USER MOD reduce.3.24.130724 H: found=0, std=0, add=804, rem=0, adj=22 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 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 93 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 25 TYR OH : rot 57:sc= 2.03 USER MOD Set 2.2: A 48 HIS : no HE2:sc= 0.501 K(o=2.5,f=-4.3!) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 THR OG1 : rot 76:sc= 1.07 USER MOD Single : A 18 CYS SG : rot -135:sc= 0.236 USER MOD Single : A 19 GLN : amide:sc= -0.118 K(o=-0.12,f=-0.69) USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 21 GLN : amide:sc= -0.0776 X(o=-0.078,f=-0.34) USER MOD Single : A 22 THR OG1 : rot 120:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.0335 X(o=-0.034,f=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 29 ASN : amide:sc= -1.35 X(o=-1.3,f=-1.5) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= -0.0767 USER MOD Single : A 35 THR OG1 : rot -32:sc= 0.685 USER MOD Single : A 36 SER OG : rot 90:sc= -0.423 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 CYS SG : rot 171:sc= -1.2 USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -8.12! C(o=-8.1!,f=-4.1!) USER MOD Single : A 68 ASN : amide:sc= -0.892 K(o=-0.89,f=-3.1!) USER MOD Single : A 69 ASN : amide:sc= -3.55! C(o=-3.5!,f=-4.3!) USER MOD Single : A 70 GLN : amide:sc= -0.106 X(o=-0.11,f=-0.14) USER MOD Single : A 86 THR OG1 : rot 129:sc= 0.0485 USER MOD Single : A 87 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 MET CE :methyl 137:sc= -2.55! (180deg=-3.25) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 MET CE :methyl -167:sc= -0.294 (180deg=-1.24) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 105 TYR OH : rot -109:sc= 0.0147 USER MOD Single : A 107 SER OG : rot -62:sc= 1.22 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 130:sc= 0.129 USER MOD ----------------------------------------------------------------- ATOM 135 N SER A 12 -7.472 -8.193 3.043 1.00 0.00 N ATOM 136 CA SER A 12 -7.479 -8.182 4.501 1.00 0.00 C ATOM 137 C SER A 12 -6.441 -7.204 5.042 1.00 0.00 C ATOM 138 O SER A 12 -6.732 -6.395 5.923 1.00 0.00 O ATOM 139 CB SER A 12 -7.204 -9.586 5.044 1.00 0.00 C ATOM 140 OG SER A 12 -7.865 -9.794 6.280 1.00 0.00 O ATOM 0 HA SER A 12 -8.466 -7.858 4.832 1.00 0.00 H new ATOM 0 HB2 SER A 12 -7.536 -10.330 4.321 1.00 0.00 H new ATOM 0 HB3 SER A 12 -6.131 -9.725 5.174 1.00 0.00 H new ATOM 0 HG SER A 12 -7.675 -10.699 6.605 1.00 0.00 H new ATOM 146 N LYS A 13 -5.227 -7.284 4.508 1.00 0.00 N ATOM 147 CA LYS A 13 -4.144 -6.406 4.934 1.00 0.00 C ATOM 148 C LYS A 13 -4.455 -4.952 4.593 1.00 0.00 C ATOM 149 O LYS A 13 -4.370 -4.071 5.449 1.00 0.00 O ATOM 150 CB LYS A 13 -2.829 -6.826 4.272 1.00 0.00 C ATOM 151 CG LYS A 13 -2.140 -7.985 4.971 1.00 0.00 C ATOM 152 CD LYS A 13 -2.666 -9.324 4.482 1.00 0.00 C ATOM 153 CE LYS A 13 -2.032 -9.722 3.158 1.00 0.00 C ATOM 154 NZ LYS A 13 -0.784 -10.510 3.356 1.00 0.00 N ATOM 0 H LYS A 13 -4.968 -7.949 3.779 1.00 0.00 H new ATOM 0 HA LYS A 13 -4.044 -6.493 6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -3.025 -7.102 3.236 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -2.153 -5.971 4.251 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -1.066 -7.929 4.796 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -2.292 -7.904 6.047 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -2.462 -10.091 5.229 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -3.749 -9.271 4.367 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -2.743 -10.308 2.576 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -1.808 -8.826 2.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -0.382 -10.762 2.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -0.095 -9.942 3.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -1.002 -11.377 3.887 1.00 0.00 H new ATOM 168 N LEU A 14 -4.818 -4.709 3.338 1.00 0.00 N ATOM 169 CA LEU A 14 -5.144 -3.361 2.884 1.00 0.00 C ATOM 170 C LEU A 14 -6.178 -2.713 3.800 1.00 0.00 C ATOM 171 O LEU A 14 -5.946 -1.636 4.351 1.00 0.00 O ATOM 172 CB LEU A 14 -5.671 -3.399 1.448 1.00 0.00 C ATOM 173 CG LEU A 14 -6.277 -2.098 0.921 1.00 0.00 C ATOM 174 CD1 LEU A 14 -5.215 -1.013 0.830 1.00 0.00 C ATOM 175 CD2 LEU A 14 -6.929 -2.325 -0.436 1.00 0.00 C ATOM 0 H LEU A 14 -4.894 -5.427 2.617 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.233 -2.763 2.915 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.852 -3.688 0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.426 -4.182 1.380 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.045 -1.768 1.620 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.665 -0.094 0.453 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.794 -0.832 1.819 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.424 -1.334 0.153 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.355 -1.389 -0.796 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.180 -2.679 -1.145 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.719 -3.070 -0.340 1.00 0.00 H new ATOM 187 N LEU A 15 -7.318 -3.376 3.960 1.00 0.00 N ATOM 188 CA LEU A 15 -8.387 -2.866 4.811 1.00 0.00 C ATOM 189 C LEU A 15 -7.845 -2.452 6.175 1.00 0.00 C ATOM 190 O LEU A 15 -8.084 -1.335 6.638 1.00 0.00 O ATOM 191 CB LEU A 15 -9.477 -3.925 4.983 1.00 0.00 C ATOM 192 CG LEU A 15 -10.572 -3.602 6.001 1.00 0.00 C ATOM 193 CD1 LEU A 15 -11.508 -2.534 5.457 1.00 0.00 C ATOM 194 CD2 LEU A 15 -11.349 -4.858 6.366 1.00 0.00 C ATOM 0 H LEU A 15 -7.526 -4.268 3.511 1.00 0.00 H new ATOM 0 HA LEU A 15 -8.815 -1.988 4.328 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -9.948 -4.094 4.014 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -9.003 -4.862 5.275 1.00 0.00 H new ATOM 0 HG LEU A 15 -10.099 -3.216 6.904 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -12.281 -2.317 6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.942 -1.627 5.247 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.974 -2.892 4.539 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -12.124 -4.609 7.091 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -11.811 -5.273 5.470 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.670 -5.593 6.798 1.00 0.00 H new ATOM 206 N THR A 16 -7.112 -3.357 6.816 1.00 0.00 N ATOM 207 CA THR A 16 -6.535 -3.086 8.126 1.00 0.00 C ATOM 208 C THR A 16 -5.878 -1.711 8.164 1.00 0.00 C ATOM 209 O THR A 16 -6.258 -0.852 8.960 1.00 0.00 O ATOM 210 CB THR A 16 -5.492 -4.151 8.513 1.00 0.00 C ATOM 211 OG1 THR A 16 -6.081 -5.455 8.458 1.00 0.00 O ATOM 212 CG2 THR A 16 -4.947 -3.894 9.910 1.00 0.00 C ATOM 0 H THR A 16 -6.904 -4.285 6.448 1.00 0.00 H new ATOM 0 HA THR A 16 -7.355 -3.114 8.843 1.00 0.00 H new ATOM 0 HB THR A 16 -4.667 -4.094 7.803 1.00 0.00 H new ATOM 0 HG1 THR A 16 -6.169 -5.735 7.523 1.00 0.00 H new ATOM 0 HG21 THR A 16 -4.212 -4.659 10.160 1.00 0.00 H new ATOM 0 HG22 THR A 16 -4.474 -2.913 9.941 1.00 0.00 H new ATOM 0 HG23 THR A 16 -5.764 -3.926 10.631 1.00 0.00 H new ATOM 220 N TRP A 17 -4.892 -1.508 7.298 1.00 0.00 N ATOM 221 CA TRP A 17 -4.182 -0.236 7.232 1.00 0.00 C ATOM 222 C TRP A 17 -5.162 0.931 7.166 1.00 0.00 C ATOM 223 O TRP A 17 -5.075 1.872 7.955 1.00 0.00 O ATOM 224 CB TRP A 17 -3.254 -0.208 6.016 1.00 0.00 C ATOM 225 CG TRP A 17 -2.498 1.078 5.876 1.00 0.00 C ATOM 226 CD1 TRP A 17 -1.337 1.420 6.510 1.00 0.00 C ATOM 227 CD2 TRP A 17 -2.850 2.194 5.050 1.00 0.00 C ATOM 228 NE1 TRP A 17 -0.947 2.681 6.129 1.00 0.00 N ATOM 229 CE2 TRP A 17 -1.857 3.177 5.233 1.00 0.00 C ATOM 230 CE3 TRP A 17 -3.905 2.457 4.173 1.00 0.00 C ATOM 231 CZ2 TRP A 17 -1.892 4.401 4.572 1.00 0.00 C ATOM 232 CZ3 TRP A 17 -3.939 3.673 3.518 1.00 0.00 C ATOM 233 CH2 TRP A 17 -2.937 4.632 3.719 1.00 0.00 C ATOM 0 H TRP A 17 -4.566 -2.208 6.632 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.585 -0.134 8.138 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -2.544 -1.032 6.090 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.843 -0.375 5.114 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -0.804 0.791 7.208 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -0.115 3.169 6.460 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.680 1.723 4.010 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -1.122 5.142 4.727 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -4.751 3.888 2.840 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -2.991 5.572 3.190 1.00 0.00 H new ATOM 244 N CYS A 18 -6.093 0.863 6.220 1.00 0.00 N ATOM 245 CA CYS A 18 -7.089 1.915 6.052 1.00 0.00 C ATOM 246 C CYS A 18 -7.835 2.172 7.357 1.00 0.00 C ATOM 247 O CYS A 18 -7.939 3.312 7.809 1.00 0.00 O ATOM 248 CB CYS A 18 -8.079 1.536 4.949 1.00 0.00 C ATOM 249 SG CYS A 18 -7.328 1.343 3.316 1.00 0.00 S ATOM 0 H CYS A 18 -6.179 0.091 5.559 1.00 0.00 H new ATOM 0 HA CYS A 18 -6.571 2.830 5.766 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -8.572 0.603 5.223 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -8.854 2.301 4.893 1.00 0.00 H new ATOM 0 HG CYS A 18 -8.063 1.943 2.427 1.00 0.00 H new ATOM 255 N GLN A 19 -8.355 1.105 7.955 1.00 0.00 N ATOM 256 CA GLN A 19 -9.094 1.215 9.207 1.00 0.00 C ATOM 257 C GLN A 19 -8.325 2.056 10.221 1.00 0.00 C ATOM 258 O GLN A 19 -8.888 2.946 10.857 1.00 0.00 O ATOM 259 CB GLN A 19 -9.372 -0.173 9.784 1.00 0.00 C ATOM 260 CG GLN A 19 -10.675 -0.785 9.296 1.00 0.00 C ATOM 261 CD GLN A 19 -10.802 -2.253 9.655 1.00 0.00 C ATOM 262 OE1 GLN A 19 -10.036 -2.773 10.467 1.00 0.00 O ATOM 263 NE2 GLN A 19 -11.772 -2.929 9.051 1.00 0.00 N ATOM 0 H GLN A 19 -8.278 0.155 7.593 1.00 0.00 H new ATOM 0 HA GLN A 19 -10.043 1.709 8.997 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -8.548 -0.837 9.523 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -9.396 -0.107 10.872 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -11.513 -0.236 9.726 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -10.742 -0.673 8.214 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -12.384 -2.458 8.385 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -11.906 -3.920 9.253 1.00 0.00 H new ATOM 272 N GLN A 20 -7.036 1.766 10.366 1.00 0.00 N ATOM 273 CA GLN A 20 -6.190 2.495 11.304 1.00 0.00 C ATOM 274 C GLN A 20 -6.188 3.987 10.989 1.00 0.00 C ATOM 275 O GLN A 20 -6.384 4.817 11.875 1.00 0.00 O ATOM 276 CB GLN A 20 -4.761 1.951 11.263 1.00 0.00 C ATOM 277 CG GLN A 20 -4.652 0.493 11.678 1.00 0.00 C ATOM 278 CD GLN A 20 -3.242 0.101 12.073 1.00 0.00 C ATOM 279 OE1 GLN A 20 -2.267 0.659 11.570 1.00 0.00 O ATOM 280 NE2 GLN A 20 -3.127 -0.863 12.979 1.00 0.00 N ATOM 0 H GLN A 20 -6.555 1.032 9.846 1.00 0.00 H new ATOM 0 HA GLN A 20 -6.596 2.355 12.306 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -4.368 2.063 10.253 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -4.133 2.554 11.918 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -5.325 0.307 12.515 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -4.984 -0.140 10.855 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -3.963 -1.298 13.370 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -2.203 -1.168 13.284 1.00 0.00 H new ATOM 289 N GLN A 21 -5.965 4.319 9.721 1.00 0.00 N ATOM 290 CA GLN A 21 -5.937 5.712 9.291 1.00 0.00 C ATOM 291 C GLN A 21 -7.228 6.427 9.675 1.00 0.00 C ATOM 292 O GLN A 21 -7.200 7.516 10.248 1.00 0.00 O ATOM 293 CB GLN A 21 -5.724 5.795 7.778 1.00 0.00 C ATOM 294 CG GLN A 21 -4.420 5.169 7.311 1.00 0.00 C ATOM 295 CD GLN A 21 -3.203 5.830 7.927 1.00 0.00 C ATOM 296 OE1 GLN A 21 -2.773 6.898 7.489 1.00 0.00 O ATOM 297 NE2 GLN A 21 -2.638 5.196 8.948 1.00 0.00 N ATOM 0 H GLN A 21 -5.801 3.643 8.975 1.00 0.00 H new ATOM 0 HA GLN A 21 -5.107 6.206 9.796 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -6.555 5.301 7.275 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -5.744 6.841 7.474 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -4.420 4.109 7.563 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -4.356 5.239 6.225 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -3.027 4.313 9.279 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -1.815 5.592 9.402 1.00 0.00 H new ATOM 306 N THR A 22 -8.360 5.807 9.356 1.00 0.00 N ATOM 307 CA THR A 22 -9.661 6.384 9.666 1.00 0.00 C ATOM 308 C THR A 22 -10.097 6.027 11.083 1.00 0.00 C ATOM 309 O THR A 22 -11.285 5.841 11.347 1.00 0.00 O ATOM 310 CB THR A 22 -10.739 5.908 8.674 1.00 0.00 C ATOM 311 OG1 THR A 22 -10.851 4.481 8.721 1.00 0.00 O ATOM 312 CG2 THR A 22 -10.402 6.348 7.257 1.00 0.00 C ATOM 0 H THR A 22 -8.401 4.904 8.883 