USER MOD reduce.3.24.130724 H: found=0, std=0, add=993, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 978 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 123 CYS SG : rot -174:sc= -2.33 USER MOD Set 1.2: A 128 CYS SG : rot 90:sc= 0.569 USER MOD Set 1.3: A 141 HIS : no HE2:sc= -1.82 K(o=-11,f=-15) USER MOD Set 1.4: A 142 MET CE :methyl -146:sc= -1.18 (180deg=-0.0719) USER MOD Set 1.5: A 145 HIS : no HD1:sc= -6.17! K(o=-11!,f=-15) USER MOD Set 2.1: A 93 CYS SG : rot -169:sc= -0.799 USER MOD Set 2.2: A 98 CYS SG : rot 130:sc= -1.31 USER MOD Set 2.3: A 111 HIS : no HD1:sc= -2.05 X(o=-4.2,f=-4) USER MOD Set 3.1: A 60 CYS SG : rot -118:sc= 0.178 USER MOD Set 3.2: A 65 CYS SG : rot 103:sc= -1.52 USER MOD Set 3.3: A 81 HIS : no HE2:sc= -3.2! K(o=-5!,f=-6.6) USER MOD Set 3.4: A 85 HIS : no HE2:sc= -0.416 K(o=-5,f=-12!) USER MOD Set 4.1: A 16 CYS SG : rot 43:sc= -0.831! USER MOD Set 4.2: A 31 CYS SG : rot -59:sc= 0.585 USER MOD Set 4.3: A 44 HIS : no HD1:sc= -8.54! C(o=-21!,f=-24!) USER MOD Set 4.4: A 49 HIS : no HD1:sc= -12.1! C(o=-21!,f=-21!) USER MOD Set 5.1: A 38 MET CE :methyl -158:sc= -3.71! (180deg=-4.39!) USER MOD Set 5.2: A 86 THR OG1 : rot -50:sc= 0.295 USER MOD Set 6.1: A 17 LYS NZ :NH3+ -115:sc= 0.0187 (180deg=0) USER MOD Set 6.2: A 30 SER OG : rot 36:sc= 0.0191 USER MOD Single : A 12 GLN : amide:sc= -0.0537 X(o=-0.054,f=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -3.83 K(o=-3.8,f=-6.3!) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ -138:sc= -1.16 (180deg=-3.55!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= -1.49 USER MOD Single : A 39 HIS : no HD1:sc= -0.121 X(o=-0.12,f=-0.16) USER MOD Single : A 43 THR OG1 : rot 85:sc= 0.605 USER MOD Single : A 46 THR OG1 : rot 101:sc= 1.25 USER MOD Single : A 47 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 GLN : amide:sc= -1.43 K(o=-1.4,f=-0.033) USER MOD Single : A 56 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 57 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 58 HIS : no HD1:sc= -0.38 X(o=-0.38,f=-0.59) USER MOD Single : A 61 TYR OH : rot -174:sc= -1.77 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 91:sc= 1.26 USER MOD Single : A 73 LYS NZ :NH3+ -164:sc= 0 (180deg=-0.12) USER MOD Single : A 75 LYS NZ :NH3+ -172:sc= -2.07! (180deg=-2.33!) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= -1.51! X(o=-1.5!,f=-1.1) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 107 ASN : amide:sc= -2.11! C(o=-2.1!,f=-4.1!) USER MOD Single : A 109 LYS NZ :NH3+ 153:sc= -0.302 (180deg=-1.16) USER MOD Single : A 112 LYS NZ :NH3+ -148:sc= -0.281 (180deg=-1.33) USER MOD Single : A 122 LYS NZ :NH3+ -146:sc= -0.12 (180deg=-1.52!) USER MOD Single : A 134 ASN : amide:sc= -2.84! C(o=-2.8!,f=-13!) USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 143 HIS : no HD1:sc= -0.0629 X(o=-0.063,f=-0.0042) USER MOD ----------------------------------------------------------------- ATOM 138 N GLN A 12 -10.928 6.206 -33.906 1.00 0.00 N ATOM 139 CA GLN A 12 -10.338 5.901 -32.608 1.00 0.00 C ATOM 140 C GLN A 12 -10.640 7.004 -31.600 1.00 0.00 C ATOM 141 O GLN A 12 -10.549 8.190 -31.917 1.00 0.00 O ATOM 142 CB GLN A 12 -8.825 5.717 -32.742 1.00 0.00 C ATOM 143 CG GLN A 12 -8.045 7.019 -32.665 1.00 0.00 C ATOM 144 CD GLN A 12 -6.722 6.951 -33.403 1.00 0.00 C ATOM 145 OE1 GLN A 12 -6.363 7.868 -34.143 1.00 0.00 O ATOM 146 NE2 GLN A 12 -5.989 5.862 -33.205 1.00 0.00 N ATOM 0 HA GLN A 12 -10.779 4.972 -32.246 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.478 5.048 -31.955 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -8.609 5.230 -33.693 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -8.649 7.825 -33.082 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -7.861 7.267 -31.620 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -6.326 5.127 -32.583 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -5.089 5.760 -33.675 1.00 0.00 H new ATOM 155 N GLU A 13 -11.001 6.606 -30.384 1.00 0.00 N ATOM 156 CA GLU A 13 -11.318 7.562 -29.330 1.00 0.00 C ATOM 157 C GLU A 13 -10.065 7.941 -28.544 1.00 0.00 C ATOM 158 O GLU A 13 -9.276 7.078 -28.158 1.00 0.00 O ATOM 159 CB GLU A 13 -12.371 6.982 -28.383 1.00 0.00 C ATOM 160 CG GLU A 13 -13.798 7.192 -28.859 1.00 0.00 C ATOM 161 CD GLU A 13 -14.264 6.103 -29.806 1.00 0.00 C ATOM 162 OE1 GLU A 13 -14.379 4.941 -29.365 1.00 0.00 O ATOM 163 OE2 GLU A 13 -14.513 6.415 -30.990 1.00 0.00 O ATOM 0 H GLU A 13 -11.081 5.628 -30.105 1.00 0.00 H new ATOM 0 HA GLU A 13 -11.718 8.461 -29.799 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -12.190 5.914 -28.263 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -12.254 7.438 -27.400 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -14.463 7.227 -27.996 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -13.872 8.158 -29.358 1.00 0.00 H new ATOM 170 N LEU A 14 -9.890 9.237 -28.311 1.00 0.00 N ATOM 171 CA LEU A 14 -8.734 9.732 -27.572 1.00 0.00 C ATOM 172 C LEU A 14 -9.097 10.013 -26.118 1.00 0.00 C ATOM 173 O LEU A 14 -10.273 10.117 -25.770 1.00 0.00 O ATOM 174 CB LEU A 14 -8.189 11.002 -28.228 1.00 0.00 C ATOM 175 CG LEU A 14 -8.167 11.010 -29.757 1.00 0.00 C ATOM 176 CD1 LEU A 14 -7.825 12.398 -30.278 1.00 0.00 C ATOM 177 CD2 LEU A 14 -7.174 9.983 -30.282 1.00 0.00 C ATOM 0 H LEU A 14 -10.534 9.964 -28.623 1.00 0.00 H new ATOM 0 HA LEU A 14 -7.964 8.961 -27.593 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -8.787 11.848 -27.889 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -7.173 11.165 -27.869 1.00 0.00 H new ATOM 0 HG LEU A 14 -9.161 10.743 -30.117 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -7.814 12.385 -31.368 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.573 13.111 -29.931 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -6.843 12.694 -29.909 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -7.172 10.003 -31.372 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -6.176 10.220 -29.913 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -7.462 8.990 -29.938 1.00 0.00 H new ATOM 189 N SER A 15 -8.078 10.136 -25.272 1.00 0.00 N ATOM 190 CA SER A 15 -8.290 10.404 -23.854 1.00 0.00 C ATOM 191 C SER A 15 -7.384 11.533 -23.373 1.00 0.00 C ATOM 192 O SER A 15 -6.266 11.700 -23.863 1.00 0.00 O ATOM 193 CB SER A 15 -8.031 9.141 -23.031 1.00 0.00 C ATOM 194 OG SER A 15 -8.640 8.009 -23.627 1.00 0.00 O ATOM 0 H SER A 15 -7.098 10.054 -25.544 1.00 0.00 H new ATOM 0 HA SER A 15 -9.327 10.711 -23.718 1.00 0.00 H new ATOM 0 HB2 SER A 15 -6.957 8.975 -22.942 1.00 0.00 H new ATOM 0 HB3 SER A 15 -8.418 9.276 -22.021 1.00 0.00 H new ATOM 0 HG SER A 15 -8.458 7.215 -23.082 1.00 0.00 H new ATOM 200 N CYS A 16 -7.874 12.308 -22.411 1.00 0.00 N ATOM 201 CA CYS A 16 -7.111 13.422 -21.863 1.00 0.00 C ATOM 202 C CYS A 16 -7.361 13.567 -20.364 1.00 0.00 C ATOM 203 O CYS A 16 -8.418 14.036 -19.942 1.00 0.00 O ATOM 204 CB CYS A 16 -7.480 14.722 -22.580 1.00 0.00 C ATOM 205 SG CYS A 16 -6.991 16.231 -21.684 1.00 0.00 S ATOM 0 H CYS A 16 -8.797 12.184 -21.995 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.052 13.216 -22.019 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.010 14.728 -23.563 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.558 14.742 -22.742 1.00 0.00 H new ATOM 0 HG CYS A 16 -5.794 16.079 -21.199 1.00 0.00 H new ATOM 210 N LYS A 17 -6.380 13.161 -19.565 1.00 0.00 N ATOM 211 CA LYS A 17 -6.491 13.246 -18.114 1.00 0.00 C ATOM 212 C LYS A 17 -5.744 14.465 -17.582 1.00 0.00 C ATOM 213 O LYS A 17 -4.525 14.431 -17.411 1.00 0.00 O ATOM 214 CB LYS A 17 -5.941 11.974 -17.464 1.00 0.00 C ATOM 215 CG LYS A 17 -6.292 10.704 -18.220 1.00 0.00 C ATOM 216 CD LYS A 17 -7.783 10.617 -18.500 1.00 0.00 C ATOM 217 CE LYS A 17 -8.529 9.959 -17.349 1.00 0.00 C ATOM 218 NZ LYS A 17 -9.996 10.199 -17.429 1.00 0.00 N ATOM 0 H LYS A 17 -5.499 12.770 -19.898 1.00 0.00 H new ATOM 0 HA LYS A 17 -7.546 13.349 -17.861 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.857 12.054 -17.389 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -6.326 11.900 -16.447 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -5.742 10.675 -19.160 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -5.978 9.836 -17.640 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -8.182 11.617 -18.669 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -7.950 10.049 -19.415 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -8.336 8.886 -17.357 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -8.149 10.344 -16.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -10.298 10.774 -16.617 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -10.218 10.702 -18.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -10.498 9.288 -17.414 1.00 0.00 H new ATOM 232 N TRP A 18 -6.482 15.537 -17.321 1.00 0.00 N ATOM 233 CA TRP A 18 -5.888 16.767 -16.807 1.00 0.00 C ATOM 234 C TRP A 18 -6.236 16.965 -15.335 1.00 0.00 C ATOM 235 O TRP A 18 -7.410 16.988 -14.964 1.00 0.00 O ATOM 236 CB TRP A 18 -6.366 17.968 -17.623 1.00 0.00 C ATOM 237 CG TRP A 18 -5.642 19.238 -17.291 1.00 0.00 C ATOM 238 CD1 TRP A 18 -5.644 19.893 -16.093 1.00 0.00 C ATOM 239 CD2 TRP A 18 -4.811 20.005 -18.169 1.00 0.00 C ATOM 240 NE1 TRP A 18 -4.864 21.022 -16.173 1.00 0.00 N ATOM 241 CE2 TRP A 18 -4.342 21.113 -17.436 1.00 0.00 C ATOM 242 CE3 TRP A 18 -4.417 19.864 -19.502 1.00 0.00 C ATOM 243 CZ2 TRP A 18 -3.500 22.072 -17.994 1.00 0.00 C ATOM 244 CZ3 TRP A 18 -3.581 20.816 -20.054 1.00 0.00 C ATOM 245 CH2 TRP A 18 -3.130 21.908 -19.301 1.00 0.00 C ATOM 0 H TRP A 18 -7.492 15.581 -17.456 1.00 0.00 H new ATOM 0 HA TRP A 18 -4.805 16.684 -16.897 1.00 0.00 H new ATOM 0 HB2 TRP A 18 -6.238 17.752 -18.684 1.00 0.00 H new ATOM 0 HB3 TRP A 18 -7.433 18.112 -17.454 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -6.180 19.571 -15.212 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -4.700 21.684 -15.415 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -4.760 19.026 -20.091 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.152 22.915 -17.416 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -3.270 20.716 -21.083 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -2.477 22.635 -19.761 1.00 0.00 H new ATOM 256 N ILE A 19 -5.210 17.107 -14.503 1.00 0.00 N ATOM 257 CA ILE A 19 -5.409 17.305 -13.073 1.00 0.00 C ATOM 258 C ILE A 19 -4.746 18.594 -12.599 1.00 0.00 C ATOM 259 O ILE A 19 -3.520 18.704 -12.582 1.00 0.00 O ATOM 260 CB ILE A 19 -4.850 16.123 -12.258 1.00 0.00 C ATOM 261 CG1 ILE A 19 -5.287 14.795 -12.879 1.00 0.00 C ATOM 262 CG2 ILE A 19 -5.309 16.214 -10.811 1.00 0.00 C ATOM 263 CD1 ILE A 19 -5.074 13.604 -11.971 1.00 0.00 C ATOM 0 H ILE A 19 -4.233 17.089 -14.795 1.00 0.00 H new ATOM 0 HA ILE A 19 -6.485 17.372 -12.910 1.00 0.00 H new ATOM 0 HB ILE A 19 -3.761 16.170 -12.277 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -6.343 14.856 -13.142 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -4.736 14.638 -13.806 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -4.906 15.372 -10.248 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -4.952 17.147 -10.374 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -6.398 16.188 -10.772 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -5.406 12.697 -12.476 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -4.015 13.517 -11.728 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -5.647 13.739 -11.054 1.00 0.00 H new ATOM 275 N ASP A 20 -5.565 19.566 -12.212 1.00 0.00 N ATOM 276 CA ASP A 20 -5.058 20.847 -11.734 1.00 0.00 C ATOM 277 C ASP A 20 -4.812 20.807 -10.229 1.00 0.00 C ATOM 278 O ASP A 20 -5.616 20.261 -9.474 1.00 0.00 O ATOM 279 CB ASP A 20 -6.042 21.968 -12.073 1.00 0.00 C ATOM 280 CG ASP A 20 -5.519 23.336 -11.683 1.00 0.00 C ATOM 281 OD1 ASP A 20 -4.283 23.497 -11.599 1.00 0.00 O ATOM 282 OD2 ASP A 20 -6.345 24.246 -11.462 1.00 0.00 O ATOM 0 H ASP A 20 -6.582 19.491 -12.220 1.00 0.00 H new ATOM 0 HA ASP A 20 -4.109 21.043 -12.234 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -6.250 21.953 -13.143 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -6.987 21.785 -11.562 1.00 0.00 H new ATOM 287 N GLU A 21 -3.696 21.388 -9.801 1.00 0.00 N ATOM 288 CA GLU A 21 -3.345 21.416 -8.386 1.00 0.00 C ATOM 289 C GLU A 21 -4.154 22.477 -7.645 1.00 0.00 C ATOM 290 O GLU A 21 -4.398 22.361 -6.445 1.00 0.00 O ATOM 291 CB GLU A 21 -1.849 21.688 -8.214 1.00 0.00 C ATOM 292 CG GLU A 21 -0.970 20.854 -9.131 1.00 0.00 C ATOM 293 CD GLU A 21 -0.624 19.502 -8.537 1.00 0.00 C ATOM 294 OE1 GLU A 21 -1.524 18.863 -7.952 1.00 0.00 O ATOM 295 OE2 GLU A 21 0.546 19.083 -8.657 1.00 0.00 O ATOM 0 H GLU A 21 -3.020 21.845 -10.413 1.00 0.00 H new ATOM 0 HA GLU A 21 -3.581 20.441 -7.960 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -1.656 22.744 -8.402 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.569 21.492 -7.179 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -1.480 20.708 -10.083 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.051 21.400 -9.342 1.00 0.00 H new ATOM 302 N ALA A 22 -4.565 23.512 -8.370 1.00 0.00 N ATOM 303 CA ALA A 22 -5.347 24.593 -7.784 1.00 0.00 C ATOM 304 C ALA A 22 -6.827 24.229 -7.721 1.00 0.00 C ATOM 305 O ALA A 22 -7.679 25.094 -7.520 1.00 0.00 O ATOM 306 CB ALA A 22 -5.151 25.877 -8.576 1.00 0.00 C ATOM 0 H ALA A 22 -4.369 23.624 -9.365 1.00 0.00 H new ATOM 0 HA ALA A 22 -4.995 24.751 -6.765 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -5.741 26.675 -8.126 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -4.097 26.154 -8.564 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -5.474 25.722 -9.605 1.00 0.00 H new ATOM 312 N GLN A 23 -7.123 22.946 -7.896 1.00 0.00 N ATOM 313 CA GLN A 23 -8.501 22.469 -7.860 1.00 0.00 C ATOM 314 C GLN A 23 -8.982 22.300 -6.423 1.00 0.00 C ATOM 315 O GLN A 23 -8.181 22.104 -5.508 1.00 0.00 O ATOM 316 CB GLN A 23 -8.622 21.141 -8.610 1.00 0.00 C ATOM 317 CG GLN A 23 -8.125 19.945 -7.814 1.00 0.00 C ATOM 318 CD GLN A 23 -8.333 18.632 -8.543 1.00 0.00 C ATOM 319 OE1 GLN A 23 -9.416 18.047 -8.494 1.00 0.00 O ATOM 320 NE2 GLN A 23 -7.295 18.161 -9.224 1.00 0.00 N ATOM 0 H GLN A 23 -6.428 22.218 -8.064 1.00 0.00 H new ATOM 0 HA GLN A 23 -9.129 23.214 -8.348 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -9.666 20.979 -8.879 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -8.059 21.207 -9.541 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -7.064 20.072 -7.598 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -8.643 19.910 -6.856 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -6.416 18.679 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -7.376 17.281 -9.734 1.00 0.00 H new ATOM 329 N LEU A 24 -10.294 22.379 -6.230 1.00 0.00 N ATOM 330 CA LEU A 24 -10.882 22.236 -4.903 1.00 0.00 C ATOM 331 C LEU A 24 -11.609 20.901 -4.771 1.00 0.00 C ATOM 332 O LEU A 24 -12.114 20.561 -3.701 1.00 0.00 O ATOM 333 CB LEU A 24 -11.851 23.387 -4.626 1.00 0.00 C ATOM 334 CG LEU A 24 -12.035 23.771 -3.158 1.00 0.00 C ATOM 335 CD1 LEU A 24 -10.697 24.120 -2.526 1.00 0.00 C ATOM 336 CD2 LEU A 24 -13.008 24.933 -3.028 1.00 0.00 C ATOM 0 H LEU A 24 -10.971 22.541 -6.976 1.00 