838 5.443 1.00 0.00 H new ATOM 0 HE1 PHE A 50 1.226 9.646 7.663 1.00 0.00 H new ATOM 0 HE2 PHE A 50 -2.581 8.512 6.116 1.00 0.00 H new ATOM 0 HZ PHE A 50 -0.469 7.913 7.232 1.00 0.00 H new ATOM 763 N ARG A 51 -2.725 15.681 5.439 1.00 0.00 N ATOM 764 CA ARG A 51 -2.754 17.064 4.978 1.00 0.00 C ATOM 765 C ARG A 51 -4.173 17.621 5.019 1.00 0.00 C ATOM 766 O ARG A 51 -4.929 17.534 4.050 1.00 0.00 O ATOM 767 CB ARG A 51 -2.196 17.162 3.557 1.00 0.00 C ATOM 768 CG ARG A 51 -0.768 16.657 3.427 1.00 0.00 C ATOM 769 CD ARG A 51 0.240 17.771 3.662 1.00 0.00 C ATOM 770 NE ARG A 51 1.614 17.313 3.476 1.00 0.00 N ATOM 771 CZ ARG A 51 2.326 16.720 4.428 1.00 0.00 C ATOM 772 NH1 ARG A 51 1.796 16.513 5.625 1.00 0.00 N ATOM 773 NH2 ARG A 51 3.571 16.332 4.182 1.00 0.00 N ATOM 0 H ARG A 51 -3.315 15.045 4.902 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.131 17.657 5.647 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.837 16.592 2.884 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.236 18.201 3.231 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.598 15.854 4.144 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.619 16.234 2.433 1.00 0.00 H new ATOM 0 HD2 ARG A 51 0.036 18.595 2.978 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.121 18.160 4.673 1.00 0.00 H new ATOM 0 HE ARG A 51 2.051 17.456 2.566 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.839 16.809 5.817 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.345 16.057 6.354 1.00 0.00 H new ATOM 0 HH21 ARG A 51 3.982 16.489 3.262 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.117 15.877 4.913 1.00 0.00 H new ATOM 787 N PRO A 52 -4.547 18.208 6.165 1.00 0.00 N ATOM 788 CA PRO A 52 -5.877 18.791 6.360 1.00 0.00 C ATOM 789 C PRO A 52 -6.083 20.055 5.532 1.00 0.00 C ATOM 790 O PRO A 52 -7.215 20.481 5.305 1.00 0.00 O ATOM 791 CB PRO A 52 -5.906 19.120 7.855 1.00 0.00 C ATOM 792 CG PRO A 52 -4.475 19.297 8.231 1.00 0.00 C ATOM 793 CD PRO A 52 -3.698 18.348 7.361 1.00 0.00 C ATOM 0 HA PRO A 52 -6.669 18.112 6.044 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.482 20.025 8.050 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.370 18.317 8.428 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.154 20.326 8.070 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.319 19.076 9.287 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.714 18.746 7.111 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.538 17.389 7.855 1.00 0.00 H new ATOM 801 N GLU A 53 -4.981 20.649 5.084 1.00 0.00 N ATOM 802 CA GLU A 53 -5.043 21.865 4.282 1.00 0.00 C ATOM 803 C GLU A 53 -5.602 21.573 2.893 1.00 0.00 C ATOM 804 O GLU A 53 -6.221 22.434 2.266 1.00 0.00 O ATOM 805 CB GLU A 53 -3.653 22.494 4.162 1.00 0.00 C ATOM 806 CG GLU A 53 -2.602 21.548 3.606 1.00 0.00 C ATOM 807 CD GLU A 53 -1.893 20.761 4.691 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.433 20.678 5.814 1.00 0.00 O ATOM 809 OE2 GLU A 53 -0.797 20.229 4.417 1.00 0.00 O ATOM 0 H GLU A 53 -4.036 20.308 5.263 1.00 0.00 H new ATOM 0 HA GLU A 53 -5.710 22.566 4.783 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.715 23.372 3.519 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.334 22.840 5.145 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -3.074 20.855 2.910 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -1.868 22.120 3.038 1.00 0.00 H new ATOM 816 N LEU A 54 -5.380 20.353 2.417 1.00 0.00 N ATOM 817 CA LEU A 54 -5.861 19.945 1.101 1.00 0.00 C ATOM 818 C LEU A 54 -7.368 19.708 1.122 1.00 0.00 C ATOM 819 O LEU A 54 -8.118 20.355 0.390 1.00 0.00 O ATOM 820 CB LEU A 54 -5.140 18.676 0.643 1.00 0.00 C ATOM 821 CG LEU A 54 -3.613 18.747 0.610 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.027 17.417 0.165 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.151 19.870 -0.307 1.00 0.00 C ATOM 0 H LEU A 54 -4.870 19.629 2.922 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.648 20.750 0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -5.432 17.858 1.302 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.494 18.422 -0.356 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.256 18.959 1.618 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -1.939 17.486 0.147 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.330 16.635 0.861 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.391 17.175 -0.833 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.062 19.906 -0.318 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.519 19.689 -1.317 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.541 20.821 0.057 1.00 0.00 H new ATOM 835 N ILE A 55 -7.804 18.779 1.966 1.00 0.00 N ATOM 836 CA ILE A 55 -9.221 18.460 2.084 1.00 0.00 C ATOM 837 C ILE A 55 -9.777 18.913 3.430 1.00 0.00 C ATOM 838 O ILE A 55 -9.114 18.789 4.459 1.00 0.00 O ATOM 839 CB ILE A 55 -9.474 16.949 1.919 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.029 16.484 0.531 1.00 0.00 C ATOM 841 CG2 ILE A 55 -10.944 16.630 2.145 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.105 14.985 0.342 1.00 0.00 C ATOM 0 H ILE A 55 -7.196 18.234 2.578 1.00 0.00 H new ATOM 0 HA ILE A 55 -9.732 18.995 1.284 1.00 0.00 H new ATOM 0 HB ILE A 55 -8.888 16.414 2.666 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -9.650 16.969 -0.222 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.004 16.812 0.358 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.107 15.559 2.025 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.231 16.930 3.153 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -11.550 17.172 1.419 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -8.775 14.728 -0.664 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.462 14.493 1.072 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.133 14.652 0.482 1.00 0.00 H new ATOM 854 N ASN A 56 -10.998 19.436 3.414 1.00 0.00 N ATOM 855 CA ASN A 56 -11.644 19.906 4.634 1.00 0.00 C ATOM 856 C ASN A 56 -12.882 19.072 4.951 1.00 0.00 C ATOM 857 O ASN A 56 -13.994 19.414 4.548 1.00 0.00 O ATOM 858 CB ASN A 56 -12.031 21.380 4.495 1.00 0.00 C ATOM 859 CG ASN A 56 -12.437 21.998 5.819 1.00 0.00 C ATOM 860 OD1 ASN A 56 -11.725 21.880 6.817 1.00 0.00 O ATOM 861 ND2 ASN A 56 -13.586 22.663 5.834 1.00 0.00 N ATOM 0 H ASN A 56 -11.560 19.545 2.570 1.00 0.00 H new ATOM 0 HA ASN A 56 -10.935 19.798 5.455 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -11.190 21.936 4.080 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -12.854 21.472 3.787 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -13.910 23.101 6.696 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -14.144 22.736 4.983 1.00 0.00 H new ATOM 868 N PHE A 57 -12.680 17.976 5.675 1.00 0.00 N ATOM 869 CA PHE A 57 -13.779 17.093 6.046 1.00 0.00 C ATOM 870 C PHE A 57 -14.895 17.872 6.735 1.00 0.00 C ATOM 871 O PHE A 57 -16.078 17.627 6.495 1.00 0.00 O ATOM 872 CB PHE A 57 -13.277 15.978 6.966 1.00 0.00 C ATOM 873 CG PHE A 57 -14.179 14.778 7.002 1.00 0.00 C ATOM 874 CD1 PHE A 57 -14.040 13.762 6.070 1.00 0.00 C ATOM 875 CD2 PHE A 57 -15.167 14.666 7.967 1.00 0.00 C ATOM 876 CE1 PHE A 57 -14.868 12.656 6.100 1.00 0.00 C ATOM 877 CE2 PHE A 57 -15.998 13.562 8.003 1.00 0.00 C ATOM 878 CZ PHE A 57 -15.849 12.557 7.067 1.00 0.00 C ATOM 0 H PHE A 57 -11.766 17.678 6.016 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.179 16.650 5.134 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -12.285 15.667 6.639 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -13.170 16.372 7.976 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -13.275 13.835 5.311 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -15.289 15.450 8.699 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -14.748 11.870 5.369 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -16.763 13.485 8.762 1.00 0.00 H new ATOM 0 HZ PHE A 57 -16.499 11.695 7.091 1.00 0.00 H new ATOM 888 N ASP A 58 -14.510 18.811 7.592 1.00 0.00 N ATOM 889 CA ASP A 58 -15.477 19.628 8.317 1.00 0.00 C ATOM 890 C ASP A 58 -16.638 20.027 7.411 1.00 0.00 C ATOM 891 O ASP A 58 -17.798 19.992 7.820 1.00 0.00 O ATOM 892 CB ASP A 58 -14.800 20.878 8.881 1.00 