USER MOD reduce.3.24.130724 H: found=0, std=0, add=994, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 995 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 68 ASN : amide:sc= 0.675 K(o=-1.4,f=-2.8) USER MOD Set 1.2: A 80 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0538) USER MOD Set 1.3: A 81 ASN : amide:sc= -2.11! C(o=-1.4!,f=-5.3!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 CYS SG : rot 180:sc= -0.0281 USER MOD Single : A 16 GLN : amide:sc= -0.0626 X(o=-0.063,f=-0.0011) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 21 CYS SG : rot 146:sc= -4.06! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 ASN :FLIP amide:sc= 0.8 F(o=-0.45,f=0.8) USER MOD Single : A 28 HIS : no HD1:sc= -11.2! C(o=-11!,f=-11!) USER MOD Single : A 31 THR OG1 : rot -88:sc= 1.16 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 GLN : amide:sc= -0.092 K(o=-0.092,f=-1.2!) USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 115:sc= -6.8! USER MOD Single : A 52 GLN : amide:sc= -0.114 K(o=-0.11,f=-2.9!) USER MOD Single : A 55 ASN : amide:sc= -3.92! C(o=-3.9!,f=-19!) USER MOD Single : A 56 ASN :FLIP amide:sc= -0.301 F(o=-0.86,f=-0.3) USER MOD Single : A 60 HIS : no HD1:sc= -0.405 X(o=-0.4,f=-0.12) USER MOD Single : A 61 SER OG : rot 166:sc= -0.215 USER MOD Single : A 63 ASN : amide:sc= -6.74! C(o=-6.7!,f=-25!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 GLN : amide:sc= -0.0253 K(o=-0.025,f=-1.4!) USER MOD Single : A 78 CYS SG : rot 180:sc= -1.27 USER MOD Single : A 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 THR OG1 : rot 81:sc= 1.24 USER MOD Single : A 89 CYS SG : rot 117:sc= 0.148 USER MOD Single : A 90 CYS SG : rot -20:sc= 0.0926 USER MOD Single : A 92 THR OG1 : rot -164:sc= 0.504 USER MOD Single : A 95 MET CE :methyl -157:sc= 0 (180deg=-0.0759) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 THR OG1 : rot 72:sc= 0.0605 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 123 SER OG : rot -83:sc= 0.971 USER MOD Single : A 125 THR OG1 : rot -58:sc= 1.12 USER MOD Single : A 131 THR OG1 : rot -65:sc= 0.878 USER MOD ----------------------------------------------------------------- ATOM 98 N PRO A 10 11.684 1.242 7.249 1.00 0.00 N ATOM 99 CA PRO A 10 11.179 0.275 6.269 1.00 0.00 C ATOM 100 C PRO A 10 10.323 0.934 5.192 1.00 0.00 C ATOM 101 O PRO A 10 9.994 0.313 4.182 1.00 0.00 O ATOM 102 CB PRO A 10 10.333 -0.679 7.115 1.00 0.00 C ATOM 103 CG PRO A 10 9.917 0.128 8.295 1.00 0.00 C ATOM 104 CD PRO A 10 11.051 1.078 8.568 1.00 0.00 C ATOM 0 HA PRO A 10 11.987 -0.217 5.728 1.00 0.00 H new ATOM 0 HB2 PRO A 10 9.469 -1.041 6.558 1.00 0.00 H new ATOM 0 HB3 PRO A 10 10.907 -1.555 7.417 1.00 0.00 H new ATOM 0 HG2 PRO A 10 8.994 0.671 8.091 1.00 0.00 H new ATOM 0 HG3 PRO A 10 9.727 -0.511 9.157 1.00 0.00 H new ATOM 0 HD2 PRO A 10 10.693 2.029 8.963 1.00 0.00 H new ATOM 0 HD3 PRO A 10 11.748 0.671 9.301 1.00 0.00 H new ATOM 112 N TRP A 11 9.967 2.194 5.416 1.00 0.00 N ATOM 113 CA TRP A 11 9.149 2.937 4.463 1.00 0.00 C ATOM 114 C TRP A 11 10.019 3.607 3.406 1.00 0.00 C ATOM 115 O TRP A 11 9.651 3.668 2.232 1.00 0.00 O ATOM 116 CB TRP A 11 8.310 3.988 5.192 1.00 0.00 C ATOM 117 CG TRP A 11 9.025 5.290 5.385 1.00 0.00 C ATOM 118 CD1 TRP A 11 9.650 5.722 6.520 1.00 0.00 C ATOM 119 CD2 TRP A 11 9.188 6.331 4.415 1.00 0.00 C ATOM 120 NE1 TRP A 11 10.191 6.968 6.314 1.00 0.00 N ATOM 121 CE2 TRP A 11 9.922 7.363 5.030 1.00 0.00 C ATOM 122 CE3 TRP A 11 8.786 6.490 3.086 1.00 0.00 C ATOM 123 CZ2 TRP A 11 10.260 8.537 4.361 1.00 0.00 C ATOM 124 CZ3 TRP A 11 9.123 7.655 2.423 1.00 0.00 C ATOM 125 CH2 TRP A 11 9.854 8.666 3.061 1.00 0.00 C ATOM 0 H TRP A 11 10.231 2.722 6.248 1.00 0.00 H new ATOM 0 HA TRP A 11 8.483 2.232 3.965 1.00 0.00 H new ATOM 0 HB2 TRP A 11 7.394 4.165 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 11 8.015 3.596 6.165 1.00 0.00 H new ATOM 0 HD1 TRP A 11 9.710 5.166 7.444 1.00 0.00 H new ATOM 0 HE1 TRP A 11 10.709 7.511 7.005 1.00 0.00 H new ATOM 0 HE3 TRP A 11 8.222 5.716 2.586 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 10.823 9.318 4.851 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 8.818 7.788 1.396 1.00 0.00 H new ATOM 0 HH2 TRP A 11 10.102 9.565 2.516 1.00 0.00 H new ATOM 136 N LYS A 12 11.175 4.109 3.827 1.00 0.00 N ATOM 137 CA LYS A 12 12.098 4.774 2.916 1.00 0.00 C ATOM 138 C LYS A 12 12.333 3.930 1.667 1.00 0.00 C ATOM 139 O LYS A 12 12.231 4.426 0.545 1.00 0.00 O ATOM 140 CB LYS A 12 13.431 5.048 3.617 1.00 0.00 C ATOM 141 CG LYS A 12 13.281 5.756 4.953 1.00 0.00 C ATOM 142 CD LYS A 12 14.439 6.705 5.213 1.00 0.00 C ATOM 143 CE LYS A 12 13.997 7.915 6.021 1.00 0.00 C ATOM 144 NZ LYS A 12 15.146 8.795 6.375 1.00 0.00 N ATOM 0 H LYS A 12 11.495 4.068 4.795 1.00 0.00 H new ATOM 0 HA LYS A 12 11.651 5.721 2.614 1.00 0.00 H new ATOM 0 HB2 LYS A 12 13.951 4.103 3.772 1.00 0.00 H new ATOM 0 HB3 LYS A 12 14.058 5.653 2.963 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.343 6.312 4.968 1.00 0.00 H new ATOM 0 HG3 LYS A 12 13.227 5.018 5.753 1.00 0.00 H new ATOM 0 HD2 LYS A 12 15.230 6.178 5.748 1.00 0.00 H new ATOM 0 HD3 LYS A 12 14.861 7.035 4.264 1.00 0.00 H new ATOM 0 HE2 LYS A 12 13.265 8.486 5.450 1.00 0.00 H new ATOM 0 HE3 LYS A 12 13.500 7.582 6.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 14.804 9.608 6.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 15.833 8.258 6.942 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 15.605 9.134 5.505 1.00 0.00 H new ATOM 158 N GLN A 13 12.645 2.655 1.871 1.00 0.00 N ATOM 159 CA GLN A 13 12.893 1.743 0.760 1.00 0.00 C ATOM 160 C GLN A 13 11.598 1.417 0.024 1.00 0.00 C ATOM 161 O GLN A 13 11.559 1.402 -1.207 1.00 0.00 O ATOM 162 CB GLN A 13 13.544 0.454 1.266 1.00 0.00 C ATOM 163 CG GLN A 13 12.695 -0.300 2.276 1.00 0.00 C ATOM 164 CD GLN A 13 13.377 -1.551 2.794 1.00 0.00 C ATOM 165 OE1 GLN A 13 13.108 -2.658 2.327 1.00 0.00 O ATOM 166 NE2 GLN A 13 14.268 -1.381 3.764 1.00 0.00 N ATOM 0 H GLN A 13 12.732 2.230 2.794 1.00 0.00 H new ATOM 0 HA GLN A 13 13.572 2.235 0.063 1.00 0.00 H new ATOM 0 HB2 GLN A 13 13.748 -0.198 0.417 1.00 0.00 H new ATOM 0 HB3 GLN A 13 14.505 0.696 1.720 1.00 0.00 H new ATOM 0 HG2 GLN A 13 12.465 0.357 3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 13 11.746 -0.573 1.815 1.00 0.00 H new ATOM 0 HE21 GLN A 13 14.460 -0.445 4.122 1.00 0.00 H new ATOM 0 HE22 GLN A 13 14.760 -2.186 4.151 1.00 0.00 H new ATOM 175 N CYS A 14 10.540 1.157 0.785 1.00 0.00 N ATOM 176 CA CYS A 14 9.243 0.830 0.204 1.00 0.00 C ATOM 177 C CYS A 14 8.918 1.760 -0.960 1.00 0.00 C ATOM 178 O CYS A 14 8.557 1.308 -2.047 1.00 0.00 O ATOM 179 CB CYS A 14 8.147 0.923 1.267 1.00 0.00 C ATOM 180 SG CYS A 14 6.517 0.389 0.696 1.00 0.00 S ATOM 0 H CYS A 14 10.555 1.166 1.805 1.00 0.00 H new ATOM 0 HA CYS A 14 9.289 -0.192 -0.173 1.00 0.00 H new ATOM 0 HB2 CYS A 14 8.436 0.317 2.125 1.00 0.00 H new ATOM 0 HB3 CYS A 14 8.079 1.954 1.614 1.00 0.00 H new ATOM 0 HG CYS A 14 5.659 0.503 1.666 1.00 0.00 H new ATOM 186 N ALA A 15 9.048 3.062 -0.725 1.00 0.00 N ATOM 187 CA ALA A 15 8.769 4.056 -1.755 1.00 0.00 C ATOM 188 C ALA A 15 9.252 3.581 -3.121 1.00 0.00 C ATOM 189 O ALA A 15 8.547 3.720 -4.120 1.00 0.00 O ATOM 190 CB ALA A 15 9.418 5.384 -1.395 1.00 0.00 C ATOM 0 H ALA A 15 9.345 3.453 0.169 1.00 0.00 H new ATOM 0 HA ALA A 15 7.689 4.195 -1.809 1.00 0.00 H new ATOM 0 HB1 ALA A 15 9.202 6.117 -2.172 1.00 0.00 H new ATOM 0 HB2 ALA A 15 9.021 5.737 -0.443 1.00 0.00 H new ATOM 0 HB3 ALA A 15 10.497 5.251 -1.311 1.00 0.00 H new ATOM 196 N GLN A 16 10.457 3.022 -3.156 1.00 0.00 N ATOM 197 CA GLN A 16 11.033 2.529 -4.402 1.00 0.00 C ATOM 198 C GLN A 16 10.115 1.504 -5.058 1.00 0.00 C ATOM 199 O GLN A 16 9.570 1.744 -6.135 1.00 0.00 O ATOM 200 CB GLN A 16 12.407 1.908 -4.142 1.00 0.00 C ATOM 201 CG GLN A 16 13.406 2.876 -3.530 1.00 0.00 C ATOM 202 CD GLN A 16 13.901 3.909 -4.523 1.00 0.00 C ATOM 203 OE1 GLN A 16 14.929 3.719 -5.174 1.00 0.00 O ATOM 204 NE2 GLN A 16 13.170 5.011 -4.645 1.00 0.00 N ATOM 0 H GLN A 16 11.053 2.899 -2.337 1.00 0.00 H new ATOM 0 HA GLN A 16 11.146 3.375 -5.080 1.00 0.00 H new ATOM 0 HB2 GLN A 16 12.290 1.052 -3.478 1.00 0.00 H new ATOM 0 HB3 GLN A 16 12.809 1.530 -5.082 1.00 0.00 H new ATOM 0 HG2 GLN A 16 12.943 3.384 -2.684 1.00 0.00 H new ATOM 0 HG3 GLN A 16 14.256 2.316 -3.140 1.00 0.00 H new ATOM 0 HE21 GLN A 16 12.325 5.127 -4.086 1.00 0.00 H new ATOM 0 HE22 GLN A 16 13.454 5.741 -5.298 1.00 0.00 H new ATOM 213 N TRP A 17 9.948 0.361 -4.403 1.00 0.00 N ATOM 214 CA TRP A 17 9.095 -0.702 -4.923 1.00 0.00 C ATOM 215 C TRP A 17 7.839 -0.125 -5.568 1.00 0.00 C ATOM 216 O TRP A 17 7.441 -0.541 -6.657 1.00 0.00 O ATOM 217 CB TRP A 17 8.709 -1.669 -3.803 1.00 0.00 C ATOM 218 CG TRP A 17 7.986 -2.887 -4.294 1.00 0.00 C ATOM 219 CD1 TRP A 17 8.492 -3.878 -5.085 1.00 0.00 C ATOM 220 CD2 TRP A 17 6.625 -3.241 -4.026 1.00 0.00 C ATOM 221 NE1 TRP A 17 7.528 -4.827 -5.326 1.00 0.00 N ATOM 222 CE2 TRP A 17 6.374 -4.460 -4.686 1.00 0.00 C ATOM 223 CE3 TRP A 17 5.595 -2.649 -3.291 1.00 0.00 C ATOM 224 CZ2 TRP A 17 5.135 -5.093 -4.633 1.00 0.00 C ATOM 225 CZ3 TRP A 17 4.366 -3.279 -3.239 1.00 0.00 C ATOM 226 CH2 TRP A 17 4.144 -4.491 -3.906 1.00 0.00 C ATOM 0 H TRP A 17 10.392 0.146 -3.510 1.00 0.00 H new ATOM 0 HA TRP A 17 9.656 -1.244 -5.684 1.00 0.00 H new ATOM 0 HB2 TRP A 17 9.610 -1.979 -3.273 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.079 -1.147 -3.083 1.00 0.00 H new ATOM 0 HD1 TRP A 17 9.502 -3.911 -5.466 1.00 0.00 H new ATOM 0 HE1 TRP A 17 7.652 -5.668 -5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 17 5.756 -1.715 -2.773 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 4.962 -6.027 -5.148 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 3.563 -2.829 -2.674 1.00 0.00 H new ATOM 0 HH2 TRP A 17 3.173 -4.959 -3.845 1.00 0.00 H new ATOM 237 N LEU A 18 7.219 0.835 -4.891 1.00 0.00 N ATOM 238 CA LEU A 18 6.008 1.469 -5.398 1.00 0.00 C ATOM 239 C LEU A 18 6.251 2.088 -6.771 1.00 0.00 C ATOM 240 O LEU A 18 5.531 1.801 -7.728 1.00 0.00 O ATOM 241 CB LEU A 18 5.523 2.543 -4.422 1.00 0.00 C ATOM 242 CG LEU A 18 4.916 2.035 -3.113 1.00 0.00 C ATOM 243 CD1 LEU A 18 4.858 3.152 -2.083 1.00 0.00 C ATOM 244 CD2 LEU A 18 3.529 1.458 -3.357 1.00 0.00 C ATOM 0 H LEU A 18 7.535 1.191 -3.989 1.00 0.00 H new ATOM 0 HA LEU A 18 5.240 0.701 -5.496 1.00 0.00 H new ATOM 0 HB2 LEU A 18 6.364 3.193 -4.181 1.00 0.00 H new ATOM 0 HB3 LEU A 18 4.780 3.158 -4.929 1.00 0.00 H new ATOM 0 HG LEU A 18 5.554 1.242 -2.722 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.423 2.772 -1.158 1.00 0.00 H new ATOM 0 HD12 LEU A 18 5.866 3.519 -1.887 1.00 0.00 H new ATOM 0 HD13 LEU A 18 4.243 3.967 -2.465 1.00 0.00 H new ATOM 0 HD21 LEU A 18 3.112 1.101 -2.415 1.00 0.00 H new ATOM 0 HD22 LEU A 18 2.881 2.231 -3.771 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.599 0.628 -4.060 1.00 0.00 H new ATOM 256 N ILE A 19 7.271 2.935 -6.861 1.00 0.00 N ATOM 257 CA ILE A 19 7.611 3.590 -8.117 1.00 0.00 C ATOM 258 C ILE A 19 7.797 2.571 -9.236 1.00 0.00 C ATOM 259 O ILE A 19 7.365 2.790 -10.368 1.00 0.00 O ATOM 260 CB ILE A 19 8.895 4.431 -7.984 1.00 0.00 C ATOM 261 CG1 ILE A 19 8.746 5.454 -6.857 1.00 0.00 C ATOM 262 CG2 ILE A 19 9.211 5.126 -9.300 1.00 0.00 C ATOM 263 CD1 ILE A 19 10.046 6.129 -6.478 1.00 0.00 C ATOM 0 H ILE A 19 7.876 3.183 -6.078 1.00 0.00 H new ATOM 0 HA ILE A 19 6.779 4.249 -8.364 1.00 0.00 H new ATOM 0 HB ILE A 19 9.724 3.767 -7.738 1.00 0.00 H new ATOM 0 HG12 ILE A 19 8.026 6.214 -7.160 1.00 0.00 H new ATOM 0 HG13 ILE A 19 8.334 4.957 -5.978 1.00 0.00 H new ATOM 0 HG21 ILE A 19 10.121 5.716 -9.190 1.00 0.00 H new ATOM 0 HG22 ILE A 19 9.355 4.379 -10.081 1.00 0.00 H new ATOM 0 HG23 ILE A 19 8.384 5.781 -9.573 1.00 0.00 H new ATOM 0 HD11 ILE A 19 9.865 6.841 -5.673 1.00 0.00 H new ATOM 0 HD12 ILE A 19 10.762 5.378 -6.144 1.00 0.00 H new ATOM 0 HD13 ILE A 19 10.449 6.655 -7.344 1.00 0.00 H new ATOM 275 N HIS A 20 8.442 1.455 -8.911 1.00 0.00 N ATOM 276 CA HIS A 20 8.684 0.400 -9.888 1.00 0.00 C ATOM 277 C HIS A 20 7.401 -0.372 -10.183 1.00 0.00 C ATOM 278 O HIS A 20 7.193 -0.846 -11.301 1.00 0.00 O ATOM 279 CB HIS A 20 9.763 -0.557 -9.381 1.00 0.00 C ATOM 280 CG HIS A 20 11.158 -0.072 -9.629 1.00 0.00 C ATOM 281 ND1 HIS A 20 11.921 -0.490 -10.699 1.00 0.00 N ATOM 282 CD2 HIS A 20 11.927 0.802 -8.938 1.00 0.00 C ATOM 283 CE1 HIS A 20 13.100 0.105 -10.655 1.00 0.00 C ATOM 284 NE2 HIS A 20 13.129 0.895 -9.596 1.00 0.00 N ATOM 0 H HIS A 20 8.806 1.258 -7.979 1.00 0.00 H new ATOM 0 HA HIS A 20 9.028 0.866 -10.811 1.00 0.00 H new ATOM 0 HB2 HIS A 20 9.626 -0.712 -8.311 1.00 0.00 H new ATOM 0 HB3 HIS A 20 9.633 -1.526 -9.863 1.00 0.00 H new ATOM 0 HD2 HIS A 20 11.647 1.328 -8.037 1.00 0.00 H new ATOM 0 HE1 HIS A 20 13.903 -0.031 -11.364 1.00 0.00 H new ATOM 0 HE2 HIS A 20 13.916 1.479 -9.313 1.00 0.00 H new ATOM 293 N CYS A 21 6.545 -0.494 -9.175 1.00 0.00 N ATOM 294 CA CYS A 21 5.283 -1.210 -9.325 1.00 0.00 C ATOM 295 C CYS A 21 4.311 -0.421 -10.197 1.00 0.00 C ATOM 296 O CYS A 21 3.190 -0.861 -10.451 1.00 0.00 O ATOM 297 CB CYS A 21 4.658 -1.477 -7.955 1.00 0.00 C ATOM 298 SG CYS A 21 5.541 -2.707 -6.967 1.00 0.00 S ATOM 0 H CYS A 21 6.702 -0.106 -8.245 1.00 0.00 H new ATOM 0 HA CYS A 21 5.489 -2.162 -9.813 1.00 0.00 H new ATOM 0 HB2 CYS A 21 4.617 -0.541 -7.398 1.00 0.00 H new ATOM 0 HB3 CYS A 21 3.630 -1.810 -8.096 1.00 0.00 H new ATOM 0 HG CYS A 21 5.457 -2.394 -5.708 1.00 0.00 H new ATOM 304 N LYS A 22 4.748 0.748 -10.651 1.00 0.00 N ATOM 305 CA LYS A 22 3.918 1.601 -11.494 1.00 0.00 C ATOM 306 C LYS A 22 2.733 2.153 -10.709 1.00 0.00 C ATOM 307 O LYS A 22 1.589 2.083 -11.161 1.00 0.00 O ATOM 308 CB LYS A 22 3.418 0.818 -12.711 1.00 0.00 C ATOM 309 CG LYS A 22 4.522 0.101 -13.468 1.00 0.00 C ATOM 310 CD LYS A 22 5.372 1.073 -14.269 1.00 0.00 C ATOM 311 CE LYS A 22 5.947 0.416 -15.514 1.00 0.00 C ATOM 312 NZ LYS A 22 5.020 0.520 -16.675 1.00 0.00 N ATOM 0 H LYS A 22 5.673 1.127 -10.449 1.00 0.00 H new ATOM 0 HA LYS A 22 4.528 2.438 -11.834 1.00 0.00 H new ATOM 0 HB2 LYS A 22 2.679 0.087 -12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 22 2.909 1.503 -13.389 1.00 0.00 H new ATOM 0 HG2 LYS A 22 5.154 -0.442 -12.764 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.084 -0.638 -14.138 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.769 1.934 -14.556 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.184 1.447 -13.646 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.898 0.885 -15.766 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.154 -0.634 -15.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.449 0.060 -17.