0.00 H new ATOM 0 HA LEU A 24 -10.076 22.264 -4.170 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -11.505 24.266 -5.170 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -12.825 23.122 -5.036 1.00 0.00 H new ATOM 0 HG LEU A 24 -12.451 22.914 -2.628 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -10.848 24.391 -1.481 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -10.031 23.259 -2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -10.252 24.961 -3.058 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -13.126 25.192 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -12.621 25.794 -3.573 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -13.975 24.646 -3.442 1.00 0.00 H new ATOM 348 N SER A 25 -11.656 20.148 -5.865 1.00 0.00 N ATOM 349 CA SER A 25 -12.322 18.851 -5.872 1.00 0.00 C ATOM 350 C SER A 25 -11.388 17.757 -5.364 1.00 0.00 C ATOM 351 O SER A 25 -10.255 17.629 -5.828 1.00 0.00 O ATOM 352 CB SER A 25 -12.805 18.510 -7.283 1.00 0.00 C ATOM 353 OG SER A 25 -13.149 19.681 -8.002 1.00 0.00 O ATOM 0 H SER A 25 -11.241 20.414 -6.758 1.00 0.00 H new ATOM 0 HA SER A 25 -13.182 18.909 -5.205 1.00 0.00 H new ATOM 0 HB2 SER A 25 -12.024 17.968 -7.817 1.00 0.00 H new ATOM 0 HB3 SER A 25 -13.669 17.848 -7.225 1.00 0.00 H new ATOM 0 HG SER A 25 -13.453 19.436 -8.901 1.00 0.00 H new ATOM 359 N ARG A 26 -11.871 16.972 -4.407 1.00 0.00 N ATOM 360 CA ARG A 26 -11.080 15.890 -3.834 1.00 0.00 C ATOM 361 C ARG A 26 -11.930 14.637 -3.641 1.00 0.00 C ATOM 362 O ARG A 26 -13.092 14.702 -3.239 1.00 0.00 O ATOM 363 CB ARG A 26 -10.479 16.322 -2.496 1.00 0.00 C ATOM 364 CG ARG A 26 -9.825 15.187 -1.726 1.00 0.00 C ATOM 365 CD ARG A 26 -8.322 15.150 -1.958 1.00 0.00 C ATOM 366 NE ARG A 26 -7.775 13.807 -1.786 1.00 0.00 N ATOM 367 CZ ARG A 26 -6.477 13.553 -1.661 1.00 0.00 C ATOM 368 NH1 ARG A 26 -5.598 14.546 -1.688 1.00 0.00 N ATOM 369 NH2 ARG A 26 -6.056 12.304 -1.508 1.00 0.00 N ATOM 0 H ARG A 26 -12.807 17.065 -4.012 1.00 0.00 H new ATOM 0 HA ARG A 26 -10.273 15.657 -4.529 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.739 17.102 -2.675 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -11.263 16.762 -1.881 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -10.027 15.304 -0.661 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -10.265 14.238 -2.031 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -8.102 15.505 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.831 15.833 -1.265 1.00 0.00 H new ATOM 0 HE ARG A 26 -8.425 13.021 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -5.918 15.507 -1.805 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -4.602 14.348 -1.592 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -6.729 11.538 -1.486 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -5.059 12.110 -1.412 1.00 0.00 H new ATOM 383 N PRO A 27 -11.339 13.470 -3.935 1.00 0.00 N ATOM 384 CA PRO A 27 -9.957 13.380 -4.415 1.00 0.00 C ATOM 385 C PRO A 27 -9.798 13.929 -5.829 1.00 0.00 C ATOM 386 O PRO A 27 -10.644 13.699 -6.694 1.00 0.00 O ATOM 387 CB PRO A 27 -9.669 11.877 -4.389 1.00 0.00 C ATOM 388 CG PRO A 27 -11.006 11.233 -4.519 1.00 0.00 C ATOM 389 CD PRO A 27 -11.975 12.146 -3.822 1.00 0.00 C ATOM 0 HA PRO A 27 -9.274 13.969 -3.803 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -9.008 11.586 -5.206 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -9.177 11.584 -3.462 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -11.277 11.104 -5.567 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -11.008 10.242 -4.065 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -12.956 12.129 -4.298 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -12.121 11.858 -2.781 1.00 0.00 H new ATOM 397 N LYS A 28 -8.709 14.654 -6.059 1.00 0.00 N ATOM 398 CA LYS A 28 -8.438 15.235 -7.368 1.00 0.00 C ATOM 399 C LYS A 28 -8.936 14.320 -8.483 1.00 0.00 C ATOM 400 O LYS A 28 -8.664 13.119 -8.483 1.00 0.00 O ATOM 401 CB LYS A 28 -6.938 15.489 -7.535 1.00 0.00 C ATOM 402 CG LYS A 28 -6.331 16.307 -6.409 1.00 0.00 C ATOM 403 CD LYS A 28 -5.178 17.166 -6.903 1.00 0.00 C ATOM 404 CE LYS A 28 -4.822 18.252 -5.898 1.00 0.00 C ATOM 405 NZ LYS A 28 -6.033 18.954 -5.388 1.00 0.00 N ATOM 0 H LYS A 28 -7.999 14.853 -5.355 1.00 0.00 H new ATOM 0 HA LYS A 28 -8.971 16.183 -7.434 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -6.421 14.532 -7.597 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -6.768 16.005 -8.480 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.097 16.944 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -5.978 15.640 -5.623 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -4.306 16.537 -7.085 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.446 17.624 -7.855 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -4.280 17.810 -5.062 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -4.153 18.975 -6.366 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -5.847 19.976 -5.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -6.832 18.778 -6.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -6.266 18.599 -4.439 1.00 0.00 H new ATOM 419 N LYS A 29 -9.666 14.895 -9.432 1.00 0.00 N ATOM 420 CA LYS A 29 -10.200 14.133 -10.555 1.00 0.00 C ATOM 421 C LYS A 29 -9.566 14.582 -11.868 1.00 0.00 C ATOM 422 O LYS A 29 -8.771 15.521 -11.895 1.00 0.00 O ATOM 423 CB LYS A 29 -11.720 14.294 -10.629 1.00 0.00 C ATOM 424 CG LYS A 29 -12.372 14.545 -9.280 1.00 0.00 C ATOM 425 CD LYS A 29 -12.496 13.263 -8.474 1.00 0.00 C ATOM 426 CE LYS A 29 -13.609 12.374 -9.008 1.00 0.00 C ATOM 427 NZ LYS A 29 -13.400 10.945 -8.646 1.00 0.00 N ATOM 0 H LYS A 29 -9.902 15.887 -9.446 1.00 0.00 H new ATOM 0 HA LYS A 29 -9.959 13.082 -10.397 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -11.957 15.122 -11.297 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -12.151 13.395 -11.070 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -11.784 15.272 -8.720 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -13.360 14.980 -9.428 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.551 12.721 -8.503 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -12.692 13.506 -7.430 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -14.566 12.713 -8.611 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -13.661 12.470 -10.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -14.180 10.372 -9.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.499 10.614 -9.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.375 10.849 -7.611 1.00 0.00 H new ATOM 441 N SER A 30 -9.925 13.905 -12.954 1.00 0.00 N ATOM 442 CA SER A 30 -9.389 14.233 -14.270 1.00 0.00 C ATOM 443 C SER A 30 -10.477 14.811 -15.171 1.00 0.00 C ATOM 444 O SER A 30 -11.648 14.446 -15.063 1.00 0.00 O ATOM 445 CB SER A 30 -8.781 12.989 -14.921 1.00 0.00 C ATOM 446 OG SER A 30 -9.582 11.845 -14.681 1.00 0.00 O ATOM 0 H SER A 30 -10.584 13.127 -12.949 1.00 0.00 H new ATOM 0 HA SER A 30 -8.610 14.985 -14.141 1.00 0.00 H new ATOM 0 HB2 SER A 30 -8.681 13.148 -15.995 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.778 12.823 -14.529 1.00 0.00 H new ATOM 0 HG SER A 30 -10.528 12.101 -14.686 1.00 0.00 H new ATOM 452 N CYS A 31 -10.081 15.715 -16.060 1.00 0.00 N ATOM 453 CA CYS A 31 -11.019 16.346 -16.980 1.00 0.00 C ATOM 454 C CYS A 31 -11.860 15.297 -17.703 1.00 0.00 C ATOM 455 O CYS A 31 -11.331 14.317 -18.228 1.00 0.00 O ATOM 456 CB CYS A 31 -10.268 17.205 -17.999 1.00 0.00 C ATOM 457 SG CYS A 31 -9.938 16.363 -19.581 1.00 0.00 S ATOM 0 H CYS A 31 -9.115 16.027 -16.163 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.685 16.984 -16.399 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -10.847 18.108 -18.194 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -9.320 17.522 -17.563 1.00 0.00 H new ATOM 0 HG CYS A 31 -9.232 15.293 -19.364 1.00 0.00 H new ATOM 462 N ASP A 32 -13.171 15.511 -17.726 1.00 0.00 N ATOM 463 CA ASP A 32 -14.085 14.586 -18.386 1.00 0.00 C ATOM 464 C ASP A 32 -14.385 15.042 -19.810 1.00 0.00 C ATOM 465 O ASP A 32 -15.072 16.041 -20.021 1.00 0.00 O ATOM 466 CB ASP A 32 -15.386 14.468 -17.590 1.00 0.00 C ATOM 467 CG ASP A 32 -16.140 13.189 -17.901 1.00 0.00 C ATOM 468 OD1 ASP A 32 -15.684 12.112 -17.466 1.00 0.00 O ATOM 469 OD2 ASP A 32 -17.185 13.267 -18.580 1.00 0.00 O ATOM 0 H ASP A 32 -13.625 16.317 -17.295 1.00 0.00 H new ATOM 0 HA ASP A 32 -13.605 13.608 -18.431 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -15.161 14.504 -16.524 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -16.023 15.325 -17.811 1.00 0.00 H new ATOM 474 N ARG A 33 -13.864 14.302 -20.784 1.00 0.00 N ATOM 475 CA ARG A 33 -14.074 14.632 -22.189 1.00 0.00 C ATOM 476 C ARG A 33 -13.439 13.581 -23.095 1.00 0.00 C ATOM 477 O ARG A 33 -12.611 12.783 -22.654 1.00 0.00 O ATOM 478 CB ARG A 33 -13.492 16.011 -22.504 1.00 0.00 C ATOM 479 CG ARG A 33 -14.070 16.644 -23.759 1.00 0.00 C ATOM 480 CD ARG A 33 -14.103 18.160 -23.654 1.00 0.00 C ATOM 481 NE ARG A 33 -14.655 18.781 -24.855 1.00 0.00 N ATOM 482 CZ ARG A 33 -15.957 18.905 -25.086 1.00 0.00 C ATOM 483 NH1 ARG A 33 -16.836 18.454 -24.202 1.00 0.00 N ATOM 484 NH2 ARG A 33 -16.382 19.481 -26.203 1.00 0.00 N ATOM 0 H ARG A 33 -13.294 13.471 -20.626 1.00 0.00 H new ATOM 0 HA ARG A 33 -15.148 14.647 -22.376 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -13.671 16.674 -21.657 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -12.411 15.923 -22.616 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.474 16.351 -24.623 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.079 16.268 -23.926 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -14.700 18.450 -22.789 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.093 18.533 -23.485 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.005 19.139 -25.555 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -16.513 18.011 -23.342 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -17.835 18.550 -24.382 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.709 19.829 -26.885 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -17.382 19.576 -26.379 1.00 0.00 H new ATOM 498 N THR A 34 -13.833 13.585 -24.365 1.00 0.00 N ATOM 499 CA THR A 34 -13.305 12.631 -25.332 1.00 0.00 C ATOM 500 C THR A 34 -13.349 13.200 -26.745 1.00 0.00 C ATOM 501 O THR A 34 -13.978 14.230 -26.991 1.00 0.00 O ATOM 502 CB THR A 34 -14.088 11.306 -25.299 1.00 0.00 C ATOM 503 OG1 THR A 34 -15.468 11.559 -25.012 1.00 0.00 O ATOM 504 CG2 THR A 34 -13.512 10.362 -24.254 1.00 0.00 C ATOM 0 H THR A 34 -14.516 14.239 -24.747 1.00 0.00 H new ATOM 0 HA THR A 34 -12.269 12.438 -25.053 1.00 0.00 H new ATOM 0 HB THR A 34 -14.002 10.835 -26.278 1.00 0.00 H new ATOM 0 HG1 THR A 34 -15.959 10.711 -24.995 1.00 0.00 H new ATOM 0 HG21 THR A 34 -14.082 9.433 -24.250 1.00 0.00 H new ATOM 0 HG22 THR A 34 -12.470 10.148 -24.492 1.00 0.00 H new ATOM 0 HG23 THR A 34 -13.571 10.828 -23.271 1.00 0.00 H new ATOM 512 N PHE A 35 -12.679 12.524 -27.672 1.00 0.00 N ATOM 513 CA PHE A 35 -12.643 12.963 -29.062 1.00 0.00 C ATOM 514 C PHE A 35 -12.429 11.779 -30.001 1.00 0.00 C ATOM 515 O PHE A 35 -12.132 10.668 -29.560 1.00 0.00 O ATOM 516 CB PHE A 35 -11.531 13.995 -29.264 1.00 0.00 C ATOM 517 CG PHE A 35 -11.572 15.121 -28.271 1.00 0.00 C ATOM 518 CD1 PHE A 35 -12.583 16.067 -28.317 1.00 0.00 C ATOM 519 CD2 PHE A 35 -10.598 15.234 -27.292 1.00 0.00 C ATOM 520 CE1 PHE A 35 -12.624 17.104 -27.405 1.00 0.00 C ATOM 521 CE2 PHE A 35 -10.634 16.269 -26.376 1.00 0.00 C ATOM 522 CZ PHE A 35 -11.647 17.206 -26.433 1.00 0.00 C ATOM 0 H PHE A 35 -12.153 11.670 -27.486 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.603 13.422 -29.297 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -10.565 13.495 -29.195 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -11.606 14.406 -30.271 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -13.349 15.993 -29.075 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -9.802 14.506 -27.244 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -13.419 17.834 -27.452 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -9.870 16.345 -25.616 1.00 0.00 H new ATOM 0 HZ PHE A 35 -11.676 18.016 -25.720 1.00 0.00 H new ATOM 532 N SER A 36 -12.582 12.024 -31.298 1.00 0.00 N ATOM 533 CA SER A 36 -12.411 10.979 -32.300 1.00 0.00 C ATOM 534 C SER A 36 -11.258 11.312 -33.242 1.00 0.00 C ATOM 535 O SER A 36 -10.737 10.441 -33.939 1.00 0.00 O ATOM 536 CB SER A 36 -13.701 10.794 -33.101 1.00 0.00 C ATOM 537 OG SER A 36 -14.783 10.447 -32.253 1.00 0.00 O ATOM 0 H SER A 36 -12.824 12.938 -31.680 1.00 0.00 H new ATOM 0 HA SER A 36 -12.177 10.049 -31.782 1.00 0.00 H new ATOM 0 HB2 SER A 36 -13.935 11.714 -33.637 1.00 0.00 H new ATOM 0 HB3 SER A 36 -13.559 10.016 -33.851 1.00 0.00 H new ATOM 0 HG SER A 36 -15.596 10.336 -32.789 1.00 0.00 H new ATOM 543 N THR A 37 -10.863 12.582 -33.257 1.00 0.00 N ATOM 544 CA THR A 37 -9.773 13.033 -34.113 1.00 0.00 C ATOM 545 C THR A 37 -8.640 13.634 -33.290 1.00 0.00 C ATOM 546 O THR A 37 -8.841 14.044 -32.147 1.00 0.00 O ATOM 547 CB THR A 37 -10.258 14.076 -35.138 1.00 0.00 C ATOM 548 OG1 THR A 37 -10.461 15.338 -34.492 1.00 0.00 O ATOM 549 CG2 THR A 37 -11.551 13.624 -35.799 1.00 0.00 C ATOM 0 H THR A 37 -11.282 13.316 -32.686 1.00 0.00 H new ATOM 0 HA THR A 37 -9.405 12.156 -34.645 1.00 0.00 H new ATOM 0 HB THR A 37 -9.493 14.181 -35.908 1.00 0.00 H new ATOM 0 HG1 THR A 37 -10.768 15.997 -35.150 1.00 0.00 H new ATOM 0 HG21 THR A 37 -11.874 14.376 -36.519 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.385 12.677 -36.313 1.00 0.00 H new ATOM 0 HG23 THR A 37 -12.322 13.494 -35.039 1.00 0.00 H new ATOM 557 N MET A 38 -7.449 13.684 -33.877 1.00 0.00 N ATOM 558 CA MET A 38 -6.284 14.237 -33.197 1.00 0.00 C ATOM 559 C MET A 38 -6.481 15.721 -32.903 1.00 0.00 C ATOM 560 O MET A 38 -6.384 16.154 -31.754 1.00 0.00 O ATOM 561 CB MET A 38 -5.028 14.036 -34.047 1.00 0.00 C ATOM 562 CG MET A 38 -3.734 14.165 -33.259 1.00 0.00 C ATOM 563 SD MET A 38 -3.437 12.755 -32.176 1.00 0.00 S ATOM 564 CE MET A 38 -3.630 13.516 -30.566 1.00 0.00 C ATOM 0 H MET A 38 -7.265 13.348 -34.822 1.00 0.00 H new ATOM 0 HA MET A 38 -6.162 13.710 -32.251 1.00 0.00 H new ATOM 0 HB2 MET A 38 -5.066 13.049 -34.509 1.00 0.00 H new ATOM 0 HB3 MET A 38 -5.026 14.767 -34.856 1.00 0.00 H new ATOM 0 HG2 MET A 38 -2.899 14.268 -33.953 1.00 0.00 H new ATOM 0 HG3 MET A 38 -3.766 15.076 -32.662 1.00 0.00 H new ATOM 0 HE1 MET A 38 -3.114 12.917 -29.816 1.00 0.00 H new ATOM 0 HE2 MET A 38 -3.205 14.519 -30.584 1.00 0.00 H new ATOM 0 HE3 MET A 38 -4.689 13.576 -30.316 1.00 0.00 H new ATOM 574 N HIS A 39 -6.757 16.496 -33.947 1.00 0.00 N ATOM 575 CA HIS A 39 -6.968 17.932 -33.799 1.00 0.00 C ATOM 576 C HIS A 39 -7.885 18.227 -32.617 1.00 0.00 C ATOM 577 O HIS A 39 -7.704 19.220 -31.913 1.00 0.00 O ATOM 578 CB HIS A 39 -7.564 18.515 -35.081 1.00 0.00 C ATOM 579 CG HIS A 39 -7.520 20.012 -35.134 1.00 0.00 C ATOM 580 ND1 HIS A 39 -6.458 20.751 -34.659 1.00 0.00 N ATOM 581 CD2 HIS A 39 -8.416 20.907 -35.612 1.00 0.00 C ATOM 582 CE1 HIS A 39 -6.703 22.037 -34.840 1.00 0.00 C ATOM 583 NE2 HIS A 39 -7.885 22.158 -35.417 1.00 0.00 N