0.00 C ATOM 893 CG ASP A 58 -14.088 20.609 10.191 1.00 0.00 C ATOM 894 OD1 ASP A 58 -14.669 19.914 11.051 1.00 0.00 O ATOM 895 OD2 ASP A 58 -12.949 21.093 10.357 1.00 0.00 O ATOM 0 H ASP A 58 -13.535 19.026 7.802 1.00 0.00 H new ATOM 0 HA ASP A 58 -15.871 19.035 9.142 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -14.084 21.259 8.153 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -15.548 21.657 9.031 1.00 0.00 H new ATOM 900 N SER A 59 -16.316 20.409 6.178 1.00 0.00 N ATOM 901 CA SER A 59 -17.331 20.820 5.216 1.00 0.00 C ATOM 902 C SER A 59 -18.001 19.605 4.581 1.00 0.00 C ATOM 903 O SER A 59 -19.228 19.535 4.489 1.00 0.00 O ATOM 904 CB SER A 59 -16.708 21.699 4.130 1.00 0.00 C ATOM 905 OG SER A 59 -17.699 22.452 3.452 1.00 0.00 O ATOM 0 H SER A 59 -15.360 20.442 5.823 1.00 0.00 H new ATOM 0 HA SER A 59 -18.089 21.395 5.748 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.978 22.373 4.578 1.00 0.00 H new ATOM 0 HB3 SER A 59 -16.170 21.075 3.417 1.00 0.00 H new ATOM 0 HG SER A 59 -17.275 23.007 2.764 1.00 0.00 H new ATOM 911 N LEU A 60 -17.188 18.651 4.143 1.00 0.00 N ATOM 912 CA LEU A 60 -17.701 17.437 3.516 1.00 0.00 C ATOM 913 C LEU A 60 -18.766 16.781 4.388 1.00 0.00 C ATOM 914 O LEU A 60 -18.475 16.295 5.480 1.00 0.00 O ATOM 915 CB LEU A 60 -16.559 16.452 3.257 1.00 0.00 C ATOM 916 CG LEU A 60 -15.381 16.989 2.444 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.298 15.929 2.310 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.847 17.454 1.072 1.00 0.00 C ATOM 0 H LEU A 60 -16.171 18.694 4.210 1.00 0.00 H new ATOM 0 HA LEU A 60 -18.157 17.714 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.182 16.103 4.218 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.966 15.583 2.740 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.960 17.845 2.972 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.467 16.329 1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -13.943 15.644 3.300 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.706 15.054 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.995 17.833 0.508 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -16.294 16.616 0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -16.587 18.246 1.188 1.00 0.00 H new ATOM 930 N ASN A 61 -20.001 16.770 3.897 1.00 0.00 N ATOM 931 CA ASN A 61 -21.110 16.172 4.632 1.00 0.00 C ATOM 932 C ASN A 61 -21.641 14.940 3.906 1.00 0.00 C ATOM 933 O ASN A 61 -21.667 14.895 2.677 1.00 0.00 O ATOM 934 CB ASN A 61 -22.235 17.192 4.819 1.00 0.00 C ATOM 935 CG ASN A 61 -23.592 16.535 4.976 1.00 0.00 C ATOM 936 OD1 ASN A 61 -23.740 15.559 5.713 1.00 0.00 O ATOM 937 ND2 ASN A 61 -24.591 17.067 4.282 1.00 0.00 N ATOM 0 H ASN A 61 -20.259 17.168 2.994 1.00 0.00 H new ATOM 0 HA ASN A 61 -20.741 15.865 5.611 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.026 17.802 5.698 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -22.257 17.865 3.962 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -25.527 16.667 4.347 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -24.422 17.876 3.684 1.00 0.00 H new ATOM 944 N GLU A 62 -22.065 13.943 4.677 1.00 0.00 N ATOM 945 CA GLU A 62 -22.596 12.710 4.106 1.00 0.00 C ATOM 946 C GLU A 62 -23.515 13.009 2.925 1.00 0.00 C ATOM 947 O GLU A 62 -23.307 12.506 1.821 1.00 0.00 O ATOM 948 CB GLU A 62 -23.357 11.916 5.170 1.00 0.00 C ATOM 949 CG GLU A 62 -22.540 11.636 6.421 1.00 0.00 C ATOM 950 CD GLU A 62 -23.094 10.482 7.233 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.316 10.469 7.487 1.00 0.00 O ATOM 952 OE2 GLU A 62 -22.305 9.593 7.616 1.00 0.00 O ATOM 0 H GLU A 62 -22.051 13.965 5.697 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.756 12.114 3.749 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -24.255 12.467 5.449 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -23.684 10.969 4.740 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -21.511 11.414 6.137 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -22.513 12.532 7.041 1.00 0.00 H new ATOM 959 N ASP A 63 -24.531 13.830 3.167 1.00 0.00 N ATOM 960 CA ASP A 63 -25.482 14.196 2.124 1.00 0.00 C ATOM 961 C ASP A 63 -24.758 14.568 0.834 1.00 0.00 C ATOM 962 O ASP A 63 -25.259 14.323 -0.264 1.00 0.00 O ATOM 963 CB ASP A 63 -26.355 15.364 2.588 1.00 0.00 C ATOM 964 CG ASP A 63 -27.605 15.522 1.745 1.00 0.00 C ATOM 965 OD1 ASP A 63 -28.371 14.542 1.629 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.819 16.626 1.203 1.00 0.00 O ATOM 0 H ASP A 63 -24.717 14.254 4.076 1.00 0.00 H new ATOM 0 HA ASP A 63 -26.117 13.333 1.927 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.639 15.210 3.629 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.775 16.286 2.549 1.00 0.00 H new ATOM 971 N ASP A 64 -23.577 15.161 0.974 1.00 0.00 N ATOM 972 CA ASP A 64 -22.784 15.566 -0.180 1.00 0.00 C ATOM 973 C ASP A 64 -21.807 14.465 -0.582 1.00 0.00 C ATOM 974 O ASP A 64 -20.609 14.559 -0.320 1.00 0.00 O ATOM 975 CB ASP A 64 -22.020 16.855 0.127 1.00 0.00 C ATOM 976 CG ASP A 64 -22.945 18.028 0.388 1.00 0.00 C ATOM 977 OD1 ASP A 64 -24.011 17.818 1.004 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.602 19.156 -0.023 1.00 0.00 O ATOM 0 H ASP A 64 -23.148 15.372 1.875 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.464 15.745 -1.013 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.383 16.698 0.997 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.363 17.093 -0.710 1.00 0.00 H new ATOM 983 N ALA A 65 -22.329 13.422 -1.219 1.00 0.00 N ATOM 984 CA ALA A 65 -21.504 12.304 -1.658 1.00 0.00 C ATOM 985 C ALA A 65 -20.716 12.662 -2.913 1.00 0.00 C ATOM 986 O ALA A 65 -19.488 12.572 -2.934 1.00 0.00 O ATOM 987 CB ALA A 65 -22.368 11.076 -1.908 1.00 0.00 C ATOM 0 H ALA A 65 -23.320 13.328 -1.442 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.791 12.078 -0.865 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.738 10.249 -2.235 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.882 10.799 -0.987 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -23.104 11.300 -2.681 1.00 0.00 H new ATOM 993 N VAL A 66 -21.429 13.069 -3.959 1.00 0.00 N ATOM 994 CA VAL A 66 -20.795 13.442 -5.218 1.00 0.00 C ATOM 995 C VAL A 66 -19.628 14.395 -4.985 1.00 0.00 C ATOM 996 O VAL A 66 -18.522 14.167 -5.474 1.00 0.00 O ATOM 997 CB VAL A 66 -21.802 14.105 -6.178 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.113 14.523 -7.468 1.00 0.00 C ATOM 999 CG2 VAL A 66 -22.963 13.165 -6.464 1.00 0.00 C ATOM 0 H VAL A 66 -22.446 13.149 -3.959 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.424 12.522 -5.670 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.199 15.000 -5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -21.839 14.989 -8.134 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.319 15.234 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -20.687 13.645 -7.954 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.664 13.649 -7.143 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.586 12.251 -6.922 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.471 12.921 -5.531 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.883 15.462 -4.235 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.853 16.450 -3.937 1.00 0.00 C ATOM 1011 C GLU A 67 -17.689 15.812 -3.185 1.00 0.00 C ATOM 1012 O GLU A 67 -16.527 16.001 -3.542 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.439 17.599 -3.114 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.570 18.334 -3.813 1.00 0.00 C ATOM 1015 CD GLU A 67 -20.171 18.852 -5.181 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -20.008 18.028 -6.105 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -20.022 20.083 -5.328 1.00 0.00 O ATOM 0 H GLU A 67 -20.794 15.664 -3.823 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.480 16.844 -4.882 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.804 17.206 -2.165 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.645 18.309 -2.880 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -21.424 17.665 -3.917 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.894 19.170 -3.192 1.00 0.00 H new ATOM 1024 