USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 805 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 35 HIS : no HE2:sc= -4.85! C(o=-5.6!,f=-8.3!) USER MOD Set 1.2: A 39 THR OG1 : rot -80:sc= -0.733 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -33:sc= 1.31 USER MOD Single : A 16 TYR OH : rot 150:sc= -0.0034 USER MOD Single : A 22 ASN : amide:sc= -1.11! C(o=-1.1!,f=-0.94!) USER MOD Single : A 23 MET CE :methyl 145:sc= -4.6! (180deg=-7.08!) USER MOD Single : A 26 GLN : amide:sc= -0.0346 X(o=-0.035,f=0) USER MOD Single : A 27 GLN : amide:sc=-0.00362 K(o=-0.0036,f=-2.2!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -1.06 USER MOD Single : A 30 ASN : amide:sc= -1.01 K(o=-1,f=-2.6!) USER MOD Single : A 33 LYS NZ :NH3+ -160:sc= -0.0467 (180deg=-0.342) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= -0.86 USER MOD Single : A 40 TYR OH : rot 148:sc= 1.44 USER MOD Single : A 55 SER OG : rot -154:sc= -2.27 USER MOD Single : A 57 LYS NZ :NH3+ 163:sc= -4.38! (180deg=-4.64!) USER MOD Single : A 59 ASN : amide:sc= 0 X(o=0,f=0.096) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 HIS : no HD1:sc=-0.00268 K(o=-0.0027,f=-2.1!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ -119:sc= -0.119 (180deg=-1.28) USER MOD Single : A 72 ASN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 75 HIS : no HD1:sc= -1.8 X(o=-1.8,f=-1.7) USER MOD Single : A 77 THR OG1 : rot -48:sc= 0.555 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00728) USER MOD Single : A 84 SER OG : rot 19:sc= 1.16 USER MOD Single : A 91 TYR OH : rot -157:sc= 1.21 USER MOD Single : A 92 TYR OH : rot 150:sc= -1.08 USER MOD Single : A 93 GLN : amide:sc= -3.39! C(o=-3.4!,f=-3.8!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.43! C(o=-5.4!,f=-17!) USER MOD Single : A 96 SER OG : rot 140:sc= -0.637 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot -114:sc= 2.11 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 GLN : amide:sc= 0 K(o=0,f=-1) USER MOD Single : A 106 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 107 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 116 N ILE A 11 2.278 -11.333 -8.720 1.00 0.00 N ATOM 117 CA ILE A 11 2.477 -10.004 -9.285 1.00 0.00 C ATOM 118 C ILE A 11 3.754 -9.366 -8.752 1.00 0.00 C ATOM 119 O ILE A 11 4.151 -9.604 -7.611 1.00 0.00 O ATOM 120 CB ILE A 11 1.285 -9.077 -8.976 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.013 -9.683 -9.512 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.519 -7.698 -9.574 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.258 -9.073 -8.909 1.00 0.00 C ATOM 0 HA ILE A 11 2.560 -10.129 -10.365 1.00 0.00 H new ATOM 0 HB ILE A 11 1.195 -8.973 -7.895 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.044 -9.557 -10.594 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.012 -10.755 -9.316 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.669 -7.054 -9.348 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.425 -7.266 -9.149 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.631 -7.784 -10.655 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.140 -9.551 -9.335 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.250 -9.222 -7.829 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.282 -8.005 -9.127 1.00 0.00 H new ATOM 135 N ASP A 12 4.394 -8.551 -9.584 1.00 0.00 N ATOM 136 CA ASP A 12 5.627 -7.876 -9.195 1.00 0.00 C ATOM 137 C ASP A 12 5.344 -6.443 -8.754 1.00 0.00 C ATOM 138 O ASP A 12 5.388 -5.514 -9.561 1.00 0.00 O ATOM 139 CB ASP A 12 6.622 -7.878 -10.357 1.00 0.00 C ATOM 140 CG ASP A 12 7.998 -7.396 -9.941 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.306 -7.456 -8.732 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.766 -6.960 -10.823 1.00 0.00 O ATOM 0 H ASP A 12 4.079 -8.342 -10.532 1.00 0.00 H new ATOM 0 HA ASP A 12 6.061 -8.418 -8.354 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.701 -8.887 -10.763 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.244 -7.241 -11.157 1.00 0.00 H new ATOM 147 N TYR A 13 5.055 -6.272 -7.469 1.00 0.00 N ATOM 148 CA TYR A 13 4.763 -4.954 -6.920 1.00 0.00 C ATOM 149 C TYR A 13 6.031 -4.111 -6.818 1.00 0.00 C ATOM 150 O TYR A 13 5.971 -2.885 -6.721 1.00 0.00 O ATOM 151 CB TYR A 13 4.113 -5.084 -5.542 1.00 0.00 C ATOM 152 CG TYR A 13 3.035 -6.142 -5.478 1.00 0.00 C ATOM 153 CD1 TYR A 13 1.968 -6.130 -6.369 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.082 -7.155 -4.529 1.00 0.00 C ATOM 155 CE1 TYR A 13 0.981 -7.094 -6.315 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.099 -8.124 -4.468 1.00 0.00 C ATOM 157 CZ TYR A 13 1.051 -8.089 -5.363 1.00 0.00 C ATOM 158 OH TYR A 13 0.069 -9.051 -5.305 1.00 0.00 O ATOM 0 H TYR A 13 5.017 -7.030 -6.788 1.00 0.00 H new ATOM 0 HA TYR A 13 4.070 -4.454 -7.596 1.00 0.00 H new ATOM 0 HB2 TYR A 13 4.883 -5.317 -4.807 1.00 0.00 H new ATOM 0 HB3 TYR A 13 3.684 -4.123 -5.260 1.00 0.00 H new ATOM 0 HD1 TYR A 13 1.910 -5.353 -7.117 1.00 0.00 H new ATOM 0 HD2 TYR A 13 3.901 -7.186 -3.826 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.159 -7.069 -7.015 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.151 -8.904 -3.723 1.00 0.00 H new ATOM 0 HH TYR A 13 0.268 -9.678 -4.579 1.00 0.00 H new ATOM 168 N THR A 14 7.180 -4.780 -6.843 1.00 0.00 N ATOM 169 CA THR A 14 8.464 -4.095 -6.753 1.00 0.00 C ATOM 170 C THR A 14 8.878 -3.524 -8.104 1.00 0.00 C ATOM 171 O THR A 14 9.987 -3.014 -8.259 1.00 0.00 O ATOM 172 CB THR A 14 9.570 -5.041 -6.247 1.00 0.00 C ATOM 173 OG1 THR A 14 9.872 -6.021 -7.247 1.00 0.00 O ATOM 174 CG2 THR A 14 9.144 -5.734 -4.962 1.00 0.00 C ATOM 0 H THR A 14 7.248 -5.794 -6.925 1.00 0.00 H new ATOM 0 HA THR A 14 8.339 -3.280 -6.040 1.00 0.00 H new ATOM 0 HB THR