ATOM 0 H HIS A 39 -6.840 16.154 -34.904 1.00 0.00 H new ATOM 0 HA HIS A 39 -6.002 18.400 -33.611 1.00 0.00 H new ATOM 0 HB2 HIS A 39 -7.024 18.113 -35.939 1.00 0.00 H new ATOM 0 HB3 HIS A 39 -8.599 18.186 -35.173 1.00 0.00 H new ATOM 0 HD2 HIS A 39 -9.371 20.679 -36.063 1.00 0.00 H new ATOM 0 HE1 HIS A 39 -6.048 22.850 -34.563 1.00 0.00 H new ATOM 0 HE2 HIS A 39 -8.331 23.038 -35.676 1.00 0.00 H new ATOM 591 N GLU A 40 -8.870 17.360 -32.407 1.00 0.00 N ATOM 592 CA GLU A 40 -9.817 17.530 -31.311 1.00 0.00 C ATOM 593 C GLU A 40 -9.098 17.520 -29.965 1.00 0.00 C ATOM 594 O GLU A 40 -9.338 18.377 -29.113 1.00 0.00 O ATOM 595 CB GLU A 40 -10.875 16.426 -31.345 1.00 0.00 C ATOM 596 CG GLU A 40 -11.905 16.603 -32.448 1.00 0.00 C ATOM 597 CD GLU A 40 -13.052 17.505 -32.036 1.00 0.00 C ATOM 598 OE1 GLU A 40 -12.781 18.598 -31.495 1.00 0.00 O ATOM 599 OE2 GLU A 40 -14.219 17.119 -32.254 1.00 0.00 O ATOM 0 H GLU A 40 -9.033 16.533 -32.981 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.307 18.496 -31.435 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.380 15.464 -31.473 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -11.387 16.395 -30.383 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.419 17.020 -33.330 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -12.299 15.627 -32.732 1.00 0.00 H new ATOM 606 N LEU A 41 -8.216 16.543 -29.780 1.00 0.00 N ATOM 607 CA LEU A 41 -7.461 16.419 -28.537 1.00 0.00 C ATOM 608 C LEU A 41 -6.557 17.629 -28.327 1.00 0.00 C ATOM 609 O LEU A 41 -6.642 18.311 -27.305 1.00 0.00 O ATOM 610 CB LEU A 41 -6.624 15.139 -28.552 1.00 0.00 C ATOM 611 CG LEU A 41 -5.665 14.951 -27.376 1.00 0.00 C ATOM 612 CD1 LEU A 41 -6.424 14.984 -26.058 1.00 0.00 C ATOM 613 CD2 LEU A 41 -4.896 13.646 -27.518 1.00 0.00 C ATOM 0 H LEU A 41 -8.006 15.826 -30.474 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.171 16.372 -27.712 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -7.302 14.286 -28.582 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -6.044 15.119 -29.475 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.949 15.773 -27.381 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -5.725 14.849 -25.232 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -6.929 15.944 -25.953 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -7.163 14.183 -26.043 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.218 13.529 -26.672 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -5.597 12.811 -27.540 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.321 13.661 -28.444 1.00 0.00 H new ATOM 625 N VAL A 42 -5.692 17.892 -29.301 1.00 0.00 N ATOM 626 CA VAL A 42 -4.773 19.022 -29.224 1.00 0.00 C ATOM 627 C VAL A 42 -5.526 20.326 -28.982 1.00 0.00 C ATOM 628 O VAL A 42 -5.212 21.074 -28.056 1.00 0.00 O ATOM 629 CB VAL A 42 -3.939 19.155 -30.511 1.00 0.00 C ATOM 630 CG1 VAL A 42 -3.083 20.412 -30.465 1.00 0.00 C ATOM 631 CG2 VAL A 42 -3.075 17.920 -30.716 1.00 0.00 C ATOM 0 H VAL A 42 -5.608 17.338 -30.153 1.00 0.00 H new ATOM 0 HA VAL A 42 -4.104 18.830 -28.385 1.00 0.00 H new ATOM 0 HB VAL A 42 -4.620 19.238 -31.358 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.500 20.489 -31.383 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -3.726 21.287 -30.369 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.408 20.362 -29.610 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.492 18.031 -31.630 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -2.400 17.803 -29.868 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.712 17.039 -30.797 1.00 0.00 H new ATOM 641 N THR A 43 -6.522 20.593 -29.821 1.00 0.00 N ATOM 642 CA THR A 43 -7.319 21.806 -29.699 1.00 0.00 C ATOM 643 C THR A 43 -7.939 21.920 -28.311 1.00 0.00 C ATOM 644 O THR A 43 -8.218 23.020 -27.832 1.00 0.00 O ATOM 645 CB THR A 43 -8.440 21.851 -30.754 1.00 0.00 C ATOM 646 OG1 THR A 43 -7.875 21.984 -32.063 1.00 0.00 O ATOM 647 CG2 THR A 43 -9.391 23.008 -30.486 1.00 0.00 C ATOM 0 H THR A 43 -6.796 19.985 -30.593 1.00 0.00 H new ATOM 0 HA THR A 43 -6.643 22.645 -29.862 1.00 0.00 H new ATOM 0 HB THR A 43 -9.002 20.919 -30.694 1.00 0.00 H new ATOM 0 HG1 THR A 43 -7.629 21.099 -32.405 1.00 0.00 H new ATOM 0 HG21 THR A 43 -10.174 23.019 -31.244 1.00 0.00 H new ATOM 0 HG22 THR A 43 -9.842 22.888 -29.501 1.00 0.00 H new ATOM 0 HG23 THR A 43 -8.840 23.948 -30.520 1.00 0.00 H new ATOM 655 N HIS A 44 -8.153 20.776 -27.668 1.00 0.00 N ATOM 656 CA HIS A 44 -8.740 20.748 -26.333 1.00 0.00 C ATOM 657 C HIS A 44 -7.675 20.989 -25.266 1.00 0.00 C ATOM 658 O HIS A 44 -7.733 21.973 -24.529 1.00 0.00 O ATOM 659 CB HIS A 44 -9.431 19.407 -26.085 1.00 0.00 C ATOM 660 CG HIS A 44 -9.739 19.149 -24.642 1.00 0.00 C ATOM 661 ND1 HIS A 44 -10.930 19.514 -24.050 1.00 0.00 N ATOM 662 CD2 HIS A 44 -9.004 18.558 -23.672 1.00 0.00 C ATOM 663 CE1 HIS A 44 -10.913 19.159 -22.777 1.00 0.00 C ATOM 664 NE2 HIS A 44 -9.756 18.577 -22.522 1.00 0.00 N ATOM 0 H HIS A 44 -7.929 19.857 -28.050 1.00 0.00 H new ATOM 0 HA HIS A 44 -9.479 21.547 -26.271 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -10.358 19.374 -26.657 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -8.796 18.605 -26.461 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.011 18.148 -23.781 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -11.710 19.318 -22.066 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.467 18.202 -21.618 1.00 0.00 H new ATOM 672 N VAL A 45 -6.704 20.084 -25.191 1.00 0.00 N ATOM 673 CA VAL A 45 -5.627 20.199 -24.215 1.00 0.00 C ATOM 674 C VAL A 45 -4.929 21.549 -24.324 1.00 0.00 C ATOM 675 O VAL A 45 -4.287 22.008 -23.378 1.00 0.00 O ATOM 676 CB VAL A 45 -4.585 19.078 -24.395 1.00 0.00 C ATOM 677 CG1 VAL A 45 -3.492 19.192 -23.344 1.00 0.00 C ATOM 678 CG2 VAL A 45 -5.255 17.714 -24.334 1.00 0.00 C ATOM 0 H VAL A 45 -6.641 19.264 -25.794 1.00 0.00 H new ATOM 0 HA VAL A 45 -6.082 20.107 -23.229 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.124 19.187 -25.377 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -2.765 18.392 -23.487 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.994 20.157 -23.440 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.933 19.109 -22.350 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.505 16.934 -24.463 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.743 17.591 -23.367 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.998 17.638 -25.128 1.00 0.00 H new ATOM 688 N THR A 46 -5.057 22.184 -25.485 1.00 0.00 N ATOM 689 CA THR A 46 -4.438 23.483 -25.719 1.00 0.00 C ATOM 690 C THR A 46 -5.402 24.618 -25.395 1.00 0.00 C ATOM 691 O THR A 46 -5.099 25.489 -24.580 1.00 0.00 O ATOM 692 CB THR A 46 -3.966 23.626 -27.178 1.00 0.00 C ATOM 693 OG1 THR A 46 -3.165 22.498 -27.547 1.00 0.00 O ATOM 694 CG2 THR A 46 -3.166 24.906 -27.365 1.00 0.00 C ATOM 0 H THR A 46 -5.584 21.819 -26.278 1.00 0.00 H new ATOM 0 HA THR A 46 -3.574 23.545 -25.058 1.00 0.00 H new ATOM 0 HB THR A 46 -4.847 23.670 -27.819 1.00 0.00 H new ATOM 0 HG1 THR A 46 -3.702 21.876 -28.080 1.00 0.00 H new ATOM 0 HG21 THR A 46 -2.843 24.985 -28.403 1.00 0.00 H new ATOM 0 HG22 THR A 46 -3.788 25.764 -27.112 1.00 0.00 H new ATOM 0 HG23 THR A 46 -2.292 24.887 -26.714 1.00 0.00 H new ATOM 702 N MET A 47 -6.566 24.602 -26.037 1.00 0.00 N ATOM 703 CA MET A 47 -7.575 25.630 -25.815 1.00 0.00 C ATOM 704 C MET A 47 -8.490 25.252 -24.654 1.00 0.00 C ATOM 705 O MET A 47 -8.718 26.052 -23.747 1.00 0.00 O ATOM 706 CB MET A 47 -8.404 25.844 -27.083 1.00 0.00 C ATOM 707 CG MET A 47 -7.571 25.881 -28.354 1.00 0.00 C ATOM 708 SD MET A 47 -8.433 26.673 -29.726 1.00 0.00 S ATOM 709 CE MET A 47 -7.118 27.671 -30.421 1.00 0.00 C ATOM 0 H MET A 47 -6.833 23.888 -26.715 1.00 0.00 H new ATOM 0 HA MET A 47 -7.062 26.558 -25.564 1.00 0.00 H new ATOM 0 HB2 MET A 47 -9.141 25.045 -27.165 1.00 0.00 H new ATOM 0 HB3 MET A 47 -8.956 26.779 -26.993 1.00 0.00 H new ATOM 0 HG2 MET A 47 -6.640 26.414 -28.159 1.00 0.00 H new ATOM 0 HG3 MET A 47 -7.302 24.863 -28.638 1.00 0.00 H new ATOM 0 HE1 MET A 47 -7.496 28.223 -31.281 1.00 0.00 H new ATOM 0 HE2 MET A 47 -6.758 28.373 -29.669 1.00 0.00 H new ATOM 0 HE3 MET A 47 -6.299 27.025 -30.736 1.00 0.00 H new ATOM 719 N GLU A 48 -9.009 24.029 -24.690 1.00 0.00 N ATOM 720 CA GLU A 48 -9.900 23.547 -23.640 1.00 0.00 C ATOM 721 C GLU A 48 -9.132 23.308 -22.343 1.00 0.00 C ATOM 722 O GLU A 48 -9.692 22.829 -21.356 1.00 0.00 O ATOM 723 CB GLU A 48 -10.592 22.256 -24.081 1.00 0.00 C ATOM 724 CG GLU A 48 -11.477 22.426 -25.304 1.00 0.00 C ATOM 725 CD GLU A 48 -12.839 22.998 -24.964 1.00 0.00 C ATOM 726 OE1 GLU A 48 -12.977 24.238 -24.952 1.00 0.00 O ATOM 727 OE2 GLU A 48 -13.769 22.202 -24.710 1.00 0.00 O ATOM 0 H GLU A 48 -8.829 23.354 -25.433 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.655 24.312 -23.460 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.834 21.502 -24.294 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -11.196 21.877 -23.256 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -10.980 23.082 -26.019 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -11.605 21.460 -25.793 1.00 0.00 H new ATOM 734 N HIS A 49 -7.846 23.646 -22.352 1.00 0.00 N ATOM 735 CA HIS A 49 -7.001 23.468 -21.177 1.00 0.00 C ATOM 736 C HIS A 49 -6.002 24.614 -21.048 1.00 0.00 C ATOM 737 O HIS A 49 -6.148 25.486 -20.191 1.00 0.00 O ATOM 738 CB HIS A 49 -6.257 22.134 -21.254 1.00 0.00 C ATOM 739 CG HIS A 49 -6.940 21.025 -20.516 1.00 0.00 C ATOM 740 ND1 HIS A 49 -7.750 21.236 -19.420 1.00 0.00 N ATOM 741 CD2 HIS A 49 -6.932 19.687 -20.723 1.00 0.00 C ATOM 742 CE1 HIS A 49 -8.209 20.076 -18.984 1.00 0.00 C ATOM 743 NE2 HIS A 49 -7.727 19.120 -19.758 1.00 0.00 N ATOM 0 H HIS A 49 -7.367 24.044 -23.160 1.00 0.00 H new ATOM 0 HA HIS A 49 -7.643 23.467 -20.296 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -6.146 21.849 -22.300 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -5.253 22.264 -20.851 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.399 19.163 -21.503 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -8.866 19.934 -18.139 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -7.915 18.123 -19.655 1.00 0.00 H new ATOM 751 N VAL A 50 -4.986 24.607 -21.906 1.00 0.00 N ATOM 752 CA VAL A 50 -3.963 25.645 -21.888 1.00 0.00 C ATOM 753 C VAL A 50 -4.526 26.979 -22.365 1.00 0.00 C ATOM 754 O VAL A 50 -3.829 27.993 -22.371 1.00 0.00 O ATOM 755 CB VAL A 50 -2.760 25.263 -22.772 1.00 0.00 C ATOM 756 CG1 VAL A 50 -1.823 26.449 -22.939 1.00 0.00 C ATOM 757 CG2 VAL A 50 -2.024 24.070 -22.181 1.00 0.00 C ATOM 0 H VAL A 50 -4.850 23.894 -22.622 1.00 0.00 H new ATOM 0 HA VAL A 50 -3.629 25.743 -20.855 1.00 0.00 H new ATOM 0 HB VAL A 50 -3.129 24.981 -23.758 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.979 26.161 -23.566 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -2.360 27.273 -23.409 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -1.458 26.764 -21.962 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -1.177 23.813 -22.817 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.665 24.322 -21.183 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -2.702 23.219 -22.118 1.00 0.00 H new ATOM 767 N GLY A 51 -5.795 26.972 -22.763 1.00 0.00 N ATOM 768 CA GLY A 51 -6.431 28.187 -23.236 1.00 0.00 C ATOM 769 C GLY A 51 -5.867 28.660 -24.561 1.00 0.00 C ATOM 770 O GLY A 51 -5.194 27.905 -25.262 1.00 0.00 O ATOM 0 H GLY A 51 -6.394 26.146 -22.766 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -7.502 28.015 -23.342 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -6.306 28.972 -22.491 1.00 0.00 H new ATOM 774 N GLY A 52 -6.144 29.913 -24.908 1.00 0.00 N ATOM 775 CA GLY A 52 -5.653 30.463 -26.158 1.00 0.00 C ATOM 776 C GLY A 52 -4.408 31.307 -25.971 1.00 0.00 C ATOM 777 O GLY A 52 -3.689 31.181 -24.979 1.00 0.00 O ATOM 0 H GLY A 52 -6.700 30.557 -24.346 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -5.436 29.649 -26.849 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -6.434 31.070 -26.616 1.00 0.00 H new ATOM 781 N PRO A 53 -4.137 32.192 -26.942 1.00 0.00 N ATOM 782 CA PRO A 53 -2.969 33.077 -26.903 1.00 0.00 C ATOM 783 C PRO A 53 -3.090 34.149 -25.826 1.00 0.00 C ATOM 784 O PRO A 53 -2.092 34.732 -25.404 1.00 0.00 O ATOM 785 CB PRO A 53 -2.962 33.716 -28.294 1.00 0.00 C ATOM 786 CG PRO A 53 -4.380 33.654 -28.747 1.00 0.00 C ATOM 787 CD PRO A 53 -4.950 32.397 -28.153 1.00 0.00 C ATOM 0 HA PRO A 53 -2.055 32.535 -26.663 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -2.604 34.745 -28.255 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -2.305 33.175 -28.975 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -4.935 34.530 -28.412 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -4.441 33.634 -29.835 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -6.007 32.510 -27.913 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -4.867 31.555 -28.840 1.00 0.00 H new ATOM 795 N GLU A 54 -4.318 34.403 -25.385 1.00 0.00 N ATOM 796 CA GLU A 54 -4.568 35.406 -24.356 1.00 0.00 C ATOM 797 C GLU A 54 -3.911 35.008 -23.037 1.00 0.00 C ATOM 798 O GLU A 54 -3.030 35.705 -22.536 1.00 0.00 O ATOM 799 CB GLU A 54 -6.072 35.596 -24.152 1.00 0.00 C ATOM 800 CG GLU A 54 -6.417 36.586 -23.053 1.00 0.00 C ATOM 801 CD GLU A 54 -6.229 38.027 -23.486 1.00 0.00 C ATOM 802 OE1 GLU A 54 -5.138 38.357 -23.995 1.00 0.00 O ATOM 803 OE2 GLU A 54 -7.175 38.825 -23.316 1.00 0.00 O ATOM 0 H GLU A 54 -5.155 33.928 -25.724 1.00 0.00 H new ATOM 0 HA GLU A 54 -4.132 36.348 -24.690 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -6.517 35.935 -25.088 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -6.523 34.632 -23.916 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -7.452 36.435 -22.745 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -5.793 36.388 -22.182 1.00 0.00 H new ATOM 810 N GLN A 55 -4.348 33.882 -22.482 1.00 0.00 N ATOM 811 CA GLN A 55 -3.803 33.392 -21.221 1.00 0.00 C ATOM 812 C GLN A 55 -2.309 33.679 -21.125 1.00 0.00 C ATOM 813 O GLN A 55 -1.524 33.218 -21.952 1.00 0.00 O ATOM 814 CB GLN A 55 -4.055 31.889 -21.082 1.00 0.00 C ATOM 815 CG GLN A 55 -5.495 31.543 -20.739 1.00 0.00 C ATOM 816 CD GLN A 55 -5.738 31.472 -19.245 1.00 0.00 C ATOM 817 OE1 GLN A 55 -6.675 30.817 -18.787 1.00 0.00 O ATOM 818 NE2 GLN A 55 -4.893 32.147 -18.474 1.00 0.00 N ATOM 0 H GLN A 55 -5.077 33.293 -22.885 1.00 0.00 H new ATOM 0 HA GLN A 55 -4.308 33.915 -20.409 1.00 0.00 H new ATOM 0 HB2 GLN A 55 -3.784 31.396 -22.015 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -3.400 31.489 -20.308 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -6.158 32.290 -21.176 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -5.752 30.585 -21.191 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -4.130 32.677 -18.895 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -5.007 32.135 -17.460 1.00 0.00 H new ATOM 827 N ASN A 56 -1.923 34.445 -20.110 1.00 0.00 N ATOM 828 CA ASN A 56 -0.522 34.796 -19.906 1.00 0.00 C ATOM 829 C ASN A 56 0.258 33.612 -19.340 1.00 0.00 C ATOM 830 O ASN A 56 1.050 32.985 -20.042 1.00 0.00 O ATOM 831 CB ASN A 56 -0.406 35.995 -18.963 1.00 0.00 C ATOM 