N ASN A 68 -18.011 15.057 -2.139 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.993 14.392 -1.335 1.00 0.00 C ATOM 1026 C ASN A 68 -16.045 13.583 -2.216 1.00 0.00 C ATOM 1027 O ASN A 68 -14.835 13.808 -2.213 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.649 13.476 -0.299 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.338 14.254 0.805 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -18.199 15.474 0.901 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.087 13.550 1.646 1.00 0.00 N ATOM 0 H ASN A 68 -18.968 14.891 -1.829 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.416 15.159 -0.819 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.376 12.833 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.892 12.824 0.137 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.575 14.019 2.409 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.174 12.540 1.529 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.604 12.642 -2.970 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.809 11.800 -3.856 1.00 0.00 C ATOM 1040 C ASN A 69 -15.018 12.649 -4.847 1.00 0.00 C ATOM 1041 O ASN A 69 -13.788 12.649 -4.835 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.712 10.823 -4.611 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.214 9.698 -3.727 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.454 9.116 -2.952 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.500 9.387 -3.838 1.00 0.00 N ATOM 0 H ASN A 69 -17.604 12.444 -2.985 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.105 11.235 -3.245 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.563 11.364 -5.024 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.163 10.402 -5.453 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -18.895 8.639 -3.268 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.093 9.896 -4.493 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.734 13.370 -5.704 1.00 0.00 N ATOM 1053 CA GLN A 70 -15.099 14.223 -6.701 1.00 0.00 C ATOM 1054 C GLN A 70 -13.909 14.967 -6.104 1.00 0.00 C ATOM 1055 O GLN A 70 -12.854 15.076 -6.729 1.00 0.00 O ATOM 1056 CB GLN A 70 -16.109 15.223 -7.266 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.826 15.628 -8.704 1.00 0.00 C ATOM 1058 CD GLN A 70 -14.357 15.912 -8.951 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -13.802 16.876 -8.425 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -13.719 15.070 -9.756 1.00 0.00 N ATOM 0 H GLN A 70 -16.754 13.380 -5.728 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.738 13.586 -7.509 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -17.107 14.789 -7.209 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -16.113 16.115 -6.640 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.156 14.833 -9.373 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -16.410 16.515 -8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.219 14.283 -10.171 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -12.729 15.210 -9.959 1.00 0.00 H new ATOM 1069 N LEU A 71 -14.087 15.478 -4.890 1.00 0.00 N ATOM 1070 CA LEU A 71 -13.028 16.213 -4.207 1.00 0.00 C ATOM 1071 C LEU A 71 -11.775 15.355 -4.064 1.00 0.00 C ATOM 1072 O LEU A 71 -10.752 15.622 -4.695 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.505 16.672 -2.829 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.494 17.460 -1.996 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -12.212 18.810 -2.635 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.999 17.637 -0.571 1.00 0.00 C ATOM 0 H LEU A 71 -14.954 15.397 -4.359 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.781 17.088 -4.809 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.395 17.288 -2.961 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.807 15.793 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.562 16.896 -1.962 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.490 19.356 -2.028 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.806 18.661 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -13.138 19.382 -2.701 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.266 18.200 0.007 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.945 18.179 -0.585 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.148 16.659 -0.114 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.862 14.322 -3.232 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.737 13.423 -3.010 1.00 0.00 C ATOM 1090 C ALA A 72 -10.004 13.128 -4.314 1.00 0.00 C ATOM 1091 O ALA A 72 -8.775 13.176 -4.372 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.215 12.129 -2.366 1.00 0.00 C ATOM 0 H ALA A 72 -12.700 14.087 -2.701 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.038 13.916 -2.335 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.364 11.466 -2.206 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.687 12.352 -1.409 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -11.936 11.641 -3.022 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.766 12.821 -5.359 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.188 12.516 -6.663 1.00 0.00 C ATOM 1100 C PHE A 73 -9.403 13.708 -7.202 1.00 0.00 C ATOM 1101 O PHE A 73 -8.271 13.562 -7.663 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.287 12.125 -7.653 1.00 0.00 C ATOM 1103 CG PHE A 73 -12.041 10.889 -7.253 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.376 9.797 -6.719 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.416 10.818 -7.412 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.067 8.658 -6.350 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.112 9.682 -7.045 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.437 8.601 -6.514 1.00 0.00 C ATOM 0 H PHE A 73 -11.785 12.777 -5.328 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.503 11.677 -6.542 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.989 12.953 -7.751 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.841 11.967 -8.635 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.305 9.836 -6.589 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.950 11.660 -7.827 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.536 7.814 -5.934 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.183 9.640 -7.173 1.00 0.00 H new ATOM 0 HZ PHE A 73 -13.980 7.712 -6.227 1.00 0.00 H new ATOM 1118 N ASP A 74 -10.013 14.887 -7.141 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.372 16.105 -7.622 1.00 0.00 C ATOM 1120 C ASP A 74 -8.107 16.405 -6.824 1.00 0.00 C ATOM 1121 O ASP A 74 -7.090 16.816 -7.384 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.340 17.286 -7.531 1.00 0.00 C ATOM 1123 CG ASP A 74 -11.162 17.460 -8.792 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -11.263 16.490 -9.574 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -11.706 18.565 -8.998 1.00 0.00 O ATOM 0 H ASP A 74 -10.950 15.025 -6.763 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.094 15.953 -8.665 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.008 17.139 -6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.777 18.199 -7.339 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.177 16.198 -5.513 1.00 0.00 N ATOM 1131 CA VAL A 75 -7.037 16.447 -4.638 1.00 0.00 C ATOM 1132 C VAL A 75 -5.908 15.461 -4.914 1.00 0.00 C ATOM 1133 O VAL A 75 -4.741 15.845 -4.994 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.438 16.350 -3.154 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.203 16.361 -2.266 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.383 17.482 -2.782 1.00 0.00 C ATOM 0 H VAL A 75 -9.011 15.859 -5.033 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.691 17.459 -4.848 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.960 15.406 -2.997 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.506 16.292 -1.221 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.567 15.512 -2.517 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.650 17.287 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.656 17.397 -1.730 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.890 18.439 -2.953 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.282 