A 14 10.460 -4.446 -6.042 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.059 -6.237 -7.750 1.00 0.00 H new ATOM 0 HG21 THR A 14 9.941 -6.396 -4.624 1.00 0.00 H new ATOM 0 HG22 THR A 14 8.944 -4.986 -4.194 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.241 -6.317 -5.145 1.00 0.00 H new ATOM 182 N ALA A 15 7.980 -3.612 -9.080 1.00 0.00 N ATOM 183 CA ALA A 15 8.251 -3.102 -10.418 1.00 0.00 C ATOM 184 C ALA A 15 7.650 -1.713 -10.607 1.00 0.00 C ATOM 185 O ALA A 15 8.053 -0.968 -11.501 1.00 0.00 O ATOM 186 CB ALA A 15 7.712 -4.060 -11.468 1.00 0.00 C ATOM 0 H ALA A 15 7.057 -4.032 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 15 9.331 -3.022 -10.538 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.922 -3.666 -12.462 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.192 -5.032 -11.354 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.635 -4.170 -11.341 1.00 0.00 H new ATOM 192 N TYR A 16 6.686 -1.370 -9.761 1.00 0.00 N ATOM 193 CA TYR A 16 6.027 -0.071 -9.837 1.00 0.00 C ATOM 194 C TYR A 16 6.854 1.002 -9.136 1.00 0.00 C ATOM 195 O TYR A 16 7.591 0.732 -8.187 1.00 0.00 O ATOM 196 CB TYR A 16 4.633 -0.146 -9.212 1.00 0.00 C ATOM 197 CG TYR A 16 3.657 -0.983 -10.008 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.107 -0.508 -11.192 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.283 -2.249 -9.575 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.215 -1.269 -11.921 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.393 -3.019 -10.298 1.00 0.00 C ATOM 202 CZ TYR A 16 1.862 -2.524 -11.471 1.00 0.00 C ATOM 203 OH TYR A 16 0.973 -3.286 -12.194 1.00 0.00 O ATOM 0 H TYR A 16 6.343 -1.974 -9.014 1.00 0.00 H new ATOM 0 HA TYR A 16 5.933 0.199 -10.889 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.716 -0.558 -8.206 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.235 0.864 -9.111 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.382 0.474 -11.548 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.696 -2.638 -8.656 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.796 -0.884 -12.839 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.115 -4.002 -9.947 1.00 0.00 H new ATOM 0 HH TYR A 16 1.172 -4.236 -12.060 1.00 0.00 H new ATOM 213 N PRO A 17 6.730 2.248 -9.612 1.00 0.00 N ATOM 214 CA PRO A 17 7.458 3.389 -9.047 1.00 0.00 C ATOM 215 C PRO A 17 6.954 3.764 -7.657 1.00 0.00 C ATOM 216 O PRO A 17 7.693 4.332 -6.852 1.00 0.00 O ATOM 217 CB PRO A 17 7.177 4.517 -10.041 1.00 0.00 C ATOM 218 CG PRO A 17 5.885 4.145 -10.682 1.00 0.00 C ATOM 219 CD PRO A 17 5.871 2.642 -10.741 1.00 0.00 C ATOM 0 HA PRO A 17 8.519 3.173 -8.917 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.105 5.480 -9.536 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.975 4.602 -10.779 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.040 4.521 -10.105 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.806 4.576 -11.680 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.861 2.245 -10.635 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.261 2.273 -11.690 1.00 0.00 H new ATOM 227 N TRP A 18 5.694 3.446 -7.383 1.00 0.00 N ATOM 228 CA TRP A 18 5.092 3.751 -6.090 1.00 0.00 C ATOM 229 C TRP A 18 5.434 2.676 -5.064 1.00 0.00 C ATOM 230 O TRP A 18 4.808 2.592 -4.007 1.00 0.00 O ATOM 231 CB TRP A 18 3.575 3.878 -6.228 1.00 0.00 C ATOM 232 CG TRP A 18 2.971 2.841 -7.126 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.530 3.021 -8.406 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.739 1.464 -6.809 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.038 1.838 -8.903 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.156 0.868 -7.944 1.00 0.00 C ATOM 237 CE3 TRP A 18 2.969 0.676 -5.678 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.801 -0.478 -7.978 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.615 -0.659 -5.713 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.037 -1.225 -6.857 1.00 0.00 C ATOM 0 H TRP A 18 5.069 2.977 -8.039 1.00 0.00 H new ATOM 0 HA TRP A 18 5.498 4.701 -5.743 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.120 3.802 -5.240 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.334 4.868 -6.615 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.563 3.955 -8.947 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.648 1.704 -9.836 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.416 1.103 -4.792 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.355 -0.917 -8.858 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.787 -1.277 -4.844 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.773 -2.272 -6.853 1.00 0.00 H new ATOM 251 N PHE A 19 6.430 1.856 -5.382 1.00 0.00 N ATOM 252 CA PHE A 19 6.853 0.785 -4.487 1.00 0.00 C ATOM 253 C PHE A 19 7.988 1.251 -3.580 1.00 0.00 C ATOM 254 O PHE A 19 8.966 1.837 -4.042 1.00 0.00 O ATOM 255 CB PHE A 19 7.299 -0.436 -5.294 1.00 0.00 C ATOM 256 CG PHE A 19 8.218 -1.352 -4.537 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.705 -2.371 -3.750 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.592 -1.196 -4.612 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.548 -3.215 -3.050 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.439 -2.037 -3.916 1.00 0.00 C ATOM 261 CZ PHE A 19 9.917 -3.048 -3.135 1.00 0.00 C ATOM 0 H PHE A 19 6.959 1.912 -6.252 1.00 0.00 H new ATOM 0 HA PHE A 19 6.003 0.509 -3.863 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.418 -0.996 -5.607 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.801 -0.099 -6.201 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.636 -2.507 -3.683 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.007 -0.407 -5.222 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.137 -4.004 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.509 -1.903 -3.983 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.577 -3.707 -2.591 1.00 0.00 H new ATOM 271 N ALA A 20 7.848 0.987 -2.285 1.00 0.00 N ATOM 272 CA ALA A 20 8.861 1.378 -1.312 1.00 0.00 C ATOM 273 C ALA A 20 9.654 0.168 -0.829 1.00 0.00 C ATOM 274 O ALA A 20 10.879 0.136 -0.931 1.00 0.00 O ATOM 275 CB ALA A 20 8.214 2.091 -0.135 1.00 0.00 C ATOM 0 H ALA A 20 7.043 0.504 -1.885 1.00 0.00 H new ATOM 0 HA ALA A 20 9.554 2.062 -1.801 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.982 2.377 0.584 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.698 2.983 -0.489 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.498 1.424 0.345 1.00 0.00 H new ATOM 281 N GLY A 21 8.946 -0.827 -0.303 1.00 0.00 N ATOM 282 CA GLY A 21 9.601 -2.024 0.189 1.00 0.00 C ATOM 283 C GLY A 21 9.844 -1.980 1.684 1.00 0.00 C ATOM 284 O GLY A 21 8.950 -1.635 2.455 1.00 0.00 O ATOM 0 H GLY A 21 7.930 -0.825 -0.209 1.00 0.00 H new ATOM 0 HA2 GLY A 21 8.989 -2.894 -0.051 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.553 -2.152 -0.327 1.00 0.00 H new ATOM 288 N ASN A 22 11.058 -2.333 2.096 1.00 0.00 N ATOM 289 CA ASN A 22 11.414 -2.334 3.510 1.00 0.00 C ATOM 290 C ASN A 22 11.604 -0.911 4.025 1.00 0.00 C ATOM 291 O ASN A 22 12.691 -0.540 4.467 1.00 0.00 O ATOM 292 CB ASN A 22 12.693 -3.144 3.733 1.00 0.00 C ATOM 293 CG ASN A 22 13.212 -3.025 5.154 1.00 0.00 C ATOM 294 OD1 ASN A 22 12.576 -3.489 6.100 1.00 0.00 O ATOM 295 ND2 ASN A 22 14.374 -2.399 5.308 1.00 0.00 N ATOM 0 H ASN A 22 11.811 -2.622 1.471 1.00 0.00 H new ATOM 0 HA ASN A 22 10.597 -2.795 4.065 1.00 0.00 H new ATOM 0 HB2 ASN A 22 12.500 -4.193 3.506 1.00 0.00 H new ATOM 0 HB3 ASN A 22 13.461 -2.804 3.039 1.00 0.00 H new ATOM 0 HD21 ASN A 22 14.774 -2.287 6.240 1.00 0.00 H new ATOM 0 HD22 ASN A 22 14.866 -2.030 4.494 1.00 0.00 H new ATOM 302 N MET A 23 10.539 -0.118 3.963 1.00 0.00 N ATOM 303 CA MET A 23 10.588 1.265 4.424 1.00 0.00 C ATOM 304 C MET A 23 10.382 1.342 5.933 1.00 0.00 C ATOM 305 O MET A 23 9.837 0.421 6.541 1.00 0.00 O ATOM 306 CB MET A 23 9.525 2.101 3.709 1.00 0.00 C ATOM 307 CG MET A 23 9.907 3.564 3.552 1.00 0.00 C ATOM 308 SD MET A 23 10.756 3.897 1.996 1.00 0.00 S ATOM 309 CE MET A 23 9.794 5.275 1.375 1.00 0.00 C ATOM 0 H MET A 23 9.632 -0.409 3.598 1.00 0.00 H new ATOM 0 HA MET A 23 11.574 1.666 4.189 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.341 1.674 2.723 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.589 2.036 4.264 1.00 0.00 H new ATOM 0 HG2 MET A 23 9.008 4.178 3.610 1.00 0.00 H new ATOM 0 HG3 MET A 23 10.549 3.859 4.382 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.448 5.965 0.842 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.026 4.906 0.696 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.322 5.794 2.209 1.00 0.00 H new ATOM 319 N GLU A 24 10.821 2.445 6.531 1.00 0.00 N ATOM 320 CA GLU A 24 10.685 2.640 7.970 1.00 0.00 C ATOM 321 C GLU A 24 9.580 3.645 8.280 1.00 0.00 C ATOM 322 O GLU A 24 9.566 4.754 7.743 1.00 0.00 O ATOM 323 CB GLU A 24 12.009 3.119 8.569 1.00 0.00 C ATOM 324 CG GLU A 24 13.141 2.118 8.423 1.00 0.00 C ATOM 325 CD GLU A 24 12.914 0.858 9.237 1.00 0.00 C ATOM 326 OE1 GLU A 24 12.115 0.005 8.797 1.00 0.00 O ATOM 327 OE2 GLU A 24 13.536 0.725 10.312 1.00 0.00 O ATOM 0 H GLU A 24 11.274 3.217 6.042 1.00 0.00 H new ATOM 0 HA GLU A 24 10.418 1.683 8.418 1.00 0.00 H new ATOM 0 HB2 GLU A 24 12.298 4.054 8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 24 11.862 3.336 9.627 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.252 1.852 7.372 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.076 2.584 8.735 1.00 0.00 H new ATOM 334 N ARG A 25 8.655 3.250 9.148 1.00 0.00 N ATOM 335 CA ARG A 25 7.545 4.115 9.529 1.00 0.00 C ATOM 336 C ARG A 25 7.988 5.573 9.593 1.00 0.00 C ATOM 337 O ARG A 25 7.286 6.466 9.119 1.00 0.00 O ATOM 338 CB ARG A 25 6.976 3.684 10.883 1.00 0.00 C ATOM 339 CG ARG A 25 5.881 2.635 10.778 1.00 0.00 C ATOM 340 CD ARG A 25 6.461 1.243 10.576 1.00 0.00 C ATOM 341 NE ARG A 25 7.200 0.783 11.749 1.00 0.00 N ATOM 342 CZ ARG A 25 7.891 -0.351 11.784 1.00 0.00 C ATOM 343 NH1 ARG A 25 7.939 -1.135 10.716 1.00 0.00 N ATOM 344 NH2 ARG A 25 8.538 -0.702 12.888 1.00 0.00 N ATOM 0 H ARG A 25 8.652 2.336 9.601 1.00 0.00 H new ATOM 0 HA ARG A 25 6.769 4.022 8.770 1.00 0.00 H new ATOM 0 HB2 ARG A 25 7.785 3.292 11.499 1.00 0.00 H new ATOM 0 HB3 ARG A 25 6.580 4.560 11.397 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.274 2.650 11.683 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.220 2.879 9.946 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.655 0.543 10.358 1.00 0.00 H new ATOM 0 HD3 ARG A 25 7.122 1.248 9.710 1.00 0.00 H new ATOM 0 HE ARG A 25 7.185 1.364 12.587 1.00 0.00 H new ATOM 0 HH11 ARG A 25 7.445 -0.868 9.865 1.00 0.00 H new ATOM 0 HH12 ARG A 25 8.470 -2.005 10.746 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.505 -0.101 13.711 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.068 -1.573 12.913 1.00 0.00 H new ATOM 358 N GLN A 26 9.157 5.806 10.180 1.00 0.00 N ATOM 359 CA GLN A 26 9.694 7.156 10.306 1.00 0.00 C ATOM 360 C GLN A 26 10.130 7.697 8.949 1.00 0.00 C ATOM 361 O GLN A 26 9.767 8.809 8.568 1.00 0.00 O ATOM 362 CB GLN A 26 10.875 7.170 11.278 1.00 0.00 C ATOM 363 CG GLN A 26 11.236 8.560 11.777 1.00 0.00 C ATOM 364 CD GLN A 26 12.617 8.616 12.398 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.763 8.885 13.591 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.641 8.362 11.591 1.00 0.00 N ATOM 0 H GLN A 26 9.751 5.077 10.576 1.00 0.00 H new ATOM 0 HA GLN A 26 8.905 7.799 10.696 