832 CG ASN A 56 1.035 36.391 -18.706 1.00 0.00 C ATOM 833 OD1 ASN A 56 1.680 35.874 -17.793 1.00 0.00 O ATOM 834 ND2 ASN A 56 1.547 37.314 -19.512 1.00 0.00 N ATOM 0 H ASN A 56 -2.561 34.835 -19.416 1.00 0.00 H new ATOM 0 HA ASN A 56 -0.095 35.061 -20.873 1.00 0.00 H new ATOM 0 HB2 ASN A 56 -0.942 36.843 -19.390 1.00 0.00 H new ATOM 0 HB3 ASN A 56 -0.889 35.757 -18.015 1.00 0.00 H new ATOM 0 HD21 ASN A 56 2.512 37.622 -19.387 1.00 0.00 H new ATOM 0 HD22 ASN A 56 0.976 37.715 -20.256 1.00 0.00 H new ATOM 841 N ASN A 57 0.027 33.313 -18.066 1.00 0.00 N ATOM 842 CA ASN A 57 0.707 32.205 -17.406 1.00 0.00 C ATOM 843 C ASN A 57 0.050 30.874 -17.760 1.00 0.00 C ATOM 844 O ASN A 57 -0.931 30.469 -17.136 1.00 0.00 O ATOM 845 CB ASN A 57 0.697 32.404 -15.889 1.00 0.00 C ATOM 846 CG ASN A 57 1.809 31.640 -15.198 1.00 0.00 C ATOM 847 OD1 ASN A 57 2.983 31.997 -15.306 1.00 0.00 O ATOM 848 ND2 ASN A 57 1.445 30.583 -14.482 1.00 0.00 N ATOM 0 H ASN A 57 -0.626 33.822 -17.470 1.00 0.00 H new ATOM 0 HA ASN A 57 1.739 32.185 -17.756 1.00 0.00 H new ATOM 0 HB2 ASN A 57 0.795 33.466 -15.664 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -0.264 32.081 -15.489 1.00 0.00 H new ATOM 0 HD21 ASN A 57 2.150 30.030 -13.994 1.00 0.00 H new ATOM 0 HD22 ASN A 57 0.461 30.323 -14.420 1.00 0.00 H new ATOM 855 N HIS A 58 0.598 30.199 -18.765 1.00 0.00 N ATOM 856 CA HIS A 58 0.066 28.913 -19.201 1.00 0.00 C ATOM 857 C HIS A 58 0.841 27.761 -18.569 1.00 0.00 C ATOM 858 O HIS A 58 2.070 27.721 -18.626 1.00 0.00 O ATOM 859 CB HIS A 58 0.123 28.804 -20.725 1.00 0.00 C ATOM 860 CG HIS A 58 1.296 29.509 -21.333 1.00 0.00 C ATOM 861 ND1 HIS A 58 1.175 30.646 -22.103 1.00 0.00 N ATOM 862 CD2 HIS A 58 2.620 29.233 -21.278 1.00 0.00 C ATOM 863 CE1 HIS A 58 2.374 31.038 -22.498 1.00 0.00 C ATOM 864 NE2 HIS A 58 3.268 30.197 -22.010 1.00 0.00 N ATOM 0 H HIS A 58 1.410 30.521 -19.292 1.00 0.00 H new ATOM 0 HA HIS A 58 -0.973 28.850 -18.877 1.00 0.00 H new ATOM 0 HB2 HIS A 58 0.158 27.751 -21.005 1.00 0.00 H new ATOM 0 HB3 HIS A 58 -0.795 29.215 -21.145 1.00 0.00 H new ATOM 0 HD2 HIS A 58 3.081 28.408 -20.755 1.00 0.00 H new ATOM 0 HE1 HIS A 58 2.586 31.899 -23.114 1.00 0.00 H new ATOM 0 HE2 HIS A 58 4.276 30.254 -22.154 1.00 0.00 H new ATOM 872 N VAL A 59 0.115 26.826 -17.965 1.00 0.00 N ATOM 873 CA VAL A 59 0.734 25.673 -17.321 1.00 0.00 C ATOM 874 C VAL A 59 -0.095 24.412 -17.538 1.00 0.00 C ATOM 875 O VAL A 59 -1.321 24.435 -17.430 1.00 0.00 O ATOM 876 CB VAL A 59 0.912 25.903 -15.809 1.00 0.00 C ATOM 877 CG1 VAL A 59 1.828 24.845 -15.212 1.00 0.00 C ATOM 878 CG2 VAL A 59 1.454 27.300 -15.543 1.00 0.00 C ATOM 0 H VAL A 59 -0.903 26.844 -17.908 1.00 0.00 H new ATOM 0 HA VAL A 59 1.715 25.543 -17.779 1.00 0.00 H new ATOM 0 HB VAL A 59 -0.063 25.818 -15.329 1.00 0.00 H new ATOM 0 HG11 VAL A 59 1.942 25.024 -14.143 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.395 23.857 -15.371 1.00 0.00 H new ATOM 0 HG13 VAL A 59 2.804 24.895 -15.694 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.574 27.446 -14.469 1.00 0.00 H new ATOM 0 HG22 VAL A 59 2.420 27.415 -16.035 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.757 28.041 -15.934 1.00 0.00 H new ATOM 888 N CYS A 60 0.583 23.311 -17.844 1.00 0.00 N ATOM 889 CA CYS A 60 -0.089 22.038 -18.076 1.00 0.00 C ATOM 890 C CYS A 60 0.244 21.038 -16.973 1.00 0.00 C ATOM 891 O CYS A 60 1.394 20.626 -16.820 1.00 0.00 O ATOM 892 CB CYS A 60 0.313 21.466 -19.437 1.00 0.00 C ATOM 893 SG CYS A 60 0.631 19.672 -19.425 1.00 0.00 S ATOM 0 H CYS A 60 1.598 23.275 -17.937 1.00 0.00 H new ATOM 0 HA CYS A 60 -1.164 22.216 -18.068 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -0.477 21.679 -20.157 1.00 0.00 H new ATOM 0 HB3 CYS A 60 1.209 21.981 -19.785 1.00 0.00 H new ATOM 0 HG CYS A 60 1.868 19.448 -19.755 1.00 0.00 H new ATOM 898 N TYR A 61 -0.770 20.652 -16.207 1.00 0.00 N ATOM 899 CA TYR A 61 -0.586 19.702 -15.116 1.00 0.00 C ATOM 900 C TYR A 61 -1.292 18.383 -15.417 1.00 0.00 C ATOM 901 O TYR A 61 -2.496 18.249 -15.203 1.00 0.00 O ATOM 902 CB TYR A 61 -1.113 20.288 -13.806 1.00 0.00 C ATOM 903 CG TYR A 61 -0.777 21.751 -13.619 1.00 0.00 C ATOM 904 CD1 TYR A 61 -1.448 22.735 -14.334 1.00 0.00 C ATOM 905 CD2 TYR A 61 0.212 22.147 -12.727 1.00 0.00 C ATOM 906 CE1 TYR A 61 -1.143 24.072 -14.166 1.00 0.00 C ATOM 907 CE2 TYR A 61 0.522 23.482 -12.552 1.00 0.00 C ATOM 908 CZ TYR A 61 -0.158 24.441 -13.274 1.00 0.00 C ATOM 909 OH TYR A 61 0.149 25.771 -13.103 1.00 0.00 O ATOM 0 H TYR A 61 -1.728 20.982 -16.321 1.00 0.00 H new ATOM 0 HA TYR A 61 0.482 19.507 -15.015 1.00 0.00 H new ATOM 0 HB2 TYR A 61 -2.196 20.165 -13.772 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.701 19.720 -12.972 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.221 22.450 -15.033 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.747 21.399 -12.161 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -1.673 24.825 -14.731 1.00 0.00 H new ATOM 0 HE2 TYR A 61 1.293 23.773 -11.854 1.00 0.00 H new ATOM 0 HH TYR A 61 0.926 25.854 -12.512 1.00 0.00 H new ATOM 919 N TRP A 62 -0.533 17.414 -15.915 1.00 0.00 N ATOM 920 CA TRP A 62 -1.085 16.105 -16.245 1.00 0.00 C ATOM 921 C TRP A 62 -0.985 15.156 -15.056 1.00 0.00 C ATOM 922 O TRP A 62 -0.042 15.231 -14.269 1.00 0.00 O ATOM 923 CB TRP A 62 -0.355 15.510 -17.450 1.00 0.00 C ATOM 924 CG TRP A 62 -1.243 14.695 -18.341 1.00 0.00 C ATOM 925 CD1 TRP A 62 -1.445 13.346 -18.284 1.00 0.00 C ATOM 926 CD2 TRP A 62 -2.048 15.178 -19.422 1.00 0.00 C ATOM 927 NE1 TRP A 62 -2.328 12.961 -19.265 1.00 0.00 N ATOM 928 CE2 TRP A 62 -2.713 14.066 -19.976 1.00 0.00 C ATOM 929 CE3 TRP A 62 -2.274 16.442 -19.974 1.00 0.00 C ATOM 930 CZ2 TRP A 62 -3.585 14.182 -21.055 1.00 0.00 C ATOM 931 CZ3 TRP A 62 -3.139 16.555 -21.046 1.00 0.00 C ATOM 932 CH2 TRP A 62 -3.787 15.431 -21.576 1.00 0.00 C ATOM 0 H TRP A 62 0.466 17.510 -16.099 1.00 0.00 H new ATOM 0 HA TRP A 62 -2.138 16.235 -16.494 1.00 0.00 H new ATOM 0 HB2 TRP A 62 0.088 16.318 -18.032 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.465 14.885 -17.096 1.00 0.00 H new ATOM 0 HD1 TRP A 62 -0.980 12.679 -17.573 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -2.645 12.007 -19.436 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.782 17.314 -19.570 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -4.084 13.317 -21.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -3.319 17.526 -21.483 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -4.459 15.553 -22.412 1.00 0.00 H new ATOM 943 N GLU A 63 -1.964 14.265 -14.931 1.00 0.00 N ATOM 944 CA GLU A 63 -1.985 13.302 -13.836 1.00 0.00 C ATOM 945 C GLU A 63 -0.573 12.827 -13.503 1.00 0.00 C ATOM 946 O GLU A 63 -0.290 12.439 -12.370 1.00 0.00 O ATOM 947 CB GLU A 63 -2.866 12.105 -14.197 1.00 0.00 C ATOM 948 CG GLU A 63 -2.922 11.042 -13.112 1.00 0.00 C ATOM 949 CD GLU A 63 -3.158 9.651 -13.670 1.00 0.00 C ATOM 950 OE1 GLU A 63 -2.963 9.459 -14.888 1.00 0.00 O ATOM 951 OE2 GLU A 63 -3.536 8.755 -12.887 1.00 0.00 O ATOM 0 H GLU A 63 -2.752 14.190 -15.574 1.00 0.00 H new ATOM 0 HA GLU A 63 -2.400 13.797 -12.958 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -3.877 12.457 -14.402 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -2.493 11.654 -15.117 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -1.987 11.051 -12.551 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -3.718 11.287 -12.409 1.00 0.00 H new ATOM 958 N GLU A 64 0.306 12.859 -14.499 1.00 0.00 N ATOM 959 CA GLU A 64 1.687 12.430 -14.311 1.00 0.00 C ATOM 960 C GLU A 64 2.633 13.242 -15.192 1.00 0.00 C ATOM 961 O GLU A 64 3.484 12.686 -15.886 1.00 0.00 O ATOM 962 CB GLU A 64 1.830 10.940 -14.629 1.00 0.00 C ATOM 963 CG GLU A 64 0.772 10.073 -13.968 1.00 0.00 C ATOM 964 CD GLU A 64 0.862 10.095 -12.455 1.00 0.00 C ATOM 965 OE1 GLU A 64 1.978 10.294 -11.930 1.00 0.00 O ATOM 966 OE2 GLU A 64 -0.182 9.913 -11.795 1.00 0.00 O ATOM 0 H GLU A 64 0.087 13.177 -15.443 1.00 0.00 H new ATOM 0 HA GLU A 64 1.954 12.599 -13.268 1.00 0.00 H new ATOM 0 HB2 GLU A 64 1.779 10.801 -15.709 1.00 0.00 H new ATOM 0 HB3 GLU A 64 2.816 10.602 -14.310 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -0.216 10.415 -14.274 1.00 0.00 H new ATOM 0 HG3 GLU A 64 0.877 9.047 -14.320 1.00 0.00 H new ATOM 973 N CYS A 65 2.478 14.561 -15.158 1.00 0.00 N ATOM 974 CA CYS A 65 3.316 15.451 -15.952 1.00 0.00 C ATOM 975 C CYS A 65 4.598 15.804 -15.203 1.00 0.00 C ATOM 976 O CYS A 65 4.586 16.103 -14.009 1.00 0.00 O ATOM 977 CB CYS A 65 2.550 16.728 -16.304 1.00 0.00 C ATOM 978 SG CYS A 65 3.513 17.927 -17.281 1.00 0.00 S ATOM 0 H CYS A 65 1.779 15.038 -14.588 1.00 0.00 H new ATOM 0 HA CYS A 65 3.585 14.931 -16.872 1.00 0.00 H new ATOM 0 HB2 CYS A 65 1.653 16.459 -16.861 1.00 0.00 H new ATOM 0 HB3 CYS A 65 2.221 17.207 -15.382 1.00 0.00 H new ATOM 0 HG CYS A 65 3.133 17.879 -18.523 1.00 0.00 H new ATOM 983 N PRO A 66 5.731 15.769 -15.920 1.00 0.00 N ATOM 984 CA PRO A 66 7.042 16.082 -15.344 1.00 0.00 C ATOM 985 C PRO A 66 7.187 17.562 -15.005 1.00 0.00 C ATOM 986 O PRO A 66 7.966 17.933 -14.127 1.00 0.00 O ATOM 987 CB PRO A 66 8.020 15.690 -16.455 1.00 0.00 C ATOM 988 CG PRO A 66 7.228 15.798 -17.712 1.00 0.00 C ATOM 989 CD PRO A 66 5.819 15.421 -17.348 1.00 0.00 C ATOM 0 HA PRO A 66 7.210 15.557 -14.404 1.00 0.00 H new ATOM 0 HB2 PRO A 66 8.885 16.353 -16.474 1.00 0.00 H new ATOM 0 HB3 PRO A 66 8.398 14.678 -16.311 1.00 0.00 H new ATOM 0 HG2 PRO A 66 7.270 16.811 -18.114 1.00 0.00 H new ATOM 0 HG3 PRO A 66 7.623 15.134 -18.481 1.00 0.00 H new ATOM 0 HD2 PRO A 66 5.089 15.972 -17.942 1.00 0.00 H new ATOM 0 HD3 PRO A 66 5.631 14.361 -17.516 1.00 0.00 H new ATOM 997 N ARG A 67 6.432 18.402 -15.705 1.00 0.00 N ATOM 998 CA ARG A 67 6.478 19.841 -15.478 1.00 0.00 C ATOM 999 C ARG A 67 5.936 20.191 -14.095 1.00 0.00 C ATOM 1000 O ARG A 67 6.214 21.265 -13.563 1.00 0.00 O ATOM 1001 CB ARG A 67 5.674 20.575 -16.553 1.00 0.00 C ATOM 1002 CG ARG A 67 6.041 20.169 -17.971 1.00 0.00 C ATOM 1003 CD ARG A 67 7.548 20.162 -18.175 1.00 0.00 C ATOM 1004 NE ARG A 67 8.115 21.506 -18.116 1.00 0.00 N ATOM 1005 CZ ARG A 67 9.420 21.752 -18.070 1.00 0.00 C ATOM 1006 NH1 ARG A 67 10.287 20.749 -18.077 1.00 0.00 N ATOM 1007 NH2 ARG A 67 9.859 23.003 -18.017 1.00 0.00 N ATOM 0 H ARG A 67 5.781 18.111 -16.434 1.00 0.00 H new ATOM 0 HA ARG A 67 7.519 20.159 -15.533 1.00 0.00 H new ATOM 0 HB2 ARG A 67 4.612 20.386 -16.393 1.00 0.00 H new ATOM 0 HB3 ARG A 67 5.827 21.648 -16.440 1.00 0.00 H new ATOM 0 HG2 ARG A 67 5.639 19.178 -18.183 1.00 0.00 H new ATOM 0 HG3 ARG A 67 5.580 20.858 -18.679 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.014 19.538 -17.412 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.781 19.712 -19.140 1.00 0.00 H new ATOM 0 HE ARG A 67 7.474 22.300 -18.110 1.00 0.00 H new ATOM 0 HH11 ARG A 67 9.953 19.786 -18.118 1.00 0.00 H new ATOM 0 HH12 ARG A 67 11.288 20.940 -18.042 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.195 23.777 -18.012 1.00 0.00 H new ATOM 0 HH22 ARG A 67 10.861 23.191 -17.982 1.00 0.00 H new ATOM 1021 N GLU A 68 5.162 19.276 -13.520 1.00 0.00 N ATOM 1022 CA GLU A 68 4.580 19.489 -12.200 1.00 0.00 C ATOM 1023 C GLU A 68 4.229 20.959 -11.991 1.00 0.00 C ATOM 1024 O GLU A 68 4.304 21.474 -10.876 1.00 0.00 O ATOM 1025 CB GLU A 68 5.549 19.025 -11.110 1.00 0.00 C ATOM 1026 CG GLU A 68 6.931 18.673 -11.635 1.00 0.00 C ATOM 1027 CD GLU A 68 7.954 18.520 -10.526 1.00 0.00 C ATOM 1028 OE1 GLU A 68 7.935 19.339 -9.583 1.00 0.00 O ATOM 1029 OE2 GLU A 68 8.774 17.582 -10.601 1.00 0.00 O ATOM 0 H GLU A 68 4.924 18.381 -13.947 1.00 0.00 H new ATOM 0 HA GLU A 68 3.664 18.902 -12.136 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.643 19.811 -10.361 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.128 18.154 -10.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.874 17.744 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.262 19.449 -12.325 1.00 0.00 H new ATOM 1036 N GLY A 69 3.846 21.630 -13.073 1.00 0.00 N ATOM 1037 CA GLY A 69 3.490 23.034 -12.988 1.00 0.00 C ATOM 1038 C GLY A 69 4.624 23.947 -13.410 1.00 0.00 C ATOM 1039 O GLY A 69 4.751 25.065 -12.910 1.00 0.00 O ATOM 0 H GLY A 69 3.776 21.226 -14.007 1.00 0.00 H new ATOM 0 HA2 GLY A 69 2.621 23.224 -13.618 1.00 0.00 H new ATOM 0 HA3 GLY A 69 3.199 23.270 -11.964 1.00 0.00 H new ATOM 1043 N LYS A 70 5.453 23.469 -14.332 1.00 0.00 N ATOM 1044 CA LYS A 70 6.584 24.249 -14.822 1.00 0.00 C ATOM 1045 C LYS A 70 6.246 24.925 -16.147 1.00 0.00 C ATOM 1046 O LYS A 70 6.366 24.319 -17.212 1.00 0.00 O ATOM 1047 CB LYS A 70 7.812 23.352 -14.993 1.00 0.00 C ATOM 1048 CG LYS A 70 8.653 23.225 -13.735 1.00 0.00 C ATOM 1049 CD LYS A 70 9.512 24.459 -13.512 1.00 0.00 C ATOM 1050 CE LYS A 70 10.673 24.515 -14.494 1.00 0.00 C ATOM 1051 NZ LYS A 70 11.837 25.255 -13.935 1.00 0.00 N ATOM 0 H LYS A 70 5.363 22.545 -14.755 1.00 0.00 H new ATOM 0 HA LYS A 70 6.806 25.022 -14.087 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.486 22.359 -15.304 1.00 0.00 H new ATOM 0 HB3 LYS A 70 8.433 23.749 -15.796 1.00 0.00 H new ATOM 0 HG2 LYS A 70 8.001 23.074 -12.874 1.00 0.00 H new ATOM 0 HG3 LYS A 70 9.291 22.345 -13.810 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.900 25.354 -13.620 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.897 24.457 -12.492 1.00 0.00 H new ATOM 0 HE2 LYS A 70 10.978 23.501 -14.754 1.00 0.00 H new ATOM 0 HE3 LYS A 70 10.346 24.996 -15.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 12.607 25.271 -14.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 11.553 26.230 -13.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 12.166 24.782 -13.069 1.00 0.00 H new ATOM 1065 N SER A 71 5.824 26.183 -16.074 1.00 0.00 N ATOM 1066 CA SER A 71 5.466 26.940 -17.267 1.00 0.00 C ATOM 1067 C SER A 71 6.673 27.110 -18.185 1.00 0.00 C ATOM 1068 O SER A 71 7.816 26.919 -17.768 1.00 0.00 O ATOM 1069 CB SER A 71 4.909 28.311 -16.880 1.00 0.00 C ATOM 1070 OG SER A 71 4.193 28.894 -17.955 1.00 0.00 O ATOM 0 H SER A 71 5.722 26.700 -15.201 1.00 0.00 H new ATOM 0 HA SER A 71 4.698 26.382 -17.803 1.00 0.00 H new ATOM 0 HB2 SER A 71 4.253 28.209 -16.015 1.00 0.00 H new ATOM 0 HB3 SER A 71 5.727 28.969 -16.585 1.00 0.00 H new ATOM 0 HG SER A 71 3.247 28.645 -17.891 1.00 0.00 H new ATOM 1076 N PHE A 72 6.411 27.471 -19.436 1.00 0.00 N ATOM 1077 CA PHE A 72 7.474 27.666 -20.415 1.00 0.00 C ATOM 1078 C PHE A 72 7.652 29.147 -20.737 1.00 0.00 C ATOM 1079 O PHE A 72 6.762 29.960 -20.487 1.00 0.00 O ATOM 1080 CB PHE A 72 7.168 26.887 -21.695 1.00 0.00 C ATOM 1081 CG PHE A 72 7.279 25.398 -21.532 1.00 0.00 C ATOM 1082 CD1 PHE A 72 6.300 24.686 -20.858 1.00 0.00 C ATOM 1083 CD2 PHE A 72 8.363 24.709 -22.053 1.00 0.00 C ATOM 1084 CE1 PHE A 72 6.399 23.316 -20.706 1.00 0.00 C ATOM 1085 CE2 PHE A 72 8.467 23.339 -21.905 1.00 0.00 C ATOM 1086 CZ PHE A 72 7.484 22.642 -21.229 1.00 0.00 C ATOM 0 H PHE A 72 5.471 27.635 -19.796 1.00 0.00 H new ATOM 0 HA PHE A 72 8.403 27.292 -19.984 1.00 0.00 H new ATOM 0 HB2 PHE A 72 6.160 27.134 -22.029 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.852 27.210 -22.480 1.00 0.00 H new ATOM 0 HD1 PHE A 72 5.449 25.208 -20.446 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.135 25.249 -22.581 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.628 22.773 -20.179 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.316 22.814 -22.317 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.564 21.572 -21.110 1.00 0.00 H new ATOM 1096 N LYS A 73 8.808 29.490 -21.295 1.00 0.00 N ATOM 1097 CA LYS A 73 9.104 30.872 -21.653 1.00 0.00 C ATOM 1098 C LYS A 73 8.416 31.255 -22.959 1.00 0.00 C ATOM 1099 O LYS A 73 8.625 32.348 -23.485 1.00 0.00 O ATOM 1100 CB LYS A 73 10.616 31.074 -21.783 1.00 0.00 C ATOM 1101 CG LYS A 73 11.005 32.459 -22.272 1.00 0.00 C ATOM 1102 CD LYS A 73 12.388 32.854 -21.784 1.00 0.00 C ATOM 1103 CE LYS A 73 13.473 32.377 -22.737 1.00 0.00 C ATOM 1104 NZ LYS A 73 13.882 30.973 -22.454 1.00 0.00 N ATOM 0 H LYS A 73 9.555 28.830 -21.509 1.00 0.00 H new ATOM 0 HA LYS A 73 8.724 31.516 -20.860 1.00 0.00 H new ATOM 0 HB2 LYS A 73 11.083 30.896 -20.814 1.00 0.00 H new ATOM 0 HB3 LYS A 73 11.016 30.329 -22.471 1.00 0.00 H new ATOM 0 HG2 LYS A 73 10.983 32.481 -23.362 1.00 0.00 H new ATOM 0 HG3 LYS A 73 10.273 33.188 -21.923 1.00 0.00 H new ATOM 0 HD2 LYS A 73 12.443 33.938 -21.682 1.00 0.00 H new ATOM 0 HD3 LYS A 73 12.560 32.431 -20.794 1.00 0.00 H new ATOM 0 HE2 LYS A 73 13.113 32.451 -23.763 1.00 0.00 H new ATOM 0 HE3 LYS A 73 14.341 33.031 -22.656 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 14.787 30.773 -22.