17.422 -3.396 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.262 14.188 -5.059 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.279 13.147 -5.328 1.00 0.00 C ATOM 1148 C ALA A 76 -4.653 13.327 -6.707 1.00 0.00 C ATOM 1149 O ALA A 76 -3.484 13.004 -6.915 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.920 11.772 -5.213 1.00 0.00 C ATOM 0 H ALA A 76 -7.223 13.853 -4.994 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.487 13.229 -4.584 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.173 11.004 -5.417 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.314 11.637 -4.206 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.733 11.688 -5.934 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.440 13.842 -7.647 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.961 14.063 -9.006 1.00 0.00 C ATOM 1158 C GLU A 77 -4.262 15.414 -9.125 1.00 0.00 C ATOM 1159 O GLU A 77 -3.597 15.695 -10.122 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.125 13.990 -9.998 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.720 13.494 -11.376 1.00 0.00 C ATOM 1162 CD GLU A 77 -4.988 14.548 -12.184 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -5.505 15.680 -12.290 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -3.897 14.240 -12.709 1.00 0.00 O ATOM 0 H GLU A 77 -6.411 14.114 -7.492 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.241 13.279 -9.242 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.894 13.331 -9.595 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.572 14.979 -10.094 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.083 12.616 -11.269 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -6.610 13.178 -11.920 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.417 16.246 -8.100 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.802 17.568 -8.089 1.00 0.00 C ATOM 1173 C ARG A 78 -2.512 17.560 -7.274 1.00 0.00 C ATOM 1174 O ARG A 78 -1.569 18.289 -7.581 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.774 18.601 -7.517 1.00 0.00 C ATOM 1176 CG ARG A 78 -4.142 19.962 -7.274 1.00 0.00 C ATOM 1177 CD ARG A 78 -4.033 20.763 -8.562 1.00 0.00 C ATOM 1178 NE ARG A 78 -5.345 21.102 -9.108 1.00 0.00 N ATOM 1179 CZ ARG A 78 -5.522 21.671 -10.295 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.476 21.964 -11.056 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -6.747 21.949 -10.724 1.00 0.00 N ATOM 0 H ARG A 78 -4.963 16.028 -7.267 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.560 17.838 -9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.613 18.717 -8.203 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.179 18.225 -6.578 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.737 20.517 -6.549 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.151 19.832 -6.840 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.471 21.678 -8.374 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -3.471 20.190 -9.299 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.170 20.890 -8.547 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -3.533 21.752 -10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.615 22.401 -11.967 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.554 21.726 -10.142 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -6.881 22.386 -11.636 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.479 16.732 -6.235 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.306 16.632 -5.375 1.00 0.00 C ATOM 1197 C GLU A 79 -0.455 15.423 -5.754 1.00 0.00 C ATOM 1198 O GLU A 79 0.742 15.549 -6.015 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.728 16.532 -3.908 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.018 17.878 -3.265 1.00 0.00 C ATOM 1201 CD GLU A 79 -0.845 18.835 -3.359 1.00 0.00 C ATOM 1202 OE1 GLU A 79 0.245 18.489 -2.857 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -1.017 19.929 -3.936 1.00 0.00 O ATOM 0 H GLU A 79 -3.251 16.121 -5.968 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.709 17.533 -5.513 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.617 15.905 -3.836 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -0.940 16.032 -3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -2.887 18.326 -3.746 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -2.276 17.728 -2.217 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.082 14.252 -5.783 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.383 13.019 -6.128 1.00 0.00 C ATOM 1212 C PHE A 80 -0.363 12.811 -7.640 1.00 0.00 C ATOM 1213 O PHE A 80 0.461 12.063 -8.164 1.00 0.00 O ATOM 1214 CB PHE A 80 -1.049 11.822 -5.446 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.292 12.028 -3.978 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -0.249 12.360 -3.129 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -2.565 11.891 -3.448 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -0.470 12.549 -1.778 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -2.792 12.079 -2.097 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.744 12.409 -1.262 1.00 0.00 C ATOM 0 H PHE A 80 -2.072 14.130 -5.572 1.00 0.00 H new ATOM 0 HA PHE A 80 0.645 13.103 -5.776 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.999 11.616 -5.938 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.422 10.941 -5.582 1.00 0.00 H new ATOM 0 HD1 PHE A 80 0.748 12.472 -3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -3.389 11.635 -4.097 1.00 0.00 H new ATOM 0 HE1 PHE A 80 0.352 12.806 -1.126 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -3.788 11.968 -1.696 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.919 12.558 -0.207 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.278 13.479 -8.336 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.350 13.354 -9.780 1.00 0.00 C ATOM 1232 C GLY A 81 -1.834 11.987 -10.220 1.00 0.00 C ATOM 1233 O GLY A 81 -1.408 11.474 -11.255 1.00 0.00 O ATOM 0 H GLY A 81 -1.971 14.105 -7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.020 14.118 -10.175 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.365 13.542 -10.207 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.726 11.395 -9.432 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.268 10.079 -9.747 1.00 0.00 C ATOM 1239 C ILE A 82 -4.655 10.190 -10.371 1.00 0.00 C ATOM 1240 O ILE A 82 -5.565 10.805 -9.815 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.352 9.190 -8.492 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.954 8.948 -7.917 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -4.030 7.869 -8.823 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.964 8.217 -6.593 1.00 0.00 C ATOM 0 H ILE A 82 -3.088 11.806 -8.571 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.586 9.620 -10.463 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.950 9.705 -7.740 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.369 8.374 -8.635 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.451 9.907 -7.790 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.082 7.252 -7.926 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -5.038 8.060 -9.191 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.456 7.348 -9.589 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.940 8.080 -6.245 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.521 8.800 -5.860 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.438 7.243 -6.719 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.822 9.581 -11.553 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.096 9.595 -12.278 1.00 0.00 C ATOM 1258 C PRO A 83 -7.167 8.759 -11.585 1.00 0.00 C ATOM 1259 O PRO A 83 -6.953 7.597 -11.236 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.739 8.986 -13.636 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.545 8.136 -13.368 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.780 8.830 -12.274 1.00 0.00 C ATOM 0 HA PRO A 83 -6.516 10.599 -12.343 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.564 8.395 -14.034 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.517 9.760 -14.371 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.841 