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.639 6.536 12.133 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.744 6.732 10.787 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.186 9.264 10.947 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.498 8.881 12.512 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.474 8.143 10.609 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.594 8.385 11.954 1.00 0.00 H new ATOM 375 N GLN A 27 10.913 6.902 8.225 1.00 0.00 N ATOM 376 CA GLN A 27 11.400 7.303 6.910 1.00 0.00 C ATOM 377 C GLN A 27 10.252 7.775 6.024 1.00 0.00 C ATOM 378 O GLN A 27 10.340 8.818 5.374 1.00 0.00 O ATOM 379 CB GLN A 27 12.134 6.141 6.238 1.00 0.00 C ATOM 380 CG GLN A 27 12.476 6.399 4.780 1.00 0.00 C ATOM 381 CD GLN A 27 13.713 7.260 4.615 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.162 7.910 5.559 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.271 7.269 3.410 1.00 0.00 N ATOM 0 H GLN A 27 11.223 5.978 8.527 1.00 0.00 H new ATOM 0 HA GLN A 27 12.094 8.132 7.046 1.00 0.00 H new ATOM 0 HB2 GLN A 27 13.053 5.936 6.787 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.517 5.245 6.305 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.630 5.447 4.273 1.00 0.00 H new ATOM 0 HG3 GLN A 27 11.631 6.886 4.293 1.00 0.00 H new ATOM 0 HE21 GLN A 27 13.865 6.715 2.656 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.105 7.830 3.239 1.00 0.00 H new ATOM 392 N THR A 28 9.171 7.000 6.002 1.00 0.00 N ATOM 393 CA THR A 28 8.005 7.337 5.195 1.00 0.00 C ATOM 394 C THR A 28 7.413 8.678 5.618 1.00 0.00 C ATOM 395 O THR A 28 7.134 9.534 4.779 1.00 0.00 O ATOM 396 CB THR A 28 6.916 6.253 5.300 1.00 0.00 C ATOM 397 OG1 THR A 28 7.477 4.967 5.010 1.00 0.00 O ATOM 398 CG2 THR A 28 5.772 6.540 4.340 1.00 0.00 C ATOM 0 H THR A 28 9.080 6.135 6.534 1.00 0.00 H new ATOM 0 HA THR A 28 8.344 7.401 4.161 1.00 0.00 H new ATOM 0 HB THR A 28 6.525 6.259 6.318 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.779 4.282 5.080 1.00 0.00 H new ATOM 0 HG21 THR A 28 5.015 5.761 4.432 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.329 7.506 4.580 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.151 6.559 3.318 1.00 0.00 H new ATOM 406 N ASP A 29 7.225 8.851 6.920 1.00 0.00 N ATOM 407 CA ASP A 29 6.667 10.089 7.454 1.00 0.00 C ATOM 408 C ASP A 29 7.691 11.219 7.387 1.00 0.00 C ATOM 409 O ASP A 29 7.359 12.383 7.605 1.00 0.00 O ATOM 410 CB ASP A 29 6.208 9.884 8.898 1.00 0.00 C ATOM 411 CG ASP A 29 5.140 10.879 9.311 1.00 0.00 C ATOM 412 OD1 ASP A 29 5.346 12.092 9.103 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.098 10.442 9.844 1.00 0.00 O ATOM 0 H ASP A 29 7.450 8.151 7.626 1.00 0.00 H new ATOM 0 HA ASP A 29 5.807 10.366 6.844 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.822 8.871 9.013 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.065 9.976 9.566 1.00 0.00 H new ATOM 418 N ASN A 30 8.936 10.865 7.088 1.00 0.00 N ATOM 419 CA ASN A 30 10.008 11.850 6.995 1.00 0.00 C ATOM 420 C ASN A 30 10.167 12.346 5.561 1.00 0.00 C ATOM 421 O ASN A 30 10.552 13.494 5.329 1.00 0.00 O ATOM 422 CB ASN A 30 11.327 11.247 7.486 1.00 0.00 C ATOM 423 CG ASN A 30 11.527 11.433 8.977 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.816 12.208 9.618 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.498 10.722 9.538 1.00 0.00 N ATOM 0 H ASN A 30 9.228 9.905 6.906 1.00 0.00 H new ATOM 0 HA ASN A 30 9.745 12.698 7.628 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.348 10.183 7.249 1.00 0.00 H new ATOM 0 HB3 ASN A 30 12.156 11.709 6.950 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.679 10.806 10.538 1.00 0.00 H new ATOM 0 HD22 ASN A 30 13.063 10.092 8.969 1.00 0.00 H new ATOM 432 N LEU A 31 9.869 11.478 4.602 1.00 0.00 N ATOM 433 CA LEU A 31 9.977 11.828 3.190 1.00 0.00 C ATOM 434 C LEU A 31 8.645 12.340 2.653 1.00 0.00 C ATOM 435 O LEU A 31 8.603 13.292 1.873 1.00 0.00 O ATOM 436 CB LEU A 31 10.436 10.616 2.378 1.00 0.00 C ATOM 437 CG LEU A 31 9.343 9.627 1.971 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.676 10.071 0.679 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.919 8.227 1.823 1.00 0.00 C ATOM 0 H LEU A 31 9.550 10.525 4.776 1.00 0.00 H new ATOM 0 HA LEU A 31 10.716 12.623 3.093 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.928 10.975 1.474 1.00 0.00 H new ATOM 0 HB3 LEU A 31 11.187 10.079 2.958 1.00 0.00 H new ATOM 0 HG LEU A 31 8.588 9.606 2.757 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.901 9.355 0.405 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.228 11.055 0.820 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.420 10.122 -0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.127 7.536 1.533 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.695 8.232 1.057 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.349 7.908 2.773 1.00 0.00 H new ATOM 451 N LEU A 32 7.558 11.703 3.076 1.00 0.00 N ATOM 452 CA LEU A 32 6.223 12.096 2.638 1.00 0.00 C ATOM 453 C LEU A 32 5.881 13.501 3.125 1.00 0.00 C ATOM 454 O LEU A 32 5.433 14.346 2.351 1.00 0.00 O ATOM 455 CB LEU A 32 5.183 11.099 3.153 1.00 0.00 C ATOM 456 CG LEU A 32 5.024 9.814 2.339 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.832 9.012 2.835 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.875 10.136 0.859 1.00 0.00 C ATOM 0 H LEU A 32 7.575 10.913 3.721 1.00 0.00 H new ATOM 0 HA LEU A 32 6.210 12.096 1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.445 10.827 4.176 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.217 11.601 3.194 1.00 0.00 H new ATOM 0 HG LEU A 32 5.921 9.210 2.470 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.735 8.101 2.244 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.980 