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 4.121 0.050 -16.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 4.842 1.522 -16.889 1.00 0.00 H new ATOM 326 N VAL A 23 3.013 2.704 -9.533 1.00 0.00 N ATOM 327 CA VAL A 23 1.970 3.271 -8.686 1.00 0.00 C ATOM 328 C VAL A 23 2.281 4.719 -8.326 1.00 0.00 C ATOM 329 O VAL A 23 1.377 5.515 -8.067 1.00 0.00 O ATOM 330 CB VAL A 23 1.795 2.457 -7.390 1.00 0.00 C ATOM 331 CG1 VAL A 23 1.303 1.052 -7.704 1.00 0.00 C ATOM 332 CG2 VAL A 23 3.099 2.413 -6.609 1.00 0.00 C ATOM 0 H VAL A 23 3.954 2.770 -9.144 1.00 0.00 H new ATOM 0 HA VAL A 23 1.043 3.233 -9.258 1.00 0.00 H new ATOM 0 HB VAL A 23 1.044 2.948 -6.771 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.185 0.492 -6.776 1.00 0.00 H new ATOM 0 HG12 VAL A 23 0.343 1.109 -8.218 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.027 0.547 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 23 2.957 1.834 -5.696 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.873 1.946 -7.219 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.403 3.427 -6.351 1.00 0.00 H new ATOM 342 N LEU A 24 3.566 5.056 -8.311 1.00 0.00 N ATOM 343 CA LEU A 24 3.999 6.410 -7.983 1.00 0.00 C ATOM 344 C LEU A 24 5.044 6.904 -8.978 1.00 0.00 C ATOM 345 O LEU A 24 5.795 6.125 -9.565 1.00 0.00 O ATOM 346 CB LEU A 24 4.567 6.455 -6.564 1.00 0.00 C ATOM 347 CG LEU A 24 3.582 6.142 -5.436 1.00 0.00 C ATOM 348 CD1 LEU A 24 4.314 6.015 -4.109 1.00 0.00 C ATOM 349 CD2 LEU A 24 2.506 7.214 -5.354 1.00 0.00 C ATOM 0 H LEU A 24 4.327 4.410 -8.522 1.00 0.00 H new ATOM 0 HA LEU A 24 3.131 7.067 -8.041 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.395 5.748 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.982 7.448 -6.392 1.00 0.00 H new ATOM 0 HG LEU A 24 3.100 5.189 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 24 3.598 5.792 -3.318 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.046 5.210 -4.173 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.824 6.952 -3.884 1.00 0.00 H new ATOM 0 HD21 LEU A 24 1.815 6.974 -4.546 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.970 8.181 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 24 1.961 7.256 -6.297 1.00 0.00 H new ATOM 361 N PRO A 25 5.098 8.230 -9.171 1.00 0.00 N ATOM 362 CA PRO A 25 6.050 8.858 -10.092 1.00 0.00 C ATOM 363 C PRO A 25 7.487 8.775 -9.586 1.00 0.00 C ATOM 364 O PRO A 25 7.728 8.504 -8.409 1.00 0.00 O ATOM 365 CB PRO A 25 5.585 10.316 -10.143 1.00 0.00 C ATOM 366 CG PRO A 25 4.877 10.533 -8.850 1.00 0.00 C ATOM 367 CD PRO A 25 4.234 9.219 -8.504 1.00 0.00 C ATOM 0 HA PRO A 25 6.062 8.365 -11.064 1.00 0.00 H new ATOM 0 HB2 PRO A 25 6.429 10.997 -10.251 1.00 0.00 H new ATOM 0 HB3 PRO A 25 4.923 10.491 -10.991 1.00 0.00 H new ATOM 0 HG2 PRO A 25 5.573 10.844 -8.071 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.129 11.321 -8.942 1.00 0.00 H new ATOM 0 HD2 PRO A 25 4.199 9.060 -7.426 1.00 0.00 H new ATOM 0 HD3 PRO A 25 3.208 9.166 -8.867 1.00 0.00 H new ATOM 375 N THR A 26 8.439 9.009 -10.484 1.00 0.00 N ATOM 376 CA THR A 26 9.852 8.960 -10.129 1.00 0.00 C ATOM 377 C THR A 26 10.244 10.153 -9.264 1.00 0.00 C ATOM 378 O THR A 26 11.151 10.061 -8.438 1.00 0.00 O ATOM 379 CB THR A 26 10.746 8.934 -11.383 1.00 0.00 C ATOM 380 OG1 THR A 26 10.563 10.136 -12.140 1.00 0.00 O ATOM 381 CG2 THR A 26 10.423 7.727 -12.252 1.00 0.00 C ATOM 0 H THR A 26 8.257 9.234 -11.462 1.00 0.00 H new ATOM 0 HA THR A 26 10.004 8.040 -9.564 1.00 0.00 H new ATOM 0 HB THR A 26 11.785 8.863 -11.061 1.00 0.00 H new ATOM 0 HG1 THR A 26 11.136 10.113 -12.935 1.00 0.00 H new ATOM 0 HG21 THR A 26 11.067 7.729 -13.132 1.00 0.00 H new ATOM 0 HG22 THR A 26 10.591 6.813 -11.682 1.00 0.00 H new ATOM 0 HG23 THR A 26 9.380 7.773 -12.565 1.00 0.00 H new ATOM 389 N ASN A 27 9.554 11.272 -9.460 1.00 0.00 N ATOM 390 CA ASN A 27 9.830 12.484 -8.698 1.00 0.00 C ATOM 391 C ASN A 27 8.748 12.726 -7.650 1.00 0.00 C ATOM 392 O ASN A 27 8.562 13.849 -7.182 1.00 0.00 O ATOM 393 CB ASN A 27 9.928 13.689 -9.634 1.00 0.00 C ATOM 394 CG ASN A 27 10.758 14.813 -9.045 1.00 0.00 C ATOM 395 OD1 ASN A 27 11.962 15.000 -9.574 1.00 0.00 O flip ATOM 396 ND2 ASN A 27 10.322 15.506 -8.125 1.00 0.00 N flip ATOM 0 H ASN A 27 8.800 11.364 -10.140 1.00 0.00 H new ATOM 0 HA ASN A 27 10.783 12.352 -8.186 1.00 0.00 H new ATOM 0 HB2 ASN A 27 10.367 13.375 -10.581 1.00 0.00 H new ATOM 0 HB3 ASN A 27 8.926 14.058 -9.853 1.00 0.00 H new ATOM 0 HD21 ASN A 27 9.391 15.327 -7.749 1.00 0.00 H new ATOM 0 HD22 ASN A 27 10.892 16.259 -7.739 1.00 0.00 H new ATOM 403 N HIS A 28 8.038 11.663 -7.284 1.00 0.00 N ATOM 404 CA HIS A 28 6.974 11.759 -6.291 1.00 0.00 C ATOM 405 C HIS A 28 7.451 12.522 -5.058 1.00 0.00 C ATOM 406 O HIS A 28 8.638 12.815 -4.918 1.00 0.00 O ATOM 407 CB HIS A 28 6.495 10.364 -5.889 1.00 0.00 C ATOM 408 CG HIS A 28 5.077 10.333 -5.408 1.00 0.00 C ATOM 409 ND1 HIS A 28 4.675 9.627 -4.294 1.00 0.00 N ATOM 410 CD2 HIS A 28 3.964 10.928 -5.897 1.00 0.00 C ATOM 411 CE1 HIS A 28 3.375 9.787 -4.119 1.00 0.00 C ATOM 412 NE2 HIS A 28 2.920 10.573 -5.078 1.00 0.00 N ATOM 0 H HIS A 28 8.180 10.726 -7.660 1.00 0.00 H new ATOM 0 HA HIS A 28 6.142 12.305 -6.736 1.00 0.00 H new ATOM 0 HB2 HIS A 28 6.595 9.694 -6.743 1.00 0.00 H new ATOM 0 HB3 HIS A 28 7.145 9.978 -5.104 1.00 0.00 H new ATOM 0 HD2 HIS A 28 3.907 11.563 -6.769 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.785 9.350 -3.327 1.00 0.00 H new ATOM 0 HE2 HIS A 28 1.950 10.869 -5.192 1.00 0.00 H new ATOM 421 N ARG A 29 6.517 12.839 -4.167 1.00 0.00 N ATOM 422 CA ARG A 29 6.841 13.569 -2.947 1.00 0.00 C ATOM 423 C ARG A 29 7.483 12.645 -1.916 1.00 0.00 C ATOM 424 O ARG A 29 8.467 13.007 -1.270 1.00 0.00 O ATOM 425 CB ARG A 29 5.582 14.209 -2.360 1.00 0.00 C ATOM 426 CG ARG A 29 4.494 13.206 -2.012 1.00 0.00 C ATOM 427 CD ARG A 29 3.121 13.859 -1.992 1.00 0.00 C ATOM 428 NE ARG A 29 2.580 14.039 -3.336 1.00 0.00 N ATOM 429 CZ ARG A 29 1.296 14.266 -3.588 1.00 0.00 C ATOM 430 NH1 ARG A 29 0.425 14.341 -2.591 1.00 0.00 N ATOM 431 NH2 ARG A 29 0.881 14.420 -4.839 1.00 0.00 N ATOM 0 H ARG A 29 5.530 12.602 -4.267 1.00 0.00 H new ATOM 0 HA ARG A 29 7.554 14.354 -3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.852 14.765 -1.462 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.185 14.930 -3.074 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.501 12.393 -2.738 1.00 0.00 H new ATOM 0 HG3 ARG A 29 4.703 12.765 -1.037 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.437 13.246 -1.405 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.187 14.827 -1.496 1.00 0.00 H new ATOM 0 HE ARG A 29 3.224 13.988 -4.125 1.00 0.00 H new ATOM 0 HH11 ARG A 29 0.741 14.224 -1.628 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.561 14.515 -2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.548 14.364 -5.608 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -0.105 14.594 -5.031 1.00 0.00 H new ATOM 445 N VAL A 30 6.918 11.451 -1.765 1.00 0.00 N ATOM 446 CA VAL A 30 7.435 10.476 -0.813 1.00 0.00 C ATOM 447 C VAL A 30 8.934 10.266 -1.000 1.00 0.00 C ATOM 448 O VAL A 30 9.656 9.979 -0.044 1.00 0.00 O ATOM 449 CB VAL A 30 6.717 9.120 -0.953 1.00 0.00 C ATOM 450 CG1 VAL A 30 5.217 9.289 -0.768 1.00 0.00 C ATOM 451 CG2 VAL A 30 7.029 8.489 -2.301 1.00 0.00 C ATOM 0 H VAL A 30 6.102 11.136 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 30 7.249 10.877 0.183 1.00 0.00 H new ATOM 0 HB VAL A 30 7.082 8.452 -0.172 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.726 8.321 -0.870 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.016 9.695 0.224 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.832 9.973 -1.525 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.514 7.532 -2.383 1.00 0.00 H new ATOM 0 HG22 VAL A 30 6.693 9.151 -3.099 1.00 0.00 H new ATOM 0 HG23 VAL A 30 8.104 8.331 -2.389 1.00 0.00 H new ATOM 461 N THR A 31 9.396 10.411 -2.237 1.00 0.00 N ATOM 462 CA THR A 31 10.809 10.238 -2.551 1.00 0.00 C ATOM 463 C THR A 31 11.663 11.275 -1.831 1.00 0.00 C ATOM 464 O THR A 31 12.729 10.957 -1.302 1.00 0.00 O ATOM 465 CB THR A 31 11.065 10.340 -4.066 1.00 0.00 C ATOM 466 OG1 THR A 31 10.818 11.677 -4.516 1.00 0.00 O ATOM 467 CG2 THR A 31 10.178 9.369 -4.831 1.00 0.00 C ATOM 0 H THR A 31 8.812 10.648 -3.039 1.00 0.00 H new ATOM 0 HA THR A 31 11.089 9.241 -2.210 1.00 0.00 H new ATOM 0 HB THR A 31 12.107 10.081 -4.255 1.00 0.00 H new ATOM 0 HG1 THR A 31 9.874 11.771 -4.760 1.00 0.00 H new ATOM 0 HG21 THR A 31 10.376 9.459 -5.899 1.00 0.00 H new ATOM 0 HG22 THR A 31 10.390 8.350 -4.507 1.00 0.00 H new ATOM 0 HG23 THR A 31 9.131 9.601 -4.636 1.00 0.00 H new ATOM 475 N TRP A 32 11.190 12.516 -1.815 1.00 0.00 N ATOM 476 CA TRP A 32 11.911 13.600 -1.159 1.00 0.00 C ATOM 477 C TRP A 32 12.324 13.203 0.254 1.00 0.00 C ATOM 478 O TRP A 32 11.498 12.751 1.048 1.00 0.00 O ATOM 479 CB TRP A 32 11.048 14.862 -1.116 1.00 0.00 C ATOM 480 CG TRP A 32 11.026 15.611 -2.414 1.00 0.00 C ATOM 481 CD1 TRP A 32 10.631 15.132 -3.630 1.00 0.00 C ATOM 482 CD2 TRP A 32 11.417 16.972 -2.624 1.00 0.00 C ATOM 483 NE1 TRP A 32 10.754 16.114 -4.584 1.00 0.00 N ATOM 484 CE2 TRP A 32 11.233 17.252 -3.992 1.00 0.00 C ATOM 485 CE3 TRP A 32 11.904 17.983 -1.790 1.00 0.00 C ATOM 486 CZ2 TRP A 32 11.520 18.499 -4.542 1.00 0.00 C ATOM 487 CZ3 TRP A 32 12.188 19.219 -2.337 1.00 0.00 C ATOM 488 CH2 TRP A 32 11.994 19.469 -3.702 1.00 0.00 C ATOM 0 H TRP A 32 10.310 12.796 -2.249 1.00 0.00 H new ATOM 0 HA TRP A 32 12.812 13.805 -1.737 1.00 0.00 H new ATOM 0 HB2 TRP A 32 10.028 14.587 -0.846 1.00 0.00 H new ATOM 0 HB3 TRP A 32 11.419 15.521 -0.331 1.00 0.00 H new ATOM 0 HD1 TRP A 32 10.275 14.129 -3.815 1.00 0.00 H new ATOM 0 HE1 TRP A 32 10.525 16.012 -5.573 1.00 0.00 H new ATOM 0 HE3 TRP A 32 12.055 17.801 -0.736 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 11.374 18.693 -5.594 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 12.566 20.006 -1.702 1.00 0.00 H new ATOM 0 HH2 TRP A 32 12.223 20.447 -4.099 1.00 0.00 H new ATOM 499 N ASP A 33 13.604 13.376 0.563 1.00 0.00 N ATOM 500 CA ASP A 33 14.126 13.036 1.882 1.00 0.00 C ATOM 501 C ASP A 33 13.249 13.628 2.981 1.00 0.00 C ATOM 502 O ASP A 33 13.011 12.992 4.008 1.00 0.00 O ATOM 503 CB ASP A 33 15.562 13.540 2.031 1.00 0.00 C ATOM 504 CG ASP A 33 16.451 13.102 0.884 1.00 0.00 C ATOM 505 OD1 ASP A 33 16.285 11.961 0.407 1.00 0.00 O ATOM 506 OD2 ASP A 33 17.315 13.901 0.464 1.00 0.00 O ATOM 0 H ASP A 33 14.300 13.750 -0.082 1.00 0.00 H new ATOM 0 HA ASP A 33 14.119 11.950 1.981 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.558 14.628 2.088 1.00 0.00 H new ATOM 0 HB3 ASP A 33 15.977 13.173 2.970 1.00 0.00 H new ATOM 511 N SER A 34 12.772 14.848 2.759 1.00 0.00 N ATOM 512 CA SER A 34 11.926 15.528 3.732 1.00 0.00 C ATOM 513 C SER A 34 10.698 14.686 4.066 1.00 0.00 C ATOM 514 O SER A 34 10.280 14.608 5.221 1.00 0.00 O ATOM 515 CB SER A 34 11.492 16.894 3.198 1.00 0.00 C ATOM 516 OG SER A 34 12.575 17.808 3.195 1.00 0.00 O ATOM 0 H SER A 34 12.957 15.386 1.913 1.00 0.00 H new ATOM 0 HA SER A 34 12.507 15.671 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 34 11.101 16.785 2.186 1.00 0.00 H new ATOM 0 HB3 SER A 34 10.682 17.287 3.812 1.00 0.00 H new ATOM 0 HG SER A 34 12.272 18.673 2.848 1.00 0.00 H new ATOM 522 N ALA A 35 10.124 14.058 3.045 1.00 0.00 N ATOM 523 CA ALA A 35 8.945 13.221 3.228 1.00 0.00 C ATOM 524 C ALA A 35 9.117 12.284 4.419 1.00 0.00 C ATOM 525 O ALA A 35 10.230 12.078 4.902 1.00 0.00 O ATOM 526 CB ALA A 35 8.662 12.423 1.963 1.00 0.00 C ATOM 0 H ALA A 35 10.457 14.113 2.082 1.00 0.00 H new ATOM 0 HA ALA A 35 8.095 13.873 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 35 7.779 11.802 2.114 1.00 0.00 H new ATOM 0 HB2 ALA A 35 8.487 13.107 1.133 1.00 0.00 H new ATOM 0 HB3 ALA A 35 9.517 11.787 1.735 1.00 0.00 H new ATOM 532 N GLN A 36 8.008 11.721 4.888 1.00 0.00 N ATOM 533 CA GLN A 36 8.037 10.807 6.024 1.00 0.00 C ATOM 534 C GLN A 36 6.925 9.770 5.917 1.00 0.00 C ATOM 535 O GLN A 36 5.996 9.920 5.123 1.00 0.00 O ATOM 536 CB GLN A 36 7.901 11.585 7.334 1.00 0.00 C ATOM 537 CG GLN A 36 9.008 12.604 7.554 1.00 0.00 C ATOM 538 CD GLN A 36 8.648 13.638 8.603 1.00 0.00 C ATOM 539 OE1 GLN A 36 8.259 14.760 8.278 1.00 0.00 O ATOM 540 NE2 GLN A 36 8.777 13.265 9.871 1.00 0.00 N ATOM 0 H GLN A 36 7.079 11.882 4.499 1.00 0.00 H new ATOM 0 HA GLN A 36 8.995 10.287 6.016 1.00 0.00 H new ATOM 0 HB2 GLN A 36 6.939 12.098 7.344 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.896 10.881 8.166 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.918 12.086 7.857 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.226 13.108 6.612 1.00 0.00 H new ATOM 0 HE21 GLN A 36 9.103 12.325 10.095 1.00 0.00 H new ATOM 0 HE22 GLN A 36 8.550 13.919 10.620 1.00 0.00 H new ATOM 549 N VAL A 37 7.025 8.717 6.721 1.00 0.00 N ATOM 550 CA VAL A 37 6.027 7.654 6.718 1.00 0.00 C ATOM 551 C VAL A 37 4.628 8.214 6.486 1.00 0.00 C ATOM 552 O VAL A 37 3.897 7.746 5.614 1.00 0.00 O ATOM 553 CB VAL A 37 6.040 6.867 8.042 1.00 0.00 C ATOM 554 CG1 VAL A 37 7.176 5.856 8.051 1.00 0.00 C ATOM 555 CG2 VAL A 37 6.151 7.817 9.225 1.00 0.00 C ATOM 0 H VAL A 37 7.788 8.577 7.384 1.00 0.00 H new ATOM 0 HA VAL A 37 6.286 6.980 5.901 1.00 0.00 H new ATOM 0 HB VAL A 37 5.100 6.322 8.130 1.00 0.00 H new ATOM 0 HG11 VAL A 37 7.169 5.310 8.994 1.00 0.00 H new ATOM 0 HG12 VAL A 37 7.047 5.156 7.225 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.127 6.377 7.940 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.159 7.244 10.152 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.074 8.391 9.145 1.00 0.00 H new ATOM 0 HG23 VAL A 37 5.300 8.498 9.226 1.00 0.00 H new ATOM 565 N PHE A 38 4.262 9.221 7.273 1.00 0.00 N ATOM 566 CA PHE A 38 2.950 9.846 7.154 1.00 0.00 C ATOM 567 C PHE A 38 2.621 10.147 5.695 1.00 0.00 C ATOM 568 O PHE A 38 1.634 9.648 5.154 1.00 0.00 O ATOM 569 CB PHE A 38 2.900 11.136 7.976 1.00 0.00 C ATOM 570 CG PHE A 38 1.529 11.463 8.495 1.00 0.00 C ATOM 571 CD1 PHE A 38 0.398 11.070 7.797 1.00 0.00 C ATOM 572 CD2 PHE A 38 1.371 12.163 9.680 1.00 0.00 C ATOM 573 CE1 PHE A 38 -0.865 11.371 8.272 1.00 0.00 C ATOM 574 CE2 PHE A 38 0.111 12.466 10.160 1.00 0.00 C ATOM 575 CZ PHE A 38 -1.009 12.068 9.455 1.00 0.00 C ATOM 0 H PHE A 38 4.856 9.621 8.000 1.00 0.00 H new ATOM 0 HA PHE A 38 2.207 9.148 7.539 1.00 0.00 H new ATOM 0 HB2 PHE A 38 3.587 11.048 8.818 1.00 0.00 H new ATOM 0 HB3 PHE A 38 3.254 11.963 7.361 1.00 0.00 H new ATOM 0 HD1 PHE A 38 0.504 10.523 6.872 1.00 0.00 H new ATOM 0 HD2 PHE A 38 2.243 12.476 10.235 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -1.739 