7.133 -13.061 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.934 8.028 -14.264 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.275 8.117 -11.622 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -3.014 9.492 -12.677 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.348 9.360 -11.380 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.476 8.688 -10.727 1.00 0.00 C ATOM 1272 C PRO A 84 -10.076 7.588 -11.596 1.00 0.00 C ATOM 1273 O PRO A 84 -10.207 7.744 -12.810 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.488 9.817 -10.518 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.162 10.818 -11.572 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.674 10.742 -11.769 1.00 0.00 C ATOM 0 HA PRO A 84 -9.176 8.190 -9.805 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.511 9.455 -10.619 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.399 10.249 -9.521 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.690 10.595 -12.499 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.464 11.819 -11.266 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.395 10.945 -12.803 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.149 11.468 -11.149 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.441 6.476 -10.966 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.029 5.350 -11.681 1.00 0.00 C ATOM 1286 C VAL A 85 -12.509 5.588 -11.959 1.00 0.00 C ATOM 1287 O VAL A 85 -13.007 5.281 -13.043 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.871 4.038 -10.890 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.400 3.694 -10.714 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.568 4.142 -9.542 1.00 0.00 C ATOM 0 H VAL A 85 -10.340 6.331 -9.961 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.494 5.262 -12.627 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.342 3.234 -11.456 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.308 2.764 -10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -8.935 3.575 -11.692 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.901 4.496 -10.170 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.446 3.206 -8.996 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -11.128 4.957 -8.967 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.629 4.337 -9.695 1.00 0.00 H new ATOM 1300 N THR A 86 -13.210 6.139 -10.972 1.00 0.00 N ATOM 1301 CA THR A 86 -14.634 6.418 -11.109 1.00 0.00 C ATOM 1302 C THR A 86 -14.944 7.871 -10.767 1.00 0.00 C ATOM 1303 O THR A 86 -14.191 8.525 -10.045 1.00 0.00 O ATOM 1304 CB THR A 86 -15.476 5.498 -10.205 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.870 5.713 -10.451 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.170 5.754 -8.737 1.00 0.00 C ATOM 0 H THR A 86 -12.814 6.401 -10.069 1.00 0.00 H new ATOM 0 HA THR A 86 -14.895 6.229 -12.150 1.00 0.00 H new ATOM 0 HB THR A 86 -15.221 4.464 -10.438 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.399 5.123 -9.874 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.777 5.093 -8.118 1.00 0.00 H new ATOM 0 HG22 THR A 86 -14.114 5.562 -8.547 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.400 6.791 -8.493 1.00 0.00 H new ATOM 1314 N THR A 87 -16.060 8.372 -11.289 1.00 0.00 N ATOM 1315 CA THR A 87 -16.470 9.748 -11.039 1.00 0.00 C ATOM 1316 C THR A 87 -17.371 9.839 -9.813 1.00 0.00 C ATOM 1317 O THR A 87 -18.174 8.944 -9.553 1.00 0.00 O ATOM 1318 CB THR A 87 -17.210 10.342 -12.252 1.00 0.00 C ATOM 1319 OG1 THR A 87 -18.299 9.491 -12.626 1.00 0.00 O ATOM 1320 CG2 THR A 87 -16.266 10.514 -13.432 1.00 0.00 C ATOM 0 H THR A 87 -16.696 7.845 -11.888 1.00 0.00 H new ATOM 0 HA THR A 87 -15.561 10.322 -10.861 1.00 0.00 H new ATOM 0 HB THR A 87 -17.595 11.322 -11.970 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.766 9.876 -13.397 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.812 10.935 -14.276 1.00 0.00 H new ATOM 0 HG22 THR A 87 -15.454 11.186 -13.154 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.854 9.545 -13.713 1.00 0.00 H new ATOM 1328 N GLY A 88 -17.233 10.927 -9.062 1.00 0.00 N ATOM 1329 CA GLY A 88 -18.042 11.115 -7.872 1.00 0.00 C ATOM 1330 C GLY A 88 -19.496 10.749 -8.096 1.00 0.00 C ATOM 1331 O GLY A 88 -20.107 10.071 -7.271 1.00 0.00 O ATOM 0 H GLY A 88 -16.575 11.682 -9.256 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.638 10.507 -7.062 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.977 12.155 -7.553 1.00 0.00 H new ATOM 1335 N LYS A 89 -20.052 11.201 -9.214 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.444 10.919 -9.546 1.00 0.00 C ATOM 1337 C LYS A 89 -21.725 9.421 -9.480 1.00 0.00 C ATOM 1338 O LYS A 89 -22.687 8.989 -8.845 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.775 11.451 -10.942 1.00 0.00 C ATOM 1340 CG LYS A 89 -21.794 12.967 -11.026 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.143 13.532 -10.615 1.00 0.00 C ATOM 1342 CE LYS A 89 -23.106 15.050 -10.522 1.00 0.00 C ATOM 1343 NZ LYS A 89 -24.460 15.649 -10.688 1.00 0.00 N ATOM 0 H LYS A 89 -19.560 11.765 -9.907 1.00 0.00 H new ATOM 0 HA LYS A 89 -22.076 11.422 -8.814 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -21.043 11.065 -11.652 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -22.748 11.066 -11.247 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -21.016 13.378 -10.383 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -21.563 13.279 -12.045 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -23.901 13.229 -11.337 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -23.436 13.114 -9.652 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -22.694 15.345 -9.557 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -22.438 15.445 -11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -24.392 16.684 -10.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -24.843 15.389 -11.619 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.091 15.292 -9.942 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.880 8.635 -10.140 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.039 7.186 -10.155 1.00 0.00 C ATOM 1359 C GLU A 90 -20.741 6.591 -8.782 1.00 0.00 C ATOM 1360 O GLU A 90 -21.500 5.766 -8.273 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.118 6.560 -11.205 1.00 0.00 C ATOM 1362 CG GLU A 90 -20.557 6.826 -12.635 1.00 0.00 C ATOM 1363 CD GLU A 90 -21.970 6.351 -12.910 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -22.246 5.153 -12.689 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -22.800 7.176 -13.345 1.00 0.00 O ATOM 0 H GLU A 90 -20.079 8.977 -10.671 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.075 6.963 -10.411 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -19.108 6.945 -11.066 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -20.074 5.483 -11.042 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -20.491 7.895 -12.838 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -19.871 6.328 -13.320 1.00 0.00 H new ATOM 1372 N MET A 91 -19.631 7.016 -8.188 1.00 0.00 N ATOM 1373 CA MET A 91 -19.233 6.527 -6.873 1.00 0.00 C ATOM 1374 C MET A 91 -20.429 6.472 -5.928 1.00 0.00 C ATOM 1375 O MET A 91 -20.618 5.492 -5.208 1.00 0.00 O ATOM 1376 CB MET A 91 -18.142 7.421 -6.281 1.00 0.00 C ATOM 1377 CG MET A 91 -17.383 6.775 -5.133 1.00 0.00 C ATOM 1378 SD MET A 91 -16.570 5.240 -5.614 1.00 0.00 S ATOM 1379 CE MET A 91 -17.593 4.036 -4.771 1.00 0.00 C ATOM 0 H MET A 91 -18.991 7.698 -8.596 1.00 0.00 H new ATOM 0 HA MET A 91 -18.840 5.517 -6.993 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.436 7.688 -7.068 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.594 8.349 -5.930 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.636 7.475 -4.757 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.073 6.575 -4.314 1.00 0.00 H new ATOM 0 HE1 MET A 91 -17.846 3.229 -5.458 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.049 3.630 -3.918 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.508 4.516 -4.423 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.233 7.530 -5.936 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.412 7.600 -5.081 1.00 0.00 C ATOM 1391 C ALA A 