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 13.990 30.843 -21.428 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 13.155 30.321 -22.811 1.00 0.00 H new ATOM 1118 N ALA A 74 7.592 30.350 -23.476 1.00 0.00 N ATOM 1119 CA ALA A 74 6.870 30.595 -24.719 1.00 0.00 C ATOM 1120 C ALA A 74 5.719 29.609 -24.888 1.00 0.00 C ATOM 1121 O ALA A 74 5.713 28.536 -24.285 1.00 0.00 O ATOM 1122 CB ALA A 74 7.819 30.511 -25.906 1.00 0.00 C ATOM 0 H ALA A 74 7.408 29.440 -23.053 1.00 0.00 H new ATOM 0 HA ALA A 74 6.450 31.600 -24.675 1.00 0.00 H new ATOM 0 HB1 ALA A 74 7.267 30.696 -26.827 1.00 0.00 H new ATOM 0 HB2 ALA A 74 8.604 31.259 -25.798 1.00 0.00 H new ATOM 0 HB3 ALA A 74 8.267 29.518 -25.944 1.00 0.00 H new ATOM 1128 N LYS A 75 4.746 29.979 -25.713 1.00 0.00 N ATOM 1129 CA LYS A 75 3.589 29.128 -25.963 1.00 0.00 C ATOM 1130 C LYS A 75 3.992 27.874 -26.733 1.00 0.00 C ATOM 1131 O LYS A 75 3.813 26.755 -26.252 1.00 0.00 O ATOM 1132 CB LYS A 75 2.523 29.898 -26.746 1.00 0.00 C ATOM 1133 CG LYS A 75 1.158 29.232 -26.732 1.00 0.00 C ATOM 1134 CD LYS A 75 0.329 29.681 -25.541 1.00 0.00 C ATOM 1135 CE LYS A 75 -0.454 30.947 -25.853 1.00 0.00 C ATOM 1136 NZ LYS A 75 0.426 32.031 -26.371 1.00 0.00 N ATOM 0 H LYS A 75 4.736 30.864 -26.221 1.00 0.00 H new ATOM 0 HA LYS A 75 3.177 28.826 -25.000 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.433 30.901 -26.330 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.853 30.010 -27.779 1.00 0.00 H new ATOM 0 HG2 LYS A 75 0.628 29.468 -27.655 1.00 0.00 H new ATOM 0 HG3 LYS A 75 1.281 28.149 -26.703 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -0.360 28.886 -25.256 1.00 0.00 H new ATOM 0 HD3 LYS A 75 0.983 29.857 -24.687 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -1.227 30.724 -26.589 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -0.962 31.291 -24.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -0.118 32.915 -26.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 1.226 32.169 -25.721 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 0.785 31.768 -27.311 1.00 0.00 H new ATOM 1150 N TYR A 76 4.538 28.069 -27.928 1.00 0.00 N ATOM 1151 CA TYR A 76 4.966 26.954 -28.764 1.00 0.00 C ATOM 1152 C TYR A 76 5.859 25.997 -27.980 1.00 0.00 C ATOM 1153 O TYR A 76 6.033 24.839 -28.360 1.00 0.00 O ATOM 1154 CB TYR A 76 5.710 27.469 -29.997 1.00 0.00 C ATOM 1155 CG TYR A 76 6.990 28.204 -29.669 1.00 0.00 C ATOM 1156 CD1 TYR A 76 6.985 29.569 -29.410 1.00 0.00 C ATOM 1157 CD2 TYR A 76 8.206 27.533 -29.619 1.00 0.00 C ATOM 1158 CE1 TYR A 76 8.152 30.244 -29.110 1.00 0.00 C ATOM 1159 CE2 TYR A 76 9.378 28.199 -29.318 1.00 0.00 C ATOM 1160 CZ TYR A 76 9.346 29.555 -29.065 1.00 0.00 C ATOM 1161 OH TYR A 76 10.511 30.223 -28.767 1.00 0.00 O ATOM 0 H TYR A 76 4.695 28.989 -28.340 1.00 0.00 H new ATOM 0 HA TYR A 76 4.077 26.412 -29.085 1.00 0.00 H new ATOM 0 HB2 TYR A 76 5.941 26.627 -30.649 1.00 0.00 H new ATOM 0 HB3 TYR A 76 5.052 28.134 -30.556 1.00 0.00 H new ATOM 0 HD1 TYR A 76 6.052 30.112 -29.444 1.00 0.00 H new ATOM 0 HD2 TYR A 76 8.235 26.472 -29.819 1.00 0.00 H new ATOM 0 HE1 TYR A 76 8.130 31.305 -28.912 1.00 0.00 H new ATOM 0 HE2 TYR A 76 10.314 27.661 -29.281 1.00 0.00 H new ATOM 0 HH TYR A 76 11.261 29.592 -28.775 1.00 0.00 H new ATOM 1171 N LYS A 77 6.424 26.490 -26.883 1.00 0.00 N ATOM 1172 CA LYS A 77 7.299 25.681 -26.043 1.00 0.00 C ATOM 1173 C LYS A 77 6.485 24.756 -25.143 1.00 0.00 C ATOM 1174 O LYS A 77 6.841 23.593 -24.949 1.00 0.00 O ATOM 1175 CB LYS A 77 8.195 26.581 -25.189 1.00 0.00 C ATOM 1176 CG LYS A 77 9.502 26.955 -25.865 1.00 0.00 C ATOM 1177 CD LYS A 77 10.254 25.725 -26.344 1.00 0.00 C ATOM 1178 CE LYS A 77 11.752 25.980 -26.418 1.00 0.00 C ATOM 1179 NZ LYS A 77 12.491 24.799 -26.943 1.00 0.00 N ATOM 0 H LYS A 77 6.291 27.447 -26.555 1.00 0.00 H new ATOM 0 HA LYS A 77 7.923 25.070 -26.694 1.00 0.00 H new ATOM 0 HB2 LYS A 77 7.650 27.492 -24.941 1.00 0.00 H new ATOM 0 HB3 LYS A 77 8.414 26.075 -24.249 1.00 0.00 H new ATOM 0 HG2 LYS A 77 9.300 27.612 -26.711 1.00 0.00 H new ATOM 0 HG3 LYS A 77 10.126 27.515 -25.168 1.00 0.00 H new ATOM 0 HD2 LYS A 77 10.059 24.892 -25.669 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.885 25.432 -27.327 1.00 0.00 H new ATOM 0 HE2 LYS A 77 11.942 26.841 -27.058 1.00 0.00 H new ATOM 0 HE3 LYS A 77 12.127 26.231 -25.426 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 13.508 25.013 -26.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 12.330 23.983 -26.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 12.152 24.574 -27.900 1.00 0.00 H new ATOM 1193 N LEU A 78 5.392 25.278 -24.599 1.00 0.00 N ATOM 1194 CA LEU A 78 4.527 24.498 -23.721 1.00 0.00 C ATOM 1195 C LEU A 78 3.618 23.578 -24.530 1.00 0.00 C ATOM 1196 O LEU A 78 3.333 22.453 -24.120 1.00 0.00 O ATOM 1197 CB LEU A 78 3.683 25.427 -22.846 1.00 0.00 C ATOM 1198 CG LEU A 78 2.371 24.845 -22.320 1.00 0.00 C ATOM 1199 CD1 LEU A 78 2.619 23.519 -21.618 1.00 0.00 C ATOM 1200 CD2 LEU A 78 1.691 25.829 -21.380 1.00 0.00 C ATOM 0 H LEU A 78 5.083 26.238 -24.750 1.00 0.00 H new ATOM 0 HA LEU A 78 5.160 23.883 -23.081 1.00 0.00 H new ATOM 0 HB2 LEU A 78 4.287 25.738 -21.994 1.00 0.00 H new ATOM 0 HB3 LEU A 78 3.455 26.325 -23.420 1.00 0.00 H new ATOM 0 HG LEU A 78 1.709 24.666 -23.167 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.674 23.120 -21.250 1.00 0.00 H new ATOM 0 HD12 LEU A 78 3.063 22.813 -22.320 1.00 0.00 H new ATOM 0 HD13 LEU A 78 3.299 23.673 -20.780 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.759 25.398 -21.015 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.348 26.040 -20.536 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.478 26.755 -21.914 1.00 0.00 H new ATOM 1212 N VAL A 79 3.167 24.064 -25.682 1.00 0.00 N ATOM 1213 CA VAL A 79 2.293 23.285 -26.551 1.00 0.00 C ATOM 1214 C VAL A 79 2.973 21.998 -27.003 1.00 0.00 C ATOM 1215 O VAL A 79 2.470 20.901 -26.765 1.00 0.00 O ATOM 1216 CB VAL A 79 1.870 24.093 -27.792 1.00 0.00 C ATOM 1217 CG1 VAL A 79 1.130 23.205 -28.781 1.00 0.00 C ATOM 1218 CG2 VAL A 79 1.014 25.283 -27.387 1.00 0.00 C ATOM 0 H VAL A 79 3.393 24.994 -26.035 1.00 0.00 H new ATOM 0 HA VAL A 79 1.406 23.038 -25.968 1.00 0.00 H new ATOM 0 HB VAL A 79 2.768 24.471 -28.281 1.00 0.00 H new ATOM 0 HG11 VAL A 79 0.839 23.793 -29.651 1.00 0.00 H new ATOM 0 HG12 VAL A 79 1.781 22.389 -29.096 1.00 0.00 H new ATOM 0 HG13 VAL A 79 0.239 22.795 -28.306 1.00 0.00 H new ATOM 0 HG21 VAL A 79 0.724 25.842 -28.277 1.00 0.00 H new ATOM 0 HG22 VAL A 79 0.120 24.930 -26.873 1.00 0.00 H new ATOM 0 HG23 VAL A 79 1.583 25.931 -26.721 1.00 0.00 H new ATOM 1228 N ASN A 80 4.122 22.140 -27.657 1.00 0.00 N ATOM 1229 CA ASN A 80 4.872 20.988 -28.143 1.00 0.00 C ATOM 1230 C ASN A 80 5.128 19.991 -27.018 1.00 0.00 C ATOM 1231 O ASN A 80 5.269 18.791 -27.256 1.00 0.00 O ATOM 1232 CB ASN A 80 6.201 21.439 -28.752 1.00 0.00 C ATOM 1233 CG ASN A 80 6.017 22.165 -30.071 1.00 0.00 C ATOM 1234 OD1 ASN A 80 5.261 21.722 -30.935 1.00 0.00 O ATOM 1235 ND2 ASN A 80 6.710 23.286 -30.231 1.00 0.00 N ATOM 0 H ASN A 80 4.553 23.041 -27.862 1.00 0.00 H new ATOM 0 HA ASN A 80 4.276 20.496 -28.911 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.716 22.094 -28.049 1.00 0.00 H new ATOM 0 HB3 ASN A 80 6.841 20.570 -28.905 1.00 0.00 H new ATOM 0 HD21 ASN A 80 6.627 23.817 -31.098 1.00 0.00 H new ATOM 0 HD22 ASN A 80 7.325 23.616 -29.487 1.00 0.00 H new ATOM 1242 N HIS A 81 5.186 20.496 -25.789 1.00 0.00 N ATOM 1243 CA HIS A 81 5.423 19.649 -24.625 1.00 0.00 C ATOM 1244 C HIS A 81 4.237 18.722 -24.377 1.00 0.00 C ATOM 1245 O HIS A 81 4.410 17.570 -23.977 1.00 0.00 O ATOM 1246 CB HIS A 81 5.682 20.508 -23.387 1.00 0.00 C ATOM 1247 CG HIS A 81 5.134 19.920 -22.124 1.00 0.00 C ATOM 1248 ND1 HIS A 81 5.752 18.893 -21.442 1.00 0.00 N ATOM 1249 CD2 HIS A 81 4.019 20.220 -21.419 1.00 0.00 C ATOM 1250 CE1 HIS A 81 5.040 18.587 -20.372 1.00 0.00 C ATOM 1251 NE2 HIS A 81 3.983 19.378 -20.335 1.00 0.00 N ATOM 0 H HIS A 81 5.072 21.487 -25.574 1.00 0.00 H new ATOM 0 HA HIS A 81 6.303 19.038 -24.824 1.00 0.00 H new ATOM 0 HB2 HIS A 81 6.756 20.653 -23.274 1.00 0.00 H new ATOM 0 HB3 HIS A 81 5.242 21.493 -23.540 1.00 0.00 H new ATOM 0 HD1 HIS A 81 6.623 18.440 -21.720 1.00 0.00 H new ATOM 0 HD2 HIS A 81 3.292 20.981 -21.663 1.00 0.00 H new ATOM 0 HE1 HIS A 81 5.281 17.821 -19.650 1.00 0.00 H new ATOM 1259 N ILE A 82 3.034 19.232 -24.615 1.00 0.00 N ATOM 1260 CA ILE A 82 1.820 18.450 -24.417 1.00 0.00 C ATOM 1261 C ILE A 82 1.799 17.227 -25.327 1.00 0.00 C ATOM 1262 O ILE A 82 1.166 16.219 -25.015 1.00 0.00 O ATOM 1263 CB ILE A 82 0.558 19.293 -24.679 1.00 0.00 C ATOM 1264 CG1 ILE A 82 0.679 20.658 -23.999 1.00 0.00 C ATOM 1265 CG2 ILE A 82 -0.681 18.559 -24.188 1.00 0.00 C ATOM 1266 CD1 ILE A 82 -0.605 21.457 -24.014 1.00 0.00 C ATOM 0 H ILE A 82 2.874 20.184 -24.945 1.00 0.00 H new ATOM 0 HA ILE A 82 1.820 18.125 -23.376 1.00 0.00 H new ATOM 0 HB ILE A 82 0.462 19.451 -25.753 1.00 0.00 H new ATOM 0 HG12 ILE A 82 0.995 20.513 -22.966 1.00 0.00 H new ATOM 0 HG13 ILE A 82 1.461 21.233 -24.494 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -1.565 19.168 -24.380 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -0.773 17.609 -24.714 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -0.594 18.374 -23.117 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -0.445 22.413 -23.515 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.912 21.633 -25.045 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -1.385 20.902 -23.493 1.00 0.00 H new ATOM 1278 N ARG A 83 2.498 17.323 -26.454 1.00 0.00 N ATOM 1279 CA ARG A 83 2.560 16.224 -27.410 1.00 0.00 C ATOM 1280 C ARG A 83 2.914 14.915 -26.711 1.00 0.00 C ATOM 1281 O ARG A 83 2.368 13.860 -27.034 1.00 0.00 O ATOM 1282 CB ARG A 83 3.590 16.527 -28.500 1.00 0.00 C ATOM 1283 CG ARG A 83 3.137 17.589 -29.488 1.00 0.00 C ATOM 1284 CD ARG A 83 2.310 18.668 -28.806 1.00 0.00 C ATOM 1285 NE ARG A 83 1.704 19.583 -29.769 1.00 0.00 N ATOM 1286 CZ ARG A 83 0.614 20.300 -29.516 1.00 0.00 C ATOM 1287 NH1 ARG A 83 0.015 20.207 -28.337 1.00 0.00 N ATOM 1288 NH2 ARG A 83 0.122 21.111 -30.444 1.00 0.00 N ATOM 0 H ARG A 83 3.029 18.150 -26.727 1.00 0.00 H new ATOM 0 HA ARG A 83 1.577 16.117 -27.868 1.00 0.00 H new ATOM 0 HB2 ARG A 83 4.518 16.852 -28.030 1.00 0.00 H new ATOM 0 HB3 ARG A 83 3.812 15.609 -29.043 1.00 0.00 H new ATOM 0 HG2 ARG A 83 4.008 18.042 -29.962 1.00 0.00 H new ATOM 0 HG3 ARG A 83 2.549 17.124 -30.279 1.00 0.00 H new ATOM 0 HD2 ARG A 83 1.528 18.201 -28.208 1.00 0.00 H new ATOM 0 HD3 ARG A 83 2.943 19.231 -28.120 1.00 0.00 H new ATOM 0 HE ARG A 83 2.141 19.677 -30.686 1.00 0.00 H new ATOM 0 HH11 ARG A 83 0.391 19.584 -27.622 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.821 20.758 -28.145 1.00 0.00 H new ATOM 0 HH21 ARG A 83 0.580 21.184 -31.352 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -0.715 21.661 -30.249 1.00 0.00 H new ATOM 1302 N VAL A 84 3.831 14.991 -25.752 1.00 0.00 N ATOM 1303 CA VAL A 84 4.257 13.812 -25.007 1.00 0.00 C ATOM 1304 C VAL A 84 3.102 13.221 -24.206 1.00 0.00 C ATOM 1305 O VAL A 84 3.103 12.034 -23.879 1.00 0.00 O ATOM 1306 CB VAL A 84 5.416 14.143 -24.048 1.00 0.00 C ATOM 1307 CG1 VAL A 84 6.581 14.758 -24.809 1.00 0.00 C ATOM 1308 CG2 VAL A 84 4.942 15.073 -22.941 1.00 0.00 C ATOM 0 H VAL A 84 4.293 15.856 -25.473 1.00 0.00 H new ATOM 0 HA VAL A 84 4.599 13.081 -25.740 1.00 0.00 H new ATOM 0 HB VAL A 84 5.761 13.216 -23.590 1.00 0.00 H new ATOM 0 HG11 VAL A 84 7.390 14.985 -24.115 1.00 0.00 H new ATOM 0 HG12 VAL A 84 6.936 14.054 -25.562 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.253 15.676 -25.296 1.00 0.00 H new ATOM 0 HG21 VAL A 84 5.774 15.296 -22.273 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.569 15.999 -23.379 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.143 14.591 -22.378 1.00 0.00 H new ATOM 1318 N HIS A 85 2.117 14.057 -23.893 1.00 0.00 N ATOM 1319 CA HIS A 85 0.954 13.617 -23.131 1.00 0.00 C ATOM 1320 C HIS A 85 -0.052 12.911 -24.034 1.00 0.00 C ATOM 1321 O HIS A 85 -1.116 12.485 -23.584 1.00 0.00 O ATOM 1322 CB HIS A 85 0.290 14.809 -22.441 1.00 0.00 C ATOM 1323 CG HIS A 85 1.176 15.498 -21.450 1.00 0.00 C ATOM 1324 ND1 HIS A 85 2.006 14.819 -20.583 1.00 0.00 N ATOM 1325 CD2 HIS A 85 1.360 16.814 -21.191 1.00 0.00 C ATOM 1326 CE1 HIS A 85 2.661 15.687 -19.833 1.00 0.00 C ATOM 1327 NE2 HIS A 85 2.287 16.905 -20.183 1.00 0.00 N ATOM 0 H HIS A 85 2.101 15.043 -24.155 1.00 0.00 H new ATOM 0 HA HIS A 85 1.293 12.911 -22.373 1.00 0.00 H new ATOM 0 HB2 HIS A 85 -0.023 15.528 -23.198 1.00 0.00 H new ATOM 0 HB3 HIS A 85 -0.612 14.468 -21.933 1.00 0.00 H new ATOM 0 HD1 HIS A 85 2.100 13.805 -20.529 1.00 0.00 H new ATOM 0 HD2 HIS A 85 0.869 17.639 -21.686 1.00 0.00 H new ATOM 0 HE1 HIS A 85 3.380 15.443 -19.065 1.00 0.00 H new ATOM 1335 N THR A 86 0.291 12.791 -25.313 1.00 0.00 N ATOM 1336 CA THR A 86 -0.583 12.138 -26.280 1.00 0.00 C ATOM 1337 C THR A 86 0.172 11.081 -27.078 1.00 0.00 C ATOM 1338 O THR A 86 -0.197 9.908 -27.078 1.00 0.00 O ATOM 1339 CB THR A 86 -1.201 13.157 -27.256 1.00 0.00 C ATOM 1340 OG1 THR A 86 -0.339 13.339 -28.385 1.00 0.00 O ATOM 1341 CG2 THR A 86 -1.432 14.494 -26.568 1.00 0.00 C ATOM 0 H THR A 86 1.168 13.137 -25.703 1.00 0.00 H new ATOM 0 HA THR A 86 -1.381 11.659 -25.712 1.00 0.00 H new ATOM 0 HB THR A 86 -2.162 12.768 -27.592 1.00 0.00 H new ATOM 0 HG1 THR A 86 0.573 13.518 -28.075 1.00 0.00 H new ATOM 0 HG21 THR A 86 -1.869 15.197 -27.277 1.00 0.00 H new ATOM 0 HG22 THR A 86 -2.111 14.358 -25.727 1.00 0.00 H new ATOM 0 HG23 THR A 86 -0.481 14.886 -26.207 1.00 0.00 H new ATOM 1407 N PHE A 91 -0.588 9.368 -39.217 1.00 0.00 N