1.00 0.00 H new ATOM 0 HA THR A 22 -9.554 7.466 9.583 1.00 0.00 H new ATOM 0 HB THR A 22 -11.690 6.357 8.961 1.00 0.00 H new ATOM 0 HG1 THR A 22 -11.762 4.233 8.984 1.00 0.00 H new ATOM 0 HG21 THR A 22 -11.177 6.001 6.574 1.00 0.00 H new ATOM 0 HG22 THR A 22 -10.345 7.436 7.218 1.00 0.00 H new ATOM 0 HG23 THR A 22 -9.442 5.923 6.963 1.00 0.00 H new ATOM 320 N GLU A 23 -9.130 5.934 11.989 1.00 0.00 N ATOM 321 CA GLU A 23 -9.416 5.599 13.379 1.00 0.00 C ATOM 322 C GLU A 23 -9.834 6.840 14.163 1.00 0.00 C ATOM 323 O GLU A 23 -9.239 7.907 14.021 1.00 0.00 O ATOM 324 CB GLU A 23 -8.191 4.958 14.035 1.00 0.00 C ATOM 325 CG GLU A 23 -8.428 4.523 15.472 1.00 0.00 C ATOM 326 CD GLU A 23 -9.738 3.781 15.648 1.00 0.00 C ATOM 327 OE1 GLU A 23 -9.877 2.677 15.081 1.00 0.00 O ATOM 328 OE2 GLU A 23 -10.625 4.304 16.355 1.00 0.00 O ATOM 0 H GLU A 23 -8.142 6.086 11.786 1.00 0.00 H new ATOM 0 HA GLU A 23 -10.241 4.887 13.391 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -7.886 4.092 13.448 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -7.363 5.667 14.011 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -7.606 3.883 15.794 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -8.422 5.400 16.119 1.00 0.00 H new ATOM 335 N GLY A 24 -10.864 6.690 14.991 1.00 0.00 N ATOM 336 CA GLY A 24 -11.346 7.806 15.784 1.00 0.00 C ATOM 337 C GLY A 24 -12.419 8.605 15.071 1.00 0.00 C ATOM 338 O GLY A 24 -13.407 9.015 15.680 1.00 0.00 O ATOM 0 H GLY A 24 -11.373 5.816 15.127 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -11.743 7.432 16.728 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -10.510 8.462 16.027 1.00 0.00 H new ATOM 342 N TYR A 25 -12.224 8.828 13.776 1.00 0.00 N ATOM 343 CA TYR A 25 -13.181 9.587 12.979 1.00 0.00 C ATOM 344 C TYR A 25 -14.611 9.291 13.417 1.00 0.00 C ATOM 345 O TYR A 25 -14.980 8.136 13.630 1.00 0.00 O ATOM 346 CB TYR A 25 -13.012 9.261 11.494 1.00 0.00 C ATOM 347 CG TYR A 25 -11.958 10.098 10.806 1.00 0.00 C ATOM 348 CD1 TYR A 25 -10.620 9.725 10.832 1.00 0.00 C ATOM 349 CD2 TYR A 25 -12.300 11.261 10.127 1.00 0.00 C ATOM 350 CE1 TYR A 25 -9.653 10.487 10.206 1.00 0.00 C ATOM 351 CE2 TYR A 25 -11.341 12.029 9.496 1.00 0.00 C ATOM 352 CZ TYR A 25 -10.019 11.638 9.539 1.00 0.00 C ATOM 353 OH TYR A 25 -9.059 12.399 8.912 1.00 0.00 O ATOM 0 H TYR A 25 -11.412 8.494 13.256 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.985 10.648 13.136 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -12.753 8.208 11.389 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -13.966 9.406 10.988 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -10.331 8.823 11.351 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -13.334 11.570 10.092 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -8.617 10.184 10.238 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -11.624 12.930 8.972 1.00 0.00 H new ATOM 0 HH TYR A 25 -8.578 11.847 8.261 1.00 0.00 H new ATOM 363 N GLN A 26 -15.413 10.343 13.550 1.00 0.00 N ATOM 364 CA GLN A 26 -16.804 10.196 13.963 1.00 0.00 C ATOM 365 C GLN A 26 -17.689 9.837 12.774 1.00 0.00 C ATOM 366 O GLN A 26 -17.465 10.303 11.656 1.00 0.00 O ATOM 367 CB GLN A 26 -17.303 11.487 14.615 1.00 0.00 C ATOM 368 CG GLN A 26 -16.808 11.679 16.039 1.00 0.00 C ATOM 369 CD GLN A 26 -16.906 13.119 16.502 1.00 0.00 C ATOM 370 OE1 GLN A 26 -17.633 13.433 17.445 1.00 0.00 O ATOM 371 NE2 GLN A 26 -16.173 14.005 15.838 1.00 0.00 N ATOM 0 H GLN A 26 -15.124 11.306 13.378 1.00 0.00 H new ATOM 0 HA GLN A 26 -16.858 9.386 14.690 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -16.984 12.336 14.011 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -18.393 11.487 14.615 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -17.388 11.045 16.710 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -15.771 11.349 16.107 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -15.584 13.701 15.063 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -16.199 14.990 16.103 1.00 0.00 H new ATOM 380 N HIS A 27 -18.697 9.006 13.022 1.00 0.00 N ATOM 381 CA HIS A 27 -19.617 8.585 11.972 1.00 0.00 C ATOM 382 C HIS A 27 -18.866 7.896 10.836 1.00 0.00 C ATOM 383 O HIS A 27 -19.328 7.878 9.695 1.00 0.00 O ATOM 384 CB HIS A 27 -20.392 9.787 11.432 1.00 0.00 C ATOM 385 CG HIS A 27 -21.430 10.305 12.379 1.00 0.00 C ATOM 386 ND1 HIS A 27 -22.726 9.836 12.406 1.00 0.00 N ATOM 387 CD2 HIS A 27 -21.356 11.258 13.338 1.00 0.00 C ATOM 388 CE1 HIS A 27 -23.405 10.478 13.340 1.00 0.00 C ATOM 389 NE2 HIS A 27 -22.597 11.346 13.921 1.00 0.00 N ATOM 0 H HIS A 27 -18.897 8.611 13.941 1.00 0.00 H new ATOM 0 HA HIS A 27 -20.321 7.873 12.403 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -19.690 10.588 11.202 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -20.874 9.507 10.495 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -20.484 11.840 13.596 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -24.445 10.320 13.587 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -22.853 11.979 14.679 1.00 0.00 H new ATOM 398 N VAL A 28 -17.707 7.331 11.157 1.00 0.00 N ATOM 399 CA VAL A 28 -16.892 6.641 10.163 1.00 0.00 C ATOM 400 C VAL A 28 -16.569 5.219 10.609 1.00 0.00 C ATOM 401 O VAL A 28 -15.676 5.002 11.426 1.00 0.00 O ATOM 402 CB VAL A 28 -15.576 7.395 9.895 1.00 0.00 C ATOM 403 CG1 VAL A 28 -14.635 6.543 9.057 1.00 0.00 C ATOM 404 CG2 VAL A 28 -15.854 8.726 9.213 1.00 0.00 C ATOM 0 H VAL A 28 -17.311 7.337 12.097 1.00 0.00 H new ATOM 0 HA VAL A 28 -17.476 6.607 9.243 1.00 0.00 H new ATOM 0 HB VAL A 28 -15.092 7.597 10.850 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -13.710 7.091 8.877 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -14.411 5.618 9.589 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -15.109 6.308 8.104 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -14.913 9.245 9.031 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -16.360 8.550 8.264 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -16.488 9.338 9.854 1.00 0.00 H new ATOM 414 N ASN A 29 -17.303 4.254 10.066 1.00 0.00 N ATOM 415 CA ASN A 29 -17.095 2.851 10.408 1.00 0.00 C ATOM 416 C ASN A 29 -16.694 2.045 9.176 1.00 0.00 C ATOM 417 O ASN A 29 -17.545 1.512 8.465 1.00 0.00 O ATOM 418 CB ASN A 29 -18.365 2.261 11.026 1.00 0.00 C ATOM 419 CG ASN A 29 -19.533 2.265 10.059 1.00 0.00 C ATOM 420 OD1 ASN A 29 -20.092 3.317 9.747 1.00 0.00 O ATOM 421 ND2 ASN A 29 -19.909 1.084 9.581 1.00 0.00 N ATOM 0 H ASN A 29 -18.047 4.417 9.388 1.00 0.00 H new ATOM 0 HA ASN A 29 -16.286 2.796 11.136 1.00 0.00 H new ATOM 0 HB2 ASN A 29 -18.168 1.239 11.349 1.00 0.00 H new ATOM 0 HB3 ASN A 29 -18.632 2.831 11.916 1.00 0.00 H new ATOM 0 HD21 ASN A 29 -20.690 1.023 8.928 1.00 0.00 H new ATOM 0 HD22 ASN A 29 -19.417 0.238 9.867 1.00 0.00 H new ATOM 428 N VAL A 30 -15.390 1.959 8.931 1.00 0.00 N ATOM 429 CA VAL A 30 -14.874 1.216 7.787 1.00 0.00 C ATOM 430 C VAL A 30 -14.909 -0.286 8.046 1.00 0.00 C ATOM 431 O VAL A 30 -14.330 -0.773 9.018 1.00 0.00 O ATOM 432 CB VAL A 30 -13.431 1.635 7.451 1.00 0.00 C ATOM 433 CG1 VAL A 30 -12.861 0.752 6.351 1.00 0.00 C ATOM 434 CG2 VAL A 30 -13.382 3.101 7.047 1.00 0.00 C ATOM 0 H VAL A 30 -14.672 2.395 9.509 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.519 1.450 6.940 1.00 0.00 H new ATOM 0 HB VAL A 30 -12.817 1.506 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -11.841 1.063 6.127 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -12.859 -0.286 6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -13.474 0.846 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -12.355 3.380 6.813 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -14.009 3.258 6.169 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -13.747 3.717 7.869 1.00 0.00 H new ATOM 444 N THR A 31 -15.591 -1.016 7.170 1.00 0.00 N ATOM 445 CA THR A 31 -15.702 -2.463 7.303 1.00 0.00 C ATOM 446 C THR A 31 -15.386 -3.163 5.986 1.00 0.00 C ATOM 447 O THR A 31 -14.858 -4.275 5.974 1.00 0.00 O ATOM 448 CB THR A 31 -17.111 -2.878 7.767 1.00 0.00 C ATOM 449 OG1 THR A 31 -17.190 -4.304 7.879 1.00 0.00 O ATOM 450 CG2 THR A 31 -18.169 -2.382 6.793 1.00 0.00 C ATOM 0 H THR A 31 -16.075 -0.629 6.360 1.00 0.00 H new ATOM 0 HA THR A 31 -14.975 -2.767 8.056 1.00 0.00 H new ATOM 0 HB THR A 31 -17.296 -2.426 8.742 1.00 0.00 H new ATOM 0 HG1 THR A 31 -18.088 -4.560 8.176 1.00 0.00 H new ATOM 0 HG21 THR A 31 -19.156 -2.687 7.141 1.00 0.00 H new ATOM 0 HG22 THR A 31 -18.126 -1.295 6.732 1.00 0.00 H new ATOM 0 HG23 THR A 31 -17.984 -2.809 5.807 1.00 0.00 H new ATOM 458 N ASP A 32 -15.712 -2.504 4.879 1.00 0.00 N ATOM 459 CA ASP A 32 -15.461 -3.063 3.556 1.00 0.00 C ATOM 460 C ASP A 32 -14.828 -2.022 2.638 1.00 0.00 C ATOM 461 O ASP A 32 -14.514 -0.910 3.066 1.00 0.00 O ATOM 462 CB ASP A 32 -16.763 -3.579 2.942 1.00 0.00 C ATOM 463 CG ASP A 32 -17.958 -2.723 3.312 1.00 0.00 C ATOM 464 OD1 ASP A 32 -17.897 -1.494 3.095 1.00 0.00 O ATOM 465 OD2 ASP A 32 -18.953 -3.280 3.820 1.00 0.00 O ATOM 0 H ASP A 32 -16.150 -1.583 4.872 1.00 0.00 H new ATOM 0 HA ASP A 32 -14.766 -3.895 3.666 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -16.663 -3.608 1.857 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.937 -4.603 3.274 1.00 0.00 H new ATOM 470 N LEU A 33 -14.644 -2.389 1.374 1.00 0.00 N ATOM 471 CA LEU A 33 -14.048 -1.487 0.395 1.00 0.00 C ATOM 472 C LEU A 33 -15.011 -1.222 -0.759 1.00 0.00 C ATOM 473 O LEU A 33 -14.591 -1.035 -1.901 1.00 0.00 O ATOM 474 CB LEU A 33 -12.742 -2.075 -0.141 1.00 0.00 C ATOM 475 CG LEU A 33 -11.765 -2.606 0.909 1.00 0.00 C ATOM 476 CD1 LEU A 33 -10.754 -3.546 0.271 1.00 0.00 C ATOM 477 CD2 LEU A 33 -11.057 -1.456 1.610 1.00 0.00 C ATOM 0 H LEU A 33 -14.899 -3.305 1.004 1.00 0.00 H new ATOM 0 HA LEU A 33 -13.836 -0.540 0.892 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -12.986 -2.888 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -12.234 -1.308 -0.726 1.00 0.00 H new ATOM 0 HG LEU A 33 -12.332 -3.165 1.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -10.067 -3.914 1.034 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -11.276 -4.388 -0.183 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -10.193 -3.011 -0.495 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -10.366 -1.853 2.354 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -10.503 -0.869 0.877 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.794 -0.821 2.102 1.00 0.00 H new ATOM 489 N THR A 34 -16.304 -1.207 -0.452 1.00 0.00 N ATOM 490 CA THR A 34 -17.326 -0.965 -1.462 1.00 0.00 C ATOM 491 C THR A 34 -18.276 0.146 -1.028 1.00 0.00 C ATOM 492 O THR A 34 -18.426 1.154 -1.719 1.00 0.00 O ATOM 493 CB THR A 34 -18.143 -2.238 -1.751 1.00 0.00 C ATOM 494 OG1 THR A 34 -18.646 -2.786 -0.528 1.00 0.00 O ATOM 495 CG2 THR A 34 -17.291 -3.277 -2.466 1.00 0.00 C ATOM 0 H THR A 34 -16.668 -1.360 0.488 1.00 0.00 H new ATOM 0 HA THR A 34 -16.806 -0.661 -2.371 1.00 0.00 H new ATOM 0 HB THR A 34 -18.978 -1.968 -2.398 1.00 0.00 H new ATOM 0 HG1 THR A 34 -19.166 -3.594 -0.721 1.00 0.00 H new ATOM 0 HG21 THR A 34 -17.889 -4.167 -2.660 1.00 0.00 H new ATOM 0 HG22 THR A 34 -16.934 -2.867 -3.411 1.00 0.00 H new ATOM 0 HG23 THR A 34 -16.439 -3.542 -1.840 1.00 0.00 H new ATOM 503 N THR A 35 -18.915 -0.043 0.122 1.00 0.00 N ATOM 504 CA THR A 35 -19.850 0.943 0.648 1.00 0.00 C ATOM 505 C THR A 35 -19.126 2.008 1.463 1.00 0.00 C ATOM 506 O THR A 35 -19.419 3.198 1.348 1.00 0.00 O ATOM 507 CB THR A 35 -20.927 0.282 1.529 1.00 0.00 C ATOM 508 OG1 THR A 35 -20.315 -0.350 2.659 1.00 0.00 O ATOM 509 CG2 THR A 35 -21.720 -0.745 0.735 1.00 0.00 C ATOM 0 H THR A 35 -18.802 -0.871 0.707 1.00 0.00 H new ATOM 0 HA THR A 35 -20.331 1.412 -0.211 1.00 0.00 H new ATOM 0 HB THR A 35 -21.610 1.058 1.873 1.00 0.00 H new ATOM 0 HG1 THR A 35 -19.424 -0.672 2.410 1.00 0.00 H new ATOM 0 HG21 THR A 35 -22.474 -1.198 1.378 1.00 0.00 H new ATOM 0 HG22 THR A 35 -22.208 -0.255 -0.108 1.00 0.00 H new ATOM 0 HG23 THR A 35 -21.046 -1.518 0.365 1.00 0.00 H new ATOM 517 N SER A 36 -18.178 1.572 2.287 1.00 0.00 N ATOM 518 CA SER A 36 -17.414 2.489 3.125 1.00 0.00 C ATOM 519 C SER A 36 -16.809 3.612 2.289 1.00 0.00 C ATOM 520 O SER A 36 -16.656 4.739 2.761 1.00 0.00 O ATOM 521 CB SER A 36 -16.306 1.735 3.864 1.00 0.00 C ATOM 522 OG SER A 36 -16.812 1.091 5.020 1.00 0.00 O ATOM 0 H SER A 36 -17.921 0.591 2.392 1.00 0.00 H new ATOM 0 HA SER A 36 -18.094 2.928 3.855 1.00 0.00 H new ATOM 0 HB2 SER A 36 -15.858 0.997 3.199 1.00 0.00 H new ATOM 0 HB3 SER A 36 -15.515 2.430 4.147 1.00 