8.750 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.925 9.608 2.735 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.763 9.210 0.295 1.00 0.00 H new ATOM 0 HD22 LEU A 32 3.995 10.761 0.709 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.761 10.668 0.511 1.00 0.00 H new ATOM 470 N LYS A 33 6.099 13.744 4.413 1.00 0.00 N ATOM 471 CA LYS A 33 5.819 15.048 5.003 1.00 0.00 C ATOM 472 C LYS A 33 6.250 16.173 4.069 1.00 0.00 C ATOM 473 O LYS A 33 5.658 17.253 4.067 1.00 0.00 O ATOM 474 CB LYS A 33 6.535 15.186 6.349 1.00 0.00 C ATOM 475 CG LYS A 33 8.035 15.385 6.222 1.00 0.00 C ATOM 476 CD LYS A 33 8.699 15.507 7.584 1.00 0.00 C ATOM 477 CE LYS A 33 8.620 16.930 8.116 1.00 0.00 C ATOM 478 NZ LYS A 33 9.463 17.866 7.323 1.00 0.00 N ATOM 0 H LYS A 33 6.469 13.055 5.068 1.00 0.00 H new ATOM 0 HA LYS A 33 4.743 15.123 5.161 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.110 16.030 6.892 1.00 0.00 H new ATOM 0 HB3 LYS A 33 6.344 14.294 6.946 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.469 14.546 5.678 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.236 16.282 5.637 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.218 14.827 8.287 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.743 15.202 7.510 1.00 0.00 H new ATOM 0 HE2 LYS A 33 7.584 17.268 8.096 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.940 16.947 9.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 9.658 18.719 7.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 10.360 17.401 7.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 8.961 18.133 6.452 1.00 0.00 H new ATOM 492 N SER A 34 7.284 15.913 3.274 1.00 0.00 N ATOM 493 CA SER A 34 7.795 16.906 2.335 1.00 0.00 C ATOM 494 C SER A 34 7.007 16.875 1.030 1.00 0.00 C ATOM 495 O SER A 34 6.787 17.910 0.400 1.00 0.00 O ATOM 496 CB SER A 34 9.279 16.656 2.055 1.00 0.00 C ATOM 497 OG SER A 34 9.886 17.795 1.470 1.00 0.00 O ATOM 0 H SER A 34 7.784 15.024 3.261 1.00 0.00 H new ATOM 0 HA SER A 34 7.678 17.892 2.786 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.790 16.404 2.984 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.388 15.800 1.389 1.00 0.00 H new ATOM 0 HG SER A 34 10.834 17.611 1.302 1.00 0.00 H new ATOM 503 N HIS A 35 6.584 15.681 0.628 1.00 0.00 N ATOM 504 CA HIS A 35 5.819 15.514 -0.602 1.00 0.00 C ATOM 505 C HIS A 35 4.540 16.345 -0.564 1.00 0.00 C ATOM 506 O HIS A 35 4.296 17.084 0.390 1.00 0.00 O ATOM 507 CB HIS A 35 5.477 14.040 -0.820 1.00 0.00 C ATOM 508 CG HIS A 35 6.531 13.286 -1.572 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.566 13.213 -2.948 1.00 0.00 N ATOM 510 CD2 HIS A 35 7.591 12.570 -1.131 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.603 12.483 -3.322 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.241 12.082 -2.238 1.00 0.00 N ATOM 0 H HIS A 35 6.758 14.814 1.137 1.00 0.00 H new ATOM 0 HA HIS A 35 6.433 15.863 -1.432 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.322 13.564 0.148 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.535 13.971 -1.363 1.00 0.00 H new ATOM 0 HD1 HIS A 35 5.897 13.653 -3.579 1.00 0.00 H new ATOM 0 HD2 HIS A 35 7.873 12.412 -0.101 1.00 0.00 H new ATOM 0 HE1 HIS A 35 7.881 12.254 -4.340 1.00 0.00 H new ATOM 521 N ALA A 36 3.726 16.219 -1.608 1.00 0.00 N ATOM 522 CA ALA A 36 2.472 16.957 -1.691 1.00 0.00 C ATOM 523 C ALA A 36 1.330 16.172 -1.056 1.00 0.00 C ATOM 524 O ALA A 36 1.543 15.108 -0.476 1.00 0.00 O ATOM 525 CB ALA A 36 2.148 17.284 -3.141 1.00 0.00 C ATOM 0 H ALA A 36 3.913 15.613 -2.407 1.00 0.00 H new ATOM 0 HA ALA A 36 2.589 17.888 -1.137 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.209 17.835 -3.189 1.00 0.00 H new ATOM 0 HB2 ALA A 36 2.948 17.892 -3.564 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.055 16.359 -3.711 1.00 0.00 H new ATOM 531 N SER A 37 0.117 16.705 -1.169 1.00 0.00 N ATOM 532 CA SER A 37 -1.059 16.056 -0.601 1.00 0.00 C ATOM 533 C SER A 37 -1.636 15.032 -1.573 1.00 0.00 C ATOM 534 O SER A 37 -2.828 14.729 -1.538 1.00 0.00 O ATOM 535 CB SER A 37 -2.122 17.098 -0.249 1.00 0.00 C ATOM 536 OG SER A 37 -2.995 16.615 0.757 1.00 0.00 O ATOM 0 H SER A 37 -0.077 17.584 -1.649 1.00 0.00 H new ATOM 0 HA SER A 37 -0.755 15.537 0.308 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.639 18.014 0.093 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.695 17.353 -1.140 1.00 0.00 H new ATOM 0 HG SER A 37 -3.664 17.300 0.965 1.00 0.00 H new ATOM 542 N GLY A 38 -0.780 14.501 -2.442 1.00 0.00 N ATOM 543 CA GLY A 38 -1.223 13.516 -3.411 1.00 0.00 C ATOM 544 C GLY A 38 -0.193 12.430 -3.647 1.00 0.00 C ATOM 545 O GLY A 38 -0.350 11.595 -4.538 1.00 0.00 O ATOM 0 H GLY A 38 0.211 14.736 -2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.152 13.062 -3.065 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.444 14.014 -4.355 1.00 0.00 H new ATOM 549 N THR A 39 0.870 12.440 -2.846 1.00 0.00 N ATOM 550 CA THR A 39 1.932 11.451 -2.973 1.00 0.00 C ATOM 551 C THR A 39 1.600 10.185 -2.193 1.00 0.00 C ATOM 552 O THR A 39 1.413 10.225 -0.976 1.00 0.00 O ATOM 553 CB THR A 39 3.280 12.007 -2.478 1.00 0.00 C ATOM 554 OG1 THR A 39 3.670 13.130 -3.277 1.00 0.00 O ATOM 555 CG2 THR A 39 4.361 10.938 -2.535 1.00 0.00 C ATOM 0 H THR A 39 1.017 13.123 -2.103 1.00 0.00 H new ATOM 0 HA THR A 39 2.014 11.210 -4.033 1.00 0.00 H new ATOM 0 HB THR A 39 3.159 12.323 -1.442 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.066 12.813 -4.116 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.304 11.355 -2.181 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.075 10.097 -1.903 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.480 10.595 -3.563 1.00 0.00 H new ATOM 563 N TYR A 40 1.528 9.062 -2.899 