92 -23.587 6.854 -5.703 1.00 0.00 C ATOM 1392 O ALA A 92 -24.352 6.189 -5.005 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.786 9.051 -4.817 1.00 0.00 C ATOM 0 H ALA A 92 -21.090 8.350 -6.525 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.172 7.119 -4.133 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.668 9.089 -4.177 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.957 9.556 -4.322 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -23.002 9.549 -5.762 1.00 0.00 H new ATOM 1399 N SER A 93 -23.725 6.969 -7.021 1.00 0.00 N ATOM 1400 CA SER A 93 -24.810 6.308 -7.736 1.00 0.00 C ATOM 1401 C SER A 93 -24.718 4.793 -7.585 1.00 0.00 C ATOM 1402 O SER A 93 -25.594 4.163 -6.994 1.00 0.00 O ATOM 1403 CB SER A 93 -24.777 6.687 -9.218 1.00 0.00 C ATOM 1404 OG SER A 93 -26.069 6.608 -9.794 1.00 0.00 O ATOM 0 H SER A 93 -23.099 7.514 -7.614 1.00 0.00 H new ATOM 0 HA SER A 93 -25.753 6.642 -7.303 1.00 0.00 H new ATOM 0 HB2 SER A 93 -24.387 7.699 -9.329 1.00 0.00 H new ATOM 0 HB3 SER A 93 -24.097 6.023 -9.751 1.00 0.00 H new ATOM 0 HG SER A 93 -26.021 6.857 -10.741 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.649 4.215 -8.123 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.440 2.774 -8.046 1.00 0.00 C ATOM 1412 C ALA A 94 -23.433 2.297 -6.598 1.00 0.00 C ATOM 1413 O ALA A 94 -22.487 2.555 -5.855 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.138 2.393 -8.736 1.00 0.00 C ATOM 0 H ALA A 94 -22.915 4.722 -8.617 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.268 2.283 -8.558 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -21.994 1.314 -8.671 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.181 2.691 -9.784 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.306 2.900 -8.248 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.495 1.600 -6.205 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.610 1.088 -4.844 1.00 0.00 C ATOM 1422 C GLN A 95 -23.443 0.166 -4.509 1.00 0.00 C ATOM 1423 O GLN A 95 -22.694 0.416 -3.565 1.00 0.00 O ATOM 1424 CB GLN A 95 -25.934 0.341 -4.669 1.00 0.00 C ATOM 1425 CG GLN A 95 -27.156 1.184 -4.996 1.00 0.00 C ATOM 1426 CD GLN A 95 -27.480 2.188 -3.908 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -26.738 3.146 -3.689 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.595 1.975 -3.218 1.00 0.00 N ATOM 0 H GLN A 95 -25.287 1.377 -6.809 1.00 0.00 H new ATOM 0 HA GLN A 95 -24.586 1.936 -4.159 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -25.931 -0.542 -5.308 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.010 -0.010 -3.640 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.988 1.712 -5.934 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -28.014 0.529 -5.148 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -29.181 1.168 -3.432 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -28.865 2.618 -2.474 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.296 -0.901 -5.288 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.220 -1.862 -5.071 1.00 0.00 C ATOM 1439 C GLU A 96 -21.174 -1.765 -6.178 1.00 0.00 C ATOM 1440 O GLU A 96 -21.314 -2.349 -7.252 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.781 -3.284 -5.007 1.00 0.00 C ATOM 1442 CG GLU A 96 -21.970 -4.219 -4.127 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.209 -5.681 -4.452 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.121 -6.045 -5.644 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.485 -6.460 -3.517 1.00 0.00 O ATOM 0 H GLU A 96 -23.907 -1.122 -6.074 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.742 -1.625 -4.121 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.805 -3.245 -4.635 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.824 -3.694 -6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.910 -3.993 -4.244 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.221 -4.037 -3.082 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.099 -1.009 -5.911 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.007 -0.818 -6.870 1.00 0.00 C ATOM 1454 C PRO A 97 -18.186 -2.086 -7.075 1.00 0.00 C ATOM 1455 O PRO A 97 -18.461 -3.120 -6.466 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.152 0.274 -6.222 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.432 0.158 -4.763 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.865 -0.284 -4.650 1.00 0.00 C ATOM 0 HA PRO A 97 -19.377 -0.557 -7.861 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.093 0.126 -6.435 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.418 1.261 -6.599 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.763 -0.563 -4.293 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.277 1.112 -4.259 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.020 -0.926 -3.783 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.540 0.565 -4.543 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.178 -2.000 -7.937 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.316 -3.141 -8.221 1.00 0.00 C ATOM 1468 C ASP A 98 -15.197 -3.247 -7.190 1.00 0.00 C ATOM 1469 O ASP A 98 -14.206 -2.519 -7.256 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.723 -3.022 -9.625 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.783 -2.794 -10.685 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.885 -3.366 -10.552 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.511 -2.045 -11.646 1.00 0.00 O ATOM 0 H ASP A 98 -16.938 -1.152 -8.451 1.00 0.00 H new ATOM 0 HA ASP A 98 -16.922 -4.045 -8.167 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -15.010 -2.198 -9.646 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.168 -3.930 -9.860 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.362 -4.157 -6.236 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.367 -4.359 -5.190 1.00 0.00 C ATOM 1480 C LYS A 99 -12.954 -4.237 -5.752 1.00 0.00 C ATOM 1481 O LYS A 99 -12.119 -3.511 -5.209 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.551 -5.732 -4.540 1.00 0.00 C ATOM 1483 CG LYS A 99 -13.517 -6.044 -3.472 1.00 0.00 C ATOM 1484 CD LYS A 99 -13.606 -7.490 -3.015 1.00 0.00 C ATOM 1485 CE LYS A 99 -12.622 -7.781 -1.892 1.00 0.00 C ATOM 1486 NZ LYS A 99 -12.884 -9.100 -1.253 1.00 0.00 N ATOM 0 H LYS A 99 -16.177 -4.767 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.508 -3.585 -4.436 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.546 -5.784 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.506 -6.499 -5.313 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -12.519 -5.846 -3.862 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -13.663 -5.382 -2.618 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -14.620 -7.704 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.405 -8.152 -3.857 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -11.606 -7.764 -2.286 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -12.686 -6.994 -1.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -12.193 -9.261 -0.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -13.845 -9.108 -0.