11.061 7.718 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.002 13.013 11.085 1.00 0.00 H new ATOM 0 HZ PHE A 38 -1.995 12.302 9.829 1.00 0.00 H new ATOM 585 N ASP A 39 3.455 10.966 5.063 1.00 0.00 N ATOM 586 CA ASP A 39 3.254 11.334 3.667 1.00 0.00 C ATOM 587 C ASP A 39 2.792 10.132 2.849 1.00 0.00 C ATOM 588 O ASP A 39 1.711 10.149 2.258 1.00 0.00 O ATOM 589 CB ASP A 39 4.546 11.902 3.076 1.00 0.00 C ATOM 590 CG ASP A 39 4.707 13.384 3.352 1.00 0.00 C ATOM 591 OD1 ASP A 39 5.206 13.733 4.441 1.00 0.00 O ATOM 592 OD2 ASP A 39 4.332 14.194 2.478 1.00 0.00 O ATOM 0 H ASP A 39 4.277 11.387 5.496 1.00 0.00 H new ATOM 0 HA ASP A 39 2.478 12.098 3.627 1.00 0.00 H new ATOM 0 HB2 ASP A 39 5.399 11.364 3.490 1.00 0.00 H new ATOM 0 HB3 ASP A 39 4.554 11.733 1.999 1.00 0.00 H new ATOM 597 N LEU A 40 3.616 9.091 2.819 1.00 0.00 N ATOM 598 CA LEU A 40 3.292 7.880 2.073 1.00 0.00 C ATOM 599 C LEU A 40 2.047 7.207 2.641 1.00 0.00 C ATOM 600 O LEU A 40 1.322 6.515 1.927 1.00 0.00 O ATOM 601 CB LEU A 40 4.472 6.907 2.105 1.00 0.00 C ATOM 602 CG LEU A 40 4.185 5.488 1.612 1.00 0.00 C ATOM 603 CD1 LEU A 40 3.787 5.503 0.144 1.00 0.00 C ATOM 604 CD2 LEU A 40 5.397 4.593 1.828 1.00 0.00 C ATOM 0 H LEU A 40 4.514 9.061 3.303 1.00 0.00 H new ATOM 0 HA LEU A 40 3.090 8.162 1.040 1.00 0.00 H new ATOM 0 HB2 LEU A 40 5.278 7.324 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.840 6.847 3.129 1.00 0.00 H new ATOM 0 HG LEU A 40 3.353 5.085 2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 40 3.587 4.485 -0.189 1.00 0.00 H new ATOM 0 HD12 LEU A 40 2.890 6.110 0.016 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.598 5.926 -0.449 1.00 0.00 H new ATOM 0 HD21 LEU A 40 5.175 3.587 1.471 1.00 0.00 H new ATOM 0 HD22 LEU A 40 6.248 4.994 1.277 1.00 0.00 H new ATOM 0 HD23 LEU A 40 5.638 4.556 2.891 1.00 0.00 H new ATOM 616 N ALA A 41 1.804 7.417 3.931 1.00 0.00 N ATOM 617 CA ALA A 41 0.644 6.834 4.594 1.00 0.00 C ATOM 618 C ALA A 41 -0.634 7.576 4.217 1.00 0.00 C ATOM 619 O ALA A 41 -1.733 7.036 4.337 1.00 0.00 O ATOM 620 CB ALA A 41 0.838 6.845 6.103 1.00 0.00 C ATOM 0 H ALA A 41 2.395 7.986 4.537 1.00 0.00 H new ATOM 0 HA ALA A 41 0.545 5.801 4.259 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -0.036 6.407 6.585 1.00 0.00 H new ATOM 0 HB2 ALA A 41 1.724 6.264 6.360 1.00 0.00 H new ATOM 0 HB3 ALA A 41 0.965 7.872 6.446 1.00 0.00 H new ATOM 626 N GLN A 42 -0.481 8.815 3.762 1.00 0.00 N ATOM 627 CA GLN A 42 -1.624 9.631 3.370 1.00 0.00 C ATOM 628 C GLN A 42 -2.080 9.285 1.956 1.00 0.00 C ATOM 629 O GLN A 42 -3.242 8.945 1.732 1.00 0.00 O ATOM 630 CB GLN A 42 -1.271 11.116 3.455 1.00 0.00 C ATOM 631 CG GLN A 42 -0.793 11.550 4.832 1.00 0.00 C ATOM 632 CD GLN A 42 -1.074 13.013 5.113 1.00 0.00 C ATOM 633 OE1 GLN A 42 -2.099 13.552 4.696 1.00 0.00 O ATOM 634 NE2 GLN A 42 -0.161 13.665 5.823 1.00 0.00 N ATOM 0 H GLN A 42 0.423 9.276 3.656 1.00 0.00 H new ATOM 0 HA GLN A 42 -2.442 9.420 4.059 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.495 11.339 2.723 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -2.146 11.705 3.181 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.280 10.938 5.591 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.278 11.367 4.915 1.00 0.00 H new ATOM 0 HE21 GLN A 42 0.674 13.179 6.149 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -0.295 14.652 6.043 1.00 0.00 H new ATOM 643 N THR A 43 -1.157 9.373 1.003 1.00 0.00 N ATOM 644 CA THR A 43 -1.463 9.071 -0.389 1.00 0.00 C ATOM 645 C THR A 43 -2.206 7.746 -0.513 1.00 0.00 C ATOM 646 O THR A 43 -2.908 7.505 -1.497 1.00 0.00 O ATOM 647 CB THR A 43 -0.185 9.014 -1.246 1.00 0.00 C ATOM 648 OG1 THR A 43 -0.529 8.944 -2.634 1.00 0.00 O ATOM 649 CG2 THR A 43 0.666 7.811 -0.868 1.00 0.00 C ATOM 0 H THR A 43 -0.190 9.651 1.171 1.00 0.00 H new ATOM 0 HA THR A 43 -2.100 9.877 -0.755 1.00 0.00 H new ATOM 0 HB THR A 43 0.392 9.920 -1.060 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.289 8.910 -3.172 1.00 0.00 H new ATOM 0 HG21 THR A 43 1.563 7.791 -1.486 1.00 0.00 H new ATOM 0 HG22 THR A 43 0.950 7.882 0.182 1.00 0.00 H new ATOM 0 HG23 THR A 43 0.095 6.897 -1.028 1.00 0.00 H new ATOM 657 N LEU A 44 -2.047 6.888 0.488 1.00 0.00 N ATOM 658 CA LEU A 44 -2.703 5.585 0.492 1.00 0.00 C ATOM 659 C LEU A 44 -3.893 5.577 1.447 1.00 0.00 C ATOM 660 O LEU A 44 -4.867 4.856 1.234 1.00 0.00 O ATOM 661 CB LEU A 44 -1.709 4.492 0.888 1.00 0.00 C ATOM 662 CG LEU A 44 -0.399 4.460 0.101 1.00 0.00 C ATOM 663 CD1 LEU A 44 0.623 3.579 0.802 1.00 0.00 C ATOM 664 CD2 LEU A 44 -0.641 3.972 -1.320 1.00 0.00 C ATOM 0 H LEU A 44 -1.469 7.071 1.308 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.068 5.387 -0.516 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.472 4.610 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.200 3.525 0.778 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.002 5.474 0.052 1.00 0.00 H new ATOM 0 HD11 LEU A 44 1.549 3.568 0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 44 0.819 3.972 1.799 1.00 0.00 H new ATOM 0 HD13 LEU A 44 0.234 2.564 0.882 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.303 3.956 -1.865 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.061 2.967 -1.293 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.338 4.643 -1.822 1.00 0.00 H new ATOM 676 N ARG A 45 -3.806 6.385 2.498 1.00 0.00 N ATOM 677 CA ARG A 45 -4.876 6.472 3.485 1.00 0.00 C ATOM 678 C ARG A 45 -6.243 6.437 2.809 1.00 0.00 C ATOM 679 O ARG A 45 -7.167 5.778 3.288 1.00 0.00 O ATOM 680 CB ARG A 45 -4.735 7.752 4.310 1.00 0.00 C ATOM 681 CG ARG A 45 -5.826 7.927 5.354 1.00 0.00 C ATOM 682 CD ARG A 45 -6.055 9.395 5.679 1.00 0.00 C ATOM 683 NE ARG A 45 -7.343 9.616 6.332 1.00 0.00 N ATOM 684 CZ ARG A 45 -7.743 10.798 6.786 1.00 0.00 C ATOM 685 NH1 ARG A 45 -6.960 11.861 6.659 1.00 0.00 N ATOM 686 NH2 ARG A 45 -8.929 10.920 7.369 1.00 0.00 N ATOM 0 H ARG A 45 -3.006 6.989 2.688 1.00 0.00 H new ATOM 0 HA ARG A 45 -4.796 5.611 4.148 1.00 0.00 H new ATOM 0 HB2 ARG A 45 -3.765 7.749 4.807 1.00 0.00 H new ATOM 0 HB3 ARG A 45 -4.746 8.610 3.638 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -6.753 7.485 4.990 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -5.552 7.391 6.262 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -5.254 9.752 6.326 1.00 0.00 H new ATOM 0 HD3 ARG A 45 -6.008 9.981 4.761 1.00 0.00 H new ATOM 0 HE ARG A 45 -7.969 8.819 6.445 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -6.048 11.772 6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -7.270 12.768 7.009 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -9.534 10.105 7.469 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -9.235 11.829 7.717 1.00 0.00 H new ATOM 700 N ASP A 46 -6.365 7.150 1.695 1.00 0.00 N ATOM 701 CA ASP A 46 -7.620 7.201 0.953 1.00 0.00 C ATOM 702 C ASP A 46 -8.069 5.800 0.549 1.00 0.00 C ATOM 703 O ASP A 46 -9.231 5.436 0.722 1.00 0.00 O ATOM 704 CB ASP A 46 -7.467 8.080 -0.289 1.00 0.00 C ATOM 705 CG ASP A 46 -6.198 7.774 -1.062 1.00 0.00 C ATOM 706 OD1 ASP A 46 -5.127 8.276 -0.664 1.00 0.00 O ATOM 707 OD2 ASP A 46 -6.278 7.033 -2.064 1.00 0.00 O ATOM 0 H ASP A 46 -5.610 7.701 1.286 1.00 0.00 H new ATOM 0 HA ASP A 46 -8.381 7.633 1.602 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -8.329 7.937 -0.940 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.463 9.128 0.009 1.00 0.00 H new ATOM 712 N GLY A 47 -7.139 5.019 0.007 1.00 0.00 N ATOM 713 CA GLY A 47 -7.459 3.668 -0.414 1.00 0.00 C ATOM 714 C GLY A 47 -7.782 3.583 -1.893 1.00 0.00 C ATOM 715 O GLY A 47 -8.418 2.631 -2.344 1.00 0.00 O ATOM 0 H GLY A 47 -6.170 5.298 -0.148 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -6.617 3.012 -0.191 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.309 3.303 0.162 1.00 0.00 H new ATOM 719 N VAL A 48 -7.343 4.583 -2.651 1.00 0.00 N ATOM 720 CA VAL A 48 -7.590 4.619 -4.088 1.00 0.00 C ATOM 721 C VAL A 48 -6.385 4.101 -4.865 1.00 0.00 C ATOM 722 O VAL A 48 -6.529 3.520 -5.941 1.00 0.00 O ATOM 723 CB VAL A 48 -7.920 6.045 -4.566 1.00 0.00 C ATOM 724 CG1 VAL A 48 -8.148 6.065 -6.069 1.00 0.00 C ATOM 725 CG2 VAL A 48 -9.135 6.586 -3.827 1.00 0.00 C ATOM 0 H VAL A 48 -6.815 5.379 -2.294 1.00 0.00 H new ATOM 0 HA VAL A 48 -8.447 3.973 -4.278 1.00 0.00 H new ATOM 0 HB VAL A 48 -7.070 6.690 -4.343 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -8.380 7.081 -6.388 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -7.248 5.721 -6.578 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -8.980 5.407 -6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -9.354 7.595 -4.177 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -9.993 5.941 -4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -8.929 6.610 -2.757 1.00 0.00 H new ATOM 735 N LEU A 49 -5.195 4.314 -4.313 1.00 0.00 N ATOM 736 CA LEU A 49 -3.963 3.868 -4.954 1.00 0.00 C ATOM 737 C LEU A 49 -3.727 2.382 -4.706 1.00 0.00 C ATOM 738 O LEU A 49 -3.391 1.633 -5.624 1.00 0.00 O ATOM 739 CB LEU A 49 -2.774 4.678 -4.436 1.00 0.00 C ATOM 740 CG LEU A 49 -1.420 4.367 -5.076 1.00 0.00 C ATOM 741 CD1 LEU A 49 -1.461 4.641 -6.571 1.00 0.00 C ATOM 742 CD2 LEU A 49 -0.317 5.179 -4.413 1.00 0.00 C ATOM 0 H LEU A 49 -5.058 4.793 -3.423 1.00 0.00 H new ATOM 0 HA LEU A 49 -4.063 4.027 -6.028 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -2.989 5.736 -4.584 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -2.691 4.517 -3.361 1.00 0.00 H new ATOM 0 HG LEU A 49 -1.204 3.309 -4.927 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -0.489 4.414 -7.009 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -2.223 4.015 -7.035 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -1.700 5.691 -6.742 1.00 0.00 H new ATOM 0 HD21 LEU A 49 0.639 4.945 -4.881 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -0.527 6.242 -4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -0.271 4.933 -3.352 1.00 0.00 H new ATOM 754 N LEU A 50 -3.907 1.960 -3.459 1.00 0.00 N ATOM 755 CA LEU A 50 -3.716 0.562 -3.089 1.00 0.00 C ATOM 756 C LEU A 50 -4.270 -0.367 -4.165 1.00 0.00 C ATOM 757 O LEU A 50 -3.546 -1.199 -4.713 1.00 0.00 O ATOM 758 CB LEU A 50 -4.395 0.270 -1.750 1.00 0.00 C ATOM 759 CG LEU A 50 -3.546 0.509 -0.501 1.00 0.00 C ATOM 760 CD1 LEU A 50 -4.402 0.415 0.753 1.00 0.00 C ATOM 761 CD2 LEU A 50 -2.396 -0.486 -0.439 1.00 0.00 C ATOM 0 H LEU A 50 -4.185 2.566 -2.687 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.645 0.381 -2.994 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -5.292 0.885 -1.678 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.721 -0.770 -1.750 1.00 0.00 H new ATOM 0 HG LEU A 50 -3.128 1.514 -0.557 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -3.780 0.588 1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -5.190 1.167 0.713 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -4.849 -0.577 0.815 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -1.803 -0.301 0.456 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -2.794 -1.500 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.767 -0.370 -1.322 1.00 0.00 H new ATOM 773 N CYS A 51 -5.555 -0.216 -4.465 1.00 0.00 N ATOM 774 CA CYS A 51 -6.206 -1.041 -5.477 1.00 0.00 C ATOM 775 C CYS A 51 -5.395 -1.055 -6.769 1.00 0.00 C ATOM 776 O CYS A 51 -5.226 -2.101 -7.395 1.00 0.00 O ATOM 777 CB CYS A 51 -7.619 -0.525 -5.753 1.00 0.00 C ATOM 778 SG CYS A 51 -8.795 -0.847 -4.418 1.00 0.00 S ATOM 0 H CYS A 51 -6.167 0.470 -4.022 1.00 0.00 H new ATOM 0 HA CYS A 51 -6.268 -2.060 -5.096 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -7.574 0.549 -5.932 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -7.990 -0.985 -6.669 1.00 0.00 H new ATOM 0 HG CYS A 51 -9.185 0.281 -3.902 1.00 0.00 H new ATOM 784 N GLN A 52 -4.899 0.113 -7.163 1.00 0.00 N ATOM 785 CA GLN A 52 -4.108 0.234 -8.383 1.00 0.00 C ATOM 786 C GLN A 52 -2.908 -0.706 -8.349 1.00 0.00 C ATOM 787 O GLN A 52 -2.627 -1.405 -9.324 1.00 0.00 O ATOM 788 CB GLN A 52 -3.636 1.677 -8.568 1.00 0.00 C ATOM 789 CG GLN A 52 -4.768 2.692 -8.579 1.00 0.00 C ATOM 790 CD GLN A 52 -4.412 3.955 -9.338 1.00 0.00 C ATOM 791 OE1 GLN A 52 -3.319 4.500 -9.182 1.00 0.00 O ATOM 792 NE2 GLN A 52 -5.336 4.428 -10.167 1.00 0.00 N ATOM 0 H GLN A 52 -5.030 0.988 -6.656 1.00 0.00 H new ATOM 0 HA GLN A 52 -4.740 -0.045 -9.226 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -2.942 1.929 -7.766 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -3.083 1.752 -9.504 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.652 2.240 -9.028 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -5.029 2.951 -7.553 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -6.229 3.944 -10.265 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.153 5.275 -10.705 1.00 0.00 H new ATOM 801 N LEU A 53 -2.204 -0.718 -7.223 1.00 0.00 N ATOM 802 CA LEU A 53 -1.033 -1.573 -7.063 1.00 0.00 C ATOM 803 C LEU A 53 -1.293 -2.965 -7.629 1.00 0.00 C ATOM 804 O LEU A 53 -0.652 -3.385 -8.594 1.00 0.00 O ATOM 805 CB LEU A 53 -0.650 -1.675 -5.585 1.00 0.00 C ATOM 806 CG LEU A 53 0.535 -2.585 -5.260 1.00 0.00 C ATOM 807 CD1 LEU A 53 1.813 -2.041 -5.880 1.00 0.00 C ATOM 808 CD2 LEU A 53 0.693 -2.737 -3.754 1.00 0.00 C ATOM 0 H LEU A 53 -2.423 -0.146 -6.408 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.208 -1.124 -7.616 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.424 -0.673 -5.219 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.518 -2.030 -5.029 1.00 0.00 H new ATOM 0 HG LEU A 53 0.340 -3.569 -5.686 1.00 0.00 H new ATOM 0 HD11 LEU A 53 2.645 -2.702 -5.638 1.00 0.00 H new ATOM 0 HD12 LEU A 53 1.697 -1.985 -6.962 1.00 0.00 H new ATOM 0 HD13 LEU A 53 2.014 -1.045 -5.485 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.541 -3.388 -3.541 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.865 -1.758 -3.306 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -0.214 -3.174 -3.335 1.00 0.00 H new ATOM 820 N LEU A 54 -2.238 -3.677 -7.025 1.00 0.00 N ATOM 821 CA LEU A 54 -2.586 -5.022 -7.470 1.00 0.00 C ATOM 822 C LEU A 54 -2.969 -5.025 -8.946 1.00 0.00 C ATOM 823 O LEU A 54 -2.547 -5.895 -9.706 1.00 0.00 O ATOM 824 CB LEU A 54 -3.738 -5.576 -6.631 1.00 0.00 C ATOM 825 CG LEU A 54 -3.467 -5.725 -5.133 1.00 0.00 C ATOM 826 CD1 LEU A 54 -4.671 -6.333 -4.431 1.00 0.00 C ATOM 827 CD2 LEU A 54 -2.226 -6.573 -4.898 1.00 0.00 C ATOM 0 H LEU A 54 -2.777 -3.345 -6.225 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.711 -5.659 -7.340 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.602 -4.924 -6.760 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.014 -6.553 -7.029 