0.00 H new ATOM 0 HG SER A 36 -17.111 0.187 4.787 1.00 0.00 H new ATOM 528 N TRP A 37 -16.466 3.297 1.045 1.00 0.00 N ATOM 529 CA TRP A 37 -15.877 4.279 0.142 1.00 0.00 C ATOM 530 C TRP A 37 -16.856 4.656 -0.965 1.00 0.00 C ATOM 531 O TRP A 37 -16.452 4.937 -2.094 1.00 0.00 O ATOM 532 CB TRP A 37 -14.585 3.733 -0.466 1.00 0.00 C ATOM 533 CG TRP A 37 -13.729 2.997 0.519 1.00 0.00 C ATOM 534 CD1 TRP A 37 -14.039 1.836 1.169 1.00 0.00 C ATOM 535 CD2 TRP A 37 -12.422 3.373 0.969 1.00 0.00 C ATOM 536 NE1 TRP A 37 -13.005 1.468 1.995 1.00 0.00 N ATOM 537 CE2 TRP A 37 -12.001 2.394 1.890 1.00 0.00 C ATOM 538 CE3 TRP A 37 -11.567 4.440 0.681 1.00 0.00 C ATOM 539 CZ2 TRP A 37 -10.763 2.454 2.524 1.00 0.00 C ATOM 540 CZ3 TRP A 37 -10.339 4.498 1.312 1.00 0.00 C ATOM 541 CH2 TRP A 37 -9.946 3.509 2.224 1.00 0.00 C ATOM 0 H TRP A 37 -16.586 2.369 0.639 1.00 0.00 H new ATOM 0 HA TRP A 37 -15.647 5.175 0.719 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -14.834 3.065 -1.290 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -14.013 4.559 -0.887 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -14.962 1.288 1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -12.988 0.640 2.590 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -11.861 5.205 -0.022 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 -10.458 1.694 3.228 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -9.671 5.319 1.099 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -8.979 3.581 2.699 1.00 0.00 H new ATOM 552 N ARG A 38 -18.143 4.660 -0.635 1.00 0.00 N ATOM 553 CA ARG A 38 -19.179 5.001 -1.603 1.00 0.00 C ATOM 554 C ARG A 38 -19.416 6.508 -1.636 1.00 0.00 C ATOM 555 O ARG A 38 -19.627 7.090 -2.700 1.00 0.00 O ATOM 556 CB ARG A 38 -20.482 4.276 -1.264 1.00 0.00 C ATOM 557 CG ARG A 38 -21.283 4.947 -0.161 1.00 0.00 C ATOM 558 CD ARG A 38 -22.604 4.233 0.082 1.00 0.00 C ATOM 559 NE ARG A 38 -23.491 5.002 0.950 1.00 0.00 N ATOM 560 CZ ARG A 38 -23.422 4.981 2.276 1.00 0.00 C ATOM 561 NH1 ARG A 38 -22.512 4.232 2.884 1.00 0.00 N ATOM 562 NH2 ARG A 38 -24.265 5.709 2.998 1.00 0.00 N ATOM 0 H ARG A 38 -18.494 4.431 0.295 1.00 0.00 H new ATOM 0 HA ARG A 38 -18.840 4.682 -2.589 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -21.097 4.214 -2.162 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -20.252 3.254 -0.964 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -20.699 4.957 0.759 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -21.474 5.986 -0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -23.099 4.052 -0.872 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -22.412 3.259 0.532 1.00 0.00 H new ATOM 0 HE ARG A 38 -24.203 5.588 0.514 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -21.863 3.670 2.333 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -22.461 4.218 3.903 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -24.967 6.286 2.534 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -24.211 5.692 4.016 1.00 0.00 H new ATOM 576 N SER A 39 -19.382 7.133 -0.463 1.00 0.00 N ATOM 577 CA SER A 39 -19.598 8.571 -0.357 1.00 0.00 C ATOM 578 C SER A 39 -18.287 9.332 -0.535 1.00 0.00 C ATOM 579 O SER A 39 -18.249 10.387 -1.168 1.00 0.00 O ATOM 580 CB SER A 39 -20.221 8.917 0.997 1.00 0.00 C ATOM 581 OG SER A 39 -20.436 10.312 1.118 1.00 0.00 O ATOM 0 H SER A 39 -19.207 6.666 0.427 1.00 0.00 H new ATOM 0 HA SER A 39 -20.283 8.870 -1.151 1.00 0.00 H new ATOM 0 HB2 SER A 39 -21.168 8.389 1.111 1.00 0.00 H new ATOM 0 HB3 SER A 39 -19.567 8.576 1.800 1.00 0.00 H new ATOM 0 HG SER A 39 -20.836 10.507 1.991 1.00 0.00 H new ATOM 587 N GLY A 40 -17.213 8.788 0.029 1.00 0.00 N ATOM 588 CA GLY A 40 -15.915 9.428 -0.078 1.00 0.00 C ATOM 589 C GLY A 40 -15.281 9.683 1.276 1.00 0.00 C ATOM 590 O GLY A 40 -14.063 9.580 1.429 1.00 0.00 O ATOM 0 H GLY A 40 -17.219 7.916 0.558 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -15.252 8.801 -0.674 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -16.022 10.374 -0.610 1.00 0.00 H new ATOM 594 N LEU A 41 -16.108 10.020 2.260 1.00 0.00 N ATOM 595 CA LEU A 41 -15.621 10.293 3.608 1.00 0.00 C ATOM 596 C LEU A 41 -14.450 9.381 3.959 1.00 0.00 C ATOM 597 O LEU A 41 -13.417 9.840 4.446 1.00 0.00 O ATOM 598 CB LEU A 41 -16.748 10.108 4.625 1.00 0.00 C ATOM 599 CG LEU A 41 -17.931 11.070 4.498 1.00 0.00 C ATOM 600 CD1 LEU A 41 -19.057 10.657 5.433 1.00 0.00 C ATOM 601 CD2 LEU A 41 -17.491 12.497 4.787 1.00 0.00 C ATOM 0 H LEU A 41 -17.118 10.111 2.150 1.00 0.00 H new ATOM 0 HA LEU A 41 -15.275 11.326 3.641 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -17.124 9.088 4.540 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.328 10.210 5.626 1.00 0.00 H new ATOM 0 HG LEU A 41 -18.302 11.026 3.474 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -19.890 11.353 5.329 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -19.391 9.651 5.179 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -18.699 10.671 6.462 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -18.345 13.167 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -17.093 12.557 5.800 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -16.719 12.791 4.076 1.00 0.00 H new ATOM 613 N ALA A 42 -14.617 8.087 3.706 1.00 0.00 N ATOM 614 CA ALA A 42 -13.572 7.111 3.991 1.00 0.00 C ATOM 615 C ALA A 42 -12.210 7.613 3.525 1.00 0.00 C ATOM 616 O ALA A 42 -11.306 7.829 4.334 1.00 0.00 O ATOM 617 CB ALA A 42 -13.900 5.779 3.333 1.00 0.00 C ATOM 0 H ALA A 42 -15.466 7.690 3.304 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.527 6.969 5.071 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -13.111 5.060 3.554 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.849 5.407 3.719 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.975 5.915 2.254 1.00 0.00 H new ATOM 623 N LEU A 43 -12.069 7.797 2.217 1.00 0.00 N ATOM 624 CA LEU A 43 -10.816 8.274 1.642 1.00 0.00 C ATOM 625 C LEU A 43 -10.467 9.662 2.170 1.00 0.00 C ATOM 626 O LEU A 43 -9.383 9.876 2.714 1.00 0.00 O ATOM 627 CB LEU A 43 -10.911 8.306 0.116 1.00 0.00 C ATOM 628 CG LEU A 43 -9.626 8.668 -0.630 1.00 0.00 C ATOM 629 CD1 LEU A 43 -8.531 7.657 -0.329 1.00 0.00 C ATOM 630 CD2 LEU A 43 -9.883 8.749 -2.127 1.00 0.00 C ATOM 0 H LEU A 43 -12.807 7.623 1.534 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.025 7.584 1.936 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -11.243 7.326 -0.228 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -11.684 9.021 -0.165 1.00 0.00 H new ATOM 0 HG LEU A 43 -9.293 9.647 -0.286 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.624 7.931 -0.869 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -8.328 7.649 0.742 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.855 6.665 -0.644 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -8.958 9.008 -2.642 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.241 7.785 -2.487 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.635 9.513 -2.326 1.00 0.00 H new ATOM 642 N CYS A 44 -11.394 10.600 2.009 1.00 0.00 N ATOM 643 CA CYS A 44 -11.186 11.968 2.471 1.00 0.00 C ATOM 644 C CYS A 44 -10.558 11.983 3.861 1.00 0.00 C ATOM 645 O CYS A 44 -9.754 12.858 4.181 1.00 0.00 O ATOM 646 CB CYS A 44 -12.511 12.730 2.488 1.00 0.00 C ATOM 647 SG CYS A 44 -13.151 13.137 0.847 1.00 0.00 S ATOM 0 H CYS A 44 -12.297 10.438 1.562 1.00 0.00 H new ATOM 0 HA CYS A 44 -10.502 12.459 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -13.254 12.134 3.018 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -12.380 13.652 3.054 1.00 0.00 H new ATOM 0 HG CYS A 44 -14.357 13.611 0.957 1.00 0.00 H new ATOM 653 N ALA A 45 -10.933 11.008 4.684 1.00 0.00 N ATOM 654 CA ALA A 45 -10.407 10.909 6.040 1.00 0.00 C ATOM 655 C ALA A 45 -8.896 10.701 6.029 1.00 0.00 C ATOM 656 O ALA A 45 -8.160 11.393 6.733 1.00 0.00 O ATOM 657 CB ALA A 45 -11.092 9.777 6.790 1.00 0.00 C ATOM 0 H ALA A 45 -11.599 10.276 4.435 1.00 0.00 H new ATOM 0 HA ALA A 45 -10.614 11.848 6.553 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -10.690 9.714 7.801 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -12.164 9.968 6.837 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -10.914 8.836 6.270 1.00 0.00 H new ATOM 663 N ILE A 46 -8.441 9.745 5.226 1.00 0.00 N ATOM 664 CA ILE A 46 -7.018 9.447 5.124 1.00 0.00 C ATOM 665 C ILE A 46 -6.227 10.680 4.701 1.00 0.00 C ATOM 666 O ILE A 46 -5.283 11.087 5.379 1.00 0.00 O ATOM 667 CB ILE A 46 -6.752 8.310 4.120 1.00 0.00 C ATOM 668 CG1 ILE A 46 -7.446 7.024 4.575 1.00 0.00 C ATOM 669 CG2 ILE A 46 -5.256 8.082 3.962 1.00 0.00 C ATOM 670 CD1 ILE A 46 -7.616 6.005 3.470 1.00 0.00 C ATOM 0 H ILE A 46 -9.037 9.164 4.637 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.690 9.130 6.114 1.00 0.00 H new ATOM 0 HB ILE A 46 -7.161 8.598 3.152 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -6.870 6.577 5.385 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.426 7.274 4.981 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -5.084 7.275 3.249 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -4.785 8.995 3.597 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.825 7.812 4.926 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -8.115 5.120 3.865 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.218 6.434 2.669 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -6.638 5.726 3.079 1.00 0.00 H new ATOM 682 N ILE A 47 -6.620 11.270 3.577 1.00 0.00 N ATOM 683 CA ILE A 47 -5.949 12.459 3.065 1.00 0.00 C ATOM 684 C ILE A 47 -5.928 13.571 4.108 1.00 0.00 C ATOM 685 O ILE A 47 -4.863 14.010 4.542 1.00 0.00 O ATOM 686 CB ILE A 47 -6.630 12.982 1.786 1.00 0.00 C ATOM 687 CG1 ILE A 47 -6.596 11.915 0.690 1.00 0.00 C ATOM 688 CG2 ILE A 47 -5.953 14.259 1.311 1.00 0.00 C ATOM 689 CD1 ILE A 47 -7.515 12.214 -0.473 1.00 0.00 C ATOM 0 H ILE A 47 -7.399 10.945 3.004 1.00 0.00 H new ATOM 0 HA ILE A 47 -4.926 12.167 2.829 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.672 13.208 2.013 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -5.575 11.818 0.320 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -6.871 10.953 1.122 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -6.445 14.617 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -6.025 15.020 2.088 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -4.903 14.057 1.097 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -7.439 11.416 -1.211 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -8.543 12.282 -0.116 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -7.227 13.160 -0.931 1.00 0.00 H new ATOM 701 N HIS A 48 -7.113 14.021 4.508 1.00 0.00 N ATOM 702 CA HIS A 48 -7.231 15.081 5.503 1.00 0.00 C ATOM 703 C HIS A 48 -6.177 14.922 6.594 1.00 0.00 C ATOM 704 O HIS A 48 -5.472 15.873 6.934 1.00 0.00 O ATOM 705 CB HIS A 48 -8.629 15.074 6.123 1.00 0.00 C ATOM 706 CG HIS A 48 -8.717 15.833 7.411 1.00 0.00 C ATOM 707 ND1 HIS A 48 -8.698 15.223 8.648 1.00 0.00 N ATOM 708 CD2 HIS A 48 -8.822 17.161 7.651 1.00 0.00 C ATOM 709 CE1 HIS A 48 -8.790 16.142 9.592 1.00 0.00 C ATOM 710 NE2 HIS A 48 -8.867 17.327 9.013 1.00 0.00 N ATOM 0 H HIS A 48 -8.004 13.669 4.159 1.00 0.00 H new ATOM 0 HA HIS A 48 -7.069 16.035 5.002 1.00 0.00 H new ATOM 0 HB2 HIS A 48 -9.335 15.500 5.411 1.00 0.00 H new ATOM 0 HB3 HIS A 48 -8.935 14.042 6.297 1.00 0.00 H new ATOM 0 HD1 HIS A 48 -8.624 14.218 8.809 1.00 0.00 H new ATOM 0 HD2 HIS A 48 -8.863 17.945 6.909 1.00 0.00 H new ATOM 0 HE1 HIS A 48 -8.800 15.956 10.656 1.00 0.00 H new ATOM 719 N ARG A 49 -6.075 13.715 7.141 1.00 0.00 N ATOM 720 CA ARG A 49 -5.108 13.432 8.195 1.00 0.00 C ATOM 721 C ARG A 49 -3.740 14.009 7.846 1.00 0.00 C ATOM 722 O ARG A 49 -3.177 14.800 8.603 1.00 0.00 O ATOM 723 CB ARG A 49 -4.995 11.923 8.420 1.00 0.00 C ATOM 724 CG ARG A 49 -4.309 11.553 9.725 1.00 0.00 C ATOM 725 CD ARG A 49 -5.196 11.847 10.924 1.00 0.00 C ATOM 726 NE ARG A 49 -4.769 11.116 12.114 1.00 0.00 N ATOM 727 CZ ARG A 49 -4.813 9.792 12.219 1.00 0.00 C ATOM 728 NH1 ARG A 49 -5.263 9.059 11.210 1.00 0.00 N ATOM 729 NH2 ARG A 49 -4.406 9.200 13.335 1.00 0.00 N ATOM 0 H ARG A 49 -6.650 12.917 6.872 1.00 0.00 H new ATOM 0 HA ARG A 49 -5.459 13.904 9.113 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -5.994 11.486 8.407 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.443 11.481 7.591 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.050 10.494 9.714 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.376 12.108 9.817 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -5.182 