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -12.798 -9.854 -1.965 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.693 -4.949 -6.842 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.381 -4.920 -7.479 1.00 0.00 C ATOM 1502 C LEU A 100 -10.972 -3.490 -7.819 1.00 0.00 C ATOM 1503 O LEU A 100 -9.954 -2.994 -7.337 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.389 -5.774 -8.748 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.008 -7.245 -8.569 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.591 -7.368 -8.032 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -11.994 -7.942 -7.643 1.00 0.00 C ATOM 0 H LEU A 100 -13.372 -5.554 -7.304 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.655 -5.330 -6.777 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.386 -5.728 -9.187 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.703 -5.327 -9.468 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.048 -7.732 -9.543 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.338 -8.421 -7.911 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -8.895 -6.906 -8.732 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.523 -6.865 -7.067 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -11.708 -8.987 -7.527 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -11.986 -7.453 -6.669 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -12.996 -7.885 -8.069 1.00 0.00 H new ATOM 1519 N SER A 101 -11.775 -2.832 -8.649 1.00 0.00 N ATOM 1520 CA SER A 101 -11.496 -1.459 -9.054 1.00 0.00 C ATOM 1521 C SER A 101 -11.098 -0.608 -7.852 1.00 0.00 C ATOM 1522 O SER A 101 -10.199 0.228 -7.940 1.00 0.00 O ATOM 1523 CB SER A 101 -12.719 -0.850 -9.743 1.00 0.00 C ATOM 1524 OG SER A 101 -13.036 -1.551 -10.933 1.00 0.00 O ATOM 0 H SER A 101 -12.624 -3.227 -9.054 1.00 0.00 H new ATOM 0 HA SER A 101 -10.663 -1.475 -9.757 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.572 -0.874 -9.065 1.00 0.00 H new ATOM 0 HB3 SER A 101 -12.526 0.197 -9.975 1.00 0.00 H new ATOM 0 HG SER A 101 -13.822 -1.143 -11.353 1.00 0.00 H new ATOM 1530 N MET A 102 -11.776 -0.828 -6.730 1.00 0.00 N ATOM 1531 CA MET A 102 -11.493 -0.082 -5.509 1.00 0.00 C ATOM 1532 C MET A 102 -10.131 -0.467 -4.940 1.00 0.00 C ATOM 1533 O MET A 102 -9.299 0.395 -4.659 1.00 0.00 O ATOM 1534 CB MET A 102 -12.584 -0.336 -4.467 1.00 0.00 C ATOM 1535 CG MET A 102 -13.782 0.591 -4.603 1.00 0.00 C ATOM 1536 SD MET A 102 -13.327 2.333 -4.497 1.00 0.00 S ATOM 1537 CE MET A 102 -12.289 2.324 -3.038 1.00 0.00 C ATOM 0 H MET A 102 -12.524 -1.516 -6.641 1.00 0.00 H new ATOM 0 HA MET A 102 -11.477 0.979 -5.757 1.00 0.00 H new ATOM 0 HB2 MET A 102 -12.923 -1.369 -4.552 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.157 -0.221 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.274 0.405 -5.558 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.506 0.360 -3.821 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.104 3.349 -2.717 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.790 1.778 -2.238 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.341 1.839 -3.269 1.00 0.00 H new ATOM 1547 N VAL A 103 -9.911 -1.767 -4.772 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.649 -2.266 -4.237 1.00 0.00 C ATOM 1549 C VAL A 103 -7.468 -1.778 -5.069 1.00 0.00 C ATOM 1550 O VAL A 103 -6.507 -1.224 -4.536 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.629 -3.805 -4.191 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.275 -4.308 -3.712 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -9.746 -4.326 -3.298 1.00 0.00 C ATOM 0 H VAL A 103 -10.590 -2.494 -4.998 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.560 -1.878 -3.222 1.00 0.00 H new ATOM 0 HB VAL A 103 -8.794 -4.183 -5.200 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.280 -5.398 -3.686 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.497 -3.965 -4.394 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.076 -3.922 -2.712 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -9.717 -5.415 -3.277 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.614 -3.940 -2.287 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.708 -3.996 -3.689 1.00 0.00 H new ATOM 1563 N MET A 104 -7.548 -1.987 -6.379 1.00 0.00 N ATOM 1564 CA MET A 104 -6.486 -1.567 -7.286 1.00 0.00 C ATOM 1565 C MET A 104 -6.181 -0.082 -7.114 1.00 0.00 C ATOM 1566 O MET A 104 -5.024 0.335 -7.176 1.00 0.00 O ATOM 1567 CB MET A 104 -6.880 -1.854 -8.736 1.00 0.00 C ATOM 1568 CG MET A 104 -8.098 -1.072 -9.201 1.00 0.00 C ATOM 1569 SD MET A 104 -8.387 -1.226 -10.974 1.00 0.00 S ATOM 1570 CE MET A 104 -8.073 0.452 -11.515 1.00 0.00 C ATOM 0 H MET A 104 -8.337 -2.444 -6.836 1.00 0.00 H new ATOM 0 HA MET A 104 -5.588 -2.135 -7.042 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.037 -1.619 -9.386 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.079 -2.920 -8.846 1.00 0.00 H new ATOM 0 HG2 MET A 104 -8.978 -1.423 -8.662 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.968 -0.020 -8.948 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.512 0.434 -12.449 1.00 0.00 H new ATOM 0 HE2 MET A 104 -9.021 0.967 -11.671 1.00 0.00 H new ATOM 0 HE3 MET A 104 -7.495 0.977 -10.755 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.224 0.711 -6.899 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.068 2.149 -6.721 1.00 0.00 C ATOM 1582 C TYR A 105 -6.415 2.465 -5.379 1.00 0.00 C ATOM 1583 O TYR A 105 -5.314 3.016 -5.324 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.426 2.847 -6.816 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.340 4.354 -6.726 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -7.950 5.114 -7.823 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.647 5.018 -5.545 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -7.870 6.491 -7.745 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.571 6.394 -5.459 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.181 7.126 -6.561 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.103 8.498 -6.479 1.00 0.00 O ATOM 0 H TYR A 105 -8.188 0.382 -6.844 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.420 2.519 -7.516 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -8.900 2.574 -7.759 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.070 2.480 -6.017 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -7.706 4.620 -8.752 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.950 4.448 -4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.566 7.067 -8.606 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -8.816 6.894 -4.534 1.00 0.00 H new ATOM 0 HH TYR A 105 -8.356 8.787 -5.577 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.100 2.110 -4.297 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.588 2.354 -2.953 1.00 0.00 C ATOM 1603 C LEU A 106 -5.101 2.024 -2.869 1.00 0.00 C ATOM 1604 O LEU A 106 -4.308 2.816 -2.360 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.365 1.522 -1.932 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.884 1.700 -1.937 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.568 0.467 -1.367 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -9.278 2.942 -1.151 1.00 0.00 C ATOM 0 H LEU A 106 -8.011 1.652 -4.324 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.720 3.412 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.142 0.469 -2.106 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.994 1.766 -0.937 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.212 1.828 -2.969 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.648 0.612 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.312 -0.403 -1.972 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -9.234 0.307 -0.342 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -10.362 3.053 -1.165 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.937 2.844 -0.120 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.818 3.820 -1.604 1.00 0.00 H new ATOM 1620 N SER A 107 -4.731 0.852 -3.373 1.00 0.00 N ATOM 1621 CA SER A 107 -3.339 0.416 -3.354 1.00 0.00 C ATOM 1622 C SER A 107 -2.404 1.569 -3.709 1.00 0.00 C ATOM 1623 O SER A 107 -1.321 1.703 -3.140 1.00 0.00 O ATOM 1624 CB SER A 107 -3.131 -0.743 -4.331 1.00 0.00 C ATOM 1625 OG SER A 107 -3.351 -1.990 -3.696 1.00 0.00 O ATOM 0 H SER A 107 -5.375 0.186 -3.800 1.00 0.00 H new ATOM 0 HA SER A 107 -3.104 0.077 -2.345 1.00 0.00 H new ATOM 0 HB2 SER A 107 -3.811 -0.637 -5.176 1.00 0.00 H new ATOM 0 HB3 SER A 107 -2.118 -0.709 -4.731 1.00 0.00 H new ATOM 0 HG SER A 107 -3.214 -2.715 -4.341 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.832 2.400 -4.653 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.036 3.542 -5.085 1.00 0.00 C ATOM 1633 C LYS A 108 -1.536 4.342 -3.886 1.00 0.00 C ATOM 1634 O LYS A 108 -0.380 4.764 -3.848 1.00 0.00 O ATOM 1635 CB LYS A 108 -2.860 4.446 -6.005 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.455 3.718 -7.199 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.494 3.699 -8.376 1.00 0.00 C ATOM 1638 CE LYS A 108 -2.747 2.505 -9.283 1.00 0.00 C ATOM 1639 NZ LYS A 108 -1.706 2.381 -10.341 1.00 0.00 N ATOM 0 H LYS A 108 -3.726 2.304 -5.134 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.173 3.164 -5.634 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -3.666 4.900 -5.428 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.228 5.259 -6.363 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.705 2.696 -6.915 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.385 4.203 -7.495 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.600 4.621 -8.948 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.468 3.667 -8.009 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.768 1.593 -8.686 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.728 2.604 -9.