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.290 -4.734 -4.714 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.460 -6.431 -3.366 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.538 -5.687 -4.571 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -4.879 -7.317 -4.852 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.048 -6.669 -3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -2.374 -7.562 -5.331 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.365 -6.097 -5.368 1.00 0.00 H new ATOM 839 N ASN A 55 -3.771 -4.043 -9.346 1.00 0.00 N ATOM 840 CA ASN A 55 -4.211 -3.931 -10.732 1.00 0.00 C ATOM 841 C ASN A 55 -3.018 -3.761 -11.669 1.00 0.00 C ATOM 842 O ASN A 55 -3.097 -4.082 -12.854 1.00 0.00 O ATOM 843 CB ASN A 55 -5.170 -2.750 -10.891 1.00 0.00 C ATOM 844 CG ASN A 55 -6.385 -2.867 -9.990 1.00 0.00 C ATOM 845 OD1 ASN A 55 -6.710 -3.950 -9.505 1.00 0.00 O ATOM 846 ND2 ASN A 55 -7.062 -1.747 -9.762 1.00 0.00 N ATOM 0 H ASN A 55 -4.129 -3.313 -8.730 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.732 -4.851 -10.997 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -4.642 -1.824 -10.666 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -5.496 -2.687 -11.929 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -7.888 -1.763 -9.164 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -6.756 -0.871 -10.185 1.00 0.00 H new ATOM 853 N ASN A 56 -1.915 -3.256 -11.127 1.00 0.00 N ATOM 854 CA ASN A 56 -0.705 -3.043 -11.914 1.00 0.00 C ATOM 855 C ASN A 56 0.075 -4.344 -12.073 1.00 0.00 C ATOM 856 O ASN A 56 0.535 -4.676 -13.167 1.00 0.00 O ATOM 857 CB ASN A 56 0.178 -1.983 -11.254 1.00 0.00 C ATOM 858 CG ASN A 56 -0.155 -0.580 -11.723 1.00 0.00 C ATOM 859 OD1 ASN A 56 -0.402 0.318 -10.776 1.00 0.00 O flip ATOM 860 ND2 ASN A 56 -0.189 -0.306 -12.923 1.00 0.00 N flip ATOM 0 H ASN A 56 -1.833 -2.987 -10.147 1.00 0.00 H new ATOM 0 HA ASN A 56 -1.001 -2.694 -12.903 1.00 0.00 H new ATOM 0 HB2 ASN A 56 0.061 -2.039 -10.172 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.224 -2.198 -11.473 1.00 0.00 H new ATOM 0 HD21 ASN A 56 0.008 -1.028 -13.617 1.00 0.00 H new ATOM 0 HD22 ASN A 56 -0.414 0.643 -13.223 1.00 0.00 H new ATOM 867 N LEU A 57 0.222 -5.078 -10.976 1.00 0.00 N ATOM 868 CA LEU A 57 0.946 -6.344 -10.992 1.00 0.00 C ATOM 869 C LEU A 57 0.177 -7.402 -11.777 1.00 0.00 C ATOM 870 O LEU A 57 0.724 -8.045 -12.673 1.00 0.00 O ATOM 871 CB LEU A 57 1.193 -6.832 -9.564 1.00 0.00 C ATOM 872 CG LEU A 57 1.709 -5.784 -8.577 1.00 0.00 C ATOM 873 CD1 LEU A 57 1.741 -6.350 -7.166 1.00 0.00 C ATOM 874 CD2 LEU A 57 3.091 -5.298 -8.989 1.00 0.00 C ATOM 0 H LEU A 57 -0.151 -4.818 -10.063 1.00 0.00 H new ATOM 0 HA LEU A 57 1.905 -6.179 -11.484 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.261 -7.241 -9.175 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.910 -7.652 -9.600 1.00 0.00 H new ATOM 0 HG LEU A 57 1.027 -4.934 -8.591 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.111 -5.590 -6.477 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.735 -6.648 -6.871 1.00 0.00 H new ATOM 0 HD13 LEU A 57 2.400 -7.218 -7.137 1.00 0.00 H new ATOM 0 HD21 LEU A 57 3.442 -4.553 -8.275 1.00 0.00 H new ATOM 0 HD22 LEU A 57 3.783 -6.140 -9.005 1.00 0.00 H new ATOM 0 HD23 LEU A 57 3.039 -4.853 -9.982 1.00 0.00 H new ATOM 886 N ARG A 58 -1.096 -7.575 -11.436 1.00 0.00 N ATOM 887 CA ARG A 58 -1.941 -8.553 -12.109 1.00 0.00 C ATOM 888 C ARG A 58 -3.099 -7.868 -12.830 1.00 0.00 C ATOM 889 O ARG A 58 -3.477 -6.747 -12.491 1.00 0.00 O ATOM 890 CB ARG A 58 -2.483 -9.569 -11.102 1.00 0.00 C ATOM 891 CG ARG A 58 -2.737 -10.944 -11.700 1.00 0.00 C ATOM 892 CD ARG A 58 -3.819 -11.692 -10.937 1.00 0.00 C ATOM 893 NE ARG A 58 -4.146 -12.970 -11.563 1.00 0.00 N ATOM 894 CZ ARG A 58 -3.471 -14.092 -11.340 1.00 0.00 C ATOM 895 NH1 ARG A 58 -2.437 -14.093 -10.510 1.00 0.00 N ATOM 896 NH2 ARG A 58 -3.830 -15.216 -11.947 1.00 0.00 N ATOM 0 H ARG A 58 -1.564 -7.050 -10.697 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.332 -9.073 -12.849 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -1.775 -9.665 -10.279 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -3.413 -9.188 -10.680 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.033 -10.839 -12.744 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -1.814 -11.524 -11.687 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -3.487 -11.864 -9.913 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.716 -11.075 -10.882 1.00 0.00 H new ATOM 0 HE ARG A 58 -4.936 -13.003 -12.207 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -2.158 -13.231 -10.041 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -1.920 -14.956 -10.340 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -4.625 -15.219 -12.586 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -3.311 -16.077 -11.775 1.00 0.00 H new ATOM 910 N ALA A 59 -3.656 -8.550 -13.825 1.00 0.00 N ATOM 911 CA ALA A 59 -4.771 -8.008 -14.592 1.00 0.00 C ATOM 912 C ALA A 59 -6.108 -8.437 -13.995 1.00 0.00 C ATOM 913 O ALA A 59 -6.268 -9.578 -13.563 1.00 0.00 O ATOM 914 CB ALA A 59 -4.674 -8.447 -16.045 1.00 0.00 C ATOM 0 H ALA A 59 -3.354 -9.479 -14.119 1.00 0.00 H new ATOM 0 HA ALA A 59 -4.716 -6.920 -14.548 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -5.513 -8.035 -16.606 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.739 -8.086 -16.473 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -4.701 -9.535 -16.099 1.00 0.00 H new ATOM 920 N HIS A 60 -7.064 -7.514 -13.975 1.00 0.00 N ATOM 921 CA HIS A 60 -8.388 -7.797 -13.431 1.00 0.00 C ATOM 922 C HIS A 60 -8.310 -8.083 -11.935 1.00 0.00 C ATOM 923 O HIS A 60 -9.073 -8.893 -11.407 1.00 0.00 O ATOM 924 CB HIS A 60 -9.017 -8.986 -14.158 1.00 0.00 C ATOM 925 CG HIS A 60 -8.828 -8.949 -15.643 1.00 0.00 C ATOM 926 ND1 HIS A 60 -8.739 -10.086 -16.418 1.00 0.00 N ATOM 927 CD2 HIS A 60 -8.712 -7.904 -16.495 1.00 0.00 C ATOM 928 CE1 HIS A 60 -8.575 -9.741 -17.683 1.00 0.00 C ATOM 929 NE2 HIS A 60 -8.555 -8.423 -17.757 1.00 0.00 N ATOM 0 H HIS A 60 -6.947 -6.564 -14.329 1.00 0.00 H new ATOM 0 HA HIS A 60 -9.013 -6.917 -13.582 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -8.587 -9.908 -13.768 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -10.084 -9.014 -13.936 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -8.738 -6.857 -16.232 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -8.474 -10.422 -18.515 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -8.441 -7.879 -18.612 1.00 0.00 H new ATOM 938 N SER A 61 -7.384 -7.413 -11.256 1.00 0.00 N ATOM 939 CA SER A 61 -7.204 -7.599 -9.821 1.00 0.00 C ATOM 940 C SER A 61 -8.293 -6.872 -9.038 1.00 0.00 C ATOM 941 O SER A 61 -8.880 -7.427 -8.109 1.00 0.00 O ATOM 942 CB SER A 61 -5.826 -7.094 -9.389 1.00 0.00 C ATOM 943 OG SER A 61 -4.827 -7.482 -10.316 1.00 0.00 O ATOM 0 H SER A 61 -6.747 -6.737 -11.677 1.00 0.00 H new ATOM 0 HA SER A 61 -7.276 -8.665 -9.606 1.00 0.00 H new ATOM 0 HB2 SER A 61 -5.844 -6.008 -9.303 1.00 0.00 H new ATOM 0 HB3 SER A 61 -5.584 -7.488 -8.402 1.00 0.00 H new ATOM 0 HG SER A 61 -4.006 -6.974 -10.144 1.00 0.00 H new ATOM 949 N ILE A 62 -8.556 -5.627 -9.421 1.00 0.00 N ATOM 950 CA ILE A 62 -9.575 -4.823 -8.756 1.00 0.00 C ATOM 951 C ILE A 62 -10.241 -3.862 -9.734 1.00 0.00 C ATOM 952 O ILE A 62 -9.571 -3.214 -10.537 1.00 0.00 O ATOM 953 CB ILE A 62 -8.981 -4.018 -7.586 1.00 0.00 C ATOM 954 CG1 ILE A 62 -8.360 -4.960 -6.552 1.00 0.00 C ATOM 955 CG2 ILE A 62 -10.053 -3.150 -6.943 1.00 0.00 C ATOM 956 CD1 ILE A 62 -7.715 -4.240 -5.389 1.00 0.00 C ATOM 0 H ILE A 62 -8.078 -5.153 -10.188 1.00 0.00 H new ATOM 0 HA ILE A 62 -10.321 -5.516 -8.367 1.00 0.00 H new ATOM 0 HB ILE A 62 -8.197 -3.367 -7.973 1.00 0.00 H new ATOM 0 HG12 ILE A 62 -9.132 -5.629 -6.172 1.00 0.00 H new ATOM 0 HG13 ILE A 62 -7.612 -5.583 -7.043 1.00 0.00 H new ATOM 0 HG21 ILE A 62 -9.618 -2.587 -6.117 1.00 0.00 H new ATOM 0 HG22 ILE A 62 -10.453 -2.458 -7.684 1.00 0.00 H new ATOM 0 HG23 ILE A 62 -10.857 -3.783 -6.567 1.00 0.00 H new ATOM 0 HD11 ILE A 62 -7.296 -4.970 -4.696 1.00 0.00 H new ATOM 0 HD12 ILE A 62 -6.920 -3.592 -5.758 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -8.463 -3.638 -4.873 1.00 0.00 H new ATOM 968 N ASN A 63 -11.565 -3.773 -9.659 1.00 0.00 N ATOM 969 CA ASN A 63 -12.323 -2.889 -10.538 1.00 0.00 C ATOM 970 C ASN A 63 -12.318 -1.459 -10.006 1.00 0.00 C ATOM 971 O ASN A 63 -12.805 -1.192 -8.906 1.00 0.00 O ATOM 972 CB ASN A 63 -13.763 -3.388 -10.679 1.00 0.00 C ATOM 973 CG ASN A 63 -14.657 -2.382 -11.377 1.00 0.00 C ATOM 974 OD1 ASN A 63 -14.238 -1.263 -11.674 1.00 0.00 O ATOM 975 ND2 ASN A 63 -15.896 -2.777 -11.644 1.00 0.00 N ATOM 0 H ASN A 63 -12.135 -4.302 -8.999 1.00 0.00 H new ATOM 0 HA ASN A 63 -11.846 -2.895 -11.518 1.00 0.00 H new ATOM 0 HB2 ASN A 63 -13.767 -4.324 -11.238 1.00 0.00 H new ATOM 0 HB3 ASN A 63 -14.168 -3.606 -9.691 1.00 0.00 H new ATOM 0 HD21 ASN A 63 -16.543 -2.144 -12.114 1.00 0.00 H new ATOM 0 HD22 ASN A 63 -16.201 -3.714 -11.380 1.00 0.00 H new ATOM 982 N LEU A 64 -11.765 -0.543 -10.793 1.00 0.00 N ATOM 983 CA LEU A 64 -11.697 0.861 -10.402 1.00 0.00 C ATOM 984 C LEU A 64 -13.083 1.399 -10.061 1.00 0.00 C ATOM 985 O LEU A 64 -13.264 2.087 -9.057 1.00 0.00 O ATOM 986 CB LEU A 64 -11.076 1.694 -11.525 1.00 0.00 C ATOM 987 CG LEU A 64 -9.613 1.395 -11.852 1.00 0.00 C ATOM 988 CD1 LEU A 64 -9.193 2.111 -13.126 1.00 0.00 C ATOM 989 CD2 LEU A 64 -8.714 1.797 -10.691 1.00 0.00 C ATOM 0 H LEU A 64 -11.357 -0.747 -11.705 1.00 0.00 H new ATOM 0 HA LEU A 64 -11.070 0.935 -9.513 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -11.667 1.547 -12.429 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -11.160 2.747 -11.258 1.00 0.00 H new ATOM 0 HG LEU A 64 -9.509 0.322 -12.012 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -8.149 1.886 -13.342 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -9.816 1.775 -13.955 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -9.313 3.186 -12.995 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -7.676 1.577 -10.941 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.823 2.865 -10.499 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -8.999 1.238 -9.800 1.00 0.00 H new ATOM 1001 N LYS A 65 -14.060 1.079 -10.904 1.00 0.00 N ATOM 1002 CA LYS A 65 -15.431 1.527 -10.691 1.00 0.00 C ATOM 1003 C LYS A 65 -15.944 1.081 -9.325 1.00 0.00 C ATOM 1004 O LYS A 65 -16.706 1.796 -8.675 1.00 0.00 O ATOM 1005 CB LYS A 65 -16.344 0.982 -11.793 1.00 0.00 C ATOM 1006 CG LYS A 65 -16.303 1.797 -13.074 1.00 0.00 C ATOM 1007 CD LYS A 65 -14.897 1.869 -13.644 1.00 0.00 C ATOM 1008 CE LYS A 65 -14.472 0.541 -14.251 1.00 0.00 C ATOM 1009 NZ LYS A 65 -13.516 0.726 -15.378 1.00 0.00 N ATOM 0 H LYS A 65 -13.927 0.511 -11.741 1.00 0.00 H new ATOM 0 HA LYS A 65 -15.440 2.616 -10.725 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -16.057 -0.045 -12.016 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -17.369 0.953 -11.423 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -16.973 1.353 -13.810 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -16.669 2.805 -12.877 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -14.851 2.649 -14.404 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -14.198 2.150 -12.856 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -14.011 -0.079 -13.482 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -15.353 0.006 -14.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.251 -0.202 -15.764 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.964 1.296 -16.124 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.664 1.214 -15.034 1.00 0.00 H new ATOM 1023 N GLU A 66 -15.519 -0.103 -8.896 1.00 0.00 N ATOM 1024 CA GLU A 66 -15.935 -0.643 -7.607 1.00 0.00 C ATOM 1025 C GLU A 66 -15.389 0.204 -6.461 1.00 0.00 C ATOM 1026 O GLU A 66 -15.974 0.255 -5.379 1.00 0.00 O ATOM 1027 CB GLU A 66 -15.461 -2.090 -7.458 1.00 0.00 C ATOM 1028 CG GLU A 66 -16.321 -3.092 -8.209 1.00 0.00 C ATOM 1029 CD GLU A 66 -16.145 -4.509 -7.699 1.00 0.00 C ATOM 1030 OE1 GLU A 66 -15.022 -4.853 -7.274 1.00 0.00 O ATOM 1031 OE2 GLU A 66 -17.131 -5.275 -7.726 1.00 0.00 O ATOM 0 H GLU A 66 -14.887 -0.707 -9.422 1.00 0.00 H new ATOM 0 HA GLU A 66 -17.024 -0.620 -7.566 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.434 -2.166 -7.815 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -15.451 -2.353 -6.400 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -17.369 -2.805 -8.120 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -16.071 -3.058 -9.269 1.00 0.00 H new ATOM 1038 N ILE A 67 -14.263 0.866 -6.707 1.00 0.00 N ATOM 1039 CA ILE A 67 -13.638 1.710 -5.697 1.00 0.00 C ATOM 1040 C ILE A 67 -13.936 3.184 -5.951 1.00 0.00 C ATOM 1041 O ILE A 67 -13.758 3.681 -7.061 1.00 0.00 O ATOM 1042 CB ILE A 67 -12.112 1.507 -5.659 1.00 0.00 C ATOM 1043 CG1 ILE A 67 -11.521 1.652 -7.063 1.00 0.00 C ATOM 1044 CG2 ILE A 67 -11.774 0.143 -5.074 1.00 0.00 C ATOM 1045 CD1 ILE A 67 -10.012 1.541 -7.098 1.00 0.00 C ATOM 0 H ILE A 67 -13.765 0.834 -7.597 1.00 0.00 H new ATOM 0 HA ILE A 67 -14.060 1.416 -4.736 1.00 0.00 H new ATOM 0 HB ILE A 67 -11.674 2.274 -5.020 1.00 0.00 H new ATOM 0 HG12 ILE A 67 -11.949 0.886 -7.709 1.00 0.00 H new ATOM 0 HG13 ILE A 67 -11.816 2.617 -7.475 1.00 0.00 H new ATOM 0 HG21 ILE A 67 -10.692 0.014 -5.054 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -12.167 0.075 -4.060 1.00 0.00 H new ATOM 0 HG23 ILE A 67 -12.221 -0.638 -5.689 1.00 0.00 H new ATOM 0 HD11 ILE A 67 -9.663 1.653 -8.124 1.00 0.00 H new ATOM 0 HD12 ILE A 67 -9.575 2.324 -6.478 1.00 0.00 H new ATOM 0 HD13 ILE A 67 -9.710 0.566 -6.717 1.00 0.00 H new ATOM 1057 N ASN A 68 -14.390 3.878 -4.912 1.00 0.00 N ATOM 1058 CA ASN A 68 -14.713 5.296 -5.021 1.00 0.00 C ATOM 1059 C ASN A 68 -13.453 6.124 -5.254 1.00 0.00 C ATOM 1060 O ASN A 68 -12.554 6.156 -4.412 1.00 0.00 O ATOM 1061 CB ASN A 68 -15.426 5.777 -3.756 1.00 0.00 C ATOM 1062 CG ASN A 68 -16.625 4.916 -3.406 1.00 0.00 C ATOM 1063 OD1 ASN A 68 -17.657 4.968 -4.074 1.00 0.00 O ATOM 1064 ND2 ASN A 68 -16.492 4.119 -2.352 1.00 0.00 N ATOM 0 H ASN A 68 -14.542 3.481 -3.985 1.00 0.00 H new ATOM 0 HA ASN A 68 -15.376 5.427 -5.876 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -14.724 5.773 -2.922 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -15.751 6.808 -3.895 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -17.265 3.517 -2.067 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -15.617 4.109 -1.827 1.00 0.00 H new ATOM 1173 N GLN A 75 -14.492 9.564 5.197 1.00 0.00 N ATOM 1174 CA GLN A 75 -14.359 8.546 6.232 1.00 0.00 C ATOM 1175 C GLN