12.917 11.132 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -6.226 11.582 10.686 1.00 0.00 H new ATOM 0 HE ARG A 49 -4.418 11.651 12.908 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -5.576 9.511 10.351 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -5.296 8.043 11.293 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -4.059 9.761 14.113 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -4.440 8.184 13.415 1.00 0.00 H new ATOM 743 N PHE A 50 -3.210 13.608 6.695 1.00 0.00 N ATOM 744 CA PHE A 50 -1.906 14.084 6.247 1.00 0.00 C ATOM 745 C PHE A 50 -1.965 15.564 5.879 1.00 0.00 C ATOM 746 O PHE A 50 -1.192 16.373 6.393 1.00 0.00 O ATOM 747 CB PHE A 50 -1.427 13.267 5.045 1.00 0.00 C ATOM 748 CG PHE A 50 -0.991 11.875 5.402 1.00 0.00 C ATOM 749 CD1 PHE A 50 -1.927 10.886 5.658 1.00 0.00 C ATOM 750 CD2 PHE A 50 0.355 11.556 5.482 1.00 0.00 C ATOM 751 CE1 PHE A 50 -1.529 9.604 5.987 1.00 0.00 C ATOM 752 CE2 PHE A 50 0.759 10.275 5.810 1.00 0.00 C ATOM 753 CZ PHE A 50 -0.184 9.298 6.064 1.00 0.00 C ATOM 0 H PHE A 50 -3.663 12.955 6.056 1.00 0.00 H new ATOM 0 HA PHE A 50 -1.199 13.959 7.067 1.00 0.00 H new ATOM 0 HB2 PHE A 50 -2.231 13.210 4.311 1.00 0.00 H new ATOM 0 HB3 PHE A 50 -0.597 13.788 4.569 1.00 0.00 H new ATOM 0 HD1 PHE A 50 -2.980 11.120 5.600 1.00 0.00 H new ATOM 0 HD2 PHE A 50 1.097 12.316 5.286 1.00 0.00 H new ATOM 0 HE1 PHE A 50 -2.269 8.842 6.184 1.00 0.00 H new ATOM 0 HE2 PHE A 50 1.811 10.038 5.868 1.00 0.00 H new ATOM 0 HZ PHE A 50 0.129 8.297 6.322 1.00 0.00 H new ATOM 763 N ARG A 51 -2.887 15.910 4.987 1.00 0.00 N ATOM 764 CA ARG A 51 -3.046 17.291 4.548 1.00 0.00 C ATOM 765 C ARG A 51 -4.488 17.756 4.727 1.00 0.00 C ATOM 766 O ARG A 51 -5.323 17.628 3.831 1.00 0.00 O ATOM 767 CB ARG A 51 -2.630 17.435 3.083 1.00 0.00 C ATOM 768 CG ARG A 51 -1.124 17.490 2.880 1.00 0.00 C ATOM 769 CD ARG A 51 -0.553 18.832 3.309 1.00 0.00 C ATOM 770 NE ARG A 51 -0.590 19.814 2.228 1.00 0.00 N ATOM 771 CZ ARG A 51 -0.001 21.003 2.294 1.00 0.00 C ATOM 772 NH1 ARG A 51 0.666 21.356 3.384 1.00 0.00 N ATOM 773 NH2 ARG A 51 -0.079 21.841 1.269 1.00 0.00 N ATOM 0 H ARG A 51 -3.536 15.253 4.554 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.401 17.918 5.164 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.034 16.597 2.515 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -3.077 18.342 2.675 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.649 16.692 3.451 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -0.891 17.313 1.830 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.117 19.210 4.162 1.00 0.00 H new ATOM 0 HD3 ARG A 51 0.476 18.698 3.642 1.00 0.00 H new ATOM 0 HE ARG A 51 -1.096 19.574 1.376 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.728 20.714 4.174 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.117 22.269 3.432 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.592 21.573 0.429 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.374 22.754 1.321 1.00 0.00 H new ATOM 787 N PRO A 52 -4.790 18.308 5.911 1.00 0.00 N ATOM 788 CA PRO A 52 -6.131 18.803 6.235 1.00 0.00 C ATOM 789 C PRO A 52 -6.492 20.057 5.447 1.00 0.00 C ATOM 790 O PRO A 52 -7.624 20.536 5.511 1.00 0.00 O ATOM 791 CB PRO A 52 -6.042 19.117 7.730 1.00 0.00 C ATOM 792 CG PRO A 52 -4.597 19.383 7.976 1.00 0.00 C ATOM 793 CD PRO A 52 -3.845 18.493 7.025 1.00 0.00 C ATOM 0 HA PRO A 52 -6.905 18.078 5.984 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -6.653 19.981 7.990 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -6.399 18.281 8.332 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -4.358 20.432 7.801 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -4.330 19.164 9.010 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -2.916 18.955 6.691 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -3.579 17.543 7.489 1.00 0.00 H new ATOM 801 N GLU A 53 -5.523 20.585 4.706 1.00 0.00 N ATOM 802 CA GLU A 53 -5.740 21.785 3.906 1.00 0.00 C ATOM 803 C GLU A 53 -6.435 21.444 2.591 1.00 0.00 C ATOM 804 O GLU A 53 -7.291 22.191 2.116 1.00 0.00 O ATOM 805 CB GLU A 53 -4.410 22.486 3.626 1.00 0.00 C ATOM 806 CG GLU A 53 -4.508 23.583 2.580 1.00 0.00 C ATOM 807 CD GLU A 53 -3.487 24.684 2.791 1.00 0.00 C ATOM 808 OE1 GLU A 53 -2.295 24.362 2.973 1.00 0.00 O ATOM 809 OE2 GLU A 53 -3.882 25.869 2.775 1.00 0.00 O ATOM 0 H GLU A 53 -4.580 20.201 4.643 1.00 0.00 H new ATOM 0 HA GLU A 53 -6.384 22.457 4.473 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -4.032 22.914 4.555 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -3.681 21.746 3.296 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -4.369 23.149 1.590 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -5.510 24.012 2.602 1.00 0.00 H new ATOM 816 N LEU A 54 -6.061 20.310 2.008 1.00 0.00 N ATOM 817 CA LEU A 54 -6.647 19.869 0.747 1.00 0.00 C ATOM 818 C LEU A 54 -8.111 19.484 0.932 1.00 0.00 C ATOM 819 O LEU A 54 -8.962 19.829 0.111 1.00 0.00 O ATOM 820 CB LEU A 54 -5.863 18.681 0.186 1.00 0.00 C ATOM 821 CG LEU A 54 -4.347 18.861 0.095 1.00 0.00 C ATOM 822 CD1 LEU A 54 -3.677 17.551 -0.292 1.00 0.00 C ATOM 823 CD2 LEU A 54 -3.998 19.955 -0.903 1.00 0.00 C ATOM 0 H LEU A 54 -5.355 19.680 2.388 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.595 20.698 0.041 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -6.069 17.809 0.807 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -6.243 18.459 -0.811 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.977 19.160 1.075 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.599 17.698 -0.352 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.899 16.793 0.459 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.053 17.222 -1.261 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.915 20.069 -0.954 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -4.382 19.686 -1.887 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.447 20.896 -0.584 1.00 0.00 H new ATOM 835 N ILE A 55 -8.397 18.771 2.016 1.00 0.00 N ATOM 836 CA ILE A 55 -9.759 18.343 2.310 1.00 0.00 C ATOM 837 C ILE A 55 -10.186 18.787 3.705 1.00 0.00 C ATOM 838 O ILE A 55 -9.397 18.748 4.648 1.00 0.00 O ATOM 839 CB ILE A 55 -9.904 16.813 2.204 1.00 0.00 C ATOM 840 CG1 ILE A 55 -9.569 16.344 0.786 1.00 0.00 C ATOM 841 CG2 ILE A 55 -11.312 16.386 2.589 1.00 0.00 C ATOM 842 CD1 ILE A 55 -9.659 14.845 0.608 1.00 0.00 C ATOM 0 H ILE A 55 -7.704 18.478 2.705 1.00 0.00 H new ATOM 0 HA ILE A 55 -10.404 18.813 1.568 1.00 0.00 H new ATOM 0 HB ILE A 55 -9.202 16.348 2.896 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -10.248 16.827 0.083 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -8.561 16.672 0.532 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -11.398 15.302 2.509 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -11.517 16.692 3.615 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -12.031 16.858 1.919 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -9.409 14.585 -0.421 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -8.960 14.355 1.286 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -10.673 14.513 0.830 1.00 0.00 H new ATOM 854 N ASN A 56 -11.441 19.207 3.828 1.00 0.00 N ATOM 855 CA ASN A 56 -11.974 19.657 5.109 1.00 0.00 C ATOM 856 C ASN A 56 -13.072 18.719 5.602 1.00 0.00 C ATOM 857 O ASN A 56 -14.260 19.009 5.461 1.00 0.00 O ATOM 858 CB ASN A 56 -12.521 21.081 4.985 1.00 0.00 C ATOM 859 CG ASN A 56 -11.451 22.133 5.205 1.00 0.00 C ATOM 860 OD1 ASN A 56 -10.262 21.871 5.027 1.00 0.00 O ATOM 861 ND2 ASN A 56 -11.871 23.331 5.595 1.00 0.00 N ATOM 0 H ASN A 56 -12.108 19.245 3.057 1.00 0.00 H new ATOM 0 HA ASN A 56 -11.161 19.649 5.835 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -12.959 21.214 3.996 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -13.322 21.224 5.710 1.00 0.00 H new ATOM 0 HD21 ASN A 56 -11.197 24.079 5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -12.867 23.503 5.730 1.00 0.00 H new ATOM 868 N PHE A 57 -12.665 17.594 6.180 1.00 0.00 N ATOM 869 CA PHE A 57 -13.614 16.613 6.693 1.00 0.00 C ATOM 870 C PHE A 57 -14.782 17.300 7.394 1.00 0.00 C ATOM 871 O PHE A 57 -15.944 16.965 7.162 1.00 0.00 O ATOM 872 CB PHE A 57 -12.916 15.655 7.661 1.00 0.00 C ATOM 873 CG PHE A 57 -13.531 14.285 7.697 1.00 0.00 C ATOM 874 CD1 PHE A 57 -14.581 14.005 8.557 1.00 0.00 C ATOM 875 CD2 PHE A 57 -13.059 13.278 6.872 1.00 0.00 C ATOM 876 CE1 PHE A 57 -15.148 12.745 8.592 1.00 0.00 C ATOM 877 CE2 PHE A 57 -13.622 12.016 6.902 1.00 0.00 C ATOM 878 CZ PHE A 57 -14.669 11.750 7.763 1.00 0.00 C ATOM 0 H PHE A 57 -11.685 17.339 6.305 1.00 0.00 H new ATOM 0 HA PHE A 57 -14.004 16.045 5.848 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -11.867 15.566 7.378 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -12.941 16.082 8.664 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -14.960 14.780 9.207 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -12.241 13.481 6.197 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -15.965 12.539 9.267 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -13.244 11.239 6.254 1.00 0.00 H new ATOM 0 HZ PHE A 57 -15.112 10.765 7.788 1.00 0.00 H new ATOM 888 N ASP A 58 -14.465 18.263 8.253 1.00 0.00 N ATOM 889 CA ASP A 58 -15.487 19.000 8.988 1.00 0.00 C ATOM 890 C ASP A 58 -16.490 19.638 8.032 1.00 0.00 C ATOM 891 O ASP A 58 -17.689 19.675 8.308 1.00 0.00 O ATOM 892 CB ASP A 58 -14.841 20.075 9.862 1.00 0.00 C ATOM 893 CG ASP A 58 -15.767 20.563 10.959 1.00 0.00 C ATOM 894 OD1 ASP A 58 -16.536 21.515 10.707 1.00 0.00 O ATOM 895 OD2 ASP A 58 -15.724 19.993 12.069 1.00 0.00 O ATOM 0 H ASP A 58 -13.508 18.552 8.458 1.00 0.00 H new ATOM 0 HA ASP A 58 -16.019 18.295 9.627 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -13.931 19.676 10.310 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -14.546 20.918 9.237 1.00 0.00 H new ATOM 900 N SER A 59 -15.991 20.141 6.907 1.00 0.00 N ATOM 901 CA SER A 59 -16.842 20.783 5.913 1.00 0.00 C ATOM 902 C SER A 59 -17.542 19.742 5.044 1.00 0.00 C ATOM 903 O SER A 59 -18.670 19.948 4.594 1.00 0.00 O ATOM 904 CB SER A 59 -16.016 21.725 5.035 1.00 0.00 C ATOM 905 OG SER A 59 -16.693 22.019 3.825 1.00 0.00 O ATOM 0 H SER A 59 -15.001 20.116 6.662 1.00 0.00 H new ATOM 0 HA SER A 59 -17.601 21.362 6.440 1.00 0.00 H new ATOM 0 HB2 SER A 59 -15.815 22.649 5.577 1.00 0.00 H new ATOM 0 HB3 SER A 59 -15.051 21.269 4.814 1.00 0.00 H new ATOM 0 HG SER A 59 -16.145 22.624 3.282 1.00 0.00 H new ATOM 911 N LEU A 60 -16.865 18.623 4.811 1.00 0.00 N ATOM 912 CA LEU A 60 -17.420 17.548 3.996 1.00 0.00 C ATOM 913 C LEU A 60 -18.777 17.104 4.532 1.00 0.00 C ATOM 914 O LEU A 60 -18.886 16.639 5.665 1.00 0.00 O ATOM 915 CB LEU A 60 -16.458 16.359 3.962 1.00 0.00 C ATOM 916 CG LEU A 60 -15.095 16.616 3.317 1.00 0.00 C ATOM 917 CD1 LEU A 60 -14.207 15.388 3.440 1.00 0.00 C ATOM 918 CD2 LEU A 60 -15.262 17.012 1.858 1.00 0.00 C ATOM 0 H LEU A 60 -15.931 18.436 5.175 1.00 0.00 H new ATOM 0 HA LEU A 60 -17.556 17.926 2.983 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -16.295 16.020 4.985 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -16.942 15.541 3.428 1.00 0.00 H new ATOM 0 HG LEU A 60 -14.615 17.441 3.843 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.242 15.589 2.976 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -14.060 15.149 4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -14.682 14.544 2.939 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.282 17.191 1.415 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -15.763 16.209 1.318 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -15.861 17.921 1.794 1.00 0.00 H new ATOM 930 N ASN A 61 -19.809 17.248 3.707 1.00 0.00 N ATOM 931 CA ASN A 61 -21.160 16.860 4.097 1.00 0.00 C ATOM 932 C ASN A 61 -21.546 15.526 3.465 1.00 0.00 C ATOM 933 O ASN A 61 -21.607 15.402 2.243 1.00 0.00 O ATOM 934 CB ASN A 61 -22.162 17.941 3.686 1.00 0.00 C ATOM 935 CG ASN A 61 -23.594 17.444 3.719 1.00 0.00 C ATOM 936 OD1 ASN A 61 -24.467 17.987 3.042 1.00 0.00 O ATOM 937 ND2 ASN A 61 -23.842 16.405 4.509 1.00 0.00 N ATOM 0 H ASN A 61 -19.736 17.630 2.764 1.00 0.00 H new ATOM 0 HA ASN A 61 -21.181 16.748 5.181 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -22.062 18.798 4.353 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -21.924 18.290 2.681 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -24.787 16.026 4.572 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -23.087 15.986 5.053 1.00 