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -1.914 1.555 -10.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -1.703 3.240 -10.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -0.773 2.261 -9.898 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.413 4.544 -2.908 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.060 5.292 -1.707 1.00 0.00 C ATOM 1655 C PHE A 109 -1.351 4.395 -0.697 1.00 0.00 C ATOM 1656 O PHE A 109 -0.309 4.758 -0.152 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.312 5.903 -1.075 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.060 6.824 -1.995 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.450 7.957 -2.509 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.374 6.558 -2.346 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.135 8.807 -3.357 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.064 7.403 -3.194 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.444 8.530 -3.699 1.00 0.00 C ATOM 0 H PHE A 109 -3.373 4.200 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.379 6.093 -1.994 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -3.978 5.100 -0.758 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.025 6.452 -0.178 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.427 8.179 -2.244 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -5.864 5.680 -1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.647 9.686 -3.751 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.087 7.183 -3.462 1.00 0.00 H new ATOM 0 HZ PHE A 109 -5.982 9.193 -4.360 1.00 0.00 H new ATOM 1673 N TYR A 110 -1.926 3.223 -0.451 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.352 2.274 0.496 1.00 0.00 C ATOM 1675 C TYR A 110 0.158 2.161 0.308 1.00 0.00 C ATOM 1676 O TYR A 110 0.931 2.460 1.216 1.00 0.00 O ATOM 1677 CB TYR A 110 -2.002 0.899 0.331 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.359 -0.180 1.172 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.657 -0.306 2.523 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.452 -1.073 0.615 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -1.071 -1.290 3.295 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.138 -2.061 1.379 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.174 -2.166 2.719 1.00 0.00 C ATOM 1684 OH TYR A 110 0.412 -3.148 3.484 1.00 0.00 O ATOM 0 H TYR A 110 -2.789 2.907 -0.894 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.548 2.642 1.503 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.057 0.972 0.593 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.954 0.607 -0.718 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.359 0.377 2.978 1.00 0.00 H new ATOM 0 HD2 TYR A 110 -0.204 -0.993 -0.433 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.314 -1.373 4.344 1.00 0.00 H new ATOM 0 HE2 TYR A 110 0.840 -2.748 0.930 1.00 0.00 H new ATOM 0 HH TYR A 110 1.017 -3.680 2.926 1.00 0.00 H new ATOM 1694 N GLU A 111 0.568 1.727 -0.880 1.00 0.00 N ATOM 1695 CA GLU A 111 1.985 1.574 -1.189 1.00 0.00 C ATOM 1696 C GLU A 111 2.719 2.905 -1.049 1.00 0.00 C ATOM 1697 O GLU A 111 3.782 2.979 -0.432 1.00 0.00 O ATOM 1698 CB GLU A 111 2.165 1.026 -2.606 1.00 0.00 C ATOM 1699 CG GLU A 111 1.532 -0.340 -2.815 1.00 0.00 C ATOM 1700 CD GLU A 111 2.437 -1.475 -2.378 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.705 -1.587 -1.164 1.00 0.00 O ATOM 1702 OE2 GLU A 111 2.877 -2.252 -3.251 1.00 0.00 O ATOM 0 H GLU A 111 -0.060 1.475 -1.643 1.00 0.00 H new ATOM 0 HA GLU A 111 2.411 0.867 -0.477 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.732 1.730 -3.317 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.230 0.962 -2.829 1.00 0.00 H new ATOM 0 HG2 GLU A 111 0.596 -0.392 -2.259 1.00 0.00 H new ATOM 0 HG3 GLU A 111 1.283 -0.464 -3.869 1.00 0.00 H new ATOM 1709 N LEU A 112 2.145 3.954 -1.628 1.00 0.00 N ATOM 1710 CA LEU A 112 2.743 5.283 -1.569 1.00 0.00 C ATOM 1711 C LEU A 112 3.141 5.638 -0.140 1.00 0.00 C ATOM 1712 O LEU A 112 4.308 5.910 0.141 1.00 0.00 O ATOM 1713 CB LEU A 112 1.768 6.327 -2.115 1.00 0.00 C ATOM 1714 CG LEU A 112 2.355 7.711 -2.394 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.387 7.639 -3.508 1.00 0.00 C ATOM 1716 CD2 LEU A 112 1.251 8.696 -2.751 1.00 0.00 C ATOM 0 H LEU A 112 1.266 3.910 -2.144 1.00 0.00 H new ATOM 0 HA LEU A 112 3.642 5.278 -2.185 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.337 5.944 -3.040 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.950 6.438 -1.404 1.00 0.00 H new ATOM 0 HG LEU A 112 2.851 8.063 -1.489 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.793 8.633 -3.692 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.193 6.966 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 112 2.916 7.266 -4.417 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.687 9.676 -2.946 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.727 8.348 -3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.548 8.771 -1.922 1.00 0.00 H new ATOM 1728 N PHE A 113 2.162 5.634 0.759 1.00 0.00 N ATOM 1729 CA PHE A 113 2.410 5.955 2.160 1.00 0.00 C ATOM 1730 C PHE A 113 3.324 4.915 2.803 1.00 0.00 C ATOM 1731 O PHE A 113 4.323 5.258 3.436 1.00 0.00 O ATOM 1732 CB PHE A 113 1.089 6.033 2.928 1.00 0.00 C ATOM 1733 CG PHE A 113 0.219 7.183 2.508 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.695 8.483 2.556 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.075 6.964 2.064 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.104 9.543 2.171 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -1.879 8.020 1.677 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.392 9.311 1.730 1.00 0.00 C ATOM 0 H PHE A 113 1.190 5.412 0.543 1.00 0.00 H new ATOM 0 HA PHE A 113 2.906 6.925 2.203 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.540 5.102 2.787 1.00 0.00 H new ATOM 0 HB3 PHE A 113 1.302 6.119 3.994 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.702 8.670 2.898 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.460 5.956 2.020 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.279 10.552 2.215 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -2.886 7.836 1.334 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.017 10.138 1.427 1.00 0.00 H new ATOM 1748 N ARG A 114 2.974 3.644 2.635 1.00 0.00 N ATOM 1749 CA ARG A 114 3.761 2.555 3.200 1.00 0.00 C ATOM 1750 C ARG A 114 5.254 2.802 3.001 1.00 0.00 C ATOM 1751 O ARG A 114 6.047 2.661 3.931 1.00 0.00 O ATOM 1752 CB ARG A 114 3.363 1.224 2.559 1.00 0.00 C ATOM 1753 CG ARG A 114 3.738 0.010 3.393 1.00 0.00 C ATOM 1754 CD ARG A 114 2.874 -1.192 3.046 1.00 0.00 C ATOM 1755 NE ARG A 114 3.415 -2.432 3.597 1.00 0.00 N ATOM 1756 CZ ARG A 114 4.405 -3.116 3.034 1.00 0.00 C ATOM 1757 NH1 ARG A 114 4.959 -2.683 1.910 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.842 -4.236 3.595 1.00 0.00 N ATOM 0 H ARG A 114 2.151 3.343 2.113 1.00 0.00 H new ATOM 0 HA ARG A 114 3.558 2.510 4.270 1.00 0.00 H new ATOM 0 HB2 ARG A 114 2.286 1.219 2.390 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.839 1.144 1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.787 -0.235 3.229 1.00 0.00 H new ATOM 0 HG3 ARG A 114 3.627 0.246 4.451 1.00 0.00 H new ATOM 0 HD2 ARG A 114 1.865 -1.036 3.428 1.00 0.00 H new ATOM 0 HD3 ARG A 114 2.795 -1.281 1.963 1.00 0.00 H new ATOM 0 HE ARG A 114 3.011 -2.792 4.461 1.00 0.00 H new ATOM 0 HH11 ARG A 114 4.625 -1.823 1.475 1.00 0.00 H new ATOM 0 HH12 ARG A 114 5.719 -3.210 1.480 1.00 0.00 H new ATOM 0 HH21 ARG A 114 4.418 -4.573 4.459 1.00 0.00 H new ATOM 0 HH22 ARG A 114 5.602 -4.760 3.162 1.00 0.00 H new