A 75 -15.003 7.235 5.793 1.00 0.00 C ATOM 1176 O GLN A 75 -14.398 6.168 5.898 1.00 0.00 O ATOM 1177 CB GLN A 75 -14.996 9.029 7.536 1.00 0.00 C ATOM 1178 CG GLN A 75 -15.033 7.968 8.625 1.00 0.00 C ATOM 1179 CD GLN A 75 -15.914 8.362 9.794 1.00 0.00 C ATOM 1180 OE1 GLN A 75 -16.763 9.246 9.676 1.00 0.00 O ATOM 1181 NE2 GLN A 75 -15.717 7.706 10.931 1.00 0.00 N ATOM 0 HA GLN A 75 -13.296 8.369 6.398 1.00 0.00 H new ATOM 0 HB2 GLN A 75 -14.443 9.894 7.902 1.00 0.00 H new ATOM 0 HB3 GLN A 75 -16.013 9.364 7.332 1.00 0.00 H new ATOM 0 HG2 GLN A 75 -15.395 7.031 8.202 1.00 0.00 H new ATOM 0 HG3 GLN A 75 -14.020 7.785 8.984 1.00 0.00 H new ATOM 0 HE21 GLN A 75 -15.002 6.980 10.984 1.00 0.00 H new ATOM 0 HE22 GLN A 75 -16.281 7.927 11.752 1.00 0.00 H new ATOM 1190 N PHE A 76 -16.235 7.322 5.301 1.00 0.00 N ATOM 1191 CA PHE A 76 -16.962 6.143 4.846 1.00 0.00 C ATOM 1192 C PHE A 76 -16.374 5.610 3.543 1.00 0.00 C ATOM 1193 O PHE A 76 -16.136 4.410 3.400 1.00 0.00 O ATOM 1194 CB PHE A 76 -18.443 6.474 4.653 1.00 0.00 C ATOM 1195 CG PHE A 76 -19.175 6.721 5.942 1.00 0.00 C ATOM 1196 CD1 PHE A 76 -18.926 7.862 6.687 1.00 0.00 C ATOM 1197 CD2 PHE A 76 -20.112 5.812 6.407 1.00 0.00 C ATOM 1198 CE1 PHE A 76 -19.597 8.091 7.873 1.00 0.00 C ATOM 1199 CE2 PHE A 76 -20.787 6.036 7.592 1.00 0.00 C ATOM 1200 CZ PHE A 76 -20.530 7.178 8.326 1.00 0.00 C ATOM 0 H PHE A 76 -16.750 8.197 5.207 1.00 0.00 H new ATOM 0 HA PHE A 76 -16.866 5.371 5.609 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -18.530 7.357 4.020 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -18.925 5.653 4.123 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -18.199 8.580 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -20.317 4.918 5.837 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -19.392 8.983 8.446 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -21.514 5.319 7.944 1.00 0.00 H new ATOM 0 HZ PHE A 76 -21.057 7.357 9.252 1.00 0.00 H new ATOM 1210 N LEU A 77 -16.143 6.511 2.594 1.00 0.00 N ATOM 1211 CA LEU A 77 -15.583 6.133 1.300 1.00 0.00 C ATOM 1212 C LEU A 77 -14.204 5.504 1.467 1.00 0.00 C ATOM 1213 O LEU A 77 -13.941 4.416 0.952 1.00 0.00 O ATOM 1214 CB LEU A 77 -15.492 7.355 0.385 1.00 0.00 C ATOM 1215 CG LEU A 77 -16.800 8.109 0.140 1.00 0.00 C ATOM 1216 CD1 LEU A 77 -16.538 9.396 -0.627 1.00 0.00 C ATOM 1217 CD2 LEU A 77 -17.789 7.230 -0.611 1.00 0.00 C ATOM 0 H LEU A 77 -16.335 7.508 2.696 1.00 0.00 H new ATOM 0 HA LEU A 77 -16.245 5.396 0.846 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.769 8.051 0.812 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -15.095 7.034 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 77 -17.235 8.368 1.105 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -17.480 9.919 -0.792 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -15.866 10.032 -0.051 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -16.081 9.160 -1.588 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -18.714 7.782 -0.777 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -17.362 6.941 -1.571 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -18.000 6.336 -0.024 1.00 0.00 H new ATOM 1229 N CYS A 78 -13.328 6.194 2.189 1.00 0.00 N ATOM 1230 CA CYS A 78 -11.975 5.702 2.425 1.00 0.00 C ATOM 1231 C CYS A 78 -12.004 4.337 3.105 1.00 0.00 C ATOM 1232 O CYS A 78 -11.514 3.348 2.557 1.00 0.00 O ATOM 1233 CB CYS A 78 -11.191 6.696 3.283 1.00 0.00 C ATOM 1234 SG CYS A 78 -10.777 8.238 2.434 1.00 0.00 S ATOM 0 H CYS A 78 -13.530 7.096 2.621 1.00 0.00 H new ATOM 0 HA CYS A 78 -11.480 5.597 1.460 1.00 0.00 H new ATOM 0 HB2 CYS A 78 -11.774 6.929 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 78 -10.270 6.221 3.620 1.00 0.00 H new ATOM 0 HG CYS A 78 -10.117 9.014 3.241 1.00 0.00 H new ATOM 1240 N LEU A 79 -12.579 4.290 4.302 1.00 0.00 N ATOM 1241 CA LEU A 79 -12.670 3.046 5.058 1.00 0.00 C ATOM 1242 C LEU A 79 -13.138 1.899 4.167 1.00 0.00 C ATOM 1243 O LEU A 79 -12.567 0.808 4.189 1.00 0.00 O ATOM 1244 CB LEU A 79 -13.628 3.213 6.239 1.00 0.00 C ATOM 1245 CG LEU A 79 -13.026 3.805 7.513 1.00 0.00 C ATOM 1246 CD1 LEU A 79 -14.117 4.109 8.528 1.00 0.00 C ATOM 1247 CD2 LEU A 79 -11.994 2.856 8.106 1.00 0.00 C ATOM 0 H LEU A 79 -12.989 5.099 4.769 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.676 2.806 5.435 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -14.455 3.848 5.923 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.050 2.237 6.480 1.00 0.00 H new ATOM 0 HG LEU A 79 -12.527 4.739 7.256 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -13.669 4.530 9.428 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -14.820 4.826 8.103 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -14.645 3.190 8.781 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -11.576 3.294 9.012 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -12.470 1.906 8.348 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -11.196 2.688 7.383 1.00 0.00 H new ATOM 1259 N LYS A 80 -14.178 2.154 3.382 1.00 0.00 N ATOM 1260 CA LYS A 80 -14.722 1.146 2.479 1.00 0.00 C ATOM 1261 C LYS A 80 -13.695 0.752 1.422 1.00 0.00 C ATOM 1262 O LYS A 80 -13.344 -0.420 1.292 1.00 0.00 O ATOM 1263 CB LYS A 80 -15.991 1.669 1.803 1.00 0.00 C ATOM 1264 CG LYS A 80 -16.762 0.599 1.048 1.00 0.00 C ATOM 1265 CD LYS A 80 -16.064 0.216 -0.246 1.00 0.00 C ATOM 1266 CE LYS A 80 -17.035 -0.395 -1.244 1.00 0.00 C ATOM 1267 NZ LYS A 80 -17.909 0.636 -1.870 1.00 0.00 N ATOM 0 H LYS A 80 -14.662 3.051 3.352 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.969 0.262 3.067 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -16.641 2.108 2.560 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -15.722 2.467 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -16.872 -0.284 1.678 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -17.766 0.961 0.827 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.598 1.099 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.265 -0.494 -0.033 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -16.477 -0.918 -2.021 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -17.653 -1.138 -0.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.423 0.216 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -18.591 0.987 -1.167 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.325 1.426 -2.210 1.00 0.00 H new ATOM 1281 N ASN A 81 -13.218 1.738 0.671 1.00 0.00 N ATOM 1282 CA ASN A 81 -12.230 1.494 -0.374 1.00 0.00 C ATOM 1283 C ASN A 81 -11.138 0.550 0.119 1.00 0.00 C ATOM 1284 O ASN A 81 -10.956 -0.541 -0.421 1.00 0.00 O ATOM 1285 CB ASN A 81 -11.609 2.813 -0.837 1.00 0.00 C ATOM 1286 CG ASN A 81 -12.652 3.809 -1.308 1.00 0.00 C ATOM 1287 OD1 ASN A 81 -13.846 3.511 -1.329 1.00 0.00 O ATOM 1288 ND2 ASN A 81 -12.203 4.999 -1.690 1.00 0.00 N ATOM 0 H ASN A 81 -13.499 2.714 0.766 1.00 0.00 H new ATOM 0 HA ASN A 81 -12.738 1.025 -1.216 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -11.037 3.250 -0.018 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -10.906 2.616 -1.647 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -12.857 5.710 -2.018 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -11.204 5.202 -1.656 1.00 0.00 H new ATOM 1295 N ILE A 82 -10.415 0.978 1.149 1.00 0.00 N ATOM 1296 CA ILE A 82 -9.342 0.171 1.716 1.00 0.00 C ATOM 1297 C ILE A 82 -9.724 -1.304 1.753 1.00 0.00 C ATOM 1298 O ILE A 82 -9.018 -2.153 1.208 1.00 0.00 O ATOM 1299 CB ILE A 82 -8.984 0.632 3.142 1.00 0.00 C ATOM 1300 CG1 ILE A 82 -8.523 2.091 3.128 1.00 0.00 C ATOM 1301 CG2 ILE A 82 -7.907 -0.264 3.734 1.00 0.00 C ATOM 1302 CD1 ILE A 82 -8.340 2.680 4.510 1.00 0.00 C ATOM 0 H ILE A 82 -10.553 1.879 1.607 1.00 0.00 H new ATOM 0 HA ILE A 82 -8.474 0.303 1.071 1.00 0.00 H new ATOM 0 HB ILE A 82 -9.874 0.557 3.767 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -7.581 2.161 2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -9.252 2.689 2.581 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -7.665 0.075 4.741 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -8.270 -1.291 3.774 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -7.013 -0.219 3.112 1.00 0.00 H new ATOM 0 HD11 ILE A 82 -8.012 3.716 4.424 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -9.286 2.642 5.050 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -7.589 2.106 5.054 1.00 0.00 H new ATOM 1314 N ARG A 83 -10.848 -1.603 2.396 1.00 0.00 N ATOM 1315 CA ARG A 83 -11.325 -2.977 2.503 1.00 0.00 C ATOM 1316 C ARG A 83 -11.271 -3.678 1.149 1.00 0.00 C ATOM 1317 O ARG A 83 -10.797 -4.810 1.041 1.00 0.00 O ATOM 1318 CB ARG A 83 -12.756 -3.001 3.044 1.00 0.00 C ATOM 1319 CG ARG A 83 -12.838 -2.846 4.554 1.00 0.00 C ATOM 1320 CD ARG A 83 -14.134 -2.170 4.974 1.00 0.00 C ATOM 1321 NE ARG A 83 -14.487 -2.476 6.358 1.00 0.00 N ATOM 1322 CZ ARG A 83 -15.415 -1.817 7.043 1.00 0.00 C ATOM 1323 NH1 ARG A 83 -16.080 -0.820 6.475 1.00 0.00 N ATOM 1324 NH2 ARG A 83 -15.680 -2.154 8.298 1.00 0.00 N ATOM 0 H ARG A 83 -11.445 -0.913 2.851 1.00 0.00 H new ATOM 0 HA ARG A 83 -10.672 -3.509 3.195 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -13.327 -2.201 2.573 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -13.228 -3.941 2.757 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -12.768 -3.826 5.026 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -11.989 -2.260 4.908 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -14.035 -1.091 4.855 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -14.941 -2.491 4.315 1.00 0.00 H new ATOM 0 HE ARG A 83 -13.994 -3.238 6.824 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -15.879 -0.558 5.510 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -16.792 -0.316 7.003 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -15.171 -2.920 8.739 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -16.393 -1.647 8.823 1.00 0.00 H new ATOM 1338 N THR A 84 -11.759 -2.998 0.116 1.00 0.00 N ATOM 1339 CA THR A 84 -11.767 -3.556 -1.231 1.00 0.00 C ATOM 1340 C THR A 84 -10.408 -4.143 -1.591 1.00 0.00 C ATOM 1341 O THR A 84 -10.323 -5.213 -2.195 1.00 0.00 O ATOM 1342 CB THR A 84 -12.148 -2.492 -2.277 1.00 0.00 C ATOM 1343 OG1 THR A 84 -13.366 -1.843 -1.896 1.00 0.00 O ATOM 1344 CG2 THR A 84 -12.311 -3.120 -3.653 1.00 0.00 C ATOM 0 H THR A 84 -12.154 -2.060 0.186 1.00 0.00 H new ATOM 0 HA THR A 84 -12.515 -4.348 -1.241 1.00 0.00 H new ATOM 0 HB THR A 84 -11.345 -1.757 -2.323 1.00 0.00 H new ATOM 0 HG1 THR A 84 -13.600 -1.167 -2.566 1.00 0.00 H new ATOM 0 HG21 THR A 84 -12.580 -2.349 -4.375 1.00 0.00 H new ATOM 0 HG22 THR A 84 -11.373 -3.587 -3.953 1.00 0.00 H new ATOM 0 HG23 THR A 84 -13.097 -3.874 -3.618 1.00 0.00 H new ATOM 1352 N PHE A 85 -9.346 -3.438 -1.217 1.00 0.00 N ATOM 1353 CA PHE A 85 -7.989 -3.890 -1.501 1.00 0.00 C ATOM 1354 C PHE A 85 -7.668 -5.166 -0.729 1.00 0.00 C ATOM 1355 O PHE A 85 -7.406 -6.215 -1.320 1.00 0.00 O ATOM 1356 CB PHE A 85 -6.979 -2.797 -1.144 1.00 0.00 C ATOM 1357 CG PHE A 85 -5.580 -3.311 -0.959 1.00 0.00 C ATOM 1358 CD1 PHE A 85 -4.761 -3.540 -2.053 1.00 0.00 C ATOM 1359 CD2 PHE A 85 -5.084 -3.565 0.310 1.00 0.00 C ATOM 1360 CE1 PHE A 85 -3.473 -4.013 -1.884 1.00 0.00 C ATOM 1361 CE2 PHE A 85 -3.797 -4.038 0.484 1.00 0.00 C ATOM 1362 CZ PHE A 85 -2.990 -4.261 -0.614 1.00 0.00 C ATOM 0 H PHE A 85 -9.399 -2.551 -0.716 1.00 0.00 H new ATOM 0 HA PHE A 85 -7.920 -4.104 -2.568 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -6.979 -2.042 -1.930 1.00 0.00 H new ATOM 0 HB3 PHE A 85 -7.300 -2.302 -0.227 1.00 0.00 H new ATOM 0 HD1 PHE A 85 -5.133 -3.347 -3.048 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -5.710 -3.391 1.173 1.00 0.00 H new ATOM 0 HE1 PHE A 85 -2.845 -4.189 -2.745 1.00 0.00 H new ATOM 0 HE2 PHE A 85 -3.423 -4.233 1.478 1.00 0.00 H new ATOM 0 HZ PHE A 85 -1.983 -4.629 -0.480 1.00 0.00 H new ATOM 1372 N LEU A 86 -7.689 -5.070 0.596 1.00 0.00 N ATOM 1373 CA LEU A 86 -7.399 -6.216 1.451 1.00 0.00 C ATOM 1374 C LEU A 86 -8.138 -7.459 0.965 1.00 0.00 C ATOM 1375 O LEU A 86 -7.663 -8.583 1.132 1.00 0.00 O ATOM 1376 CB LEU A 86 -7.791 -5.910 2.898 1.00 0.00 C ATOM 1377 CG LEU A 86 -7.200 -4.633 3.497 1.00 0.00 C ATOM 1378 CD1 LEU A 86 -7.966 -4.226 4.747 1.00 0.00 C ATOM 1379 CD2 LEU A 86 -5.724 -4.826 3.813 1.00 0.00 C ATOM 0 H LEU A 86 -7.904 -4.211 1.102 1.00 0.00 H new ATOM 0 HA LEU A 86 -6.328 -6.411 1.404 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -8.878 -5.844 2.953 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -7.491 -6.753 3.521 1.00 0.00 H new ATOM 0 HG LEU A 86 -7.292 -3.833 2.762 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -7.532 -3.315 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -9.010 -4.046 4.491 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -7.906 -5.024 5.487 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -5.320 -3.907 4.238 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -5.609 -5.639 4.530 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -5.185 -5.070 2.898 1.00 0.00 H new ATOM 1391 N THR A 87 -9.303 -7.249 0.359 1.00 0.00 N ATOM 1392 CA THR A 87 -10.107 -8.352 -0.153 1.00 0.00 C ATOM 1393 C THR A 87 -9.399 -9.061 -1.302 1.00 0.00 C ATOM 1394 O THR A 87 -9.179 -10.271 -1.255 1.00 0.00 O ATOM 1395 CB THR A 87 -11.486 -7.864 -0.637 1.00 0.00 C ATOM 1396 OG1 THR A 87 -12.102 -7.057 0.373 1.00 0.00 O ATOM 1397 CG2 THR A 87 -12.389 -9.041 -0.973 1.00 0.00 C ATOM 0 H THR A 87 -9.710 -6.326 0.211 1.00 0.00 H new ATOM 0 HA THR A 87 -10.246 -9.052 0.671 1.00 0.00 H new ATOM 0 HB THR A 87 -11.341 -7.269 -1.539 1.00 0.00 H new ATOM 0 HG1 THR A 87 -11.736 -6.149 0.334 1.00 0.00 H new ATOM 0 HG21 THR A 87 -13.357 -8.672 -1.312 1.00 0.00 H new ATOM 0 HG22 THR A 87 -11.931 -9.637 -1.762 1.00 0.00 H new ATOM 0 HG23 THR A 87 -12.527 -9.659 -0.086 1.00 0.00 H new ATOM 1405 N ALA A 88 -9.045 -8.300 -2.333 1.00 0.00 N ATOM 1406 CA ALA A 88 -8.360 -8.856 -3.493 1.00 0.00 C ATOM 1407 C ALA A 88 -7.093 -9.596 -3.079 1.00 0.00 C ATOM 1408 O ALA A 88 -6.736 -10.615 -3.672 1.00 0.00 O ATOM 1409 CB ALA A 88 -8.028 -7.754 -4.488 1.00 0.00 C ATOM 0 H ALA A 88 -9.221 -7.297 -2.388 1.00 0.00 H new ATOM 0 HA ALA A 88 -9.029 -9.572 -3.970 1.00 0.00 H new ATOM 0 HB1 ALA A 88 -7.517 -8.184 -5.349 1.00 0.00 H new ATOM 0 HB2 ALA A 88 -8.948 -7.271 -4.816 1.00 0.00 H new ATOM 0 HB3 ALA A 88 -7.381 -7.017 -4.012 1.00 0.00 H new ATOM 1415 N CYS A 89 -6.417 -9.079 -2.059 1.00 0.00 N ATOM 1416 CA CYS A 89 -5.188 -9.691 -1.567 1.00 0.00 C ATOM 1417 C CYS A 89 -5.419 -11.152 -1.195 1.00 0.00 C ATOM 1418 O CYS A 89 -4.478 -11.944 -1.138 1.00 0.00 O ATOM 1419 CB CYS A 89 -4.659 -8.921 -0.356 1.00 0.00 C ATOM 1420 SG CYS A 89 -3.528 -7.574 -0.774 1.00 0.00 S ATOM 0 H CYS A 89 -6.699 -8.237 -1.557 1.00 0.00 H new ATOM 0 HA CYS A 89 -4.447 -9.651 -2.365 1.00 0.00 H new ATOM 0 HB2 CYS A 89 -5.504 -8.513 0.199 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -4.148 -9.617 0.309 1.00 0.00 H new ATOM 0 HG CYS A 89 -4.045 -6.441 -0.399 1.00 0.00 H new ATOM 1426 N CYS A 90 -6.675 -11.500 -0.941 1.00 0.00 N ATOM 1427 CA CYS A 90 -7.030 -12.866 -0.571 1.00 0.00 C ATOM 1428 C CYS A 90 -7.858 -13.528 -1.667 1.00 0.00 C ATOM 1429 O CYS A 90 -7.825 -14.747 -1.832 1.00 0.00 O ATOM 1430 CB CYS A 90 -7.806 -12.874 0.747 1.00 0.00 C ATOM 1431 SG CYS A 90 -8.331 -14.519 1.284 1.00 0.00 S ATOM 0 H CYS A 90 -7.465 -10.856 -0.984 1.00 0.00 H new ATOM 0 HA CYS A 90 -6.108 -13.434 -0.445 1.00 0.00 H new ATOM 0 HB2 CYS A 90 -7.184 -12.431 1.525 1.00 0.00 H new ATOM 0 HB3 CYS A 90 -8.686 -12.240 0.642 1.00 0.00 H new ATOM 0 HG CYS A 90 -8.336 -15.327 0.266 1.00 0.00 H new ATOM 1437 N GLU A 91 -8.602 -12.716 -2.413 1.00 0.00 N ATOM 1438 CA GLU A 91 -9.440 -13.225 -3.492 1.00 0.00 C ATOM 1439 C GLU A 91 -8.664 -13.281 -4.804 1.00 0.00 C ATOM 1440 O GLU A 91 -8.596 -14.325 -5.454 1.00 0.00 O ATOM 1441 CB GLU A 91 -10.683 -12.347 -3.659 1.00 0.00 C ATOM 1442 CG GLU A 91 -11.532 -12.248 -2.402 1.00 0.00 C ATOM 1443 CD GLU A 91 -12.568 -13.351 -2.310 1.00 0.00 C ATOM 1444 OE1 GLU A 91 -13.512 -13.349 -3.129 1.00 0.00 O ATOM 1445 OE2 GLU A 91 -12.436 -14.216 -1.420 1.00 0.00 O ATOM 0 H GLU A 91 -8.641 -11.704 -2.290 1.00 0.00 H new ATOM 0 HA GLU A 91 -9.750 -14.237 -3.230 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -10.373 -11.346 -3.957 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -11.293 -12.746 -4.469 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -10.884 -12.289 -1.526 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -12.034 -11.281 -2.382 1.00 0.00 H new ATOM 1452 N THR A 92 -8.080 -12.151 -5.189 1.00 0.00 N ATOM 1453 CA THR A 92 -7.310 -12.070 -6.423 1.00 0.00 C ATOM 1454 C THR A 92 -6.022 -12.879 -6.322 1.00 0.00 C ATOM 1455 O THR A 92 -5.785 -13.789 -7.117 1.00 0.00 O ATOM 1456 CB THR A 92 -6.960 -10.611 -6.773 1.00 0.00 C ATOM 1457 OG1 THR A 92 -8.158 -9.865 -7.017 1.00 0.00 O ATOM 1458 CG2 THR A 92 -6.059 -10.549 -7.997 1.00 0.00 C ATOM 0 H THR A 92 -8.126 -11.278 -4.663 1.00 0.00 H new ATOM 0 HA THR A 92 -7.936 -12.485 -7.213 1.00 0.00 H new ATOM 0 HB THR A 92 -6.427 -10.175 -5.928 1.00 0.00 H new ATOM 0 HG1 THR A 92 -7.934 -9.026 -7.471 1.00 0.00 H new ATOM 0 HG21 THR A 92 -5.826 -9.509 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 92 -5.136 -11.093 -7.797 1.00 0.00 H new ATOM 0 HG23 THR A 92 -6.569 -11.001 -8.848 1.00 0.00 H new ATOM 1466 N PHE A 93 -5.193 -12.542 -5.340 1.00 0.00 N ATOM 1467 CA PHE A 93 -3.928 -13.238 -5.135 1.00 0.00 C ATOM 1468 C PHE A 93 -4.112 -14.443 -4.217 1.00 0.00 C ATOM 1469 O PHE A 93 -3.955 -15.588 -4.638 1.00 0.00 O ATOM 1470 CB PHE A 93 -2.887 -12.286 -4.542 1.00 0.00 C ATOM 1471 CG PHE A 93 -2.455 -11.205 -5.491 1.00 0.00 C ATOM 1472 CD1 PHE A 93 -3.366 -10.275 -5.965 1.00 0.00 C ATOM 1473 CD2 PHE A 93 -1.137 -11.119 -5.910 1.00 0.00 C ATOM 1474 CE1 PHE A 93 -2.971 -9.279 -6.838 1.00 0.00 C ATOM 1475 CE2 PHE A 93 -0.736 -10.125 -6.782 1.00 0.00 C ATOM 1476 CZ PHE A 93 -1.655 -9.204 -7.248 1.00 0.00 C ATOM 0 H PHE A 93 -5.374 -11.791 -4.674 1.00 0.00 H new ATOM 0 HA PHE A 93 -3.576 -13.592 -6.104 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -3.297 -11.827 -3.643 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.013 -12.861 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -4.397 -10.329 -5.649 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.415 -11.837 -5.551 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -3.691 -8.560 -7.199 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.295 -10.068 -7.099 1.00 0.00 H new ATOM 0 HZ PHE A 93 -1.344 -8.427 -7.931 1.00 0.00 H new ATOM 1486 N GLY A 94 -4.446 -14.175 -2.958 1.00 0.00 N ATOM 1487 CA GLY A 94 -4.645 -15.246 -1.999 1.00 0.00 C ATOM 1488 C GLY A 94 -3.499 -15.364 -1.015 1.00 0.00 C ATOM 1489 O GLY A 94 -2.838 -16.399 -0.943 1.00 0.00 O ATOM 0 H GLY A 94 -4.582 -13.235 -2.585 1.00 0.00 H new ATOM 0 HA2 GLY A 94 -5.572 -15.073 -1.453 1.00 0.00 H new ATOM 0 HA3 GLY A 94 -4.761 -16.190 -2.532 1.00 0.00 H new ATOM 1493 N MET A 95 -3.262 -14.300 -0.255 1.00 0.00 N ATOM 1494 CA MET A 95 -2.186 -14.289 0.730 1.00 0.00 C ATOM 1495 C MET A 95 -2.741 -14.435 2.143 1.00 0.00 C ATOM 1496 O MET A 95 -3.943 -14.284 2.367 1.00 0.00 O ATOM 1497 CB MET A 95 -1.377 -12.995 0.619 1.00 0.00 C ATOM 1498 CG MET A 95 -2.089 -11.782 1.194 1.00 0.00 C ATOM 1499 SD MET A 95 -1.241 -10.236 0.818 1.00 0.00 S ATOM 1500 CE MET A 95 0.176 -10.354 1.907 1.00 0.00 C ATOM 0 H MET A 95 -3.800 -13.435 -0.302 1.00 0.00 H new ATOM 0 HA MET A 95 -1.532 -15.137 0.526 1.00 0.00 H new ATOM 0 HB2 MET A 95 -0.426 -13.126 1.134 1.00 0.00 H new ATOM 0 HB3 MET A 95 -1.148 -12.808 -0.430 1.00 0.00 H new ATOM 0 HG2 MET A 95 -3.104 -11.740 0.799 1.00 0.00 H new ATOM 0 HG3 MET A 95 -2.172 -11.893 2.275 1.00 0.00 H new ATOM 0 HE1 MET A 95 0.565 -9.356 2.107 1.00 0.00 H new ATOM 0 HE2 MET A 95 -0.124 -10.821 2.845 1.00 0.00 H new ATOM 0 HE3 MET A 95 0.950 -10.957 1.433 1.00 0.00 H new ATOM 1510 N ARG A 96 -1.860 -14.731 3.093 1.00 0.00 N ATOM 1511 CA ARG A 96 -2.263 -14.899 4.484 1.00 0.00 C ATOM 1512 C ARG A 96 -2.969 -13.649 5.000 1.00 0.00 C ATOM 1513 O ARG A 96 -2.326 -12.655 5.340 1.00 0.00 O ATOM 1514 CB ARG A 96 -1.045 -15.208 5.356 1.00 0.00 C ATOM 1515 CG ARG A 96 -0.518 -16.624 5.187 1.00 0.00 C ATOM 1516 CD ARG A 96 -1.138 -17.573 6.201 1.00 0.00 C ATOM 1517 NE ARG A 96 -2.380 -18.163 5.710 1.00 0.00 N ATOM 1518 CZ ARG A 96 -3.576 -17.617 5.896 1.00 0.00 C ATOM 1519 NH1 ARG A 96 -3.692 -16.474 6.557 1.00 0.00 N ATOM 1520 NH2 ARG A 96 -4.661 -18.215 5.418 1.00 0.00 N ATOM 0 H ARG A 96 -0.862 -14.859 2.925 1.00 0.00 H new ATOM 0 HA ARG A 96 -2.960 -15.736 4.536 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -0.249 -14.502 5.117 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -1.308 -15.050 6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -0.734 -16.976 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 96 0.566 -16.626 5.300 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -0.428 -18.366 6.437 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -1.334 -17.035 7.128 1.00 0.00 H new ATOM 0 HE ARG A 96 -2.326 -19.042 5.196 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -2.861 -16.011 6.925 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -4.612 -16.058 6.698 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -4.576 -19.094 4.908 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -5.580 -17.795 5.561 1.00 0.00 H new ATOM 1534 N LYS A 97 -4.295 -13.705 5.057 1.00 0.00 N ATOM 1535 CA LYS A 97 -5.089 -12.578 5.533 1.00 0.00 C ATOM 1536 C LYS A 97 -4.562 -12.067 6.869 1.00 0.00 C ATOM 1537 O LYS A 97 -4.659 -10.877 7.172 1.00 0.00 O ATOM 1538 CB LYS A 97 -6.557 -12.987 5.674 1.00 0.00 C ATOM 1539 CG LYS A 97 -7.524 -11.818 5.594 1.00 0.00 C ATOM 1540 CD LYS A 97 -8.824 -12.119 6.321 1.00 0.00 C ATOM 1541 CE LYS A 97 -9.468 -10.850 6.860 1.00 0.00 C ATOM 1542 NZ LYS A 97 -10.625 -11.150 7.748 1.00 0.00 N ATOM 0 H LYS A 97 -4.843 -14.519 4.779 1.00 0.00 H new ATOM 0 HA LYS A 97 -5.010 -11.774 4.801 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -6.802 -13.705 4.891 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -6.694 -13.496 6.628 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -7.061 -10.931 6.027 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -7.735 -11.590 4.549 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -9.515 -12.619 5.642 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -8.631 -12.808 7.143 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -8.726 -10.273 7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -9.800 -10.229 6.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -11.036 -10.260 8.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -11.344 -11.679 7.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -10.304 -11.721 8.556 1.00 0.00 H new ATOM 1556 N SER A 98 -4.002 -12.972 7.666 1.00 0.00 N ATOM 1557 CA SER A 98 -3.462 -12.612 8.971 1.00 0.00 C ATOM 1558 C SER A 98 -2.325 -11.604 8.829 1.00 0.00 C ATOM 1559 O SER A 98 -2.113 -10.766 9.704 1.00 0.00 O ATOM 1560 CB SER A 98 -2.963 -13.861 9.702 1.00 0.00 C ATOM 1561 OG SER A 98 -2.890 -13.638 11.099 1.00 0.00 O ATOM 0 H SER A 98 -3.911 -13.960 7.430 1.00 0.00 H new ATOM 0 HA SER A 98 -4.261 -12.153 9.554 1.00 0.00 H new ATOM 0 HB2 SER A 98 -3.632 -14.697 9.498 1.00 0.00 H new ATOM 0 HB3 SER A 98 -1.980 -14.140 9.323 1.00 0.00 H new ATOM 0 HG SER A 98 -2.570 -14.451 11.544 1.00 0.00 H new ATOM 1567 N GLU A 99 -1.598 -11.694 7.720 1.00 0.00 N ATOM 1568 CA GLU A 99 -0.483 -10.790 7.464 1.00 0.00 C ATOM 1569 C GLU A 99 -0.983 -9.384 7.145 1.00 0.00 C ATOM 1570 O GLU A 99 -0.417 -8.392 7.606 1.00 0.00 O ATOM 1571 CB GLU A 99 0.371 -11.314 6.307 1.00 0.00 C ATOM 1572 CG GLU A 99 1.279 -12.468 6.694 1.00 0.00 C ATOM 1573 CD GLU A 99 1.715 -13.294 5.500 1.00 0.00 C ATOM 1574 OE1 GLU A 99 1.706 -12.756 4.372 1.00 0.00 O ATOM 1575 OE2 GLU A 99 2.065 -14.477 5.691 1.00 0.00 O ATOM 0 H GLU A 99 -1.761 -12.383 6.985 1.00 0.00 H new ATOM 0 HA GLU A 99 0.127 -10.743 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -0.286 -11.635 5.498 1.00 0.00 H new ATOM 0 HB3 GLU A 99 0.980 -10.498 5.918 1.00 0.00 H new ATOM 0 HG2 GLU A 99 2.161 -12.077 7.202 1.00 0.00 H new ATOM 0 HG3 GLU A 99 0.760 -13.111 7.405 1.00 0.00 H new ATOM 1582 N LEU A 100 -2.048 -9.307 6.354 1.00 0.00 N ATOM 1583 CA LEU A 100 -2.626 -8.023 5.972 1.00 0.00 C ATOM 1584 C LEU A 100 -2.761 -7.106 7.183 1.00 0.00 C ATOM 1585 O LEU A 100 -2.670 -7.552 8.327 1.00 0.00 O ATOM 1586 CB LEU A 100 -3.994 -8.231 5.320 1.00 0.00 C ATOM 1587 CG LEU A 100 -4.036 -9.213 4.148 1.00 0.00 C ATOM 1588 CD1 LEU A 100 -5.447 -9.315 3.588 1.00 0.00 C ATOM 1589 CD2 LEU A 100 -3.059 -8.788 3.062 1.00 0.00 C ATOM 0 H LEU A 100 -2.529 -10.118 5.965 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.957 -7.550 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.690 -8.578 6.084 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.359 -7.265 4.972 1.00 0.00 H new ATOM 0 HG LEU A 100 -3.739 -10.197 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -5.458 -10.018 2.755 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -6.123 -9.666 4.368 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -5.772 -8.335 3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -3.102 -9.498 2.236 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -3.326 -7.795 2.701 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -2.048 -8.767 3.470 1.00 0.00 H new ATOM 1601 N PHE A 101 -2.982 -5.821 6.924 1.00 0.00 N ATOM 1602 CA PHE A 101 -3.132 -4.840 7.993 1.00 0.00 C ATOM 1603 C PHE A 101 -4.606 -4.564 8.275 1.00 0.00 C ATOM 1604 O PHE A 101 -5.488 -5.179 7.677 1.00 0.00 O ATOM 1605 CB PHE A 101 -2.419 -3.538 7.622 1.00 0.00 C ATOM 1606 CG PHE A 101 -2.966 -2.886 6.385 1.00 0.00 C ATOM 1607 CD1 PHE A 101 -4.032 -2.005 6.463 1.00 0.00 C ATOM 1608 CD2 PHE A 101 -2.415 -3.156 5.142 1.00 0.00 C ATOM 1609 CE1 PHE A 101 -4.538 -1.403 5.326 1.00 0.00 C ATOM 1610 CE2 PHE A 101 -2.916 -2.557 4.002 1.00 0.00 C ATOM 1611 CZ PHE A 101 -3.980 -1.680 4.094 1.00 0.00 C ATOM 0 H PHE A 101 -3.061 -5.435 5.983 1.00 0.00 H new ATOM 0 HA PHE A 101 -2.679 -5.250 8.895 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -2.497 -2.840 8.456 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -1.358 -3.743 7.476 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -4.473 -1.786 7.424 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -1.585 -3.842 5.064 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -5.369 -0.717 5.401 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -2.476 -2.774 3.040 1.00 0.00 H new ATOM 0 HZ PHE A 101 -4.374 -1.212 3.204 1.00 0.00 H new ATOM 1621 N GLU A 102 -4.863 -3.635 9.190 1.00 0.00 N ATOM 1622 CA GLU A 102 -6.230 -3.279 9.553 1.00 0.00 C ATOM 1623 C GLU A 102 -6.648 -1.974 8.881 1.00 0.00 C ATOM 1624 O GLU A 102 -5.917 -0.985 8.913 1.00 0.00 O ATOM 1625 CB GLU A 102 -6.361 -3.148 11.071 1.00 0.00 C ATOM 1626 CG GLU A 102 -6.281 -4.476 11.806 1.00 0.00 C ATOM 1627 CD GLU A 102 -6.619 -4.349 13.279 1.00 0.00 C ATOM 1628 OE1 GLU A 102 -5.712 -4.009 14.068 1.00 0.00 O ATOM 1629 OE2 GLU A 102 -7.789 -4.589 13.643 1.00 0.00 O ATOM 0 H GLU A 102 -4.144 -3.116 9.693 1.00 0.00 H new ATOM 0 HA GLU A 102 -6.890 -4.074 9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -5.574 -2.490 11.440 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -7.312 -2.669 11.305 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -6.964 -5.186 11.340 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -5.276 -4.885 11.702 1.00 0.00 H new ATOM 1636 N ALA A 103 -7.830 -1.981 8.273 1.00 0.00 N ATOM 1637 CA ALA A 103 -8.347 -0.798 7.594 1.00 0.00 C ATOM 1638 C ALA A 103 -8.203 0.443 8.469 1.00 0.00 C ATOM 1639 O ALA A 103 -7.799 1.505 7.995 1.00 0.00 O ATOM 1640 CB ALA A 103 -9.803 -1.007 7.205 1.00 0.00 C ATOM 0 H ALA A 103 -8.447 -2.792 8.237 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.760 -0.642 6.689 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -10.176 -0.116 6.699 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -9.881 -1.864 6.536 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -10.396 -1.191 8.101 1.00 0.00 H new ATOM 1646 N PHE A 104 -8.538 0.302 9.747 1.00 0.00 N ATOM 1647 CA PHE A 104 -8.449 1.413 10.687 1.00 0.00 C ATOM 1648 C PHE A 104 -7.016 1.930 10.784 1.00 0.00 C ATOM 1649 O PHE A 104 -6.737 3.082 10.453 1.00 0.00 O ATOM 1650 CB PHE A 104 -8.941 0.980 12.070 1.00 0.00 C ATOM 1651 CG PHE A 104 -9.284 2.130 12.972 1.00 0.00 C ATOM 1652 CD1 PHE A 104 -10.241 3.059 12.598 1.00 0.00 C ATOM 1653 CD2 PHE A 104 -8.648 2.284 14.194 1.00 0.00 C ATOM 1654 CE1 PHE A 104 -10.560 4.119 13.426 1.00 0.00 C ATOM 1655 CE2 PHE A 104 -8.963 3.341 15.026 1.00 0.00 C ATOM 1656 CZ PHE A 104 -9.919 4.261 14.641 1.00 0.00 C ATOM 0 H PHE A 104 -8.873 -0.570 10.155 1.00 0.00 H new ATOM 0 HA PHE A 104 -9.084 2.219 10.319 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -9.820 0.347 11.952 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -8.172 0.372 12.546 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -10.744 2.954 11.648 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -7.898 1.570 14.499 