1.00 0.00 N ATOM 564 CA TYR A 40 1.215 7.783 -2.271 1.00 0.00 C ATOM 565 C TYR A 40 2.354 6.786 -2.470 1.00 0.00 C ATOM 566 O TYR A 40 3.158 6.921 -3.394 1.00 0.00 O ATOM 567 CB TYR A 40 -0.082 7.213 -2.845 1.00 0.00 C ATOM 568 CG TYR A 40 0.060 6.682 -4.253 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.069 7.544 -5.344 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.185 5.319 -4.494 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.199 7.064 -6.633 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.316 4.831 -5.780 1.00 0.00 C ATOM 573 CZ TYR A 40 0.321 5.706 -6.845 1.00 0.00 C ATOM 574 OH TYR A 40 0.451 5.224 -8.128 1.00 0.00 O ATOM 0 H TYR A 40 1.682 9.011 -3.906 1.00 0.00 H new ATOM 0 HA TYR A 40 1.087 7.953 -1.202 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.434 6.410 -2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.846 7.990 -2.834 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -0.027 8.607 -5.181 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.180 4.630 -3.662 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.205 7.747 -7.469 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.414 3.769 -5.950 1.00 0.00 H new ATOM 0 HH TYR A 40 1.012 4.420 -8.120 1.00 0.00 H new ATOM 584 N LEU A 41 2.415 5.786 -1.598 1.00 0.00 N ATOM 585 CA LEU A 41 3.454 4.765 -1.677 1.00 0.00 C ATOM 586 C LEU A 41 3.033 3.502 -0.932 1.00 0.00 C ATOM 587 O LEU A 41 2.169 3.546 -0.056 1.00 0.00 O ATOM 588 CB LEU A 41 4.766 5.299 -1.100 1.00 0.00 C ATOM 589 CG LEU A 41 4.961 5.116 0.405 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.671 3.803 0.697 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.739 6.287 0.988 1.00 0.00 C ATOM 0 H LEU A 41 1.758 5.660 -0.828 1.00 0.00 H new ATOM 0 HA LEU A 41 3.603 4.513 -2.727 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.592 4.809 -1.615 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.834 6.363 -1.328 1.00 0.00 H new ATOM 0 HG LEU A 41 3.979 5.086 0.878 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.801 3.691 1.773 1.00 0.00 H new ATOM 0 HD12 LEU A 41 5.075 2.974 0.315 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.647 3.802 0.212 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.869 6.140 2.060 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.716 6.349 0.510 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.190 7.212 0.812 1.00 0.00 H new ATOM 603 N ILE A 42 3.653 2.380 -1.283 1.00 0.00 N ATOM 604 CA ILE A 42 3.345 1.107 -0.645 1.00 0.00 C ATOM 605 C ILE A 42 4.607 0.446 -0.100 1.00 0.00 C ATOM 606 O ILE A 42 5.553 0.183 -0.843 1.00 0.00 O ATOM 607 CB ILE A 42 2.655 0.139 -1.624 1.00 0.00 C ATOM 608 CG1 ILE A 42 1.197 0.550 -1.838 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.737 -1.289 -1.105 1.00 0.00 C ATOM 610 CD1 ILE A 42 1.002 1.508 -2.993 1.00 0.00 C ATOM 0 H ILE A 42 4.371 2.327 -2.005 1.00 0.00 H new ATOM 0 HA ILE A 42 2.665 1.323 0.179 1.00 0.00 H new ATOM 0 HB ILE A 42 3.172 0.186 -2.583 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.598 -0.344 -2.013 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.821 1.012 -0.926 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.245 -1.961 -1.808 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.783 -1.578 -0.999 1.00 0.00 H new ATOM 0 HG23 ILE A 42 2.242 -1.353 -0.136 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -0.055 1.756 -3.086 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.573 2.418 -2.811 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.347 1.041 -3.915 1.00 0.00 H new ATOM 622 N ARG A 43 4.614 0.179 1.202 1.00 0.00 N ATOM 623 CA ARG A 43 5.759 -0.452 1.847 1.00 0.00 C ATOM 624 C ARG A 43 5.397 -1.845 2.355 1.00 0.00 C ATOM 625 O ARG A 43 4.240 -2.259 2.287 1.00 0.00 O ATOM 626 CB ARG A 43 6.259 0.412 3.005 1.00 0.00 C ATOM 627 CG ARG A 43 5.356 0.373 4.228 1.00 0.00 C ATOM 628 CD ARG A 43 5.408 1.681 5.001 1.00 0.00 C ATOM 629 NE ARG A 43 4.149 1.964 5.684 1.00 0.00 N ATOM 630 CZ ARG A 43 2.994 2.139 5.053 1.00 0.00 C ATOM 631 NH1 ARG A 43 2.939 2.060 3.730 1.00 0.00 N ATOM 632 NH2 ARG A 43 1.890 2.393 5.744 1.00 0.00 N ATOM 0 H ARG A 43 3.839 0.390 1.831 1.00 0.00 H new ATOM 0 HA ARG A 43 6.553 -0.549 1.107 1.00 0.00 H new ATOM 0 HB2 ARG A 43 7.257 0.080 3.290 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.351 1.443 2.664 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.330 0.173 3.918 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.658 -0.448 4.879 1.00 0.00 H new ATOM 0 HD2 ARG A 43 6.215 1.638 5.732 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.641 2.497 4.317 1.00 0.00 H new ATOM 0 HE ARG A 43 4.157 2.031 6.702 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.785 1.864 3.195 1.00 0.00 H new ATOM 0 HH12 ARG A 43 2.050 2.195 3.248 1.00 0.00 H new ATOM 0 HH21 ARG A 43 1.928 2.454 6.761 1.00 0.00 H new ATOM 0 HH22 ARG A 43 1.004 2.527 5.258 1.00 0.00 H new ATOM 646 N GLU A 44 6.395 -2.561 2.865 1.00 0.00 N ATOM 647 CA GLU A 44 6.180 -3.907 3.383 1.00 0.00 C ATOM 648 C GLU A 44 6.362 -3.942 4.898 1.00 0.00 C ATOM 649 O GLU A 44 7.398 -3.529 5.419 1.00 0.00 O ATOM 650 CB GLU A 44 7.146 -4.893 2.720 1.00 0.00 C ATOM 651 CG GLU A 44 7.456 -6.109 3.575 1.00 0.00 C ATOM 652 CD GLU A 44 6.257 -7.022 3.747 1.00 0.00 C ATOM 653 OE1 GLU A 44 5.268 -6.848 3.004 1.00 0.00 O ATOM 654 OE2 GLU A 44 6.307 -7.911 4.623 1.00 0.00 O ATOM 0 H GLU A 44 7.358 -2.232 2.930 1.00 0.00 H new ATOM 0 HA GLU A 44 5.156 -4.199 3.150 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.720 -5.224 1.773 1.00 0.00 H new ATOM 0 HB3 GLU A 44 8.077 -4.376 2.488 1.00 0.00 H new ATOM 0 HG2 GLU A 44 8.273 -6.670 3.120 1.00 0.00 H new ATOM 0 HG3 GLU A 44 7.802 -5.781 