0.00 H new ATOM 944 N GLU A 62 -21.806 14.532 4.309 1.00 0.00 N ATOM 945 CA GLU A 62 -22.187 13.207 3.832 1.00 0.00 C ATOM 946 C GLU A 62 -23.127 13.309 2.634 1.00 0.00 C ATOM 947 O GLU A 62 -22.916 12.660 1.610 1.00 0.00 O ATOM 948 CB GLU A 62 -22.857 12.411 4.954 1.00 0.00 C ATOM 949 CG GLU A 62 -23.604 13.277 5.953 1.00 0.00 C ATOM 950 CD GLU A 62 -24.534 12.474 6.842 1.00 0.00 C ATOM 951 OE1 GLU A 62 -24.736 11.274 6.557 1.00 0.00 O ATOM 952 OE2 GLU A 62 -25.060 13.043 7.820 1.00 0.00 O ATOM 0 H GLU A 62 -21.760 14.619 5.324 1.00 0.00 H new ATOM 0 HA GLU A 62 -21.282 12.688 3.518 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.552 11.696 4.515 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -22.098 11.834 5.482 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -22.885 13.811 6.574 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -24.181 14.029 5.416 1.00 0.00 H new ATOM 959 N ASP A 63 -24.164 14.128 2.772 1.00 0.00 N ATOM 960 CA ASP A 63 -25.137 14.316 1.702 1.00 0.00 C ATOM 961 C ASP A 63 -24.449 14.752 0.412 1.00 0.00 C ATOM 962 O ASP A 63 -24.845 14.349 -0.682 1.00 0.00 O ATOM 963 CB ASP A 63 -26.184 15.352 2.112 1.00 0.00 C ATOM 964 CG ASP A 63 -27.148 15.677 0.988 1.00 0.00 C ATOM 965 OD1 ASP A 63 -27.384 14.796 0.135 1.00 0.00 O ATOM 966 OD2 ASP A 63 -27.669 16.811 0.962 1.00 0.00 O ATOM 0 H ASP A 63 -24.352 14.672 3.614 1.00 0.00 H new ATOM 0 HA ASP A 63 -25.633 13.362 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -26.743 14.979 2.970 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -25.682 16.265 2.431 1.00 0.00 H new ATOM 971 N ASP A 64 -23.417 15.578 0.549 1.00 0.00 N ATOM 972 CA ASP A 64 -22.673 16.070 -0.605 1.00 0.00 C ATOM 973 C ASP A 64 -21.649 15.039 -1.071 1.00 0.00 C ATOM 974 O ASP A 64 -20.524 15.386 -1.429 1.00 0.00 O ATOM 975 CB ASP A 64 -21.973 17.386 -0.265 1.00 0.00 C ATOM 976 CG ASP A 64 -22.871 18.590 -0.471 1.00 0.00 C ATOM 977 OD1 ASP A 64 -23.896 18.694 0.235 1.00 0.00 O ATOM 978 OD2 ASP A 64 -22.548 19.428 -1.338 1.00 0.00 O ATOM 0 H ASP A 64 -23.077 15.921 1.447 1.00 0.00 H new ATOM 0 HA ASP A 64 -23.381 16.244 -1.415 1.00 0.00 H new ATOM 0 HB2 ASP A 64 -21.639 17.359 0.772 1.00 0.00 H new ATOM 0 HB3 ASP A 64 -21.082 17.491 -0.884 1.00 0.00 H new ATOM 983 N ALA A 65 -22.046 13.771 -1.061 1.00 0.00 N ATOM 984 CA ALA A 65 -21.163 12.691 -1.482 1.00 0.00 C ATOM 985 C ALA A 65 -20.528 12.997 -2.834 1.00 0.00 C ATOM 986 O ALA A 65 -19.318 12.849 -3.011 1.00 0.00 O ATOM 987 CB ALA A 65 -21.928 11.377 -1.542 1.00 0.00 C ATOM 0 H ALA A 65 -22.974 13.467 -0.766 1.00 0.00 H new ATOM 0 HA ALA A 65 -20.364 12.601 -0.746 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -21.256 10.579 -1.858 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -22.329 11.144 -0.556 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -22.747 11.465 -2.256 1.00 0.00 H new ATOM 993 N VAL A 66 -21.351 13.424 -3.787 1.00 0.00 N ATOM 994 CA VAL A 66 -20.869 13.752 -5.123 1.00 0.00 C ATOM 995 C VAL A 66 -19.647 14.661 -5.059 1.00 0.00 C ATOM 996 O VAL A 66 -18.610 14.365 -5.651 1.00 0.00 O ATOM 997 CB VAL A 66 -21.963 14.438 -5.962 1.00 0.00 C ATOM 998 CG1 VAL A 66 -21.422 14.833 -7.327 1.00 0.00 C ATOM 999 CG2 VAL A 66 -23.175 13.530 -6.102 1.00 0.00 C ATOM 0 H VAL A 66 -22.355 13.551 -3.658 1.00 0.00 H new ATOM 0 HA VAL A 66 -20.593 12.811 -5.599 1.00 0.00 H new ATOM 0 HB VAL A 66 -22.275 15.346 -5.446 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -22.210 15.316 -7.905 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -20.588 15.524 -7.202 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -21.079 13.943 -7.854 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -23.938 14.031 -6.698 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -22.880 12.603 -6.595 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -23.576 13.304 -5.114 1.00 0.00 H new ATOM 1009 N GLU A 67 -19.779 15.770 -4.337 1.00 0.00 N ATOM 1010 CA GLU A 67 -18.684 16.723 -4.196 1.00 0.00 C ATOM 1011 C GLU A 67 -17.516 16.102 -3.436 1.00 0.00 C ATOM 1012 O GLU A 67 -16.363 16.210 -3.853 1.00 0.00 O ATOM 1013 CB GLU A 67 -19.166 17.983 -3.473 1.00 0.00 C ATOM 1014 CG GLU A 67 -20.096 18.846 -4.309 1.00 0.00 C ATOM 1015 CD GLU A 67 -19.347 19.743 -5.276 1.00 0.00 C ATOM 1016 OE1 GLU A 67 -18.270 20.252 -4.900 1.00 0.00 O ATOM 1017 OE2 GLU A 67 -19.838 19.937 -6.408 1.00 0.00 O ATOM 0 H GLU A 67 -20.632 16.030 -3.842 1.00 0.00 H new ATOM 0 HA GLU A 67 -18.341 16.994 -5.195 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -19.680 17.692 -2.557 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -18.300 18.576 -3.178 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -20.777 18.204 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -20.707 19.461 -3.648 1.00 0.00 H new ATOM 1024 N ASN A 68 -17.824 15.452 -2.318 1.00 0.00 N ATOM 1025 CA ASN A 68 -16.800 14.815 -1.498 1.00 0.00 C ATOM 1026 C ASN A 68 -15.915 13.904 -2.344 1.00 0.00 C ATOM 1027 O ASN A 68 -14.693 14.050 -2.361 1.00 0.00 O ATOM 1028 CB ASN A 68 -17.448 14.010 -0.370 1.00 0.00 C ATOM 1029 CG ASN A 68 -18.171 14.894 0.629 1.00 0.00 C ATOM 1030 OD1 ASN A 68 -17.931 16.099 0.695 1.00 0.00 O ATOM 1031 ND2 ASN A 68 -19.061 14.295 1.412 1.00 0.00 N ATOM 0 H ASN A 68 -18.774 15.353 -1.960 1.00 0.00 H new ATOM 0 HA ASN A 68 -16.177 15.598 -1.065 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -18.153 13.295 -0.795 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -16.682 13.433 0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -19.578 14.837 2.104 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -19.227 13.293 1.322 1.00 0.00 H new ATOM 1038 N ASN A 69 -16.541 12.964 -3.045 1.00 0.00 N ATOM 1039 CA ASN A 69 -15.810 12.029 -3.893 1.00 0.00 C ATOM 1040 C ASN A 69 -14.979 12.774 -4.933 1.00 0.00 C ATOM 1041 O ASN A 69 -13.751 12.700 -4.928 1.00 0.00 O ATOM 1042 CB ASN A 69 -16.782 11.074 -4.589 1.00 0.00 C ATOM 1043 CG ASN A 69 -17.316 10.008 -3.651 1.00 0.00 C ATOM 1044 OD1 ASN A 69 -16.550 9.292 -3.007 1.00 0.00 O ATOM 1045 ND2 ASN A 69 -18.637 9.899 -3.571 1.00 0.00 N ATOM 0 H ASN A 69 -17.552 12.830 -3.043 1.00 0.00 H new ATOM 0 HA ASN A 69 -15.135 11.453 -3.260 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -17.616 11.644 -4.999 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -16.278 10.596 -5.429 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -19.055 9.200 -2.957 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -19.234 10.514 -4.124 1.00 0.00 H new ATOM 1052 N GLN A 70 -15.658 13.491 -5.823 1.00 0.00 N ATOM 1053 CA GLN A 70 -14.982 14.249 -6.869 1.00 0.00 C ATOM 1054 C GLN A 70 -13.791 15.014 -6.303 1.00 0.00 C ATOM 1055 O GLN A 70 -12.736 15.097 -6.933 1.00 0.00 O ATOM 1056 CB GLN A 70 -15.958 15.220 -7.536 1.00 0.00 C ATOM 1057 CG GLN A 70 -15.625 15.513 -8.990 1.00 0.00 C ATOM 1058 CD GLN A 70 -15.988 14.368 -9.914 1.00 0.00 C ATOM 1059 OE1 GLN A 70 -17.132 14.247 -10.353 1.00 0.00 O ATOM 1060 NE2 GLN A 70 -15.013 13.519 -10.216 1.00 0.00 N ATOM 0 H GLN A 70 -16.675 13.563 -5.840 1.00 0.00 H new ATOM 0 HA GLN A 70 -14.616 13.544 -7.615 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -16.965 14.807 -7.479 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -15.965 16.156 -6.978 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -16.155 16.412 -9.306 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -14.559 15.723 -9.079 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -14.079 13.657 -9.830 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -15.198 12.729 -10.834 1.00 0.00 H new ATOM 1069 N LEU A 71 -13.966 15.574 -5.111 1.00 0.00 N ATOM 1070 CA LEU A 71 -12.905 16.334 -4.459 1.00 0.00 C ATOM 1071 C LEU A 71 -11.683 15.457 -4.207 1.00 0.00 C ATOM 1072 O LEU A 71 -10.623 15.669 -4.794 1.00 0.00 O ATOM 1073 CB LEU A 71 -13.408 16.920 -3.138 1.00 0.00 C ATOM 1074 CG LEU A 71 -12.355 17.594 -2.258 1.00 0.00 C ATOM 1075 CD1 LEU A 71 -11.915 18.915 -2.870 1.00 0.00 C ATOM 1076 CD2 LEU A 71 -12.893 17.808 -0.851 1.00 0.00 C ATOM 0 H LEU A 71 -14.833 15.516 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 71 -12.614 17.148 -5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -14.187 17.649 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -13.875 16.120 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 71 -11.486 16.938 -2.197 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -11.165 19.381 -2.230 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -11.488 18.735 -3.857 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -12.775 19.578 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -12.130 18.289 -0.239 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -13.778 18.443 -0.893 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -13.157 16.846 -0.412 1.00 0.00 H new ATOM 1088 N ALA A 72 -11.840 14.470 -3.330 1.00 0.00 N ATOM 1089 CA ALA A 72 -10.751 13.558 -3.004 1.00 0.00 C ATOM 1090 C ALA A 72 -9.986 13.146 -4.257 1.00 0.00 C ATOM 1091 O ALA A 72 -8.755 13.123 -4.265 1.00 0.00 O ATOM 1092 CB ALA A 72 -11.288 12.330 -2.284 1.00 0.00 C ATOM 0 H ALA A 72 -12.711 14.282 -2.833 1.00 0.00 H new ATOM 0 HA ALA A 72 -10.059 14.080 -2.343 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -10.463 11.658 -2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -11.783 12.636 -1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -12.003 11.815 -2.926 1.00 0.00 H new ATOM 1098 N PHE A 73 -10.722 12.821 -5.314 1.00 0.00 N ATOM 1099 CA PHE A 73 -10.112 12.407 -6.573 1.00 0.00 C ATOM 1100 C PHE A 73 -9.307 13.548 -7.187 1.00 0.00 C ATOM 1101 O PHE A 73 -8.124 13.394 -7.492 1.00 0.00 O ATOM 1102 CB PHE A 73 -11.188 11.940 -7.556 1.00 0.00 C ATOM 1103 CG PHE A 73 -11.994 10.776 -7.053 1.00 0.00 C ATOM 1104 CD1 PHE A 73 -11.379 9.721 -6.400 1.00 0.00 C ATOM 1105 CD2 PHE A 73 -13.367 10.738 -7.235 1.00 0.00 C ATOM 1106 CE1 PHE A 73 -12.118 8.649 -5.936 1.00 0.00 C ATOM 1107 CE2 PHE A 73 -14.111 9.669 -6.773 1.00 0.00 C ATOM 1108 CZ PHE A 73 -13.485 8.622 -6.124 1.00 0.00 C ATOM 0 H PHE A 73 -11.742 12.836 -5.324 1.00 0.00 H new ATOM 0 HA PHE A 73 -9.435 11.578 -6.366 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -11.860 12.772 -7.770 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -10.714 11.664 -8.498 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -10.309 9.736 -6.252 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -13.861 11.553 -7.743 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -11.626 7.833 -5.427 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -15.181 9.652 -6.919 1.00 0.00 H new ATOM 0 HZ PHE A 73 -14.064 7.784 -5.765 1.00 0.00 H new ATOM 1118 N ASP A 74 -9.956 14.693 -7.367 1.00 0.00 N ATOM 1119 CA ASP A 74 -9.302 15.861 -7.945 1.00 0.00 C ATOM 1120 C ASP A 74 -8.028 16.205 -7.178 1.00 0.00 C ATOM 1121 O ASP A 74 -6.989 16.487 -7.775 1.00 0.00 O ATOM 1122 CB ASP A 74 -10.253 17.059 -7.941 1.00 0.00 C ATOM 1123 CG ASP A 74 -11.090 17.137 -9.202 1.00 0.00 C ATOM 1124 OD1 ASP A 74 -11.272 16.090 -9.860 1.00 0.00 O ATOM 1125 OD2 ASP A 74 -11.565 18.244 -9.531 1.00 0.00 O ATOM 0 H ASP A 74 -10.935 14.837 -7.121 1.00 0.00 H new ATOM 0 HA ASP A 74 -9.033 15.624 -8.974 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -10.911 16.994 -7.075 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -9.676 17.977 -7.834 1.00 0.00 H new ATOM 1130 N VAL A 75 -8.116 16.179 -5.852 1.00 0.00 N ATOM 1131 CA VAL A 75 -6.971 16.488 -5.004 1.00 0.00 C ATOM 1132 C VAL A 75 -5.869 15.448 -5.168 1.00 0.00 C ATOM 1133 O VAL A 75 -4.684 15.779 -5.175 1.00 0.00 O ATOM 1134 CB VAL A 75 -7.376 16.561 -3.520 1.00 0.00 C ATOM 1135 CG1 VAL A 75 -6.142 16.601 -2.631 1.00 0.00 C ATOM 1136 CG2 VAL A 75 -8.263 17.772 -3.269 1.00 0.00 C ATOM 0 H VAL A 75 -8.968 15.947 -5.342 1.00 0.00 H new ATOM 0 HA VAL A 75 -6.597 17.462 -5.320 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.944 15.665 -3.272 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.448 16.652 -1.586 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.549 15.701 -2.791 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.544 17.478 -2.878 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.540 17.808 -2.215 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.722 18.680 -3.533 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.164 17.696 -3.878 1.00 0.00 H new ATOM 1146 N ALA A 76 -6.268 14.187 -5.302 1.00 0.00 N ATOM 1147 CA ALA A 76 -5.315 13.097 -5.469 1.00 0.00 C ATOM 1148 C ALA A 76 -4.713 13.105 -6.870 1.00 0.00 C ATOM 1149 O ALA A 76 -3.627 12.569 -7.091 1.00 0.00 O ATOM 1150 CB ALA A 76 -5.986 11.761 -5.188 1.00 0.00 C ATOM 0 H ALA A 76 -7.245 13.895 -5.298 1.00 0.00 H new ATOM 0 HA ALA A 76 -4.506 13.242 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -5.262 10.956 -5.317 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.362 11.751 -4.165 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.815 11.617 -5.881 1.00 0.00 H new ATOM 1156 N GLU A 77 -5.426 13.714 -7.812 1.00 0.00 N ATOM 1157 CA GLU A 77 -4.961 13.789 -9.192 1.00 0.00 C ATOM 1158 C GLU A 77 -4.247 15.112 -9.455 1.00 0.00 C ATOM 1159 O GLU A 77 -3.596 15.283 -10.486 1.00 0.00 O ATOM 1160 CB GLU A 77 -6.136 13.629 -10.159 1.00 0.00 C ATOM 1161 CG GLU A 77 -5.713 13.367 -11.594 1.00 0.00 C ATOM 1162 CD GLU A 77 -6.711 13.899 -12.604 1.00 0.00 C ATOM 1163 OE1 GLU A 77 -7.903 13.540 -12.506 1.00 0.00 O ATOM 1164 OE2 GLU A 77 -6.300 14.674 -13.493 1.00 0.00 O ATOM 0 H GLU A 77 -6.327 14.162 -7.645 1.00 0.00 H new ATOM 0 HA GLU A 77 -4.253 12.976 -9.354 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.766 12.807 -9.819 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -6.746 14.532 -10.128 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -4.741 13.828 -11.772 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -5.589 12.294 -11.742 1.00 0.00 H new ATOM 1171 N ARG A 78 -4.376 16.043 -8.517 1.00 0.00 N ATOM 1172 CA ARG A 78 -3.746 17.352 -8.647 1.00 0.00 C ATOM 1173 C ARG A 78 -2.507 17.449 -7.761 1.00 0.00 C ATOM 1174 O ARG A 78 -1.529 18.106 -8.116 1.00 0.00 O ATOM 1175 CB ARG A 78 -4.737 18.458 -8.280 1.00 0.00 C ATOM 1176 CG ARG A 78 -5.757 18.747 -9.369 1.00 0.00 C ATOM 1177 CD ARG A 78 -5.162 19.599 -10.478 1.00 0.00 C ATOM 1178 NE ARG A 78 -4.714 20.900 -9.988 1.00 0.00 N ATOM 1179 CZ ARG A 78 -4.538 21.959 -10.770 1.00 0.00 C ATOM 1180 NH1 ARG A 78 -4.772 21.872 -12.072 1.00 0.00 N ATOM 1181 NH2 ARG A 78 -4.128 23.109 -10.250 1.00 0.00 N ATOM 0 H ARG A 78 -4.911 15.916 -7.658 1.00 0.00 H new ATOM 0 HA ARG A 78 -3.440 17.479 -9.685 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -5.262 18.176 -7.368 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.184 19.371 -8.060 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -6.121 17.808 -9.786 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -6.617 19.259 -8.937 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -4.321 19.072 -10.928 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.905 19.743 -11.263 1.00 0.00 H new ATOM 0 HE ARG A 78 -4.526 21.001 -8.991 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -5.088 20.990 -12.476 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -4.636 22.687 -12.670 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.948 23.180 -9.249 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -3.993 23.922 -10.852 1.00 0.00 H new ATOM 1195 N GLU A 79 -2.558 16.791 -6.607 1.00 0.00 N ATOM 1196 CA GLU A 79 -1.441 16.805 -5.670 1.00 0.00 C ATOM 1197 C GLU A 79 -0.514 15.618 -5.911 1.00 0.00 C ATOM 1198 O GLU A 79 0.708 15.765 -5.938 1.00 0.00 O ATOM 1199 CB GLU A 79 -1.954 16.781 -4.229 1.00 0.00 C ATOM 1200 CG GLU A 79 -2.449 18.131 -3.736 1.00 0.00 C ATOM 1201 CD GLU A 79 -1.317 19.092 -3.432 1.00 0.00 C ATOM 1202 OE1 GLU A 79 -0.634 19.524 -4.385 1.00 0.00 O ATOM 1203 OE2 GLU A 79 -1.112 19.412 -2.243 1.00 0.00 O ATOM 0 H GLU A 79 -3.360 16.242 -6.299 1.00 0.00 H new ATOM 0 HA GLU A 79 -0.877 17.723 -5.832 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.765 16.056 -4.153 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -1.155 16.435 -3.573 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -3.102 18.572 -4.489 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.050 17.988 -2.838 1.00 0.00 H new ATOM 1210 N PHE A 80 -1.104 14.440 -6.086 1.00 0.00 N ATOM 1211 CA PHE A 80 -0.332 13.226 -6.323 1.00 0.00 C ATOM 1212 C PHE A 80 -0.271 12.902 -7.813 1.00 0.00 C ATOM 1213 O PHE A 80 0.634 12.206 -8.272 1.00 0.00 O ATOM 1214 CB PHE A 80 -0.943 12.049 -5.558 1.00 0.00 C ATOM 1215 CG PHE A 80 -1.159 12.331 -4.099 1.00 0.00 C ATOM 1216 CD1 PHE A 80 -2.108 13.255 -3.691 1.00 0.00 C ATOM 1217 CD2 PHE A 80 -0.414 11.671 -3.135 1.00 0.00 C ATOM 1218 CE1 PHE A 80 -2.310 13.516 -2.349 1.00 0.00 C ATOM 1219 CE2 PHE A 80 -0.612 11.928 -1.791 1.00 0.00 C ATOM 1220 CZ PHE A 80 -1.560 12.852 -1.398 1.00 0.00 C ATOM 0 H PHE A 80 -2.114 14.301 -6.068 1.00 0.00 H new ATOM 0 HA PHE A 80 0.683 13.396 -5.964 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -1.897 11.785 -6.014 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.291 11.182 -5.660 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -2.697 13.777 -4.431 1.00 0.00 H new ATOM 0 HD2 PHE A 80 0.329 10.948 -3.437 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -3.053 14.238 -2.044 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -0.026 11.406 -1.049 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.715 13.055 -0.349 1.00 0.00 H new ATOM 1230 N GLY A 81 -1.243 13.412 -8.563 1.00 0.00 N ATOM 1231 CA GLY A 81 -1.283 13.167 -9.993 1.00 0.00 C ATOM 1232 C GLY A 81 -1.789 11.778 -10.329 1.00 0.00 C ATOM 1233 O GLY A 81 -1.390 11.191 -11.335 1.00 0.00 O ATOM 0 H GLY A 81 -2.003 13.990 -8.206 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -1.925 13.909 -10.468 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -0.284 13.297 -10.409 1.00 0.00 H new ATOM 1237 N ILE A 82 -2.668 11.250 -9.484 1.00 0.00 N ATOM 1238 CA ILE A 82 -3.228 9.921 -9.696 1.00 0.00 C ATOM 1239 C ILE A 82 -4.619 10.003 -10.316 1.00 0.00 C ATOM 1240 O ILE A 82 -5.547 10.577 -9.746 1.00 0.00 O ATOM 1241 CB ILE A 82 -3.311 9.128 -8.379 1.00 0.00 C ATOM 1242 CG1 ILE A 82 -1.918 8.961 -7.769 1.00 0.00 C ATOM 1243 CG2 ILE A 82 -3.957 7.771 -8.617 1.00 0.00 C ATOM 1244 CD1 ILE A 82 -1.927 8.278 -6.419 1.00 0.00 C ATOM 0 H ILE A 82 -3.008 11.722 -8.646 1.00 0.00 H new ATOM 0 HA ILE A 82 -2.558 9.402 -10.381 1.00 0.00 H new ATOM 0 HB ILE A 82 -3.930 9.685 -7.676 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -1.297 8.385 -8.455 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -1.455 9.942 -7.668 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -4.008 7.223 -7.676 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -4.964 7.911 -9.011 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -3.362 7.206 -9.335 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.906 8.194 -6.047 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -2.521 8.865 -5.718 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -2.361 7.283 -6.518 1.00 0.00 H new ATOM 1256 N PRO A 83 -4.769 9.414 -11.512 1.00 0.00 N ATOM 1257 CA PRO A 83 -6.044 9.405 -12.235 1.00 0.00 C ATOM 1258 C PRO A 83 -7.087 8.521 -11.559 1.00 0.00 C ATOM 1259 O PRO A 83 -6.865 7.336 -11.310 1.00 0.00 O ATOM 1260 CB PRO A 83 -5.670 8.837 -13.606 1.00 0.00 C ATOM 1261 CG PRO A 83 -4.450 8.019 -13.358 1.00 0.00 C ATOM 1262 CD PRO A 83 -3.706 8.712 -12.250 1.00 0.00 C ATOM 0 HA PRO A 83 -6.496 10.396 -12.278 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -6.477 8.230 -14.016 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -5.473 9.633 -14.324 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.714 7.000 -13.073 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -3.837 7.950 -14.257 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -3.178 8.001 -11.615 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -2.961 9.406 -12.639 1.00 0.00 H new ATOM 1270 N PRO A 84 -8.254 9.109 -11.255 1.00 0.00 N ATOM 1271 CA PRO A 84 -9.355 8.392 -10.605 1.00 0.00 C ATOM 1272 C PRO A 84 -10.001 7.363 -11.526 1.00 0.00 C ATOM 1273 O PRO A 84 -10.129 7.586 -12.730 1.00 0.00 O ATOM 1274 CB PRO A 84 -10.350 9.504 -10.264 1.00 0.00 C ATOM 1275 CG PRO A 84 -10.066 10.582 -11.252 1.00 0.00 C ATOM 1276 CD PRO A 84 -8.588 10.517 -11.523 1.00 0.00 C ATOM 0 HA PRO A 84 -9.016 7.824 -9.739 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -11.379 9.153 -10.345 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -10.214 9.858 -9.242 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.638 10.432 -12.168 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.348 11.558 -10.856 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -8.355 10.797 -12.550 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.030 11.193 -10.875 1.00 0.00 H new ATOM 1284 N VAL A 85 -10.408 6.235 -10.952 1.00 0.00 N ATOM 1285 CA VAL A 85 -11.043 5.172 -11.722 1.00 0.00 C ATOM 1286 C VAL A 85 -12.519 5.471 -11.959 1.00 0.00 C ATOM 1287 O VAL A 85 -13.088 5.080 -12.979 1.00 0.00 O ATOM 1288 CB VAL A 85 -10.914 3.811 -11.013 1.00 0.00 C ATOM 1289 CG1 VAL A 85 -9.458 3.374 -10.957 1.00 0.00 C ATOM 1290 CG2 VAL A 85 -11.512 3.880 -9.616 1.00 0.00 C ATOM 0 H VAL A 85 -10.309 6.034 -9.957 1.00 0.00 H new ATOM 0 HA VAL A 85 -10.526 5.124 -12.681 1.00 0.00 H new ATOM 0 HB VAL A 85 -11.470 3.068 -11.586 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -9.386 2.410 -10.453 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -9.066 3.283 -11.970 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -8.877 4.115 -10.408 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -11.412 2.910 -9.129 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -10.986 4.635 -9.032 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -12.567 4.145 -9.685 1.00 0.00 H new ATOM 1300 N THR A 86 -13.136 6.168 -11.009 1.00 0.00 N ATOM 1301 CA THR A 86 -14.546 6.519 -11.113 1.00 0.00 C ATOM 1302 C THR A 86 -14.783 7.969 -10.707 1.00 0.00 C ATOM 1303 O THR A 86 -14.037 8.530 -9.904 1.00 0.00 O ATOM 1304 CB THR A 86 -15.420 5.603 -10.235 1.00 0.00 C ATOM 1305 OG1 THR A 86 -16.802 5.943 -10.397 1.00 0.00 O ATOM 1306 CG2 THR A 86 -15.030 5.725 -8.770 1.00 0.00 C ATOM 0 H THR A 86 -12.680 6.500 -10.159 1.00 0.00 H new ATOM 0 HA THR A 86 -14.828 6.386 -12.157 1.00 0.00 H new ATOM 0 HB THR A 86 -15.261 4.572 -10.552 1.00 0.00 H new ATOM 0 HG1 THR A 86 -17.316 5.134 -10.603 1.00 0.00 H new ATOM 0 HG21 THR A 86 -15.661 5.069 -8.170 1.00 0.00 H new ATOM 0 HG22 THR A 86 -13.986 5.437 -8.646 1.00 0.00 H new ATOM 0 HG23 THR A 86 -15.164 6.756 -8.443 1.00 0.00 H new ATOM 1314 N THR A 87 -15.827 8.573 -11.267 1.00 0.00 N ATOM 1315 CA THR A 87 -16.161 9.959 -10.964 1.00 0.00 C ATOM 1316 C THR A 87 -17.204 10.042 -9.854 1.00 0.00 C ATOM 1317 O THR A 87 -18.213 9.339 -9.883 1.00 0.00 O ATOM 1318 CB THR A 87 -16.693 10.694 -12.208 1.00 0.00 C ATOM 1319 OG1 THR A 87 -17.916 10.093 -12.647 1.00 0.00 O ATOM 1320 CG2 THR A 87 -15.672 10.659 -13.335 1.00 0.00 C ATOM 0 H THR A 87 -16.456 8.124 -11.933 1.00 0.00 H new ATOM 0 HA THR A 87 -15.241 10.441 -10.633 1.00 0.00 H new ATOM 0 HB THR A 87 -16.877 11.734 -11.937 1.00 0.00 H new ATOM 0 HG1 THR A 87 -18.248 10.568 -13.437 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.070 11.184 -14.203 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.752 11.144 -13.008 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.461 9.624 -13.603 1.00 0.00 H new ATOM 1328 N GLY A 88 -16.953 10.908 -8.877 1.00 0.00 N ATOM 1329 CA GLY A 88 -17.880 11.068 -7.772 1.00 0.00 C ATOM 1330 C GLY A 88 -19.325 10.909 -8.199 1.00 0.00 C ATOM 1331 O GLY A 88 -20.088 10.172 -7.574 1.00 0.00 O ATOM 0 H GLY A 88 -16.125 11.501 -8.831 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -17.650 10.334 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -17.743 12.053 -7.326 1.00 0.00 H new ATOM 1335 N LYS A 89 -19.704 11.602 -9.267 1.00 0.00 N ATOM 1336 CA LYS A 89 -21.068 11.536 -9.779 1.00 0.00 C ATOM 1337 C LYS A 89 -21.561 10.093 -9.829 1.00 0.00 C ATOM 1338 O LYS A 89 -22.500 9.724 -9.125 1.00 0.00 O ATOM 1339 CB LYS A 89 -21.142 12.160 -11.174 1.00 0.00 C ATOM 1340 CG LYS A 89 -22.483 12.804 -11.482 1.00 0.00 C ATOM 1341 CD LYS A 89 -23.427 11.828 -12.164 1.00 0.00 C ATOM 1342 CE LYS A 89 -24.267 11.066 -11.152 1.00 0.00 C ATOM 1343 NZ LYS A 89 -25.604 10.705 -11.700 1.00 0.00 N ATOM 0 H LYS A 89 -19.085 12.217 -9.796 1.00 0.00 H new ATOM 0 HA LYS A 89 -21.711 12.098 -9.102 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -20.357 12.911 -11.269 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -20.939 11.390 -11.918 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -22.936 13.164 -10.558 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -22.332 13.673 -12.122 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -24.081 12.370 -12.847 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -22.852 11.124 -12.765 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -23.741 10.160 -10.852 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -24.394 11.672 -10.