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -11.310 4.835 13.123 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -8.462 3.448 15.977 1.00 0.00 H new ATOM 0 HZ PHE A 104 -10.165 5.090 15.289 1.00 0.00 H new ATOM 1666 N ASP A 105 -6.113 1.069 11.239 1.00 0.00 N ATOM 1667 CA ASP A 105 -4.709 1.437 11.379 1.00 0.00 C ATOM 1668 C ASP A 105 -4.285 2.395 10.270 1.00 0.00 C ATOM 1669 O ASP A 105 -3.582 3.376 10.518 1.00 0.00 O ATOM 1670 CB ASP A 105 -3.827 0.187 11.355 1.00 0.00 C ATOM 1671 CG ASP A 105 -3.837 -0.554 12.677 1.00 0.00 C ATOM 1672 OD1 ASP A 105 -3.843 0.114 13.733 1.00 0.00 O ATOM 1673 OD2 ASP A 105 -3.839 -1.803 12.657 1.00 0.00 O ATOM 0 H ASP A 105 -6.328 0.111 11.517 1.00 0.00 H new ATOM 0 HA ASP A 105 -4.585 1.941 12.337 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -4.170 -0.481 10.565 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -2.804 0.472 11.110 1.00 0.00 H new ATOM 1678 N LEU A 106 -4.715 2.104 9.048 1.00 0.00 N ATOM 1679 CA LEU A 106 -4.379 2.939 7.900 1.00 0.00 C ATOM 1680 C LEU A 106 -5.115 4.273 7.963 1.00 0.00 C ATOM 1681 O LEU A 106 -4.494 5.336 8.009 1.00 0.00 O ATOM 1682 CB LEU A 106 -4.725 2.214 6.598 1.00 0.00 C ATOM 1683 CG LEU A 106 -4.378 2.953 5.305 1.00 0.00 C ATOM 1684 CD1 LEU A 106 -2.877 2.927 5.062 1.00 0.00 C ATOM 1685 CD2 LEU A 106 -5.122 2.343 4.126 1.00 0.00 C ATOM 0 H LEU A 106 -5.297 1.296 8.826 1.00 0.00 H new ATOM 0 HA LEU A 106 -3.307 3.135 7.926 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -4.210 1.253 6.593 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -5.794 2.003 6.596 1.00 0.00 H new ATOM 0 HG LEU A 106 -4.691 3.992 5.408 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -2.649 3.458 4.138 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -2.365 3.411 5.894 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -2.540 1.894 4.980 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -4.863 2.881 3.214 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -4.841 1.295 4.021 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -6.196 2.415 4.297 1.00 0.00 H new ATOM 1697 N PHE A 107 -6.443 4.211 7.967 1.00 0.00 N ATOM 1698 CA PHE A 107 -7.264 5.415 8.027 1.00 0.00 C ATOM 1699 C PHE A 107 -6.792 6.341 9.144 1.00 0.00 C ATOM 1700 O PHE A 107 -6.436 7.494 8.900 1.00 0.00 O ATOM 1701 CB PHE A 107 -8.733 5.045 8.242 1.00 0.00 C ATOM 1702 CG PHE A 107 -9.670 6.212 8.115 1.00 0.00 C ATOM 1703 CD1 PHE A 107 -9.638 7.024 6.993 1.00 0.00 C ATOM 1704 CD2 PHE A 107 -10.583 6.496 9.118 1.00 0.00 C ATOM 1705 CE1 PHE A 107 -10.499 8.099 6.874 1.00 0.00 C ATOM 1706 CE2 PHE A 107 -11.447 7.570 9.004 1.00 0.00 C ATOM 1707 CZ PHE A 107 -11.405 8.371 7.880 1.00 0.00 C ATOM 0 H PHE A 107 -6.973 3.340 7.929 1.00 0.00 H new ATOM 0 HA PHE A 107 -7.164 5.941 7.077 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -9.017 4.281 7.518 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -8.847 4.604 9.232 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -8.933 6.815 6.202 1.00 0.00 H new ATOM 0 HD2 PHE A 107 -10.620 5.872 9.999 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -10.463 8.726 5.995 1.00 0.00 H new ATOM 0 HE2 PHE A 107 -12.153 7.782 9.793 1.00 0.00 H new ATOM 0 HZ PHE A 107 -12.080 9.209 7.788 1.00 0.00 H new ATOM 1717 N ASP A 108 -6.794 5.828 10.369 1.00 0.00 N ATOM 1718 CA ASP A 108 -6.365 6.608 11.525 1.00 0.00 C ATOM 1719 C ASP A 108 -4.844 6.694 11.589 1.00 0.00 C ATOM 1720 O ASP A 108 -4.282 7.245 12.535 1.00 0.00 O ATOM 1721 CB ASP A 108 -6.908 5.989 12.814 1.00 0.00 C ATOM 1722 CG ASP A 108 -7.150 7.024 13.895 1.00 0.00 C ATOM 1723 OD1 ASP A 108 -7.444 8.187 13.548 1.00 0.00 O ATOM 1724 OD2 ASP A 108 -7.045 6.671 15.089 1.00 0.00 O ATOM 0 H ASP A 108 -7.088 4.876 10.588 1.00 0.00 H new ATOM 0 HA ASP A 108 -6.763 7.617 11.419 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -7.841 5.468 12.599 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -6.203 5.243 13.181 1.00 0.00 H new ATOM 1729 N VAL A 109 -4.182 6.144 10.576 1.00 0.00 N ATOM 1730 CA VAL A 109 -2.725 6.158 10.516 1.00 0.00 C ATOM 1731 C VAL A 109 -2.117 5.872 11.885 1.00 0.00 C ATOM 1732 O VAL A 109 -1.247 6.605 12.354 1.00 0.00 O ATOM 1733 CB VAL A 109 -2.197 7.511 10.005 1.00 0.00 C ATOM 1734 CG1 VAL A 109 -0.712 7.422 9.692 1.00 0.00 C ATOM 1735 CG2 VAL A 109 -2.982 7.961 8.782 1.00 0.00 C ATOM 0 H VAL A 109 -4.632 5.683 9.785 1.00 0.00 H new ATOM 0 HA VAL A 109 -2.429 5.375 9.818 1.00 0.00 H new ATOM 0 HB VAL A 109 -2.334 8.254 10.790 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -0.357 8.388 9.332 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -0.166 7.148 10.595 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -0.547 6.666 8.924 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -2.596 8.919 8.434 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -2.879 7.219 7.990 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -4.035 8.068 9.044 1.00 0.00 H new ATOM 1745 N ARG A 110 -2.580 4.800 12.520 1.00 0.00 N ATOM 1746 CA ARG A 110 -2.082 4.417 13.835 1.00 0.00 C ATOM 1747 C ARG A 110 -0.721 3.736 13.724 1.00 0.00 C ATOM 1748 O ARG A 110 0.271 4.218 14.271 1.00 0.00 O ATOM 1749 CB ARG A 110 -3.076 3.482 14.528 1.00 0.00 C ATOM 1750 CG ARG A 110 -4.520 3.943 14.422 1.00 0.00 C ATOM 1751 CD ARG A 110 -5.424 3.164 15.365 1.00 0.00 C ATOM 1752 NE ARG A 110 -5.029 3.327 16.761 1.00 0.00 N ATOM 1753 CZ ARG A 110 -4.140 2.549 17.368 1.00 0.00 C ATOM 1754 NH1 ARG A 110 -3.556 1.560 16.705 1.00 0.00 N ATOM 1755 NH2 ARG A 110 -3.832 2.759 18.642 1.00 0.00 N ATOM 0 H ARG A 110 -3.299 4.182 12.145 1.00 0.00 H new ATOM 0 HA ARG A 110 -1.969 5.323 14.431 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -2.989 2.486 14.094 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -2.807 3.395 15.581 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -4.581 5.006 14.653 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -4.868 3.819 13.397 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -6.454 3.498 15.238 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -5.397 2.107 15.102 1.00 0.00 H new ATOM 0 HE ARG A 110 -5.459 4.079 17.299 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -3.789 1.395 15.726 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -2.874 0.964 17.174 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -4.278 3.519 19.156 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -3.149 2.161 19.107 1.00 0.00 H new ATOM 1769 N ASP A 111 -0.682 2.615 13.013 1.00 0.00 N ATOM 1770 CA ASP A 111 0.557 1.868 12.829 1.00 0.00 C ATOM 1771 C ASP A 111 0.793 1.561 11.354 1.00 0.00 C ATOM 1772 O ASP A 111 0.412 0.499 10.862 1.00 0.00 O ATOM 1773 CB ASP A 111 0.519 0.568 13.634 1.00 0.00 C ATOM 1774 CG ASP A 111 0.585 0.811 15.129 1.00 0.00 C ATOM 1775 OD1 ASP A 111 -0.122 1.718 15.615 1.00 0.00 O ATOM 1776 OD2 ASP A 111 1.346 0.094 15.813 1.00 0.00 O ATOM 0 H ASP A 111 -1.495 2.203 12.554 1.00 0.00 H new ATOM 0 HA ASP A 111 1.380 2.485 13.189 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -0.395 0.024 13.397 1.00 0.00 H new ATOM 0 HB3 ASP A 111 1.354 -0.066 13.335 1.00 0.00 H new ATOM 1781 N PHE A 112 1.422 2.498 10.652 1.00 0.00 N ATOM 1782 CA PHE A 112 1.707 2.328 9.232 1.00 0.00 C ATOM 1783 C PHE A 112 2.677 1.172 9.007 1.00 0.00 C ATOM 1784 O PHE A 112 2.527 0.396 8.064 1.00 0.00 O ATOM 1785 CB PHE A 112 2.288 3.618 8.649 1.00 0.00 C ATOM 1786 CG PHE A 112 2.471 3.573 7.159 1.00 0.00 C ATOM 1787 CD1 PHE A 112 1.406 3.268 6.326 1.00 0.00 C ATOM 1788 CD2 PHE A 112 3.707 3.837 6.591 1.00 0.00 C ATOM 1789 CE1 PHE A 112 1.572 3.225 4.955 1.00 0.00 C ATOM 1790 CE2 PHE A 112 3.878 3.796 5.220 1.00 0.00 C ATOM 1791 CZ PHE A 112 2.809 3.490 4.401 1.00 0.00 C ATOM 0 H PHE A 112 1.744 3.383 11.044 1.00 0.00 H new ATOM 0 HA PHE A 112 0.771 2.097 8.724 1.00 0.00 H new ATOM 0 HB2 PHE A 112 1.630 4.450 8.901 1.00 0.00 H new ATOM 0 HB3 PHE A 112 3.251 3.819 9.119 1.00 0.00 H new ATOM 0 HD1 PHE A 112 0.436 3.062 6.753 1.00 0.00 H new ATOM 0 HD2 PHE A 112 4.546 4.078 7.227 1.00 0.00 H new ATOM 0 HE1 PHE A 112 0.735 2.984 4.317 1.00 0.00 H new ATOM 0 HE2 PHE A 112 4.847 4.003 4.790 1.00 0.00 H new ATOM 0 HZ PHE A 112 2.940 3.458 3.329 1.00 0.00 H new ATOM 1801 N GLY A 113 3.674 1.065 9.880 1.00 0.00 N ATOM 1802 CA GLY A 113 4.655 0.002 9.759 1.00 0.00 C ATOM 1803 C GLY A 113 4.021 -1.339 9.447 1.00 0.00 C ATOM 1804 O GLY A 113 4.611 -2.166 8.751 1.00 0.00 O ATOM 0 H GLY A 113 3.820 1.695 10.669 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.366 0.256 8.973 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.220 -0.074 10.688 1.00 0.00 H new ATOM 1808 N LYS A 114 2.817 -1.557 9.964 1.00 0.00 N ATOM 1809 CA LYS A 114 2.102 -2.807 9.738 1.00 0.00 C ATOM 1810 C LYS A 114 1.682 -2.938 8.278 1.00 0.00 C ATOM 1811 O LYS A 114 1.719 -4.028 7.706 1.00 0.00 O ATOM 1812 CB LYS A 114 0.870 -2.884 10.643 1.00 0.00 C ATOM 1813 CG LYS A 114 1.200 -3.169 12.098 1.00 0.00 C ATOM 1814 CD LYS A 114 -0.014 -3.678 12.856 1.00 0.00 C ATOM 1815 CE LYS A 114 -0.168 -5.185 12.714 1.00 0.00 C ATOM 1816 NZ LYS A 114 -1.417 -5.678 13.358 1.00 0.00 N ATOM 0 H LYS A 114 2.315 -0.883 10.543 1.00 0.00 H new ATOM 0 HA LYS A 114 2.775 -3.630 9.979 1.00 0.00 H new ATOM 0 HB2 LYS A 114 0.325 -1.942 10.581 1.00 0.00 H new ATOM 0 HB3 LYS A 114 0.205 -3.663 10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 114 2.000 -3.907 12.153 1.00 0.00 H new ATOM 0 HG3 LYS A 114 1.572 -2.261 12.572 1.00 0.00 H new ATOM 0 HD2 LYS A 114 0.079 -3.418 13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -0.911 -3.183 12.484 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -0.175 -5.451 11.657 1.00 0.00 H new ATOM 0 HE3 LYS A 114 0.692 -5.682 13.162 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -1.485 -6.709 13.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -1.400 -5.446 14.372 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -2.240 -5.223 12.913 1.00 0.00 H new ATOM 1830 N VAL A 115 1.285 -1.820 7.678 1.00 0.00 N ATOM 1831 CA VAL A 115 0.861 -1.810 6.283 1.00 0.00 C ATOM 1832 C VAL A 115 2.038 -2.067 5.349 1.00 0.00 C ATOM 1833 O VAL A 115 1.907 -2.775 4.350 1.00 0.00 O ATOM 1834 CB VAL A 115 0.204 -0.468 5.906 1.00 0.00 C ATOM 1835 CG1 VAL A 115 -0.326 -0.515 4.481 1.00 0.00 C ATOM 1836 CG2 VAL A 115 -0.908 -0.126 6.887 1.00 0.00 C ATOM 0 H VAL A 115 1.248 -0.910 8.136 1.00 0.00 H new ATOM 0 HA VAL A 115 0.129 -2.610 6.169 1.00 0.00 H new ATOM 0 HB VAL A 115 0.960 0.316 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 115 -0.786 0.441 4.232 1.00 0.00 H new ATOM 0 HG12 VAL A 115 0.496 -0.711 3.793 1.00 0.00 H new ATOM 0 HG13 VAL A 115 -1.068 -1.308 4.395 1.00 0.00 H new ATOM 0 HG21 VAL A 115 -1.361 0.825 6.606 1.00 0.00 H new ATOM 0 HG22 VAL A 115 -1.665 -0.909 6.866 1.00 0.00 H new ATOM 0 HG23 VAL A 115 -0.495 -0.048 7.893 1.00 0.00 H new ATOM 1846 N ILE A 116 3.187 -1.488 5.682 1.00 0.00 N ATOM 1847 CA ILE A 116 4.388 -1.656 4.873 1.00 0.00 C ATOM 1848 C ILE A 116 4.778 -3.126 4.767 1.00 0.00 C ATOM 1849 O ILE A 116 5.014 -3.639 3.674 1.00 0.00 O ATOM 1850 CB ILE A 116 5.573 -0.863 5.454 1.00 0.00 C ATOM 1851 CG1 ILE A 116 5.193 0.609 5.630 1.00 0.00 C ATOM 1852 CG2 ILE A 116 6.792 -0.996 4.553 1.00 0.00 C ATOM 1853 CD1 ILE A 116 6.310 1.459 6.193 1.00 0.00 C ATOM 0 H ILE A 116 3.311 -0.899 6.505 1.00 0.00 H new ATOM 0 HA ILE A 116 4.156 -1.272 3.880 1.00 0.00 H new ATOM 0 HB ILE A 116 5.821 -1.274 6.432 1.00 0.00 H new ATOM 0 HG12 ILE A 116 4.889 1.015 4.665 1.00 0.00 H new ATOM 0 HG13 ILE A 116 4.328 0.676 6.290 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.621 -0.430 4.977 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.073 -2.046 4.473 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.556 -0.607 3.562 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.969 2.490 6.290 1.00 0.00 H new ATOM 0 HD12 ILE A 116 6.599 1.078 7.173 1.00 0.00 H new ATOM 0 HD13 ILE A 116 7.168 1.423 5.522 1.00 0.00 H new ATOM 1865 N GLU A 117 4.842 -3.800 5.912 1.00 0.00 N ATOM 1866 CA GLU A 117 5.203 -5.212 5.947 1.00 0.00 C ATOM 1867 C GLU A 117 4.329 -6.021 4.992 1.00 0.00 C ATOM 1868 O GLU A 117 4.828 -6.834 4.213 1.00 0.00 O ATOM 1869 CB GLU A 117 5.067 -5.761 7.369 1.00 0.00 C ATOM 1870 CG GLU A 117 5.691 -7.134 7.554 1.00 0.00 C ATOM 1871 CD GLU A 117 5.391 -7.733 8.915 1.00 0.00 C ATOM 1872 OE1 GLU A 117 4.206 -7.747 9.309 1.00 0.00 O ATOM 1873 OE2 GLU A 117 6.341 -8.187 9.585 1.00 0.00 O ATOM 0 H GLU A 117 4.649 -3.391 6.826 1.00 0.00 H new ATOM 0 HA GLU A 117 6.241 -5.303 5.628 1.00 0.00 H new ATOM 0 HB2 GLU A 117 5.532 -5.063 8.065 1.00 0.00 H new ATOM 0 HB3 GLU A 117 4.010 -5.814 7.630 1.00 0.00 H new ATOM 0 HG2 GLU A 117 5.323 -7.804 6.777 1.00 0.00 H new ATOM 0 HG3 GLU A 117 6.771 -7.059 7.424 1.00 0.00 H new ATOM 1880 N THR A 118 3.021 -5.793 5.059 1.00 0.00 N ATOM 1881 CA THR A 118 2.077 -6.500 4.204 1.00 0.00 C ATOM 1882 C THR A 118 2.597 -6.597 2.774 1.00 0.00 C ATOM 1883 O THR A 118 2.471 -7.637 2.126 1.00 0.00 O ATOM 1884 CB THR A 118 0.702 -5.807 4.191 1.00 0.00 C ATOM 1885 OG1 THR A 118 0.144 -5.802 5.510 1.00 0.00 O ATOM 1886 CG2 THR A 118 -0.250 -6.510 3.236 1.00 0.00 C ATOM 0 H THR A 118 2.592 -5.123 5.697 1.00 0.00 H new ATOM 0 HA THR A 118 1.966 -7.503 4.617 1.00 0.00 H new ATOM 0 HB THR A 118 0.841 -4.781 3.851 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.636 -5.166 6.071 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.214 -6.002 3.244 1.00 0.00 H new ATOM 0 HG22 THR A 118 0.163 -6.487 2.228 1.00 0.00 H new ATOM 0 HG23 THR A 118 -0.382 -7.545 3.551 1.00 0.00 H new ATOM 1894 N LEU A 119 3.183 -5.509 2.287 1.00 0.00 N ATOM 1895 CA LEU A 119 3.724 -5.472 0.933 1.00 0.00 C ATOM 1896 C LEU A 119 5.011 -6.284 0.838 1.00 0.00 C ATOM 1897 O LEU A 119 5.231 -7.006 -0.134 1.00 0.00 O ATOM 1898 CB LEU A 119 3.987 -4.026 0.507 1.00 0.00 C ATOM 1899 CG LEU A 119 2.904 -3.011 0.874 1.00 0.00 C ATOM 1900 CD1 LEU A 119 3.398 -1.593 0.632 1.00 0.00 C ATOM 1901 CD2 LEU A 119 1.633 -3.277 0.080 1.00 0.00 C ATOM 0 H LEU A 119 3.296 -4.640 2.810 1.00 0.00 H new ATOM 0 HA LEU A 119 2.987 -5.914 0.262 1.00 0.00 H new ATOM 0 HB2 LEU A 119 4.927 -3.702 0.954 1.00 0.00 H new ATOM 0 HB3 LEU A 119 4.124 -4.006 -0.574 1.00 0.00 H new ATOM 0 HG LEU A 119 2.676 -3.119 1.934 1.00 0.00 H new ATOM 0 HD11 LEU A 119 2.614 -0.884 0.899 1.00 0.00 H new ATOM 0 HD12 LEU A 119 4.280 -1.406 1.244 1.00 0.00 H new ATOM 0 HD13 LEU A 119 3.654 -1.472 -0.420 1.00 0.00 H new ATOM 0 HD21 LEU A 119 0.873 -2.545 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 119 1.846 -3.197 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 