4.555 1.00 0.00 H new ATOM 749 N ARG A 51 0.664 -8.055 5.954 1.00 0.00 N ATOM 750 CA ARG A 51 1.956 -8.201 5.293 1.00 0.00 C ATOM 751 C ARG A 51 2.311 -6.939 4.511 1.00 0.00 C ATOM 752 O ARG A 51 3.455 -6.486 4.530 1.00 0.00 O ATOM 753 CB ARG A 51 1.939 -9.408 4.354 1.00 0.00 C ATOM 754 CG ARG A 51 3.210 -9.560 3.535 1.00 0.00 C ATOM 755 CD ARG A 51 3.117 -8.804 2.218 1.00 0.00 C ATOM 756 NE ARG A 51 4.033 -9.339 1.214 1.00 0.00 N ATOM 757 CZ ARG A 51 3.792 -10.441 0.512 1.00 0.00 C ATOM 758 NH1 ARG A 51 2.670 -11.121 0.704 1.00 0.00 N ATOM 759 NH2 ARG A 51 4.675 -10.865 -0.383 1.00 0.00 N ATOM 0 HA ARG A 51 2.714 -8.358 6.061 1.00 0.00 H new ATOM 0 HB2 ARG A 51 1.785 -10.313 4.942 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.089 -9.319 3.677 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.060 -9.191 4.109 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.393 -10.616 3.338 1.00 0.00 H new ATOM 0 HD2 ARG A 51 2.096 -8.856 1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.340 -7.751 2.388 1.00 0.00 H new ATOM 0 HE ARG A 51 4.905 -8.839 1.042 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.989 -10.798 1.392 1.00 0.00 H new ATOM 0 HH12 ARG A 51 2.487 -11.967 0.164 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.540 -10.345 -0.532 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.489 -11.711 -0.921 1.00 0.00 H new ATOM 773 N PHE A 52 1.322 -6.379 3.822 1.00 0.00 N ATOM 774 CA PHE A 52 1.530 -5.171 3.031 1.00 0.00 C ATOM 775 C PHE A 52 0.805 -3.981 3.654 1.00 0.00 C ATOM 776 O PHE A 52 -0.199 -4.145 4.346 1.00 0.00 O ATOM 777 CB PHE A 52 1.044 -5.385 1.597 1.00 0.00 C ATOM 778 CG PHE A 52 1.995 -6.185 0.755 1.00 0.00 C ATOM 779 CD1 PHE A 52 3.326 -5.816 0.648 1.00 0.00 C ATOM 780 CD2 PHE A 52 1.558 -7.306 0.068 1.00 0.00 C ATOM 781 CE1 PHE A 52 4.204 -6.551 -0.126 1.00 0.00 C ATOM 782 CE2 PHE A 52 2.432 -8.046 -0.707 1.00 0.00 C ATOM 783 CZ PHE A 52 3.756 -7.666 -0.805 1.00 0.00 C ATOM 0 H PHE A 52 0.369 -6.742 3.795 1.00 0.00 H new ATOM 0 HA PHE A 52 2.598 -4.956 3.017 1.00 0.00 H new ATOM 0 HB2 PHE A 52 0.079 -5.891 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.884 -4.414 1.127 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.682 -4.943 1.176 1.00 0.00 H new ATOM 0 HD2 PHE A 52 0.523 -7.605 0.139 1.00 0.00 H new ATOM 0 HE1 PHE A 52 5.240 -6.253 -0.199 1.00 0.00 H new ATOM 0 HE2 PHE A 52 2.080 -8.920 -1.235 1.00 0.00 H new ATOM 0 HZ PHE A 52 4.440 -8.240 -1.412 1.00 0.00 H new ATOM 793 N ALA A 53 1.324 -2.783 3.404 1.00 0.00 N ATOM 794 CA ALA A 53 0.725 -1.565 3.939 1.00 0.00 C ATOM 795 C ALA A 53 0.850 -0.413 2.948 1.00 0.00 C ATOM 796 O ALA A 53 1.814 -0.338 2.187 1.00 0.00 O ATOM 797 CB ALA A 53 1.373 -1.197 5.265 1.00 0.00 C ATOM 0 H ALA A 53 2.157 -2.630 2.835 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.336 -1.753 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.916 -0.286 5.653 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.228 -2.008 5.979 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.440 -1.033 5.115 1.00 0.00 H new ATOM 803 N ILE A 54 -0.132 0.483 2.964 1.00 0.00 N ATOM 804 CA ILE A 54 -0.130 1.632 2.068 1.00 0.00 C ATOM 805 C ILE A 54 -0.045 2.939 2.849 1.00 0.00 C ATOM 806 O ILE A 54 -0.615 3.064 3.933 1.00 0.00 O ATOM 807 CB ILE A 54 -1.391 1.658 1.183 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.590 0.301 0.504 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.288 2.765 0.145 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.033 0.008 0.153 1.00 0.00 C ATOM 0 H ILE A 54 -0.938 0.435 3.587 1.00 0.00 H new ATOM 0 HA ILE A 54 0.750 1.534 1.432 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.256 1.859 1.814 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.989 0.267 -0.405 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.218 -0.484 1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.187 2.770 -0.472 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.188 3.727 0.648 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.416 2.593 -0.486 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.100 -0.969 -0.325 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.636 0.010 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.404 0.772 -0.530 1.00 0.00 H new ATOM 822 N SER A 55 0.669 3.911 2.290 1.00 0.00 N ATOM 823 CA SER A 55 0.830 5.208 2.936 1.00 0.00 C ATOM 824 C SER A 55 0.730 6.338 1.915 1.00 0.00 C ATOM 825 O SER A 55 1.387 6.309 0.874 1.00 0.00 O ATOM 826 CB SER A 55 2.176 5.277 3.660 1.00 0.00 C ATOM 827 OG SER A 55 3.152 4.491 2.998 1.00 0.00 O ATOM 0 H SER A 55 1.145 3.825 1.392 1.00 0.00 H new ATOM 0 HA SER A 55 0.028 5.327 3.664 1.00 0.00 H new ATOM 0 HB2 SER A 55 2.512 6.313 3.711 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.059 4.929 4.686 1.00 0.00 H new ATOM 0 HG SER A 55 3.836 4.209 3.641 1.00 0.00 H new ATOM 833 N ILE A 56 -0.095 7.333 2.222 1.00 0.00 N ATOM 834 CA ILE A 56 -0.281 8.473 1.334 1.00 0.00 C ATOM 835 C ILE A 56 -0.285 9.783 2.114 1.00 0.00 C ATOM 836 O ILE A 56 -0.773 9.846 3.243 1.00 0.00 O ATOM 837 CB ILE A 56 -1.594 8.359 0.537 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.882 6.896 0.194 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.522 9.201 -0.728 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.680 6.172 1.255 1.00 0.00 C ATOM 0 H ILE A 56 -0.646 7.372 3.080 1.00 0.00 H new ATOM 0 HA ILE A 56 0.558 8.470 0.638 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.410 8.736 1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.425 6.853 -0.750 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.937 6.374 0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.458 9.109 -1.280 