ATOM 1408 CA PHE A 91 0.259 8.533 -40.061 1.00 0.00 C ATOM 1409 C PHE A 91 1.712 8.994 -39.999 1.00 0.00 C ATOM 1410 O PHE A 91 2.010 10.187 -39.943 1.00 0.00 O ATOM 1411 CB PHE A 91 -0.237 8.567 -41.508 1.00 0.00 C ATOM 1412 CG PHE A 91 -0.932 9.847 -41.875 1.00 0.00 C ATOM 1413 CD1 PHE A 91 -0.244 11.050 -41.872 1.00 0.00 C ATOM 1414 CD2 PHE A 91 -2.273 9.848 -42.221 1.00 0.00 C ATOM 1415 CE1 PHE A 91 -0.881 12.230 -42.208 1.00 0.00 C ATOM 1416 CE2 PHE A 91 -2.915 11.024 -42.559 1.00 0.00 C ATOM 1417 CZ PHE A 91 -2.218 12.217 -42.552 1.00 0.00 C ATOM 0 HA PHE A 91 0.205 7.510 -39.689 1.00 0.00 H new ATOM 0 HB2 PHE A 91 0.610 8.418 -42.177 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -0.920 7.733 -41.669 1.00 0.00 H new ATOM 0 HD1 PHE A 91 0.802 11.066 -41.604 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.823 8.919 -42.227 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -0.333 13.161 -42.201 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -3.961 11.011 -42.828 1.00 0.00 H new ATOM 0 HZ PHE A 91 -2.718 13.137 -42.815 1.00 0.00 H new ATOM 1427 N PRO A 92 2.640 8.025 -40.008 1.00 0.00 N ATOM 1428 CA PRO A 92 4.078 8.306 -39.953 1.00 0.00 C ATOM 1429 C PRO A 92 4.593 8.947 -41.237 1.00 0.00 C ATOM 1430 O PRO A 92 3.814 9.441 -42.052 1.00 0.00 O ATOM 1431 CB PRO A 92 4.702 6.922 -39.758 1.00 0.00 C ATOM 1432 CG PRO A 92 3.707 5.973 -40.333 1.00 0.00 C ATOM 1433 CD PRO A 92 2.357 6.582 -40.073 1.00 0.00 C ATOM 0 HA PRO A 92 4.325 9.015 -39.163 1.00 0.00 H new ATOM 0 HB2 PRO A 92 5.662 6.845 -40.268 1.00 0.00 H new ATOM 0 HB3 PRO A 92 4.883 6.715 -38.703 1.00 0.00 H new ATOM 0 HG2 PRO A 92 3.873 5.833 -41.401 1.00 0.00 H new ATOM 0 HG3 PRO A 92 3.789 4.991 -39.866 1.00 0.00 H new ATOM 0 HD2 PRO A 92 1.650 6.347 -40.869 1.00 0.00 H new ATOM 0 HD3 PRO A 92 1.923 6.215 -39.143 1.00 0.00 H new ATOM 1441 N CYS A 93 5.910 8.935 -41.411 1.00 0.00 N ATOM 1442 CA CYS A 93 6.530 9.515 -42.596 1.00 0.00 C ATOM 1443 C CYS A 93 6.667 8.474 -43.703 1.00 0.00 C ATOM 1444 O CYS A 93 7.071 7.334 -43.471 1.00 0.00 O ATOM 1445 CB CYS A 93 7.905 10.090 -42.249 1.00 0.00 C ATOM 1446 SG CYS A 93 8.761 10.872 -43.654 1.00 0.00 S ATOM 0 H CYS A 93 6.569 8.530 -40.746 1.00 0.00 H new ATOM 0 HA CYS A 93 5.887 10.319 -42.955 1.00 0.00 H new ATOM 0 HB2 CYS A 93 7.789 10.826 -41.453 1.00 0.00 H new ATOM 0 HB3 CYS A 93 8.532 9.290 -41.855 1.00 0.00 H new ATOM 0 HG CYS A 93 9.994 11.122 -43.326 1.00 0.00 H new ATOM 1451 N PRO A 94 6.324 8.873 -44.937 1.00 0.00 N ATOM 1452 CA PRO A 94 6.401 7.990 -46.105 1.00 0.00 C ATOM 1453 C PRO A 94 7.839 7.677 -46.501 1.00 0.00 C ATOM 1454 O PRO A 94 8.085 6.969 -47.478 1.00 0.00 O ATOM 1455 CB PRO A 94 5.707 8.797 -47.205 1.00 0.00 C ATOM 1456 CG PRO A 94 5.865 10.219 -46.790 1.00 0.00 C ATOM 1457 CD PRO A 94 5.834 10.217 -45.286 1.00 0.00 C ATOM 0 HA PRO A 94 5.942 7.020 -45.914 1.00 0.00 H new ATOM 0 HB2 PRO A 94 6.165 8.615 -48.177 1.00 0.00 H new ATOM 0 HB3 PRO A 94 4.655 8.525 -47.292 1.00 0.00 H new ATOM 0 HG2 PRO A 94 6.803 10.632 -47.161 1.00 0.00 H new ATOM 0 HG3 PRO A 94 5.063 10.836 -47.196 1.00 0.00 H new ATOM 0 HD2 PRO A 94 6.471 10.998 -44.870 1.00 0.00 H new ATOM 0 HD3 PRO A 94 4.828 10.390 -44.904 1.00 0.00 H new ATOM 1465 N PHE A 95 8.788 8.207 -45.736 1.00 0.00 N ATOM 1466 CA PHE A 95 10.203 7.984 -46.007 1.00 0.00 C ATOM 1467 C PHE A 95 10.742 6.828 -45.170 1.00 0.00 C ATOM 1468 O PHE A 95 10.513 6.743 -43.963 1.00 0.00 O ATOM 1469 CB PHE A 95 11.006 9.255 -45.721 1.00 0.00 C ATOM 1470 CG PHE A 95 12.280 9.350 -46.510 1.00 0.00 C ATOM 1471 CD1 PHE A 95 13.338 8.495 -46.249 1.00 0.00 C ATOM 1472 CD2 PHE A 95 12.419 10.295 -47.514 1.00 0.00 C ATOM 1473 CE1 PHE A 95 14.512 8.580 -46.974 1.00 0.00 C ATOM 1474 CE2 PHE A 95 13.590 10.385 -48.243 1.00 0.00 C ATOM 1475 CZ PHE A 95 14.638 9.527 -47.972 1.00 0.00 C ATOM 0 H PHE A 95 8.602 8.794 -44.923 1.00 0.00 H new ATOM 0 HA PHE A 95 10.309 7.726 -47.061 1.00 0.00 H new ATOM 0 HB2 PHE A 95 10.386 10.124 -45.941 1.00 0.00 H new ATOM 0 HB3 PHE A 95 11.243 9.294 -44.658 1.00 0.00 H new ATOM 0 HD1 PHE A 95 13.245 7.753 -45.470 1.00 0.00 H new ATOM 0 HD2 PHE A 95 11.603 10.969 -47.729 1.00 0.00 H new ATOM 0 HE1 PHE A 95 15.329 7.907 -46.761 1.00 0.00 H new ATOM 0 HE2 PHE A 95 13.685 11.125 -49.024 1.00 0.00 H new ATOM 0 HZ PHE A 95 15.554 9.596 -48.539 1.00 0.00 H new ATOM 1485 N PRO A 96 11.476 5.916 -45.824 1.00 0.00 N ATOM 1486 CA PRO A 96 12.063 4.748 -45.160 1.00 0.00 C ATOM 1487 C PRO A 96 13.199 5.129 -44.216 1.00 0.00 C ATOM 1488 O PRO A 96 13.188 4.769 -43.040 1.00 0.00 O ATOM 1489 CB PRO A 96 12.594 3.908 -46.324 1.00 0.00 C ATOM 1490 CG PRO A 96 12.839 4.888 -47.418 1.00 0.00 C ATOM 1491 CD PRO A 96 11.789 5.954 -47.262 1.00 0.00 C ATOM 0 HA PRO A 96 11.338 4.226 -44.536 1.00 0.00 H new ATOM 0 HB2 PRO A 96 13.510 3.385 -46.049 1.00 0.00 H new ATOM 0 HB3 PRO A 96 11.872 3.149 -46.626 1.00 0.00 H new ATOM 0 HG2 PRO A 96 13.840 5.313 -47.345 1.00 0.00 H new ATOM 0 HG3 PRO A 96 12.767 4.409 -48.394 1.00 0.00 H new ATOM 0 HD2 PRO A 96 12.161 6.932 -47.567 1.00 0.00 H new ATOM 0 HD3 PRO A 96 10.909 5.744 -47.870 1.00 0.00 H new ATOM 1499 N GLY A 97 14.179 5.859 -44.740 1.00 0.00 N ATOM 1500 CA GLY A 97 15.308 6.276 -43.930 1.00 0.00 C ATOM 1501 C GLY A 97 15.023 7.541 -43.145 1.00 0.00 C ATOM 1502 O GLY A 97 15.867 8.434 -43.063 1.00 0.00 O ATOM 0 H GLY A 97 14.211 6.169 -45.711 1.00 0.00 H new ATOM 0 HA2 GLY A 97 15.571 5.475 -43.239 1.00 0.00 H new ATOM 0 HA3 GLY A 97 16.173 6.439 -44.574 1.00 0.00 H new ATOM 1506 N CYS A 98 13.829 7.621 -42.567 1.00 0.00 N ATOM 1507 CA CYS A 98 13.432 8.787 -41.787 1.00 0.00 C ATOM 1508 C CYS A 98 12.817 8.366 -40.455 1.00 0.00 C ATOM 1509 O CYS A 98 13.313 8.727 -39.389 1.00 0.00 O ATOM 1510 CB CYS A 98 12.436 9.639 -42.575 1.00 0.00 C ATOM 1511 SG CYS A 98 12.076 11.255 -41.815 1.00 0.00 S ATOM 0 H CYS A 98 13.119 6.891 -42.624 1.00 0.00 H new ATOM 0 HA CYS A 98 14.325 9.379 -41.584 1.00 0.00 H new ATOM 0 HB2 CYS A 98 12.827 9.801 -43.579 1.00 0.00 H new ATOM 0 HB3 CYS A 98 11.504 9.084 -42.682 1.00 0.00 H new ATOM 0 HG CYS A 98 12.209 12.193 -42.706 1.00 0.00 H new ATOM 1516 N GLY A 99 11.733 7.600 -40.526 1.00 0.00 N ATOM 1517 CA GLY A 99 11.067 7.143 -39.320 1.00 0.00 C ATOM 1518 C GLY A 99 10.492 8.285 -38.507 1.00 0.00 C ATOM 1519 O GLY A 99 10.351 8.180 -37.288 1.00 0.00 O ATOM 0 H GLY A 99 11.304 7.288 -41.397 1.00 0.00 H new ATOM 0 HA2 GLY A 99 10.267 6.454 -39.590 1.00 0.00 H new ATOM 0 HA3 GLY A 99 11.775 6.585 -38.707 1.00 0.00 H new ATOM 1523 N LYS A 100 10.160 9.381 -39.181 1.00 0.00 N ATOM 1524 CA LYS A 100 9.597 10.549 -38.514 1.00 0.00 C ATOM 1525 C LYS A 100 8.073 10.519 -38.558 1.00 0.00 C ATOM 1526 O LYS A 100 7.481 9.964 -39.484 1.00 0.00 O ATOM 1527 CB LYS A 100 10.112 11.833 -39.169 1.00 0.00 C ATOM 1528 CG LYS A 100 9.334 13.074 -38.767 1.00 0.00 C ATOM 1529 CD LYS A 100 9.717 13.546 -37.374 1.00 0.00 C ATOM 1530 CE LYS A 100 9.629 15.060 -37.255 1.00 0.00 C ATOM 1531 NZ LYS A 100 10.922 15.718 -37.589 1.00 0.00 N ATOM 0 H LYS A 100 10.271 9.485 -40.190 1.00 0.00 H new ATOM 0 HA LYS A 100 9.913 10.528 -37.471 1.00 0.00 H new ATOM 0 HB2 LYS A 100 11.161 11.970 -38.905 1.00 0.00 H new ATOM 0 HB3 LYS A 100 10.068 11.721 -40.252 1.00 0.00 H new ATOM 0 HG2 LYS A 100 9.522 13.871 -39.487 1.00 0.00 H new ATOM 0 HG3 LYS A 100 8.266 12.861 -38.799 1.00 0.00 H new ATOM 0 HD2 LYS A 100 9.059 13.083 -36.638 1.00 0.00 H new ATOM 0 HD3 LYS A 100 10.731 13.220 -37.144 1.00 0.00 H new ATOM 0 HE2 LYS A 100 8.850 15.432 -37.920 1.00 0.00 H new ATOM 0 HE3 LYS A 100 9.336 15.328 -36.240 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 10.821 16.749 -37.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 11.661 15.382 -36.938 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 11.189 15.483 -38.566 1.00 0.00 H new ATOM 1545 N ILE A 101 7.445 11.120 -37.553 1.00 0.00 N ATOM 1546 CA ILE A 101 5.990 11.163 -37.480 1.00 0.00 C ATOM 1547 C ILE A 101 5.505 12.519 -36.978 1.00 0.00 C ATOM 1548 O ILE A 101 6.225 13.226 -36.272 1.00 0.00 O ATOM 1549 CB ILE A 101 5.439 10.060 -36.557 1.00 0.00 C ATOM 1550 CG1 ILE A 101 6.238 8.768 -36.738 1.00 0.00 C ATOM 1551 CG2 ILE A 101 3.963 9.821 -36.839 1.00 0.00 C ATOM 1552 CD1 ILE A 101 5.704 7.609 -35.926 1.00 0.00 C ATOM 0 H ILE A 101 7.921 11.583 -36.779 1.00 0.00 H new ATOM 0 HA ILE A 101 5.619 10.998 -38.491 1.00 0.00 H new ATOM 0 HB ILE A 101 5.542 10.387 -35.522 1.00 0.00 H new ATOM 0 HG12 ILE A 101 6.236 8.494 -37.793 1.00 0.00 H new ATOM 0 HG13 ILE A 101 7.276 8.950 -36.458 1.00 0.00 H new ATOM 0 HG21 ILE A 101 3.588 9.039 -36.179 1.00 0.00 H new ATOM 0 HG22 ILE A 101 3.406 10.741 -36.664 1.00 0.00 H new ATOM 0 HG23 ILE A 101 3.836 9.512 -37.876 1.00 0.00 H new ATOM 0 HD11 ILE A 101 6.319 6.727 -36.103 1.00 0.00 H new ATOM 0 HD12 ILE A 101 5.732 7.864 -34.867 1.00 0.00 H new ATOM 0 HD13 ILE A 101 4.676 7.400 -36.222 1.00 0.00 H new ATOM 1564 N PHE A 102 4.279 12.877 -37.347 1.00 0.00 N ATOM 1565 CA PHE A 102 3.697 14.148 -36.934 1.00 0.00 C ATOM 1566 C PHE A 102 2.243 13.967 -36.506 1.00 0.00 C ATOM 1567 O PHE A 102 1.466 13.291 -37.179 1.00 0.00 O ATOM 1568 CB PHE A 102 3.782 15.166 -38.073 1.00 0.00 C ATOM 1569 CG PHE A 102 5.110 15.171 -38.774 1.00 0.00 C ATOM 1570 CD1 PHE A 102 5.530 14.067 -39.499 1.00 0.00 C ATOM 1571 CD2 PHE A 102 5.939 16.280 -38.709 1.00 0.00 C ATOM 1572 CE1 PHE A 102 6.752 14.069 -40.144 1.00 0.00 C ATOM 1573 CE2 PHE A 102 7.162 16.288 -39.353 1.00 0.00 C ATOM 1574 CZ PHE A 102 7.568 15.181 -40.073 1.00 0.00 C ATOM 0 H PHE A 102 3.670 12.304 -37.931 1.00 0.00 H new ATOM 0 HA PHE A 102 4.265 14.519 -36.081 1.00 0.00 H new ATOM 0 HB2 PHE A 102 2.998 14.953 -38.799 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.586 16.162 -37.675 1.00 0.00 H new ATOM 0 HD1 PHE A 102 4.895 13.195 -39.561 1.00 0.00 H new ATOM 0 HD2 PHE A 102 5.626 17.148 -38.148 1.00 0.00 H new ATOM 0 HE1 PHE A 102 7.069 13.201 -40.703 1.00 0.00 H new ATOM 0 HE2 PHE A 102 7.799 17.158 -39.293 1.00 0.00 H new ATOM 0 HZ PHE A 102 8.522 15.185 -40.579 1.00 0.00 H new ATOM 1584 N ALA A 103 1.883 14.577 -35.381 1.00 0.00 N ATOM 1585 CA ALA A 103 0.524 14.485 -34.863 1.00 0.00 C ATOM 1586 C ALA A 103 -0.443 15.307 -35.710 1.00 0.00 C ATOM 1587 O ALA A 103 -1.640 15.356 -35.429 1.00 0.00 O ATOM 1588 CB ALA A 103 0.479 14.943 -33.413 1.00 0.00 C ATOM 0 H ALA A 103 2.514 15.140 -34.811 1.00 0.00 H new ATOM 0 HA ALA A 103 0.213 13.442 -34.912 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -0.542 14.869 -33.040 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.132 14.311 -32.811 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.815 15.978 -33.348 1.00 0.00 H new ATOM 1594 N ARG A 104 0.086 15.951 -36.745 1.00 0.00 N ATOM 1595 CA ARG A 104 -0.730 16.773 -37.631 1.00 0.00 C ATOM 1596 C ARG A 104 -0.564 16.337 -39.084 1.00 0.00 C ATOM 1597 O ARG A 104 0.556 16.172 -39.568 1.00 0.00 O ATOM 1598 CB ARG A 104 -0.354 18.248 -37.483 1.00 0.00 C ATOM 1599 CG ARG A 104 -1.408 19.202 -38.021 1.00 0.00 C ATOM 1600 CD ARG A 104 -1.313 20.568 -37.360 1.00 0.00 C ATOM 1601 NE ARG A 104 -1.638 20.511 -35.938 1.00 0.00 N ATOM 1602 CZ ARG A 104 -1.333 21.475 -35.075 1.00 0.00 C ATOM 1603 NH1 ARG A 104 -0.700 22.563 -35.489 1.00 0.00 N ATOM 1604 NH2 ARG A 104 -1.663 21.350 -33.796 1.00 0.00 N ATOM 0 H ARG A 104 1.075 15.920 -36.991 1.00 0.00 H new ATOM 0 HA ARG A 104 -1.774 16.642 -37.348 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -0.182 18.466 -36.429 1.00 0.00 H new ATOM 0 HB3 ARG A 104 0.587 18.428 -38.003 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -1.287 19.309 -39.099 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -2.400 18.783 -37.852 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -0.305 20.962 -37.486 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -1.991 21.260 -37.859 1.00 0.00 H new ATOM 0 HE ARG A 104 -2.126 19.687 -35.587 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -0.446 22.662 -36.472 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -0.467 23.301 -34.825 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -2.151 20.514 -33.475 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -1.429 22.090 -33.134 1.00 0.00 H new ATOM 1618 N SER A 105 -1.685 16.152 -39.773 1.00 0.00 N ATOM 1619 CA SER A 105 -1.663 15.732 -41.169 1.00 0.00 C ATOM 1620 C SER A 105 -0.954 16.767 -42.038 1.00 0.00 C ATOM 1621 O SER A 105 -0.103 16.425 -42.858 1.00 0.00 O ATOM 1622 CB SER A 105 -3.088 15.511 -41.680 1.00 0.00 C ATOM 1623 OG SER A 105 -3.902 16.642 -41.423 1.00 0.00 O ATOM 0 H SER A 105 -2.620 16.286 -39.387 1.00 0.00 H new ATOM 0 HA SER A 105 -1.112 14.793 -41.231 1.00 0.00 H new ATOM 0 HB2 SER A 105 -3.067 15.310 -42.751 1.00 0.00 H new ATOM 0 HB3 SER A 105 -3.518 14.632 -41.199 1.00 0.00 H new ATOM 0 HG SER A 105 -4.807 16.477 -41.760 1.00 0.00 H new ATOM 1629 N GLU A 106 -1.312 18.033 -41.850 1.00 0.00 N ATOM 1630 CA GLU A 106 -0.711 19.118 -42.616 1.00 0.00 C ATOM 1631 C GLU A 106 0.795 19.181 -42.381 1.00 0.00 C ATOM 1632 O GLU A 106 1.554 19.594 -43.256 1.00 0.00 O ATOM 1633 CB GLU A 106 -1.353 20.455 -42.240 1.00 0.00 C ATOM 1634 CG GLU A 106 -0.447 21.652 -42.471 1.00 0.00 C ATOM 1635 CD GLU A 106 0.413 21.973 -41.264 1.00 0.00 C ATOM 1636 OE1 GLU A 106 -0.148 22.398 -40.233 1.00 0.00 O ATOM 1637 OE2 GLU A 106 1.647 21.801 -41.351 1.00 0.00 O ATOM 0 H GLU A 106 -2.015 18.332 -41.174 1.00 0.00 H new ATOM 0 HA GLU A 106 -0.889 18.923 -43.674 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -2.267 20.585 -42.819 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -1.643 20.427 -41.190 1.00 0.00 H new ATOM 0 HG2 GLU A 106 0.196 21.456 -43.329 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -1.056 22.521 -42.720 1.00 0.00 H new ATOM 1644 N ASN A 107 1.220 18.768 -41.191 1.00 0.00 N ATOM 1645 CA ASN A 107 2.635 18.778 -40.838 1.00 0.00 C ATOM 1646 C ASN A 107 3.418 17.793 -41.701 1.00 0.00 C ATOM 1647 O ASN A 107 4.435 18.146 -42.299 1.00 0.00 O ATOM 1648 CB ASN A 107 2.816 18.434 -39.359 1.00 0.00 C ATOM 1649 CG ASN A 107 2.589 19.630 -38.454 1.00 0.00 C ATOM 1650 OD1 ASN A 107 1.796 20.517 -38.769 1.00 0.00 O ATOM 1651 ND2 ASN A 107 3.286 19.658 -37.324 1.00 0.00 N ATOM 0 H ASN A 107 0.604 18.422 -40.455 1.00 0.00 H new ATOM 0 HA ASN A 107 3.022 19.781 -41.020 1.00 0.00 H new ATOM 0 HB2 ASN A 107 2.122 17.639 -39.086 1.00 0.00 H new ATOM 0 HB3 ASN A 107 3.823 18.047 -39.199 1.00 0.00 H new ATOM 0 HD21 ASN A 107 3.175 20.438 -36.676 1.00 0.00 H new ATOM 0 HD22 ASN A 107 3.932 18.900 -37.104 1.00 0.00 H new ATOM 1658 N LEU A 108 2.937 16.556 -41.761 1.00 0.00 N ATOM 1659 CA LEU A 108 3.590 15.519 -42.552 1.00 0.00 C ATOM 1660 C LEU A 108 3.765 15.966 -43.999 1.00 0.00 C ATOM 1661 O LEU A 108 4.872 15.942 -44.539 1.00 0.00 O ATOM 1662 CB LEU A 108 2.778 14.224 -42.500 1.00 0.00 C ATOM 1663 CG LEU A 108 3.269 13.087 -43.398 1.00 0.00 C ATOM 1664 CD1 LEU A 108 4.701 12.711 -43.047 1.00 0.00 C ATOM 1665 CD2 LEU A 108 2.353 11.878 -43.277 1.00 0.00 C ATOM 0 H LEU A 108 2.097 16.247 -41.271 1.00 0.00 H new ATOM 0 HA LEU A 108 4.577 15.339 -42.126 1.00 0.00 H new ATOM 0 HB2 LEU A 108 2.766 13.867 -41.470 1.00 0.00 H new ATOM 0 HB3 LEU A 108 1.747 14.454 -42.770 1.00 0.00 H new ATOM 0 HG LEU A 108 3.248 13.431 -44.432 1.00 0.00 H new ATOM 0 HD11 LEU A 108 5.034 11.901 -43.696 1.00 0.00 H new ATOM 0 HD12 LEU A 108 5.349 13.576 -43.186 1.00 0.00 H new ATOM 0 HD13 LEU A 108 4.748 12.386 -42.008 1.00 0.00 H new ATOM 0 HD21 LEU A 108 2.718 11.079 -43.923 1.00 0.00 H new ATOM 0 HD22 LEU A 108 2.341 11.532 -42.243 1.00 0.00 H new ATOM 0 HD23 LEU A 108 1.343 12.155 -43.578 1.00 0.00 H new ATOM 1677 N LYS A 109 2.666 16.376 -44.623 1.00 0.00 N ATOM 1678 CA LYS A 109 2.697 16.833 -46.008 1.00 0.00 C ATOM 1679 C LYS A 109 3.762 17.907 -46.203 1.00 0.00 C ATOM 1680 O LYS A 109 4.565 17.836 -47.133 1.00 0.00 O ATOM 1681 CB LYS A 109 1.327 17.378 -46.417 1.00 0.00 C ATOM 1682 CG LYS A 109 0.183 16.419 -46.140 1.00 0.00 C ATOM 1683 CD LYS A 109 -0.978 16.643 -47.095 1.00 0.00 C ATOM 1684 CE LYS A 109 -0.786 15.876 -48.394 1.00 0.00 C ATOM 1685 NZ LYS A 109 -0.604 14.418 -48.156 1.00 0.00 N ATOM 0 H LYS A 109 1.742 16.401 -44.192 1.00 0.00 H new ATOM 0 HA LYS A 109 2.946 15.981 -46.640 1.00 0.00 H new ATOM 0 HB2 LYS A 109 1.144 18.312 -45.886 1.00 0.00 H new ATOM 0 HB3 LYS A 109 1.342 17.614 -47.481 1.00 0.00 H new ATOM 0 HG2 LYS A 109 0.538 15.392 -46.232 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -0.160 16.547 -45.113 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -1.907 16.329 -46.620 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -1.074 17.707 -47.310 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -1.650 16.033 -49.040 1.00 0.00 H new ATOM 0 HE3 LYS A 109 0.083 16.269 -48.