119 1.268 -4.280 0.303 1.00 0.00 H new ATOM 1913 N SER A 120 5.858 -6.163 1.855 1.00 0.00 N ATOM 1914 CA SER A 120 7.124 -6.885 1.886 1.00 0.00 C ATOM 1915 C SER A 120 6.914 -8.364 1.576 1.00 0.00 C ATOM 1916 O SER A 120 7.722 -8.985 0.885 1.00 0.00 O ATOM 1917 CB SER A 120 7.791 -6.730 3.254 1.00 0.00 C ATOM 1918 OG SER A 120 8.205 -5.392 3.471 1.00 0.00 O ATOM 0 H SER A 120 5.690 -5.571 2.669 1.00 0.00 H new ATOM 0 HA SER A 120 7.774 -6.460 1.122 1.00 0.00 H new ATOM 0 HB2 SER A 120 7.095 -7.030 4.037 1.00 0.00 H new ATOM 0 HB3 SER A 120 8.652 -7.396 3.320 1.00 0.00 H new ATOM 0 HG SER A 120 8.627 -5.319 4.353 1.00 0.00 H new ATOM 1924 N ARG A 121 5.823 -8.921 2.091 1.00 0.00 N ATOM 1925 CA ARG A 121 5.506 -10.327 1.870 1.00 0.00 C ATOM 1926 C ARG A 121 4.831 -10.526 0.516 1.00 0.00 C ATOM 1927 O ARG A 121 5.192 -11.426 -0.243 1.00 0.00 O ATOM 1928 CB ARG A 121 4.599 -10.848 2.986 1.00 0.00 C ATOM 1929 CG ARG A 121 5.263 -10.865 4.353 1.00 0.00 C ATOM 1930 CD ARG A 121 4.436 -11.644 5.365 1.00 0.00 C ATOM 1931 NE ARG A 121 5.271 -12.269 6.387 1.00 0.00 N ATOM 1932 CZ ARG A 121 5.818 -11.603 7.398 1.00 0.00 C ATOM 1933 NH1 ARG A 121 5.619 -10.298 7.521 1.00 0.00 N ATOM 1934 NH2 ARG A 121 6.565 -12.243 8.289 1.00 0.00 N ATOM 0 H ARG A 121 5.144 -8.420 2.664 1.00 0.00 H new ATOM 0 HA ARG A 121 6.439 -10.890 1.877 1.00 0.00 H new ATOM 0 HB2 ARG A 121 3.704 -10.228 3.034 1.00 0.00 H new ATOM 0 HB3 ARG A 121 4.274 -11.858 2.737 1.00 0.00 H new ATOM 0 HG2 ARG A 121 6.254 -11.311 4.272 1.00 0.00 H new ATOM 0 HG3 ARG A 121 5.401 -9.842 4.704 1.00 0.00 H new ATOM 0 HD2 ARG A 121 3.720 -10.974 5.841 1.00 0.00 H new ATOM 0 HD3 ARG A 121 3.859 -12.411 4.849 1.00 0.00 H new ATOM 0 HE ARG A 121 5.444 -13.272 6.321 1.00 0.00 H new ATOM 0 HH11 ARG A 121 5.045 -9.803 6.839 1.00 0.00 H new ATOM 0 HH12 ARG A 121 6.040 -9.789 8.298 1.00 0.00 H new ATOM 0 HH21 ARG A 121 6.720 -13.247 8.198 1.00 0.00 H new ATOM 0 HH22 ARG A 121 6.985 -11.731 9.065 1.00 0.00 H new ATOM 1948 N LEU A 122 3.849 -9.681 0.221 1.00 0.00 N ATOM 1949 CA LEU A 122 3.122 -9.764 -1.041 1.00 0.00 C ATOM 1950 C LEU A 122 4.083 -9.950 -2.211 1.00 0.00 C ATOM 1951 O LEU A 122 3.854 -10.783 -3.089 1.00 0.00 O ATOM 1952 CB LEU A 122 2.282 -8.504 -1.252 1.00 0.00 C ATOM 1953 CG LEU A 122 1.702 -8.310 -2.654 1.00 0.00 C ATOM 1954 CD1 LEU A 122 0.715 -9.420 -2.981 1.00 0.00 C ATOM 1955 CD2 LEU A 122 1.034 -6.948 -2.772 1.00 0.00 C ATOM 0 H LEU A 122 3.538 -8.931 0.838 1.00 0.00 H new ATOM 0 HA LEU A 122 2.462 -10.630 -0.996 1.00 0.00 H new ATOM 0 HB2 LEU A 122 1.458 -8.517 -0.538 1.00 0.00 H new ATOM 0 HB3 LEU A 122 2.897 -7.637 -1.012 1.00 0.00 H new ATOM 0 HG LEU A 122 2.519 -8.354 -3.374 1.00 0.00 H new ATOM 0 HD11 LEU A 122 0.312 -9.266 -3.982 1.00 0.00 H new ATOM 0 HD12 LEU A 122 1.224 -10.383 -2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -0.099 -9.408 -2.257 1.00 0.00 H new ATOM 0 HD21 LEU A 122 0.627 -6.828 -3.776 1.00 0.00 H new ATOM 0 HD22 LEU A 122 0.227 -6.874 -2.043 1.00 0.00 H new ATOM 0 HD23 LEU A 122 1.768 -6.165 -2.582 1.00 0.00 H new ATOM 1967 N SER A 123 5.160 -9.171 -2.216 1.00 0.00 N ATOM 1968 CA SER A 123 6.155 -9.249 -3.279 1.00 0.00 C ATOM 1969 C SER A 123 6.517 -10.700 -3.579 1.00 0.00 C ATOM 1970 O SER A 123 6.783 -11.061 -4.726 1.00 0.00 O ATOM 1971 CB SER A 123 7.411 -8.468 -2.889 1.00 0.00 C ATOM 1972 OG SER A 123 8.072 -9.080 -1.795 1.00 0.00 O ATOM 0 H SER A 123 5.366 -8.479 -1.496 1.00 0.00 H new ATOM 0 HA SER A 123 5.726 -8.807 -4.178 1.00 0.00 H new ATOM 0 HB2 SER A 123 8.088 -8.412 -3.742 1.00 0.00 H new ATOM 0 HB3 SER A 123 7.141 -7.445 -2.629 1.00 0.00 H new ATOM 0 HG SER A 123 7.650 -8.796 -0.957 1.00 0.00 H new ATOM 1978 N ARG A 124 6.524 -11.529 -2.540 1.00 0.00 N ATOM 1979 CA ARG A 124 6.855 -12.941 -2.691 1.00 0.00 C ATOM 1980 C ARG A 124 6.007 -13.584 -3.784 1.00 0.00 C ATOM 1981 O ARG A 124 6.503 -14.378 -4.584 1.00 0.00 O ATOM 1982 CB ARG A 124 6.646 -13.679 -1.367 1.00 0.00 C ATOM 1983 CG ARG A 124 7.666 -13.317 -0.300 1.00 0.00 C ATOM 1984 CD ARG A 124 7.750 -14.389 0.776 1.00 0.00 C ATOM 1985 NE ARG A 124 8.390 -15.607 0.287 1.00 0.00 N ATOM 1986 CZ ARG A 124 8.346 -16.769 0.930 1.00 0.00 C ATOM 1987 NH1 ARG A 124 7.695 -16.869 2.081 1.00 0.00 N ATOM 1988 NH2 ARG A 124 8.953 -17.833 0.421 1.00 0.00 N ATOM 0 H ARG A 124 6.304 -11.247 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 124 7.904 -13.015 -2.979 1.00 0.00 H new ATOM 0 HB2 ARG A 124 5.647 -13.459 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 124 6.689 -14.753 -1.549 1.00 0.00 H new ATOM 0 HG2 ARG A 124 8.645 -13.185 -0.761 1.00 0.00 H new ATOM 0 HG3 ARG A 124 7.396 -12.364 0.155 1.00 0.00 H new ATOM 0 HD2 ARG A 124 8.309 -14.003 1.629 1.00 0.00 H new ATOM 0 HD3 ARG A 124 6.747 -14.624 1.132 1.00 0.00 H new ATOM 0 HE ARG A 124 8.898 -15.563 -0.596 1.00 0.00 H new ATOM 0 HH11 ARG A 124 7.227 -16.053 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 124 7.663 -17.762 2.573 1.00 0.00 H new ATOM 0 HH21 ARG A 124 9.454 -17.759 -0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 124 8.919 -18.725 0.915 1.00 0.00 H new ATOM 2002 N THR A 125 4.724 -13.236 -3.812 1.00 0.00 N ATOM 2003 CA THR A 125 3.806 -13.780 -4.805 1.00 0.00 C ATOM 2004 C THR A 125 4.476 -13.892 -6.170 1.00 0.00 C ATOM 2005 O THR A 125 5.344 -13.096 -6.530 1.00 0.00 O ATOM 2006 CB THR A 125 2.541 -12.911 -4.937 1.00 0.00 C ATOM 2007 OG1 THR A 125 2.902 -11.571 -5.291 1.00 0.00 O ATOM 2008 CG2 THR A 125 1.753 -12.902 -3.636 1.00 0.00 C ATOM 0 H THR A 125 4.297 -12.580 -3.158 1.00 0.00 H new ATOM 0 HA THR A 125 3.521 -14.774 -4.460 1.00 0.00 H new ATOM 0 HB THR A 125 1.914 -13.337 -5.720 1.00 0.00 H new ATOM 0 HG1 THR A 125 3.503 -11.203 -4.610 1.00 0.00 H new ATOM 0 HG21 THR A 125 0.864 -12.282 -3.753 1.00 0.00 H new ATOM 0 HG22 THR A 125 1.455 -13.920 -3.384 1.00 0.00 H new ATOM 0 HG23 THR A 125 2.375 -12.498 -2.837 1.00 0.00 H new ATOM 2016 N PRO A 126 4.066 -14.903 -6.951 1.00 0.00 N ATOM 2017 CA PRO A 126 4.613 -15.142 -8.289 1.00 0.00 C ATOM 2018 C PRO A 126 4.191 -14.070 -9.288 1.00 0.00 C ATOM 2019 O PRO A 126 4.573 -14.114 -10.458 1.00 0.00 O ATOM 2020 CB PRO A 126 4.019 -16.498 -8.678 1.00 0.00 C ATOM 2021 CG PRO A 126 2.765 -16.605 -7.881 1.00 0.00 C ATOM 2022 CD PRO A 126 3.035 -15.890 -6.586 1.00 0.00 C ATOM 0 HA PRO A 126 5.703 -15.121 -8.293 1.00 0.00 H new ATOM 0 HB2 PRO A 126 3.814 -16.548 -9.747 1.00 0.00 H new ATOM 0 HB3 PRO A 126 4.706 -17.312 -8.447 1.00 0.00 H new ATOM 0 HG2 PRO A 126 1.927 -16.151 -8.410 1.00 0.00 H new ATOM 0 HG3 PRO A 126 2.503 -17.648 -7.704 1.00 0.00 H new ATOM 0 HD2 PRO A 126 2.137 -15.409 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 126 3.389 -16.574 -5.815 1.00 0.00 H new ATOM 2030 N ILE A 127 3.403 -13.108 -8.819 1.00 0.00 N ATOM 2031 CA ILE A 127 2.931 -12.024 -9.672 1.00 0.00 C ATOM 2032 C ILE A 127 3.837 -10.803 -9.560 1.00 0.00 C ATOM 2033 O ILE A 127 4.137 -10.147 -10.556 1.00 0.00 O ATOM 2034 CB ILE A 127 1.490 -11.615 -9.316 1.00 0.00 C ATOM 2035 CG1 ILE A 127 0.526 -12.771 -9.589 1.00 0.00 C ATOM 2036 CG2 ILE A 127 1.080 -10.380 -10.104 1.00 0.00 C ATOM 2037 CD1 ILE A 127 0.333 -13.690 -8.403 1.00 0.00 C ATOM 0 H ILE A 127 3.078 -13.057 -7.853 1.00 0.00 H new ATOM 0 HA ILE A 127 2.952 -12.396 -10.696 1.00 0.00 H new ATOM 0 HB ILE A 127 1.448 -11.375 -8.254 1.00 0.00 H new ATOM 0 HG12 ILE A 127 -0.441 -12.365 -9.885 1.00 0.00 H new ATOM 0 HG13 ILE A 127 0.899 -13.353 -10.432 1.00 0.00 H new ATOM 0 HG21 ILE A 127 0.059 -10.103 -9.841 1.00 0.00 H new ATOM 0 HG22 ILE A 127 1.752 -9.556 -9.865 1.00 0.00 H new ATOM 0 HG23 ILE A 127 1.135 -10.595 -11.171 1.00 0.00 H new ATOM 0 HD11 ILE A 127 -0.363 -14.486 -8.669 1.00 0.00 H new ATOM 0 HD12 ILE A 127 1.291 -14.125 -8.120 1.00 0.00 H new ATOM 0 HD13 ILE A 127 -0.069 -13.122 -7.564 1.00 0.00 H new ATOM 2049 N ALA A 128 4.270 -10.504 -8.339 1.00 0.00 N ATOM 2050 CA ALA A 128 5.145 -9.364 -8.097 1.00 0.00 C ATOM 2051 C ALA A 128 6.537 -9.608 -8.671 1.00 0.00 C ATOM 2052 O ALA A 128 7.137 -8.717 -9.273 1.00 0.00 O ATOM 2053 CB ALA A 128 5.231 -9.072 -6.606 1.00 0.00 C ATOM 0 H ALA A 128 4.029 -11.036 -7.503 1.00 0.00 H new ATOM 0 HA ALA A 128 4.719 -8.497 -8.602 1.00 0.00 H new ATOM 0 HB1 ALA A 128 5.888 -8.218 -6.440 1.00 0.00 H new ATOM 0 HB2 ALA A 128 4.237 -8.845 -6.222 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.630 -9.943 -6.087 1.00 0.00 H new ATOM 2059 N LEU A 129 7.046 -10.820 -8.480 1.00 0.00 N ATOM 2060 CA LEU A 129 8.369 -11.182 -8.978 1.00 0.00 C ATOM 2061 C LEU A 129 8.365 -11.296 -10.499 1.00 0.00 C ATOM 2062 O LEU A 129 9.324 -10.904 -11.163 1.00 0.00 O ATOM 2063 CB LEU A 129 8.825 -12.503 -8.357 1.00 0.00 C ATOM 2064 CG LEU A 129 8.801 -12.571 -6.830 1.00 0.00 C ATOM 2065 CD1 LEU A 129 9.112 -13.981 -6.353 1.00 0.00 C ATOM 2066 CD2 LEU A 129 9.786 -11.575 -6.235 1.00 0.00 C ATOM 0 H LEU A 129 6.563 -11.569 -7.984 1.00 0.00 H new ATOM 0 HA LEU A 129 9.066 -10.394 -8.693 1.00 0.00 H new ATOM 0 HB2 LEU A 129 8.193 -13.301 -8.746 1.00 0.00 H new ATOM 0 HB3 LEU A 129 9.841 -12.708 -8.694 1.00 0.00 H new ATOM 0 HG LEU A 129 7.799 -12.307 -6.490 1.00 0.00 H new ATOM 0 HD11 LEU A 129 9.090 -14.010 -5.264 1.00 0.00 H new ATOM 0 HD12 LEU A 129 8.367 -14.672 -6.749 1.00 0.00 H new ATOM 0 HD13 LEU A 129 10.101 -14.274 -6.704 1.00 0.00 H new ATOM 0 HD21 LEU A 129 9.755 -11.638 -5.147 1.00 0.00 H new ATOM 0 HD22 LEU A 129 10.793 -11.807 -6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 129 9.517 -10.566 -6.548 1.00 0.00 H new ATOM 2078 N ALA A 130 7.279 -11.833 -11.044 1.00 0.00 N ATOM 2079 CA ALA A 130 7.148 -11.994 -12.487 1.00 0.00 C ATOM 2080 C ALA A 130 7.631 -10.750 -13.225 1.00 0.00 C ATOM 2081 O ALA A 130 8.360 -10.844 -14.213 1.00 0.00 O ATOM 2082 CB ALA A 130 5.704 -12.301 -12.856 1.00 0.00 C ATOM 0 H ALA A 130 6.477 -12.164 -10.508 1.00 0.00 H new ATOM 0 HA ALA A 130 7.775 -12.832 -12.792 1.00 0.00 H new ATOM 0 HB1 ALA A 130 5.622 -12.419 -13.937 1.00 0.00 H new ATOM 0 HB2 ALA A 130 5.391 -13.223 -12.366 1.00 0.00 H new ATOM 0 HB3 ALA A 130 5.063 -11.482 -12.530 1.00 0.00 H new ATOM 2088 N THR A 131 7.221 -9.582 -12.738 1.00 0.00 N ATOM 2089 CA THR A 131 7.610 -8.319 -13.352 1.00 0.00 C ATOM 2090 C THR A 131 9.122 -8.131 -13.312 1.00 0.00 C ATOM 2091 O THR A 131 9.718 -7.608 -14.252 1.00 0.00 O ATOM 2092 CB THR A 131 6.937 -7.123 -12.653 1.00 0.00 C ATOM 2093 OG1 THR A 131 7.459 -6.973 -11.328 1.00 0.00 O ATOM 2094 CG2 THR A 131 5.428 -7.313 -12.590 1.00 0.00 C ATOM 0 H THR A 131 6.619 -9.485 -11.920 1.00 0.00 H new ATOM 0 HA THR A 131 7.278 -8.357 -14.390 1.00 0.00 H new ATOM 0 HB THR A 131 7.151 -6.224 -13.231 1.00 0.00 H new ATOM 0 HG1 THR A 131 7.209 -7.751 -10.788 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.974 -6.456 -12.092 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.030 -7.399 -13.601 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.199 -8.221 -12.032 1.00 0.00 H new ATOM 2102 N GLY A 132 9.739 -8.562 -12.215 1.00 0.00 N ATOM 2103 CA GLY A 132 11.177 -8.433 -12.074 1.00 0.00 C ATOM 2104 C GLY A 132 11.574 -7.187 -11.306 1.00 0.00 C ATOM 2105 O GLY A 132 12.673 -6.662 -11.488 1.00 0.00 O ATOM 0 H GLY A 132 9.268 -8.998 -11.422 1.00 0.00 H new ATOM 0 HA2 GLY A 132 11.569 -9.312 -11.563 1.00 0.00 H new ATOM 0 HA3 GLY A 132 11.635 -8.408 -13.063 1.00 0.00 H new ATOM 2109 N ILE A 133 10.678 -6.713 -10.447 1.00 0.00 N ATOM 2110 CA ILE A 133 10.941 -5.521 -9.650 1.00 0.00 C ATOM 2111 C ILE A 133 11.703 -5.869 -8.376 1.00 0.00 C ATOM 2112 O ILE A 133 11.405 -6.864 -7.715 1.00 0.00 O ATOM 2113 CB ILE A 133 9.635 -4.797 -9.273 1.00 0.00 C ATOM 2114 CG1 ILE A 133 8.897 -4.341 -10.533 1.00 0.00 C ATOM 2115 CG2 ILE A 133 9.931 -3.610 -8.367 1.00 0.00 C ATOM 2116 CD1 ILE A 133 7.426 -4.071 -10.308 1.00 0.00 C ATOM 0 H ILE A 133 9.764 -7.136 -10.285 1.00 0.00 H new ATOM 0 HA ILE A 133 11.550 -4.858 -10.265 1.00 0.00 H new ATOM 0 HB ILE A 133 8.994 -5.493 -8.731 1.00 0.00 H new ATOM 0 HG12 ILE A 133 9.370 -3.436 -10.914 1.00 0.00 H new ATOM 0 HG13 ILE A 133 9.004 -5.105 -11.303 1.00 0.00 H new ATOM 0 HG21 ILE A 133 8.999 -3.108 -8.109 1.00 0.00 H new ATOM 0 HG22 ILE A 133 10.419 -3.960 -7.457 1.00 0.00 H new ATOM 0 HG23 ILE A 133 10.588 -2.911 -8.885 1.00 0.00 H new ATOM 0 HD11 ILE A 133 6.967 -3.752 -11.244 1.00 0.00 H new ATOM 0 HD12 ILE A 133 6.939 -4.981 -9.957 1.00 0.00 H new ATOM 0 HD13 ILE A 133 7.310 -3.286 -9.561 1.00 0.00 H new ATOM 2128 N ARG A 134 12.686 -5.042 -8.036 1.00 0.00 N ATOM 2129 CA ARG A 134 13.490 -5.262 -6.839 1.00 0.00 C ATOM 2130 C ARG A 134 12.657 -5.909 -5.736 1.00 0.00 C ATOM 2131 O ARG A 134 11.949 -5.239 -4.985 1.00 0.00 O ATOM 2132 CB ARG A 134 14.074 -3.939 -6.342 1.00 0.00 C ATOM 2133 CG ARG A 134 15.225 -3.424 -7.190 1.00 0.00 C ATOM 2134 CD ARG A 134 15.552 -1.974 -6.866 1.00 0.00 C ATOM 2135 NE ARG A 134 16.227 -1.840 -5.578 1.00 0.00 N ATOM 2136 CZ ARG A 134 17.529 -2.038 -5.407 1.00 0.00 C ATOM 2137 NH1 ARG A 134 18.293 -2.376 -6.437 1.00 0.00 N ATOM 2138 NH2 ARG A 134 18.070 -1.897 -4.204 1.00 0.00 N ATOM 0 H ARG A 134 12.945 -4.214 -8.572 1.00 0.00 H new ATOM 0 HA ARG A 134 14.306 -5.937 -7.098 1.00 0.00 H new ATOM 0 HB2 ARG A 134 13.284 -3.188 -6.322 1.00 0.00 H new ATOM 0 HB3 ARG A 134 14.419 -4.067 -5.316 1.00 0.00 H new ATOM 0 HG2 ARG A 134 16.107 -4.043 -7.023 1.00 0.00 H new ATOM 0 HG3 ARG A 134 14.969 -3.513 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 134 16.185 -1.561 -7.652 1.00 0.00 H new ATOM 0 HD3 ARG A 134 14.633 -1.389 -6.856 1.00 0.00 H new ATOM 0 HE ARG A 134 15.668 -1.580 -4.765 1.00 0.00 H new ATOM 0 HH11 ARG A 134 17.881 -2.485 -7.364 1.00 0.00 H new ATOM 0 HH12 ARG A 134 19.293 -2.527 -6.302 1.00 0.00 H new ATOM 0 HH21 ARG A 134 17.486 -1.636 -3.409 1.00 0.00 H new ATOM 0 HH22 ARG A 134 19.070 -2.049 -4.074 1.00 0.00 H new ATOM 2152 N PRO A 135 12.743 -7.244 -5.636 1.00 0.00 N ATOM 2153 CA PRO A 135 12.005 -8.011 -4.629 1.00 0.00 C ATOM 2154 C PRO A 135 12.533 -7.774 -3.218 1.00 0.00 C ATOM 2155 O PRO A 135 13.738 -7.631 -3.011 1.00 0.00 O ATOM 2156 CB PRO A 135 12.239 -9.465 -5.049 1.00 0.00 C ATOM 2157 CG PRO A 135 13.523 -9.440 -5.804 1.00 0.00 C ATOM 2158 CD PRO A 135 13.568 -8.107 -6.499 1.00 0.00 C ATOM 0 HA PRO A 135 10.953 -7.727 -4.591 1.00 0.00 H new ATOM 0 HB2 PRO A 135 12.303 -10.122 -4.182 1.00 0.00 H new ATOM 0 HB3 PRO A 135 11.422 -9.834 -5.669 1.00 0.00 H new ATOM 0 HG2 PRO A 135 14.373 -9.559 -5.132 1.00 0.00 H new ATOM 0 HG3 PRO A 135 13.569 -10.257 -6.524 1.00 0.00 H new ATOM 0 HD2 PRO A 135 14.588 -7.733 -6.584 1.00 0.00 H new ATOM 0 HD3 PRO A 135 13.165 -8.167 -7.510 1.00 0.00 H new