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -26.146 10.187 -10.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -26.117 11.571 -11.963 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -25.484 10.105 -12.541 1.00 0.00 H new ATOM 1357 N GLU A 90 -20.919 9.283 -10.665 1.00 0.00 N ATOM 1358 CA GLU A 90 -21.293 7.880 -10.806 1.00 0.00 C ATOM 1359 C GLU A 90 -21.031 7.115 -9.512 1.00 0.00 C ATOM 1360 O GLU A 90 -21.878 6.353 -9.047 1.00 0.00 O ATOM 1361 CB GLU A 90 -20.519 7.236 -11.958 1.00 0.00 C ATOM 1362 CG GLU A 90 -21.111 5.917 -12.426 1.00 0.00 C ATOM 1363 CD GLU A 90 -20.643 4.739 -11.594 1.00 0.00 C ATOM 1364 OE1 GLU A 90 -19.534 4.818 -11.026 1.00 0.00 O ATOM 1365 OE2 GLU A 90 -21.386 3.739 -11.511 1.00 0.00 O ATOM 0 H GLU A 90 -20.139 9.573 -11.254 1.00 0.00 H new ATOM 0 HA GLU A 90 -22.360 7.835 -11.025 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -20.490 7.930 -12.798 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -19.488 7.071 -11.645 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -22.199 5.976 -12.385 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -20.840 5.751 -13.469 1.00 0.00 H new ATOM 1372 N MET A 91 -19.852 7.325 -8.936 1.00 0.00 N ATOM 1373 CA MET A 91 -19.478 6.655 -7.695 1.00 0.00 C ATOM 1374 C MET A 91 -20.653 6.613 -6.725 1.00 0.00 C ATOM 1375 O MET A 91 -21.017 5.551 -6.222 1.00 0.00 O ATOM 1376 CB MET A 91 -18.289 7.367 -7.045 1.00 0.00 C ATOM 1377 CG MET A 91 -17.716 6.624 -5.849 1.00 0.00 C ATOM 1378 SD MET A 91 -17.105 4.983 -6.279 1.00 0.00 S ATOM 1379 CE MET A 91 -17.818 4.000 -4.962 1.00 0.00 C ATOM 0 H MET A 91 -19.140 7.953 -9.308 1.00 0.00 H new ATOM 0 HA MET A 91 -19.192 5.631 -7.935 1.00 0.00 H new ATOM 0 HB2 MET A 91 -17.504 7.500 -7.790 1.00 0.00 H new ATOM 0 HB3 MET A 91 -18.601 8.362 -6.729 1.00 0.00 H new ATOM 0 HG2 MET A 91 -16.903 7.209 -5.418 1.00 0.00 H new ATOM 0 HG3 MET A 91 -18.484 6.532 -5.081 1.00 0.00 H new ATOM 0 HE1 MET A 91 -18.217 3.073 -5.375 1.00 0.00 H new ATOM 0 HE2 MET A 91 -17.050 3.768 -4.224 1.00 0.00 H new ATOM 0 HE3 MET A 91 -18.622 4.560 -4.484 1.00 0.00 H new ATOM 1389 N ALA A 92 -21.243 7.776 -6.465 1.00 0.00 N ATOM 1390 CA ALA A 92 -22.378 7.871 -5.556 1.00 0.00 C ATOM 1391 C ALA A 92 -23.593 7.139 -6.117 1.00 0.00 C ATOM 1392 O ALA A 92 -24.335 6.492 -5.378 1.00 0.00 O ATOM 1393 CB ALA A 92 -22.717 9.329 -5.285 1.00 0.00 C ATOM 0 H ALA A 92 -20.953 8.665 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 92 -22.100 7.393 -4.616 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -23.567 9.385 -4.605 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -21.858 9.825 -4.834 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -22.970 9.824 -6.223 1.00 0.00 H new ATOM 1399 N SER A 93 -23.791 7.247 -7.427 1.00 0.00 N ATOM 1400 CA SER A 93 -24.919 6.600 -8.086 1.00 0.00 C ATOM 1401 C SER A 93 -24.900 5.094 -7.839 1.00 0.00 C ATOM 1402 O SER A 93 -25.825 4.540 -7.246 1.00 0.00 O ATOM 1403 CB SER A 93 -24.890 6.882 -9.589 1.00 0.00 C ATOM 1404 OG SER A 93 -25.570 8.088 -9.894 1.00 0.00 O ATOM 0 H SER A 93 -23.184 7.777 -8.053 1.00 0.00 H new ATOM 0 HA SER A 93 -25.838 7.009 -7.665 1.00 0.00 H new ATOM 0 HB2 SER A 93 -23.857 6.947 -9.930 1.00 0.00 H new ATOM 0 HB3 SER A 93 -25.352 6.054 -10.127 1.00 0.00 H new ATOM 0 HG SER A 93 -25.536 8.247 -10.860 1.00 0.00 H new ATOM 1410 N ALA A 94 -23.840 4.439 -8.300 1.00 0.00 N ATOM 1411 CA ALA A 94 -23.699 2.998 -8.129 1.00 0.00 C ATOM 1412 C ALA A 94 -23.831 2.604 -6.662 1.00 0.00 C ATOM 1413 O ALA A 94 -23.106 3.111 -5.806 1.00 0.00 O ATOM 1414 CB ALA A 94 -22.362 2.529 -8.685 1.00 0.00 C ATOM 0 H ALA A 94 -23.066 4.883 -8.795 1.00 0.00 H new ATOM 0 HA ALA A 94 -24.502 2.511 -8.683 1.00 0.00 H new ATOM 0 HB1 ALA A 94 -22.270 1.451 -8.551 1.00 0.00 H new ATOM 0 HB2 ALA A 94 -22.305 2.769 -9.747 1.00 0.00 H new ATOM 0 HB3 ALA A 94 -21.552 3.031 -8.156 1.00 0.00 H new ATOM 1420 N GLN A 95 -24.761 1.698 -6.379 1.00 0.00 N ATOM 1421 CA GLN A 95 -24.989 1.238 -5.014 1.00 0.00 C ATOM 1422 C GLN A 95 -23.818 0.394 -4.522 1.00 0.00 C ATOM 1423 O GLN A 95 -23.268 0.644 -3.450 1.00 0.00 O ATOM 1424 CB GLN A 95 -26.285 0.428 -4.936 1.00 0.00 C ATOM 1425 CG GLN A 95 -26.820 0.273 -3.521 1.00 0.00 C ATOM 1426 CD GLN A 95 -28.310 -0.006 -3.489 1.00 0.00 C ATOM 1427 OE1 GLN A 95 -28.872 -0.551 -4.440 1.00 0.00 O ATOM 1428 NE2 GLN A 95 -28.958 0.366 -2.391 1.00 0.00 N ATOM 0 H GLN A 95 -25.369 1.268 -7.076 1.00 0.00 H new ATOM 0 HA GLN A 95 -25.077 2.114 -4.372 1.00 0.00 H new ATOM 0 HB2 GLN A 95 -27.044 0.911 -5.552 1.00 0.00 H new ATOM 0 HB3 GLN A 95 -26.112 -0.561 -5.361 1.00 0.00 H new ATOM 0 HG2 GLN A 95 -26.291 -0.540 -3.023 1.00 0.00 H new ATOM 0 HG3 GLN A 95 -26.612 1.182 -2.956 1.00 0.00 H new ATOM 0 HE21 GLN A 95 -28.452 0.814 -1.627 1.00 0.00 H new ATOM 0 HE22 GLN A 95 -29.962 0.203 -2.311 1.00 0.00 H new ATOM 1437 N GLU A 96 -23.443 -0.607 -5.312 1.00 0.00 N ATOM 1438 CA GLU A 96 -22.337 -1.489 -4.955 1.00 0.00 C ATOM 1439 C GLU A 96 -21.290 -1.525 -6.064 1.00 0.00 C ATOM 1440 O GLU A 96 -21.467 -2.167 -7.099 1.00 0.00 O ATOM 1441 CB GLU A 96 -22.852 -2.903 -4.678 1.00 0.00 C ATOM 1442 CG GLU A 96 -22.019 -3.666 -3.663 1.00 0.00 C ATOM 1443 CD GLU A 96 -22.472 -5.104 -3.499 1.00 0.00 C ATOM 1444 OE1 GLU A 96 -22.653 -5.789 -4.527 1.00 0.00 O ATOM 1445 OE2 GLU A 96 -22.647 -5.544 -2.343 1.00 0.00 O ATOM 0 H GLU A 96 -23.888 -0.828 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 96 -21.870 -1.097 -4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -23.880 -2.843 -4.320 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -22.872 -3.463 -5.613 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -20.974 -3.651 -3.972 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -22.074 -3.160 -2.699 1.00 0.00 H new ATOM 1452 N PRO A 97 -20.171 -0.817 -5.844 1.00 0.00 N ATOM 1453 CA PRO A 97 -19.073 -0.752 -6.812 1.00 0.00 C ATOM 1454 C PRO A 97 -18.328 -2.077 -6.935 1.00 0.00 C ATOM 1455 O PRO A 97 -18.707 -3.072 -6.318 1.00 0.00 O ATOM 1456 CB PRO A 97 -18.154 0.327 -6.234 1.00 0.00 C ATOM 1457 CG PRO A 97 -18.437 0.321 -4.771 1.00 0.00 C ATOM 1458 CD PRO A 97 -19.893 -0.028 -4.632 1.00 0.00 C ATOM 0 HA PRO A 97 -19.430 -0.533 -7.818 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -17.106 0.104 -6.436 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.363 1.302 -6.674 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -17.810 -0.407 -4.255 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.225 1.294 -4.329 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -20.084 -0.603 -3.726 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -20.517 0.864 -4.581 1.00 0.00 H new ATOM 1466 N ASP A 98 -17.267 -2.082 -7.733 1.00 0.00 N ATOM 1467 CA ASP A 98 -16.467 -3.285 -7.935 1.00 0.00 C ATOM 1468 C ASP A 98 -15.357 -3.380 -6.893 1.00 0.00 C ATOM 1469 O ASP A 98 -14.355 -2.669 -6.971 1.00 0.00 O ATOM 1470 CB ASP A 98 -15.866 -3.293 -9.342 1.00 0.00 C ATOM 1471 CG ASP A 98 -16.803 -2.699 -10.375 1.00 0.00 C ATOM 1472 OD1 ASP A 98 -17.830 -3.339 -10.682 1.00 0.00 O ATOM 1473 OD2 ASP A 98 -16.508 -1.595 -10.878 1.00 0.00 O ATOM 0 H ASP A 98 -16.940 -1.266 -8.251 1.00 0.00 H new ATOM 0 HA ASP A 98 -17.121 -4.150 -7.823 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -14.932 -2.732 -9.338 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -15.622 -4.317 -9.624 1.00 0.00 H new ATOM 1478 N LYS A 99 -15.542 -4.264 -5.919 1.00 0.00 N ATOM 1479 CA LYS A 99 -14.557 -4.454 -4.860 1.00 0.00 C ATOM 1480 C LYS A 99 -13.139 -4.354 -5.413 1.00 0.00 C ATOM 1481 O LYS A 99 -12.257 -3.765 -4.786 1.00 0.00 O ATOM 1482 CB LYS A 99 -14.758 -5.812 -4.186 1.00 0.00 C ATOM 1483 CG LYS A 99 -14.088 -5.923 -2.827 1.00 0.00 C ATOM 1484 CD LYS A 99 -14.705 -7.029 -1.989 1.00 0.00 C ATOM 1485 CE LYS A 99 -15.897 -6.523 -1.190 1.00 0.00 C ATOM 1486 NZ LYS A 99 -16.127 -7.336 0.037 1.00 0.00 N ATOM 0 H LYS A 99 -16.365 -4.861 -5.841 1.00 0.00 H new ATOM 0 HA LYS A 99 -14.697 -3.665 -4.121 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -15.826 -5.996 -4.071 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -14.368 -6.593 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -13.024 -6.117 -2.960 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -14.175 -4.974 -2.299 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -15.021 -7.846 -2.638 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -13.955 -7.434 -1.309 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -15.732 -5.482 -0.911 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -16.790 -6.547 -1.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -16.947 -6.960 0.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -16.310 -8.324 -0.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -15.285 -7.292 0.645 1.00 0.00 H new ATOM 1500 N LEU A 100 -12.925 -4.932 -6.590 1.00 0.00 N ATOM 1501 CA LEU A 100 -11.614 -4.906 -7.228 1.00 0.00 C ATOM 1502 C LEU A 100 -11.165 -3.473 -7.494 1.00 0.00 C ATOM 1503 O LEU A 100 -10.212 -2.987 -6.885 1.00 0.00 O ATOM 1504 CB LEU A 100 -11.647 -5.694 -8.539 1.00 0.00 C ATOM 1505 CG LEU A 100 -11.310 -7.182 -8.437 1.00 0.00 C ATOM 1506 CD1 LEU A 100 -9.897 -7.374 -7.911 1.00 0.00 C ATOM 1507 CD2 LEU A 100 -12.315 -7.896 -7.545 1.00 0.00 C ATOM 0 H LEU A 100 -13.643 -5.424 -7.122 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.899 -5.371 -6.550 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -12.642 -5.596 -8.973 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -10.948 -5.231 -9.236 1.00 0.00 H new ATOM 0 HG LEU A 100 -11.366 -7.617 -9.435 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.675 -8.439 -7.845 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.189 -6.897 -8.588 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -9.813 -6.924 -6.922 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -12.060 -8.954 -7.484 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.291 -7.458 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -13.315 -7.788 -7.965 1.00 0.00 H new ATOM 1519 N SER A 101 -11.859 -2.801 -8.407 1.00 0.00 N ATOM 1520 CA SER A 101 -11.532 -1.423 -8.755 1.00 0.00 C ATOM 1521 C SER A 101 -11.129 -0.631 -7.515 1.00 0.00 C ATOM 1522 O SER A 101 -10.155 0.122 -7.536 1.00 0.00 O ATOM 1523 CB SER A 101 -12.724 -0.750 -9.439 1.00 0.00 C ATOM 1524 OG SER A 101 -12.300 0.319 -10.266 1.00 0.00 O ATOM 0 H SER A 101 -12.651 -3.188 -8.919 1.00 0.00 H new ATOM 0 HA SER A 101 -10.688 -1.439 -9.445 1.00 0.00 H new ATOM 0 HB2 SER A 101 -13.266 -1.483 -10.036 1.00 0.00 H new ATOM 0 HB3 SER A 101 -13.417 -0.378 -8.685 1.00 0.00 H new ATOM 0 HG SER A 101 -13.080 0.731 -10.693 1.00 0.00 H new ATOM 1530 N MET A 102 -11.885 -0.807 -6.436 1.00 0.00 N ATOM 1531 CA MET A 102 -11.606 -0.110 -5.186 1.00 0.00 C ATOM 1532 C MET A 102 -10.276 -0.566 -4.594 1.00 0.00 C ATOM 1533 O MET A 102 -9.441 0.254 -4.212 1.00 0.00 O ATOM 1534 CB MET A 102 -12.734 -0.349 -4.181 1.00 0.00 C ATOM 1535 CG MET A 102 -13.903 0.610 -4.339 1.00 0.00 C ATOM 1536 SD MET A 102 -13.407 2.338 -4.202 1.00 0.00 S ATOM 1537 CE MET A 102 -12.386 2.281 -2.732 1.00 0.00 C ATOM 0 H MET A 102 -12.695 -1.426 -6.402 1.00 0.00 H new ATOM 0 HA MET A 102 -11.541 0.957 -5.401 1.00 0.00 H new ATOM 0 HB2 MET A 102 -13.096 -1.371 -4.290 1.00 0.00 H new ATOM 0 HB3 MET A 102 -12.335 -0.259 -3.171 1.00 0.00 H new ATOM 0 HG2 MET A 102 -14.373 0.447 -5.309 1.00 0.00 H new ATOM 0 HG3 MET A 102 -14.653 0.390 -3.580 1.00 0.00 H new ATOM 0 HE1 MET A 102 -12.194 3.296 -2.383 1.00 0.00 H new ATOM 0 HE2 MET A 102 -12.902 1.721 -1.952 1.00 0.00 H new ATOM 0 HE3 MET A 102 -11.440 1.792 -2.965 1.00 0.00 H new ATOM 1547 N VAL A 103 -10.086 -1.880 -4.520 1.00 0.00 N ATOM 1548 CA VAL A 103 -8.858 -2.445 -3.974 1.00 0.00 C ATOM 1549 C VAL A 103 -7.642 -1.993 -4.776 1.00 0.00 C ATOM 1550 O VAL A 103 -6.660 -1.510 -4.214 1.00 0.00 O ATOM 1551 CB VAL A 103 -8.906 -3.984 -3.960 1.00 0.00 C ATOM 1552 CG1 VAL A 103 -7.596 -4.555 -3.438 1.00 0.00 C ATOM 1553 CG2 VAL A 103 -10.080 -4.472 -3.124 1.00 0.00 C ATOM 0 H VAL A 103 -10.767 -2.573 -4.831 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.770 -2.082 -2.950 1.00 0.00 H new ATOM 0 HB VAL A 103 -9.046 -4.335 -4.982 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -7.649 -5.644 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -6.777 -4.233 -4.081 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -7.422 -4.198 -2.423 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.099 -5.562 -3.125 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.973 -4.112 -2.101 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -11.010 -4.093 -3.547 1.00 0.00 H new ATOM 1563 N MET A 104 -7.716 -2.155 -6.093 1.00 0.00 N ATOM 1564 CA MET A 104 -6.621 -1.762 -6.973 1.00 0.00 C ATOM 1565 C MET A 104 -6.340 -0.267 -6.857 1.00 0.00 C ATOM 1566 O MET A 104 -5.186 0.161 -6.874 1.00 0.00 O ATOM 1567 CB MET A 104 -6.950 -2.120 -8.423 1.00 0.00 C ATOM 1568 CG MET A 104 -8.120 -1.333 -8.993 1.00 0.00 C ATOM 1569 SD MET A 104 -8.456 -1.740 -10.717 1.00 0.00 S ATOM 1570 CE MET A 104 -7.570 -0.427 -11.554 1.00 0.00 C ATOM 0 H MET A 104 -8.522 -2.555 -6.574 1.00 0.00 H new ATOM 0 HA MET A 104 -5.728 -2.306 -6.666 1.00 0.00 H new ATOM 0 HB2 MET A 104 -6.069 -1.945 -9.041 1.00 0.00 H new ATOM 0 HB3 MET A 104 -7.175 -3.185 -8.484 1.00 0.00 H new ATOM 0 HG2 MET A 104 -9.011 -1.531 -8.397 1.00 0.00 H new ATOM 0 HG3 MET A 104 -7.911 -0.267 -8.910 1.00 0.00 H new ATOM 0 HE1 MET A 104 -7.683 -0.542 -12.632 1.00 0.00 H new ATOM 0 HE2 MET A 104 -7.974 0.538 -11.247 1.00 0.00 H new ATOM 0 HE3 MET A 104 -6.513 -0.477 -11.293 1.00 0.00 H new ATOM 1580 N TYR A 105 -7.402 0.523 -6.740 1.00 0.00 N ATOM 1581 CA TYR A 105 -7.270 1.970 -6.625 1.00 0.00 C ATOM 1582 C TYR A 105 -6.637 2.354 -5.291 1.00 0.00 C ATOM 1583 O TYR A 105 -5.743 3.200 -5.235 1.00 0.00 O ATOM 1584 CB TYR A 105 -8.637 2.641 -6.765 1.00 0.00 C ATOM 1585 CG TYR A 105 -8.609 4.132 -6.513 1.00 0.00 C ATOM 1586 CD1 TYR A 105 -8.258 5.020 -7.523 1.00 0.00 C ATOM 1587 CD2 TYR A 105 -8.931 4.652 -5.266 1.00 0.00 C ATOM 1588 CE1 TYR A 105 -8.230 6.383 -7.298 1.00 0.00 C ATOM 1589 CE2 TYR A 105 -8.907 6.014 -5.032 1.00 0.00 C ATOM 1590 CZ TYR A 105 -8.556 6.875 -6.051 1.00 0.00 C ATOM 1591 OH TYR A 105 -8.530 8.231 -5.822 1.00 0.00 O ATOM 0 H TYR A 105 -8.364 0.185 -6.722 1.00 0.00 H new ATOM 0 HA TYR A 105 -6.620 2.315 -7.429 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -9.021 2.458 -7.769 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.334 2.176 -6.067 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.003 4.638 -8.500 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.205 3.981 -4.466 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -7.955 7.059 -8.094 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.162 6.402 -4.057 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.769 8.451 -5.246 1.00 0.00 H new ATOM 1601 N LEU A 106 -7.106 1.727 -4.218 1.00 0.00 N ATOM 1602 CA LEU A 106 -6.586 2.001 -2.883 1.00 0.00 C ATOM 1603 C LEU A 106 -5.069 1.843 -2.846 1.00 0.00 C ATOM 1604 O LEU A 106 -4.353 2.737 -2.397 1.00 0.00 O ATOM 1605 CB LEU A 106 -7.232 1.065 -1.861 1.00 0.00 C ATOM 1606 CG LEU A 106 -8.708 1.323 -1.553 1.00 0.00 C ATOM 1607 CD1 LEU A 106 -9.375 0.058 -1.036 1.00 0.00 C ATOM 1608 CD2 LEU A 106 -8.853 2.455 -0.546 1.00 0.00 C ATOM 0 H LEU A 106 -7.846 1.025 -4.246 1.00 0.00 H new ATOM 0 HA LEU A 106 -6.832 3.032 -2.629 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -7.130 0.041 -2.221 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -6.670 1.133 -0.930 1.00 0.00 H new ATOM 0 HG LEU A 106 -9.205 1.619 -2.477 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -10.424 0.261 -0.822 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -9.303 -0.725 -1.790 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.876 -0.270 -0.124 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -9.910 2.625 -0.339 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.340 2.188 0.378 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -8.413 3.364 -0.955 1.00 0.00 H new ATOM 1620 N SER A 107 -4.586 0.700 -3.324 1.00 0.00 N ATOM 1621 CA SER A 107 -3.155 0.424 -3.344 1.00 0.00 C ATOM 1622 C SER A 107 -2.366 1.671 -3.731 1.00 0.00 C ATOM 1623 O SER A 107 -1.298 1.941 -3.182 1.00 0.00 O ATOM 1624 CB SER A 107 -2.847 -0.712 -4.322 1.00 0.00 C ATOM 1625 OG SER A 107 -2.956 -0.272 -5.665 1.00 0.00 O ATOM 0 H SER A 107 -5.165 -0.049 -3.702 1.00 0.00 H new ATOM 0 HA SER A 107 -2.854 0.122 -2.341 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.841 -1.090 -4.140 1.00 0.00 H new ATOM 0 HB3 SER A 107 -3.534 -1.540 -4.150 1.00 0.00 H new ATOM 0 HG SER A 107 -3.875 0.019 -5.840 1.00 0.00 H new ATOM 1631 N LYS A 108 -2.901 2.431 -4.682 1.00 0.00 N ATOM 1632 CA LYS A 108 -2.251 3.651 -5.143 1.00 0.00 C ATOM 1633 C LYS A 108 -1.721 4.464 -3.967 1.00 0.00 C ATOM 1634 O LYS A 108 -0.577 4.919 -3.979 1.00 0.00 O ATOM 1635 CB LYS A 108 -3.229 4.496 -5.962 1.00 0.00 C ATOM 1636 CG LYS A 108 -3.817 3.763 -7.155 1.00 0.00 C ATOM 1637 CD LYS A 108 -2.907 3.853 -8.368 1.00 0.00 C ATOM 1638 CE LYS A 108 -3.307 2.851 -9.440 1.00 0.00 C ATOM 1639 NZ LYS A 108 -4.630 3.179 -10.040 1.00 0.00 N ATOM 0 H LYS A 108 -3.784 2.222 -5.148 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.409 3.368 -5.774 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -4.041 4.827 -5.314 1.00 0.00 H new ATOM 0 HB3 LYS A 108 -2.716 5.391 -6.313 1.00 0.00 H new ATOM 0 HG2 LYS A 108 -3.978 2.716 -6.897 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -4.792 4.185 -7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 108 -2.945 4.862 -8.779 1.00 0.00 H new ATOM 0 HD3 LYS A 108 -1.876 3.671 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 108 -2.548 2.833 -10.222 1.00 0.00 H new ATOM 0 HE3 LYS A 108 -3.342 1.851 -9.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 -4.867 2.473 -10.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -5.359 3.171 -9.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 -4.589 4.123 -10.475 1.00 0.00 H new ATOM 1653 N PHE A 109 -2.559 4.641 -2.951 1.00 0.00 N ATOM 1654 CA PHE A 109 -2.174 5.399 -1.766 1.00 0.00 C ATOM 1655 C PHE A 109 -1.418 4.516 -0.777 1.00 0.00 C ATOM 1656 O PHE A 109 -0.336 4.873 -0.311 1.00 0.00 O ATOM 1657 CB PHE A 109 -3.412 5.995 -1.091 1.00 0.00 C ATOM 1658 CG PHE A 109 -4.194 6.918 -1.982 1.00 0.00 C ATOM 1659 CD1 PHE A 109 -3.569 7.969 -2.633 1.00 0.00 C ATOM 1660 CD2 PHE A 109 -5.555 6.734 -2.168 1.00 0.00 C ATOM 1661 CE1 PHE A 109 -4.286 8.819 -3.453 1.00 0.00 C ATOM 1662 CE2 PHE A 109 -6.277 7.581 -2.988 1.00 0.00 C ATOM 1663 CZ PHE A 109 -5.642 8.625 -3.630 1.00 0.00 C ATOM 0 H PHE A 109 -3.509 4.270 -2.924 1.00 0.00 H new ATOM 0 HA PHE A 109 -1.515 6.208 -2.081 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -4.062 5.185 -0.761 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -3.103 6.539 -0.199 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -2.509 8.126 -2.498 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -6.057 5.920 -1.667 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -3.787 9.634 -3.955 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -7.337 7.426 -3.126 1.00 0.00 H new ATOM 0 HZ PHE A 109 -6.204 9.289 -4.270 1.00 0.00 H new ATOM 1673 N TYR A 110 -1.997 3.363 -0.462 1.00 0.00 N ATOM 1674 CA TYR A 110 -1.380 2.429 0.473 1.00 0.00 C ATOM 1675 C TYR A 110 0.129 2.358 0.257 1.00 0.00 C ATOM 1676 O TYR A 110 0.910 2.565 1.186 1.00 0.00 O ATOM 1677 CB TYR A 110 -1.995 1.037 0.317 1.00 0.00 C ATOM 1678 CG TYR A 110 -1.363 -0.007 1.210 1.00 0.00 C ATOM 1679 CD1 TYR A 110 -1.809 -0.197 2.512 1.00 0.00 C ATOM 1680 CD2 TYR A 110 -0.321 -0.803 0.752 1.00 0.00 C ATOM 1681 CE1 TYR A 110 -1.235 -1.150 3.332 1.00 0.00 C ATOM 1682 CE2 TYR A 110 0.258 -1.759 1.564 1.00 0.00 C ATOM 1683 CZ TYR A 110 -0.202 -1.928 2.853 1.00 0.00 C ATOM 1684 OH TYR A 110 0.373 -2.878 3.665 1.00 0.00 O ATOM 0 H TYR A 110 -2.892 3.053 -0.840 1.00 0.00 H new ATOM 0 HA TYR A 110 -1.567 2.790 1.484 1.00 0.00 H new ATOM 0 HB2 TYR A 110 -3.061 1.093 0.536 1.00 0.00 H new ATOM 0 HB3 TYR A 110 -1.899 0.721 -0.722 1.00 0.00 H new ATOM 0 HD1 TYR A 110 -2.618 0.410 2.890 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.043 -0.672 -0.256 1.00 0.00 H new ATOM 0 HE1 TYR A 110 -1.593 -1.285 4.342 1.00 0.00 H new ATOM 0 HE2 TYR A 110 1.066 -2.371 1.191 1.00 0.00 H new ATOM 0 HH TYR A 110 0.412 -3.734 3.190 1.00 0.00 H new ATOM 1694 N GLU A 111 0.530 2.065 -0.976 1.00 0.00 N ATOM 1695 CA GLU A 111 1.945 1.966 -1.314 1.00 0.00 C ATOM 1696 C GLU A 111 2.661 3.287 -1.048 1.00 0.00 C ATOM 1697 O GLU A 111 3.615 3.344 -0.270 1.00 0.00 O ATOM 1698 CB GLU A 111 2.114 1.568 -2.782 1.00 0.00 C ATOM 1699 CG GLU A 111 1.690 0.140 -3.078 1.00 0.00 C ATOM 1700 CD GLU A 111 2.429 -0.455 -4.261 1.00 0.00 C ATOM 1701 OE1 GLU A 111 2.359 0.133 -5.361 1.00 0.00 O ATOM 1702 OE2 GLU A 111 3.078 -1.508 -4.087 1.00 0.00 O ATOM 0 H GLU A 111 -0.104 1.892 -1.756 1.00 0.00 H new ATOM 0 HA GLU A 111 2.391 1.197 -0.683 1.00 0.00 H new ATOM 0 HB2 GLU A 111 1.531 2.247 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 111 3.159 1.694 -3.066 1.00 0.00 H new ATOM 0 HG2 GLU A 111 1.866 -0.477 -2.197 1.00 0.00 H new ATOM 0 HG3 GLU A 111 0.618 0.117 -3.275 1.00 0.00 H new ATOM 1709 N LEU A 112 2.196 4.347 -1.700 1.00 0.00 N ATOM 1710 CA LEU A 112 2.792 5.669 -1.535 1.00 0.00 C ATOM 1711 C LEU A 112 3.046 5.972 -0.062 1.00 0.00 C ATOM 1712 O LEU A 112 4.186 6.179 0.353 1.00 0.00 O ATOM 1713 CB LEU A 112 1.881 6.739 -2.138 1.00 0.00 C ATOM 1714 CG LEU A 112 2.182 8.183 -1.733 1.00 0.00 C ATOM 1715 CD1 LEU A 112 3.460 8.669 -2.398 1.00 0.00 C ATOM 1716 CD2 LEU A 112 1.014 9.091 -2.089 1.00 0.00 C ATOM 0 H LEU A 112 1.409 4.317 -2.348 1.00 0.00 H new ATOM 0 HA LEU A 112 3.748 5.677 -2.058 1.00 0.00 H new ATOM 0 HB2 LEU A 112 1.940 6.668 -3.224 1.00 0.00 H new ATOM 0 HB3 LEU A 112 0.852 6.511 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 112 2.325 8.215 -0.653 1.00 0.00 H new ATOM 0 HD11 LEU A 112 3.658 9.698 -2.098 1.00 0.00 H new ATOM 0 HD12 LEU A 112 4.293 8.036 -2.092 1.00 0.00 H new ATOM 0 HD13 LEU A 112 3.347 8.622 -3.481 1.00 0.00 H new ATOM 0 HD21 LEU A 112 1.246 10.114 -1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 112 0.839 9.054 -3.164 1.00 0.00 H new ATOM 0 HD23 LEU A 112 0.119 8.756 -1.564 1.00 0.00 H new ATOM 1728 N PHE A 113 1.975 5.994 0.725 1.00 0.00 N ATOM 1729 CA PHE A 113 2.082 6.270 2.153 1.00 0.00 C ATOM 1730 C PHE A 113 3.004 5.263 2.835 1.00 0.00 C ATOM 1731 O PHE A 113 3.942 5.641 3.538 1.00 0.00 O ATOM 1732 CB PHE A 113 0.698 6.234 2.806 1.00 0.00 C ATOM 1733 CG PHE A 113 -0.103 7.484 2.581 1.00 0.00 C ATOM 1734 CD1 PHE A 113 0.423 8.726 2.897 1.00 0.00 C ATOM 1735 CD2 PHE A 113 -1.383 7.417 2.054 1.00 0.00 C ATOM 1736 CE1 PHE A 113 -0.313 9.878 2.692 1.00 0.00 C ATOM 1737 CE2 PHE A 113 -2.123 8.566 1.846 1.00 0.00 C ATOM 1738 CZ PHE A 113 -1.587 9.798 2.165 1.00 0.00 C ATOM 0 H PHE A 113 1.024 5.824 0.398 1.00 0.00 H new ATOM 0 HA PHE A 113 2.508 7.266 2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 113 0.143 5.381 2.416 1.00 0.00 H new ATOM 0 HB3 PHE A 113 0.815 6.075 3.878 1.00 0.00 H new ATOM 0 HD1 PHE A 113 1.419 8.795 3.308 1.00 0.00 H new ATOM 0 HD2 PHE A 113 -1.807 6.456 1.803 1.00 0.00 H new ATOM 0 HE1 PHE A 113 0.108 10.840 2.944 1.00 0.00 H new ATOM 0 HE2 PHE A 113 -3.119 8.500 1.434 1.00 0.00 H new ATOM 0 HZ PHE A 113 -2.163 10.697 2.003 1.00 0.00 H new ATOM 1748 N ARG A 114 2.731 3.980 2.621 1.00 0.00 N ATOM 1749 CA ARG A 114 3.534 2.919 3.216 1.00 0.00 C ATOM 1750 C ARG A 114 4.936 2.896 2.614 1.00 0.00 C ATOM 1751 O ARG A 114 5.134 2.428 1.493 1.00 0.00 O ATOM 1752 CB ARG A 114 2.857 1.562 3.011 1.00 0.00 C ATOM 1753 CG ARG A 114 3.307 0.501 4.002 1.00 0.00 C ATOM 1754 CD ARG A 114 3.028 -0.900 3.482 1.00 0.00 C ATOM 1755 NE ARG A 114 3.774 -1.190 2.260 1.00 0.00 N ATOM 1756 CZ ARG A 114 3.721 -2.356 1.626 1.00 0.00 C ATOM 1757 NH1 ARG A 114 2.961 -3.335 2.095 1.00 0.00 N ATOM 1758 NH2 ARG A 114 4.428 -2.543 0.519 1.00 0.00 N ATOM 0 H ARG A 114 1.960 3.650 2.040 1.00 0.00 H new ATOM 0 HA ARG A 114 3.619 3.117 4.284 1.00 0.00 H new ATOM 0 HB2 ARG A 114 1.777 1.688 3.092 1.00 0.00 H new ATOM 0 HB3 ARG A 114 3.062 1.212 1.999 1.00 0.00 H new ATOM 0 HG2 ARG A 114 4.374 0.612 4.197 1.00 0.00 H new ATOM 0 HG3 ARG A 114 2.793 0.647 4.952 1.00 0.00 H new ATOM 0 HD2 ARG A 114 3.290 -1.630 4.248 1.00 0.00 H new ATOM 0 HD3 ARG A 114 1.961 -1.009 3.289 1.00 0.00 H new ATOM 0 HE ARG A 114 4.368 -0.457 1.872 1.00 0.00 H new ATOM 0 HH11 ARG A 114 2.415 -3.194 2.945 1.00 0.00 H new ATOM 0 HH12 ARG A 114 2.922 -4.229 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 114 5.013 -1.791 0.154 1.00 0.00 H new ATOM 0 HH22 ARG A 114 4.387 -3.439 0.033 1.00 0.00 H new