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -0.926 13.887 -48.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 0.402 14.217 -47.984 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -1.161 14.129 -47.326 1.00 0.00 H new ATOM 1699 N ILE A 110 3.764 18.899 -45.319 1.00 0.00 N ATOM 1700 CA ILE A 110 4.733 19.986 -45.394 1.00 0.00 C ATOM 1701 C ILE A 110 6.153 19.472 -45.181 1.00 0.00 C ATOM 1702 O ILE A 110 7.120 20.079 -45.642 1.00 0.00 O ATOM 1703 CB ILE A 110 4.433 21.079 -44.351 1.00 0.00 C ATOM 1704 CG1 ILE A 110 3.170 21.851 -44.738 1.00 0.00 C ATOM 1705 CG2 ILE A 110 5.618 22.024 -44.220 1.00 0.00 C ATOM 1706 CD1 ILE A 110 2.736 22.860 -43.699 1.00 0.00 C ATOM 0 H ILE A 110 3.106 18.973 -44.543 1.00 0.00 H new ATOM 0 HA ILE A 110 4.650 20.415 -46.393 1.00 0.00 H new ATOM 0 HB ILE A 110 4.263 20.603 -43.385 1.00 0.00 H new ATOM 0 HG12 ILE A 110 3.344 22.366 -45.683 1.00 0.00 H new ATOM 0 HG13 ILE A 110 2.359 21.143 -44.906 1.00 0.00 H new ATOM 0 HG21 ILE A 110 5.391 22.791 -43.480 1.00 0.00 H new ATOM 0 HG22 ILE A 110 6.498 21.463 -43.904 1.00 0.00 H new ATOM 0 HG23 ILE A 110 5.815 22.496 -45.183 1.00 0.00 H new ATOM 0 HD11 ILE A 110 1.835 23.369 -44.041 1.00 0.00 H new ATOM 0 HD12 ILE A 110 2.529 22.348 -42.759 1.00 0.00 H new ATOM 0 HD13 ILE A 110 3.530 23.591 -43.547 1.00 0.00 H new ATOM 1718 N HIS A 111 6.271 18.348 -44.481 1.00 0.00 N ATOM 1719 CA HIS A 111 7.573 17.750 -44.209 1.00 0.00 C ATOM 1720 C HIS A 111 8.073 16.963 -45.417 1.00 0.00 C ATOM 1721 O HIS A 111 9.243 17.054 -45.790 1.00 0.00 O ATOM 1722 CB HIS A 111 7.492 16.834 -42.987 1.00 0.00 C ATOM 1723 CG HIS A 111 8.628 15.862 -42.891 1.00 0.00 C ATOM 1724 ND1 HIS A 111 9.905 16.231 -42.525 1.00 0.00 N ATOM 1725 CD2 HIS A 111 8.673 14.528 -43.114 1.00 0.00 C ATOM 1726 CE1 HIS A 111 10.687 15.166 -42.529 1.00 0.00 C ATOM 1727 NE2 HIS A 111 9.963 14.119 -42.882 1.00 0.00 N ATOM 0 H HIS A 111 5.481 17.833 -44.092 1.00 0.00 H new ATOM 0 HA HIS A 111 8.279 18.555 -44.004 1.00 0.00 H new ATOM 0 HB2 HIS A 111 7.471 17.446 -42.085 1.00 0.00 H new ATOM 0 HB3 HIS A 111 6.553 16.281 -43.019 1.00 0.00 H new ATOM 0 HD2 HIS A 111 7.848 13.901 -43.418 1.00 0.00 H new ATOM 0 HE1 HIS A 111 11.739 15.154 -42.285 1.00 0.00 H new ATOM 0 HE2 HIS A 111 10.306 13.162 -42.968 1.00 0.00 H new ATOM 1735 N LYS A 112 7.179 16.191 -46.025 1.00 0.00 N ATOM 1736 CA LYS A 112 7.527 15.388 -47.191 1.00 0.00 C ATOM 1737 C LYS A 112 8.086 16.265 -48.308 1.00 0.00 C ATOM 1738 O LYS A 112 8.929 15.827 -49.091 1.00 0.00 O ATOM 1739 CB LYS A 112 6.301 14.623 -47.694 1.00 0.00 C ATOM 1740 CG LYS A 112 5.913 13.449 -46.812 1.00 0.00 C ATOM 1741 CD LYS A 112 4.416 13.193 -46.851 1.00 0.00 C ATOM 1742 CE LYS A 112 3.951 12.812 -48.248 1.00 0.00 C ATOM 1743 NZ LYS A 112 3.595 14.008 -49.059 1.00 0.00 N ATOM 0 H LYS A 112 6.207 16.104 -45.729 1.00 0.00 H new ATOM 0 HA LYS A 112 8.295 14.675 -46.893 1.00 0.00 H new ATOM 0 HB2 LYS A 112 5.457 15.310 -47.762 1.00 0.00 H new ATOM 0 HB3 LYS A 112 6.498 14.259 -48.702 1.00 0.00 H new ATOM 0 HG2 LYS A 112 6.444 12.555 -47.140 1.00 0.00 H new ATOM 0 HG3 LYS A 112 6.223 13.646 -45.786 1.00 0.00 H new ATOM 0 HD2 LYS A 112 4.164 12.395 -46.153 1.00 0.00 H new ATOM 0 HD3 LYS A 112 3.885 14.085 -46.520 1.00 0.00 H new ATOM 0 HE2 LYS A 112 4.738 12.252 -48.753 1.00 0.00 H new ATOM 0 HE3 LYS A 112 3.087 12.152 -48.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.828 13.765 -49.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 3.280 14.773 -48.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 4.427 14.323 -49.597 1.00 0.00 H new ATOM 1757 N ARG A 113 7.611 17.504 -48.374 1.00 0.00 N ATOM 1758 CA ARG A 113 8.064 18.442 -49.395 1.00 0.00 C ATOM 1759 C ARG A 113 9.388 19.085 -48.993 1.00 0.00 C ATOM 1760 O ARG A 113 10.154 19.539 -49.844 1.00 0.00 O ATOM 1761 CB ARG A 113 7.009 19.525 -49.626 1.00 0.00 C ATOM 1762 CG ARG A 113 6.579 20.238 -48.354 1.00 0.00 C ATOM 1763 CD ARG A 113 5.768 21.487 -48.663 1.00 0.00 C ATOM 1764 NE ARG A 113 6.613 22.592 -49.106 1.00 0.00 N ATOM 1765 CZ ARG A 113 6.161 23.822 -49.324 1.00 0.00 C ATOM 1766 NH1 ARG A 113 4.879 24.103 -49.139 1.00 0.00 N ATOM 1767 NH2 ARG A 113 6.993 24.775 -49.726 1.00 0.00 N ATOM 0 H ARG A 113 6.913 17.882 -47.733 1.00 0.00 H new ATOM 0 HA ARG A 113 8.215 17.887 -50.321 1.00 0.00 H new ATOM 0 HB2 ARG A 113 7.402 20.259 -50.329 1.00 0.00 H new ATOM 0 HB3 ARG A 113 6.134 19.074 -50.093 1.00 0.00 H new ATOM 0 HG2 ARG A 113 5.986 19.561 -47.739 1.00 0.00 H new ATOM 0 HG3 ARG A 113 7.460 20.509 -47.772 1.00 0.00 H new ATOM 0 HD2 ARG A 113 5.033 21.260 -49.436 1.00 0.00 H new ATOM 0 HD3 ARG A 113 5.214 21.788 -47.774 1.00 0.00 H new ATOM 0 HE ARG A 113 7.605 22.410 -49.256 1.00 0.00 H new ATOM 0 HH11 ARG A 113 4.237 23.374 -48.828 1.00 0.00 H new ATOM 0 HH12 ARG A 113 4.535 25.048 -49.307 1.00 0.00 H new ATOM 0 HH21 ARG A 113 7.981 24.563 -49.868 1.00 0.00 H new ATOM 0 HH22 ARG A 113 6.645 25.719 -49.893 1.00 0.00 H new ATOM 1884 N PHE A 121 19.312 7.630 -53.837 1.00 0.00 N ATOM 1885 CA PHE A 121 20.155 6.987 -54.837 1.00 0.00 C ATOM 1886 C PHE A 121 19.697 7.347 -56.248 1.00 0.00 C ATOM 1887 O PHE A 121 18.667 6.867 -56.720 1.00 0.00 O ATOM 1888 CB PHE A 121 20.133 5.468 -54.654 1.00 0.00 C ATOM 1889 CG PHE A 121 20.740 5.012 -53.358 1.00 0.00 C ATOM 1890 CD1 PHE A 121 19.981 4.968 -52.200 1.00 0.00 C ATOM 1891 CD2 PHE A 121 22.070 4.627 -53.298 1.00 0.00 C ATOM 1892 CE1 PHE A 121 20.536 4.548 -51.006 1.00 0.00 C ATOM 1893 CE2 PHE A 121 22.630 4.206 -52.107 1.00 0.00 C ATOM 1894 CZ PHE A 121 21.863 4.168 -50.959 1.00 0.00 C ATOM 0 HA PHE A 121 21.175 7.348 -54.702 1.00 0.00 H new ATOM 0 HB2 PHE A 121 19.102 5.119 -54.706 1.00 0.00 H new ATOM 0 HB3 PHE A 121 20.669 5.003 -55.481 1.00 0.00 H new ATOM 0 HD1 PHE A 121 18.943 5.265 -52.231 1.00 0.00 H new ATOM 0 HD2 PHE A 121 22.675 4.656 -54.192 1.00 0.00 H new ATOM 0 HE1 PHE A 121 19.933 4.517 -50.111 1.00 0.00 H new ATOM 0 HE2 PHE A 121 23.667 3.907 -52.074 1.00 0.00 H new ATOM 0 HZ PHE A 121 22.300 3.842 -50.027 1.00 0.00 H new ATOM 1904 N LYS A 122 20.471 8.197 -56.916 1.00 0.00 N ATOM 1905 CA LYS A 122 20.147 8.622 -58.272 1.00 0.00 C ATOM 1906 C LYS A 122 21.213 8.154 -59.258 1.00 0.00 C ATOM 1907 O LYS A 122 22.410 8.256 -58.989 1.00 0.00 O ATOM 1908 CB LYS A 122 20.015 10.146 -58.333 1.00 0.00 C ATOM 1909 CG LYS A 122 19.682 10.673 -59.718 1.00 0.00 C ATOM 1910 CD LYS A 122 19.085 12.069 -59.654 1.00 0.00 C ATOM 1911 CE LYS A 122 20.167 13.135 -59.584 1.00 0.00 C ATOM 1912 NZ LYS A 122 20.768 13.227 -58.225 1.00 0.00 N ATOM 0 H LYS A 122 21.327 8.605 -56.540 1.00 0.00 H new ATOM 0 HA LYS A 122 19.195 8.169 -58.550 1.00 0.00 H new ATOM 0 HB2 LYS A 122 19.239 10.463 -57.637 1.00 0.00 H new ATOM 0 HB3 LYS A 122 20.949 10.597 -57.997 1.00 0.00 H new ATOM 0 HG2 LYS A 122 20.585 10.690 -60.329 1.00 0.00 H new ATOM 0 HG3 LYS A 122 18.979 9.998 -60.206 1.00 0.00 H new ATOM 0 HD2 LYS A 122 18.461 12.240 -60.531 1.00 0.00 H new ATOM 0 HD3 LYS A 122 18.437 12.149 -58.781 1.00 0.00 H new ATOM 0 HE2 LYS A 122 20.947 12.909 -60.311 1.00 0.00 H new ATOM 0 HE3 LYS A 122 19.744 14.101 -59.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 21.023 14.215 -58.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 20.080 12.897 -57.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 21.621 12.634 -58.182 1.00 0.00 H new ATOM 1926 N CYS A 123 20.770 7.642 -60.401 1.00 0.00 N ATOM 1927 CA CYS A 123 21.685 7.160 -61.429 1.00 0.00 C ATOM 1928 C CYS A 123 22.896 8.079 -61.554 1.00 0.00 C ATOM 1929 O CYS A 123 22.780 9.215 -62.013 1.00 0.00 O ATOM 1930 CB CYS A 123 20.966 7.059 -62.775 1.00 0.00 C ATOM 1931 SG CYS A 123 22.034 6.521 -64.150 1.00 0.00 S ATOM 0 H CYS A 123 19.782 7.550 -60.639 1.00 0.00 H new ATOM 0 HA CYS A 123 22.032 6.169 -61.135 1.00 0.00 H new ATOM 0 HB2 CYS A 123 20.135 6.360 -62.679 1.00 0.00 H new ATOM 0 HB3 CYS A 123 20.538 8.031 -63.020 1.00 0.00 H new ATOM 0 HG CYS A 123 21.369 6.580 -65.265 1.00 0.00 H new ATOM 1936 N GLU A 124 24.057 7.579 -61.143 1.00 0.00 N ATOM 1937 CA GLU A 124 25.289 8.357 -61.209 1.00 0.00 C ATOM 1938 C GLU A 124 25.687 8.624 -62.658 1.00 0.00 C ATOM 1939 O GLU A 124 26.574 9.433 -62.931 1.00 0.00 O ATOM 1940 CB GLU A 124 26.421 7.623 -60.486 1.00 0.00 C ATOM 1941 CG GLU A 124 26.666 6.218 -61.008 1.00 0.00 C ATOM 1942 CD GLU A 124 28.037 5.688 -60.634 1.00 0.00 C ATOM 1943 OE1 GLU A 124 28.246 5.369 -59.445 1.00 0.00 O ATOM 1944 OE2 GLU A 124 28.902 5.593 -61.530 1.00 0.00 O ATOM 0 H GLU A 124 24.170 6.640 -60.761 1.00 0.00 H new ATOM 0 HA GLU A 124 25.111 9.313 -60.716 1.00 0.00 H new ATOM 0 HB2 GLU A 124 27.339 8.203 -60.583 1.00 0.00 H new ATOM 0 HB3 GLU A 124 26.188 7.571 -59.422 1.00 0.00 H new ATOM 0 HG2 GLU A 124 25.902 5.549 -60.613 1.00 0.00 H new ATOM 0 HG3 GLU A 124 26.563 6.214 -62.093 1.00 0.00 H new ATOM 1951 N PHE A 125 25.024 7.939 -63.583 1.00 0.00 N ATOM 1952 CA PHE A 125 25.308 8.101 -65.004 1.00 0.00 C ATOM 1953 C PHE A 125 24.802 9.448 -65.510 1.00 0.00 C ATOM 1954 O PHE A 125 23.616 9.757 -65.403 1.00 0.00 O ATOM 1955 CB PHE A 125 24.665 6.968 -65.807 1.00 0.00 C ATOM 1956 CG PHE A 125 25.420 6.614 -67.056 1.00 0.00 C ATOM 1957 CD1 PHE A 125 25.153 7.264 -68.250 1.00 0.00 C ATOM 1958 CD2 PHE A 125 26.397 5.631 -67.036 1.00 0.00 C ATOM 1959 CE1 PHE A 125 25.847 6.941 -69.402 1.00 0.00 C ATOM 1960 CE2 PHE A 125 27.094 5.305 -68.184 1.00 0.00 C ATOM 1961 CZ PHE A 125 26.817 5.959 -69.368 1.00 0.00 C ATOM 0 H PHE A 125 24.286 7.266 -63.374 1.00 0.00 H new ATOM 0 HA PHE A 125 26.389 8.065 -65.139 1.00 0.00 H new ATOM 0 HB2 PHE A 125 24.589 6.083 -65.175 1.00 0.00 H new ATOM 0 HB3 PHE A 125 23.649 7.256 -66.076 1.00 0.00 H new ATOM 0 HD1 PHE A 125 24.394 8.032 -68.282 1.00 0.00 H new ATOM 0 HD2 PHE A 125 26.616 5.114 -66.113 1.00 0.00 H new ATOM 0 HE1 PHE A 125 25.631 7.456 -70.326 1.00 0.00 H new ATOM 0 HE2 PHE A 125 27.855 4.539 -68.155 1.00 0.00 H new ATOM 0 HZ PHE A 125 27.358 5.703 -70.267 1.00 0.00 H new ATOM 1971 N GLU A 126 25.712 10.246 -66.061 1.00 0.00 N ATOM 1972 CA GLU A 126 25.358 11.561 -66.582 1.00 0.00 C ATOM 1973 C GLU A 126 24.366 11.441 -67.736 1.00 0.00 C ATOM 1974 O GLU A 126 24.331 10.430 -68.436 1.00 0.00 O ATOM 1975 CB GLU A 126 26.612 12.304 -67.049 1.00 0.00 C ATOM 1976 CG GLU A 126 26.694 12.472 -68.557 1.00 0.00 C ATOM 1977 CD GLU A 126 25.873 13.644 -69.059 1.00 0.00 C ATOM 1978 OE1 GLU A 126 26.063 14.765 -68.543 1.00 0.00 O ATOM 1979 OE2 GLU A 126 25.039 13.440 -69.966 1.00 0.00 O ATOM 0 H GLU A 126 26.698 10.005 -66.158 1.00 0.00 H new ATOM 0 HA GLU A 126 24.887 12.127 -65.778 1.00 0.00 H new ATOM 0 HB2 GLU A 126 26.637 13.288 -66.580 1.00 0.00 H new ATOM 0 HB3 GLU A 126 27.494 11.764 -66.704 1.00 0.00 H new ATOM 0 HG2 GLU A 126 27.735 12.612 -68.847 1.00 0.00 H new ATOM 0 HG3 GLU A 126 26.349 11.558 -69.040 1.00 0.00 H new ATOM 1986 N GLY A 127 23.560 12.481 -67.927 1.00 0.00 N ATOM 1987 CA GLY A 127 22.578 12.472 -68.995 1.00 0.00 C ATOM 1988 C GLY A 127 21.503 11.425 -68.786 1.00 0.00 C ATOM 1989 O GLY A 127 20.689 11.172 -69.675 1.00 0.00 O ATOM 0 H GLY A 127 23.570 13.330 -67.361 1.00 0.00 H new ATOM 0 HA2 GLY A 127 22.114 13.456 -69.066 1.00 0.00 H new ATOM 0 HA3 GLY A 127 23.080 12.288 -69.945 1.00 0.00 H new ATOM 1993 N CYS A 128 21.499 10.810 -67.607 1.00 0.00 N ATOM 1994 CA CYS A 128 20.518 9.782 -67.283 1.00 0.00 C ATOM 1995 C CYS A 128 19.585 10.251 -66.170 1.00 0.00 C ATOM 1996 O CYS A 128 20.005 10.949 -65.247 1.00 0.00 O ATOM 1997 CB CYS A 128 21.221 8.490 -66.863 1.00 0.00 C ATOM 1998 SG CYS A 128 20.278 6.976 -67.233 1.00 0.00 S ATOM 0 H CYS A 128 22.165 11.007 -66.860 1.00 0.00 H new ATOM 0 HA CYS A 128 19.923 9.590 -68.176 1.00 0.00 H new ATOM 0 HB2 CYS A 128 22.187 8.435 -67.365 1.00 0.00 H new ATOM 0 HB3 CYS A 128 21.420 8.529 -65.792 1.00 0.00 H new ATOM 0 HG CYS A 128 20.589 6.551 -68.422 1.00 0.00 H new ATOM 2003 N ASP A 129 18.318 9.863 -66.265 1.00 0.00 N ATOM 2004 CA ASP A 129 17.326 10.242 -65.266 1.00 0.00 C ATOM 2005 C ASP A 129 16.639 9.009 -64.687 1.00 0.00 C ATOM 2006 O ASP A 129 15.830 8.365 -65.355 1.00 0.00 O ATOM 2007 CB ASP A 129 16.284 11.179 -65.881 1.00 0.00 C ATOM 2008 CG ASP A 129 16.917 12.347 -66.613 1.00 0.00 C ATOM 2009 OD1 ASP A 129 17.670 13.110 -65.973 1.00 0.00 O ATOM 2010 OD2 ASP A 129 16.657 12.497 -67.826 1.00 0.00 O ATOM 0 H ASP A 129 17.954 9.286 -67.023 1.00 0.00 H new ATOM 0 HA ASP A 129 17.841 10.762 -64.458 1.00 0.00 H new ATOM 0 HB2 ASP A 129 15.657 10.617 -66.573 1.00 0.00 H new ATOM 0 HB3 ASP A 129 15.631 11.557 -65.095 1.00 0.00 H new ATOM 2015 N ARG A 130 16.969 8.686 -63.440 1.00 0.00 N ATOM 2016 CA ARG A 130 16.386 7.529 -62.772 1.00 0.00 C ATOM 2017 C ARG A 130 16.174 7.808 -61.287 1.00 0.00 C ATOM 2018 O ARG A 130 16.436 8.912 -60.809 1.00 0.00 O ATOM 2019 CB ARG A 130 17.286 6.305 -62.948 1.00 0.00 C ATOM 2020 CG ARG A 130 17.706 6.059 -64.388 1.00 0.00 C ATOM 2021 CD ARG A 130 16.554 5.518 -65.220 1.00 0.00 C ATOM 2022 NE ARG A 130 16.841 5.569 -66.651 1.00 0.00 N ATOM 2023 CZ ARG A 130 16.219 4.817 -67.552 1.00 0.00 C ATOM 2024 NH1 ARG A 130 15.280 3.961 -67.173 1.00 0.00 N ATOM 2025 NH2 ARG A 130 16.536 4.921 -68.837 1.00 0.00 N ATOM 0 H ARG A 130 17.636 9.209 -62.873 1.00 0.00 H new ATOM 0 HA ARG A 130 15.417 7.328 -63.228 1.00 0.00 H new ATOM 0 HB2 ARG A 130 18.178 6.430 -62.335 1.00 0.00 H new ATOM 0 HB3 ARG A 130 16.764 5.424 -62.575 1.00 0.00 H new ATOM 0 HG2 ARG A 130 18.068 6.989 -64.827 1.00 0.00 H new ATOM 0 HG3 ARG A 130 18.536 5.352 -64.410 1.00 0.00 H new ATOM 0 HD2 ARG A 130 16.348 4.488 -64.928 1.00 0.00 H new ATOM 0 HD3 ARG A 130 15.653 6.095 -65.010 1.00 0.00 H new ATOM 0 HE ARG A 130 17.558 6.217 -66.976 1.00 0.00 H new ATOM 0 HH11 ARG A 130 15.033 3.878 -66.187 1.00 0.00 H new ATOM 0 HH12 ARG A 130 14.804 3.385 -67.868 1.00 0.00 H new ATOM 0 HH21 ARG A 130 17.257 5.579 -69.133 1.00 0.00 H new ATOM 0 HH22 ARG A 130 16.058 4.343 -69.529 1.00 0.00 H new ATOM 2039 N ARG A 131 15.697 6.801 -60.563 1.00 0.00 N ATOM 2040 CA ARG A 131 15.448 6.939 -59.133 1.00 0.00 C ATOM 2041 C ARG A 131 15.631 5.604 -58.418 1.00 0.00 C ATOM 2042 O ARG A 131 15.033 4.597 -58.798 1.00 0.00 O ATOM 2043 CB ARG A 131 14.035 7.471 -58.889 1.00 0.00 C ATOM 2044 CG ARG A 131 13.700 8.709 -59.705 1.00 0.00 C ATOM 2045 CD ARG A 131 12.334 9.266 -59.338 1.00 0.00 C ATOM 2046 NE ARG A 131 12.027 10.491 -60.071 1.00 0.00 N ATOM 2047 CZ ARG A 131 10.795 10.960 -60.235 1.00 0.00 C ATOM 2048 NH1 ARG A 131 9.760 10.310 -59.722 1.00 0.00 N ATOM 2049 NH2 ARG A 131 10.597 12.083 -60.915 1.00 0.00 N ATOM 0 H ARG A 131 15.475 5.881 -60.943 1.00 0.00 H new ATOM 0 HA ARG A 131 16.171 7.649 -58.731 1.00 0.00 H new ATOM 0 HB2 ARG A 131 13.315 6.687 -59.123 1.00 0.00 H new ATOM 0 HB3 ARG A 131 13.921 7.703 -57.830 1.00 0.00 H new ATOM 0 HG2 ARG A 131 14.461 9.472 -59.540 1.00 0.00 H new ATOM 0 HG3 ARG A 131 13.720 8.463 -60.767 1.00 0.00 H new ATOM 0 HD2 ARG A 131 11.570 8.518 -59.547 1.00 0.00 H new ATOM 0 HD3 ARG A 131 12.300 9.466 -58.267 1.00 0.00 H new ATOM 0 HE ARG A 131 12.801 11.015 -60.479 1.00 0.00 H new ATOM 0 HH11 ARG A 131 9.908 9.447 -59.199 1.00 0.00 H new ATOM 0 HH12 ARG A 131 8.815 10.673 -59.850 1.00 0.00 H new ATOM 0 HH21 ARG A 131 11.391 12.586 -61.312 1.00 0.00 H new ATOM 0 HH22 ARG A 131 9.651 12.443 -61.041 1.00 0.00 H new ATOM 2063 N PHE A 132 16.462 5.603 -57.381 1.00 0.00 N ATOM 2064 CA PHE A 132 16.725 4.391 -56.614 1.00 0.00 C ATOM 2065 C PHE A 132 16.726 4.685 -55.116 1.00 0.00 C ATOM 2066 O PHE A 132 16.874 5.833 -54.698 1.00 0.00 O ATOM 2067 CB PHE A 132 18.067 3.782 -57.026 1.00 0.00 C ATOM 2068 CG PHE A 132 18.186 3.538 -58.503 1.00 0.00 C ATOM 2069 CD1 PHE A 132 17.652 2.394 -59.074 1.00 0.00 C ATOM 2070 CD2 PHE A 132 18.831 4.452 -59.320 1.00 0.00 C ATOM 2071 CE1 PHE A 132 17.761 2.166 -60.433 1.00 0.00 C ATOM 2072 CE2 PHE A 132 18.942 4.230 -60.680 1.00 0.00 C ATOM 2073 CZ PHE A 132 18.406 3.086 -61.237 1.00 0.00 C ATOM 0 H PHE A 132 16.965 6.428 -57.053 1.00 0.00 H new ATOM 0 HA PHE A 132 15.929 3.677 -56.826 1.00 0.00 H new ATOM 0 HB2 PHE A 132 18.871 4.447 -56.710 1.00 0.00 H new ATOM 0 HB3 PHE A 132 18.207 2.839 -56.498 1.00 0.00 H new ATOM 0 HD1 PHE A 132 17.145 1.673 -58.450 1.00 0.00 H new ATOM 0 HD2 PHE A 132 19.252 5.349 -58.889 1.00 0.00 H new ATOM 0 HE1 PHE A 132 17.342 1.270 -60.866 1.00 0.00 H new ATOM 0 HE2 PHE A 132 19.447 4.951 -61.306 1.00 0.00 H new ATOM 0 HZ PHE A 132 18.491 2.911 -62.299 1.00 0.00 H new ATOM 2083 N ALA A 133 16.559 3.638 -54.314 1.00 0.00 N ATOM 2084 CA ALA A 133 16.542 3.783 -52.864 1.00 0.00 C ATOM 2085 C ALA A 133 17.657 2.968 -52.217 1.00 0.00 C ATOM 2086 O ALA A 133 17.933 3.111 -51.027 1.00 0.00 O ATOM 2087 CB ALA A 133 15.189 3.364 -52.308 1.00 0.00 C ATOM 0 H ALA A 133 16.434 2.681 -54.644 1.00 0.00 H new ATOM 0 HA ALA A 133 16.711 4.833 -52.627 1.00 0.00 H new ATOM 0 HB1 ALA A 133 15.190 3.477 -51.224 1.00 0.00 H new ATOM 0 HB2 ALA A 133 14.409 3.992 -52.738 1.00 0.00 H new ATOM 0 HB3 ALA A 133 14.997 2.322 -52.564 1.00 0.00 H new ATOM 2093 N ASN A 134 18.294 2.112 -53.010 1.00 0.00 N ATOM 2094 CA ASN A 134 19.378 1.273 -52.514 1.00 0.00 C ATOM 2095 C ASN A 134 20.515 1.196 -53.528 1.00 0.00 C ATOM 2096 O ASN A 134 20.282 1.028 -54.725 1.00 0.00 O ATOM 2097 CB ASN A 134 18.861 -0.133 -52.203 1.00 0.00 C ATOM 2098 CG ASN A 134 17.881 -0.633 -53.246 1.00 0.00 C ATOM 2099 OD1 ASN A 134 18.211 -1.491 -54.065 1.00 0.00 O ATOM 2100 ND2 ASN A 134 16.666 -0.096 -53.221 1.00 0.00 N ATOM 0 H ASN A 134 18.078 1.982 -53.998 1.00 0.00 H new ATOM 0 HA ASN A 134 19.762 1.723 -51.598 1.00 0.00 H new ATOM 0 HB2 ASN A 134 19.704 -0.821 -52.141 1.00 0.00 H new ATOM 0 HB3 ASN A 134 18.378 -0.132 -51.226 1.00 0.00 H new ATOM 0 HD21 ASN A 134 15.963 -0.392 -53.899 1.00 0.00 H new ATOM 0 HD22 ASN A 134 16.436 0.612 -52.524 1.00 0.00 H new ATOM 2107 N SER A 135 21.745 1.321 -53.041 1.00 0.00 N ATOM 2108 CA SER A 135 22.918 1.269 -53.906 1.00 0.00 C ATOM 2109 C SER A 135 22.879 0.035 -54.802 1.00 0.00 C ATOM 2110 O SER A 135 23.433 0.034 -55.901 1.00 0.00 O ATOM 2111 CB SER A 135 24.197 1.262 -53.066 1.00 0.00 C ATOM 2112 OG SER A 135 25.308 1.706 -53.825 1.00 0.00 O ATOM 0 H SER A 135 21.955 1.459 -52.053 1.00 0.00 H new ATOM 0 HA SER A 135 22.911 2.156 -54.539 1.00 0.00 H new ATOM 0 HB2 SER A 135 24.067 1.905 -52.195 1.00 0.00 H new ATOM 0 HB3 SER A 135 24.386 0.255 -52.694 1.00 0.00 H new ATOM 0 HG SER A 135 26.112 1.694 -53.265 1.00 0.00 H new ATOM 2118 N SER A 136 22.219 -1.015 -54.323 1.00 0.00 N ATOM 2119 CA SER A 136 22.109 -2.258 -55.078 1.00 0.00 C ATOM 2120 C SER A 136 21.276 -2.055 -56.340 1.00 0.00 C ATOM 2121 O SER A 136 21.728 -2.342 -57.448 1.00 0.00 O ATOM 2122 CB SER A 136 21.485 -3.353 -54.211 1.00 0.00 C ATOM 2123 OG SER A 136 22.137 -3.443 -52.956 1.00 0.00 O ATOM 0 H SER A 136 21.753 -1.030 -53.416 1.00 0.00 H new ATOM 0 HA SER A 136 23.112 -2.566 -55.372 1.00 0.00 H new ATOM 0 HB2 SER A 136 20.426 -3.143 -54.060 1.00 0.00 H new ATOM 0 HB3 SER A 136 21.549 -4.311 -54.727 1.00 0.00 H new ATOM 0 HG SER A 136 21.719 -4.149 -52.420 1.00 0.00 H new ATOM 2129 N ASP A 137 20.056 -1.560 -56.162 1.00 0.00 N ATOM 2130 CA ASP A 137 19.158 -1.317 -57.285 1.00 0.00 C ATOM 2131 C ASP A 137 19.806 -0.391 -58.309 1.00 0.00 C ATOM 2132 O ASP A 137 19.704 -0.614 -59.515 1.00 0.00 O ATOM 2133 CB ASP A 137 17.842 -0.712 -56.792 1.00 0.00 C ATOM 2134 CG ASP A 137 16.841 -1.770 -56.370 1.00 0.00 C ATOM 2135 OD1 ASP A 137 16.792 -2.833 -57.022 1.00 0.00 O ATOM 2136 OD2 ASP A 137 16.107 -1.533 -55.388 1.00 0.00 O ATOM 0 H ASP A 137 19.666 -1.319 -55.251 1.00 0.00 H new ATOM 0 HA ASP A 137 18.952 -2.273 -57.766 1.00 0.00 H new ATOM 0 HB2 ASP A 137 18.043 -0.050 -55.950 1.00 0.00 H new ATOM 0 HB3 ASP A 137 17.408 -0.100 -57.583 1.00 0.00 H new ATOM 2141 N ARG A 138 20.472 0.650 -57.819 1.00 0.00 N ATOM 2142 CA ARG A 138 21.135 1.612 -58.692 1.00 0.00 C ATOM 2143 C ARG A 138 22.208 0.931 -59.536 1.00 0.00 C ATOM 2144 O ARG A 138 22.276 1.126 -60.750 1.00 0.00 O ATOM 2145 CB ARG A 138 21.760 2.737 -57.865 1.00 0.00 C ATOM 2146 CG ARG A 138 22.914 3.437 -58.563 1.00 0.00 C ATOM 2147 CD ARG A 138 23.094 4.858 -58.053 1.00 0.00 C ATOM 2148 NE ARG A 138 23.812 4.897 -56.782 1.00 0.00 N ATOM 2149 CZ ARG A 138 25.132 4.797 -56.680 1.00 0.00 C ATOM 2150 NH1 ARG A 138 25.875 4.653 -57.769 1.00 0.00 N ATOM 2151 NH2 ARG A 138 25.712 4.841 -55.488 1.00 0.00 N ATOM 0 H ARG A 138 20.567 0.849 -56.823 1.00 0.00 H new ATOM 0 HA ARG A 138 20.385 2.035 -59.361 1.00 0.00 H new ATOM 0 HB2 ARG A 138 20.991 3.472 -57.627 1.00 0.00 H new ATOM 0 HB3 ARG A 138 22.113 2.328 -56.919 1.00 0.00 H new ATOM 0 HG2 ARG A 138 23.833 2.873 -58.404 1.00 0.00 H new ATOM 0 HG3 ARG A 138 22.733 3.455 -59.638 1.00 0.00 H new ATOM 0 HD2 ARG A 138 23.638 5.443 -58.795 1.00 0.00 H new ATOM 0 HD3 ARG A 138 22.117 5.326 -57.932 1.00 0.00 H new ATOM 0 HE ARG A 138 23.269 5.007 -55.925 1.00 0.00 H new ATOM 0 HH11 ARG A 138 25.433 4.619 -58.687 1.00 0.00 H new ATOM 0 HH12 ARG A 138 26.889 4.576 -57.688 1.00 0.00 H new ATOM 0 HH21 ARG A 138 25.144 4.952 -54.648 1.00 0.00 H new ATOM 0 HH22 ARG A 138 26.726 4.764 -55.411 1.00 0.00 H new ATOM 2165 N LYS A 139 23.045 0.130 -58.886 1.00 0.00 N ATOM 2166 CA LYS A 139 24.115 -0.582 -59.576 1.00 0.00 C ATOM 2167 C LYS A 139 23.546 -1.602 -60.556 1.00 0.00 C ATOM 2168 O LYS A 139 24.243 -2.069 -61.457 1.00 0.00 O ATOM 2169 CB LYS A 139 25.024 -1.283 -58.564 1.00 0.00 C ATOM 2170 CG LYS A 139 26.141 -2.088 -59.205 1.00 0.00 C ATOM 2171 CD LYS A 139 26.932 -1.253 -60.198 1.00 0.00 C ATOM 2172 CE LYS A 139 27.417 0.045 -59.571 1.00 0.00 C ATOM 2173 NZ LYS A 139 28.471 0.699 -60.395 1.00 0.00 N ATOM 0 H LYS A 139 23.003 -0.043 -57.882 1.00 0.00 H new ATOM 0 HA LYS A 139 24.700 0.147 -60.137 1.00 0.00 H new ATOM 0 HB2 LYS A 139 25.460 -0.536 -57.901 1.00 0.00 H new ATOM 0 HB3 LYS A 139 24.420 -1.945 -57.944 1.00 0.00 H new ATOM 0 HG2 LYS A 139 26.810 -2.464 -58.431 1.00 0.00 H new ATOM 0 HG3 LYS A 139 25.720 -2.956 -59.712 1.00 0.00 H new ATOM 0 HD2 LYS A 139 27.786 -1.826 -60.558 1.00 0.00 H new ATOM 0 HD3 LYS A 139 26.310 -1.030 -61.065 1.00 0.00 H new ATOM 0 HE2 LYS A 139 26.575 0.727 -59.450 1.00 0.00 H new ATOM 0 HE3 LYS A 139 27.809 -0.157 -58.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 28.775 1.580 -59.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 29.285 0.059 -60.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 28.090 0.915 -61.338 1.00 0.00 H new ATOM 2187 N LYS A 140 22.275 -1.944 -60.376 1.00 0.00 N ATOM 2188 CA LYS A 140 21.610 -2.907 -61.246 1.00 0.00 C ATOM 2189 C LYS A 140 21.167 -2.249 -62.548 1.00 0.00 C ATOM 2190 O LYS A 140 20.934 -2.926 -63.550 1.00 0.00 O ATOM 2191 CB LYS A 140 20.401 -3.519 -60.534 1.00 0.00 C ATOM 2192 CG LYS A 140 20.732 -4.771 -59.740 1.00 0.00 C ATOM 2193 CD LYS A 140 19.648 -5.091 -58.724 1.00 0.00 C ATOM 2194 CE LYS A 140 19.824 -6.484 -58.141 1.00 0.00 C ATOM 2195 NZ LYS A 140 18.539 -7.040 -57.635 1.00 0.00 N ATOM 0 H LYS A 140 21.684 -1.568 -59.635 1.00 0.00 H new ATOM 0 HA LYS A 140 22.323 -3.697 -61.483 1.00 0.00 H new ATOM 0 HB2 LYS A 140 19.971 -2.776 -59.862 1.00 0.00 H new ATOM 0 HB3 LYS A 140 19.638 -3.759 -61.274 1.00 0.00 H new ATOM 0 HG2 LYS A 140 20.853 -5.613 -60.421 1.00 0.00 H new ATOM 0 HG3 LYS A 140 21.684 -4.636 -59.227 1.00 0.00 H new ATOM 0 HD2 LYS A 140 19.671 -4.354 -57.921 1.00 0.00 H new ATOM 0 HD3 LYS A 140 18.670 -5.015 -59.198 1.00 0.00 H new ATOM 0 HE2 LYS A 140 20.232 -7.148 -58.903 1.00 0.00 H new ATOM 0 HE3 LYS A 140 20.549 -6.448 -57.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 18.701 -7.991 -57.246 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 18.162 -6.420 -56.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 17.854 -7.098 -58.416 1.00 0.00 H new ATOM 2209 N HIS A 141 21.053 -0.925 -62.528 1.00 0.00 N ATOM 2210 CA HIS A 141 20.640 -0.174 -63.708 1.00 0.00 C ATOM 2211 C HIS A 141 21.847 0.208 -64.559 1.00 0.00 C ATOM 2212 O HIS A 141 21.703 0.811 -65.622 1.00 0.00 O ATOM 2213 CB HIS A 141 19.872 1.082 -63.297 1.00 0.00 C ATOM 2214 CG HIS A 141 19.789 2.114 -64.379 1.00 0.00 C ATOM 2215 ND1 HIS A 141 18.909 2.027 -65.437 1.00 0.00 N ATOM 2216 CD2 HIS A 141 20.482 3.263 -64.562 1.00 0.00 C ATOM 2217 CE1 HIS A 141 19.065 3.075 -66.225 1.00 0.00 C ATOM 2218 NE2 HIS A 141 20.013 3.841 -65.716 1.00 0.00 N ATOM 0 H HIS A 141 21.241 -0.350 -61.707 1.00 0.00 H new ATOM 0 HA HIS A 141 19.986 -0.811 -64.303 1.00 0.00 H new ATOM 0 HB2 HIS A 141 18.863 0.799 -62.998 1.00 0.00 H new ATOM 0 HB3 HIS A 141 20.352 1.522 -62.423 1.00 0.00 H new ATOM 0 HD1 HIS A 141 18.241 1.271 -65.588 1.00 0.00 H new ATOM 0 HD2 HIS A 141 21.259 3.652 -63.920 1.00 0.00 H new ATOM 0 HE1 HIS A 141 18.512 3.272 -67.131 1.00 0.00 H new ATOM 2226 N MET A 142 23.036 -0.145 -64.083 1.00 0.00 N ATOM 2227 CA MET A 142 24.268 0.161 -64.800 1.00 0.00 C ATOM 2228 C MET A 142 24.608 -0.945 -65.794 1.00 0.00 C ATOM 2229 O MET A 142 25.359 -0.729 -66.746 1.00 0.00 O ATOM 2230 CB MET A 142 25.424 0.351 -63.816 1.00 0.00 C ATOM 2231 CG MET A 142 25.042 1.144 -62.577 1.00 0.00 C ATOM 2232 SD MET A 142 25.277 2.919 -62.789 1.00 0.00 S ATOM 2233 CE MET A 142 23.641 3.417 -63.318 1.00 0.00 C ATOM 0 H MET A 142 23.173 -0.643 -63.204 1.00 0.00 H new ATOM 0 HA MET A 142 24.115 1.088 -65.353 1.00 0.00 H new ATOM 0 HB2 MET A 142 25.796 -0.627 -63.511 1.00 0.00 H new ATOM 0 HB3 MET A 142 26.244 0.859 -64.324 1.00 0.00 H new ATOM 0 HG2 MET A 142 23.999 0.946 -62.331 1.00 0.00 H new ATOM 0 HG3 MET A 142 25.639 0.801 -61.732 1.00 0.00 H new ATOM 0 HE1 MET A 142 23.723 4.241 -64.027 1.00 0.00 H new ATOM 0 HE2 MET A 142 23.141 2.575 -63.797 1.00 0.00 H new ATOM 0 HE3 MET A 142 23.061 3.739 -62.453 1.00 0.00 H new ATOM 2243 N HIS A 143 24.052 -2.131 -65.566 1.00 0.00 N ATOM 2244 CA HIS A 143 24.296 -3.271 -66.442 1.00 0.00 C ATOM 2245 C HIS A 143 23.928 -2.936 -67.885 1.00 0.00 C ATOM 2246 O HIS A 143 24.384 -3.593 -68.821 1.00 0.00 O ATOM 2247 CB HIS A 143 23.498 -4.485 -65.968 1.00 0.00 C ATOM 2248 CG HIS A 143 24.149 -5.228 -64.843 1.00 0.00 C ATOM 2249 ND1 HIS A 143 25.304 -5.965 -64.996 1.00 0.00 N ATOM 2250 CD2 HIS A 143 23.801 -5.344 -63.540 1.00 0.00 C ATOM 2251 CE1 HIS A 143 25.638 -6.503 -63.837 1.00 0.00 C ATOM 2252 NE2 HIS A 143 24.742 -6.141 -62.936 1.00 0.00 N ATOM 0 H HIS A 143 23.430 -2.327 -64.782 1.00 0.00 H new ATOM 0 HA HIS A 143 25.359 -3.507 -66.403 1.00 0.00 H new ATOM 0 HB2 HIS A 143 22.508 -4.157 -65.651 1.00 0.00 H new ATOM 0 HB3 HIS A 143 23.355 -5.166 -66.807 1.00 0.00 H new ATOM 0 HD2 HIS A 143 22.943 -4.893 -63.064 1.00 0.00 H new ATOM 0 HE1 HIS A 143 26.497 -7.132 -63.656 1.00 0.00 H new ATOM 0 HE2 HIS A 143 24.748 -6.410 -61.952 1.00 0.00 H new ATOM 2260 N VAL A 144 23.100 -1.911 -68.057 1.00 0.00 N ATOM 2261 CA VAL A 144 22.671 -1.489 -69.385 1.00 0.00 C ATOM 2262 C VAL A 144 23.481 -0.292 -69.870 1.00 0.00 C ATOM 2263 O VAL A 144 23.483 0.029 -71.059 1.00 0.00 O ATOM 2264 CB VAL A 144 21.175 -1.123 -69.401 1.00 0.00 C ATOM 2265 CG1 VAL A 144 20.717 -0.685 -68.019 1.00 0.00 C ATOM 2266 CG2 VAL A 144 20.903 -0.037 -70.431 1.00 0.00 C ATOM 0 H VAL A 144 22.713 -1.357 -67.293 1.00 0.00 H new ATOM 0 HA VAL A 144 22.839 -2.332 -70.055 1.00 0.00 H new ATOM 0 HB VAL A 144 20.606 -2.009 -69.682 1.00 0.00 H new ATOM 0 HG11 VAL A 144 19.658 -0.431 -68.050 1.00 0.00 H new ATOM 0 HG12 VAL A 144 20.874 -1.497 -67.309 1.00 0.00 H new ATOM 0 HG13 VAL A 144 21.290 0.187 -67.705 1.00 0.00 H new ATOM 0 HG21 VAL A 144 19.841 0.209 -70.429 1.00 0.00 H new ATOM 0 HG22 VAL A 144 21.482 0.853 -70.183 1.00 0.00 H new ATOM 0 HG23 VAL A 144 21.191 -0.393 -71.420 1.00 0.00 H new ATOM 2276 N HIS A 145 24.168 0.365 -68.941 1.00 0.00 N ATOM 2277 CA HIS A 145 24.984 1.528 -69.274 1.00 0.00 C ATOM 2278 C HIS A 145 26.294 1.102 -69.930 1.00 0.00 C ATOM 2279 O HIS A 145 26.748 1.720 -70.894 1.00 0.00 O ATOM 2280 CB HIS A 145 25.272 2.351 -68.018 1.00 0.00 C ATOM 2281 CG HIS A 145 24.234 3.392 -67.733 1.00 0.00 C ATOM 2282 ND1 HIS A 145 23.937 4.419 -68.604 1.00 0.00 N ATOM 2283 CD2 HIS A 145 23.418 3.558 -66.665 1.00 0.00 C ATOM 2284 CE1 HIS A 145 22.986 5.173 -68.084 1.00 0.00 C ATOM 2285 NE2 HIS A 145 22.653 4.673 -66.908 1.00 0.00 N ATOM 0 H HIS A 145 24.176 0.113 -67.953 1.00 0.00 H new ATOM 0 HA HIS A 145 24.427 2.142 -69.982 1.00 0.00 H new ATOM 0 HB2 HIS A 145 25.346 1.679 -67.163 1.00 0.00 H new ATOM 0 HB3 HIS A 145 26.242 2.837 -68.126 1.00 0.00 H new ATOM 0 HD2 HIS A 145 23.376 2.931 -65.787 1.00 0.00 H new ATOM 0 HE1 HIS A 145 22.554 6.050 -68.543 1.00 0.00 H new ATOM 0 HE2 HIS A 145 21.943 5.053 -66.282 1.00 0.00 H new