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.359 10.245 -0.461 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.698 8.852 -1.351 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.847 5.141 0.944 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.129 6.183 2.196 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.640 6.670 1.391 1.00 0.00 H new ATOM 852 N LYS A 57 0.260 10.831 1.505 1.00 0.00 N ATOM 853 CA LYS A 57 0.317 12.142 2.139 1.00 0.00 C ATOM 854 C LYS A 57 -0.963 12.929 1.879 1.00 0.00 C ATOM 855 O LYS A 57 -1.306 13.214 0.730 1.00 0.00 O ATOM 856 CB LYS A 57 1.525 12.928 1.626 1.00 0.00 C ATOM 857 CG LYS A 57 1.714 14.269 2.312 1.00 0.00 C ATOM 858 CD LYS A 57 2.149 14.100 3.758 1.00 0.00 C ATOM 859 CE LYS A 57 1.774 15.311 4.599 1.00 0.00 C ATOM 860 NZ LYS A 57 0.367 15.737 4.360 1.00 0.00 N ATOM 0 H LYS A 57 0.669 10.797 0.571 1.00 0.00 H new ATOM 0 HA LYS A 57 0.419 11.993 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.424 12.328 1.766 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.414 13.090 0.554 1.00 0.00 H new ATOM 0 HG2 LYS A 57 2.460 14.853 1.773 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.781 14.832 2.275 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.684 13.207 4.177 1.00 0.00 H new ATOM 0 HD3 LYS A 57 3.227 13.947 3.799 1.00 0.00 H new ATOM 0 HE2 LYS A 57 1.908 15.076 5.655 1.00 0.00 H new ATOM 0 HE3 LYS A 57 2.448 16.136 4.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.057 16.359 5.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.308 16.250 3.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.248 14.899 4.322 1.00 0.00 H new ATOM 874 N PHE A 58 -1.667 13.277 2.951 1.00 0.00 N ATOM 875 CA PHE A 58 -2.909 14.032 2.837 1.00 0.00 C ATOM 876 C PHE A 58 -3.354 14.557 4.199 1.00 0.00 C ATOM 877 O PHE A 58 -3.143 13.910 5.224 1.00 0.00 O ATOM 878 CB PHE A 58 -4.008 13.158 2.231 1.00 0.00 C ATOM 879 CG PHE A 58 -5.396 13.669 2.496 1.00 0.00 C ATOM 880 CD1 PHE A 58 -6.000 14.559 1.622 1.00 0.00 C ATOM 881 CD2 PHE A 58 -6.097 13.261 3.619 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.276 15.031 1.863 1.00 0.00 C ATOM 883 CE2 PHE A 58 -7.374 13.729 3.865 1.00 0.00 C ATOM 884 CZ PHE A 58 -7.963 14.616 2.985 1.00 0.00 C ATOM 0 H PHE A 58 -1.399 13.048 3.908 1.00 0.00 H new ATOM 0 HA PHE A 58 -2.728 14.883 2.181 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -3.854 13.090 1.154 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -3.919 12.148 2.630 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.467 14.888 0.742 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -5.640 12.569 4.311 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.735 15.724 1.174 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -7.910 13.402 4.744 1.00 0.00 H new ATOM 0 HZ PHE A 58 -8.960 14.984 3.175 1.00 0.00 H new ATOM 894 N ASN A 59 -3.970 15.735 4.201 1.00 0.00 N ATOM 895 CA ASN A 59 -4.444 16.346 5.437 1.00 0.00 C ATOM 896 C ASN A 59 -3.272 16.800 6.304 1.00 0.00 C ATOM 897 O ASN A 59 -3.293 16.643 7.525 1.00 0.00 O ATOM 898 CB ASN A 59 -5.319 15.363 6.216 1.00 0.00 C ATOM 899 CG ASN A 59 -6.367 16.063 7.059 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.118 16.416 8.212 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.547 16.266 6.487 1.00 0.00 N ATOM 0 H ASN A 59 -4.152 16.285 3.361 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.039 17.220 5.175 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -5.811 14.687 5.517 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -4.688 14.751 6.860 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.292 16.731 7.006 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.709 15.957 5.529 1.00 0.00 H new ATOM 908 N ASP A 60 -2.252 17.360 5.664 1.00 0.00 N ATOM 909 CA ASP A 60 -1.073 17.838 6.375 1.00 0.00 C ATOM 910 C ASP A 60 -0.547 16.772 7.332 1.00 0.00 C ATOM 911 O ASP A 60 0.091 17.086 8.336 1.00 0.00 O ATOM 912 CB ASP A 60 -1.399 19.117 7.148 1.00 0.00 C ATOM 913 CG ASP A 60 -1.231 20.364 6.302 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.463 20.312 5.318 1.00 0.00 O ATOM 915 OD2 ASP A 60 -1.864 21.390 6.624 1.00 0.00 O ATOM 0 H ASP A 60 -2.218 17.494 4.653 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.299 18.055 5.639 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.424 19.065 7.514 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.751 19.185 8.022 1.00 0.00 H new ATOM 920 N GLU A 61 -0.820 15.511 7.012 1.00 0.00 N ATOM 921 CA GLU A 61 -0.375 14.399 7.844 1.00 0.00 C ATOM 922 C GLU A 61 -0.148 13.146 7.002 1.00 0.00 C ATOM 923 O GLU A 61 -0.699 13.010 5.910 1.00 0.00 O ATOM 924 CB GLU A 61 -1.403 14.110 8.940 1.00 0.00 C ATOM 925 CG GLU A 61 -1.161 14.890 10.222 1.00 0.00 C ATOM 926 CD GLU A 61 -0.214 14.176 11.167 1.00 0.00 C ATOM 927 OE1 GLU A 61 0.809 13.642 10.690 1.00 0.00 O ATOM 928 OE2 GLU A 61 -0.494 14.153 12.384 1.00 0.00 O ATOM 0 H GLU A 61 -1.347 15.234 6.184 1.00 0.00 H new ATOM 0 HA GLU A 61 0.570 14.681 8.307 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.399 14.345 8.564 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.391 13.044 9.166 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.752 15.870 9.975 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.113 15.059 10.726 1.00 0.00 H new ATOM 935 N VAL A 62 0.668 12.234 7.519 1.00 0.00 N ATOM 936 CA VAL A 62 0.969 10.992 6.817 1.00 0.00 C ATOM 937 C VAL A 62 0.181 9.825 7.401 1.00 0.00 C ATOM 938 O VAL A 62 0.432 9.392 8.526 1.00 0.00 O ATOM 939 CB VAL A 62 2.473 10.662 6.879 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.771 9.384 6.109 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.294 11.824 6.339 1.00 0.00 C ATOM 0 H VAL A 62 1.133 12.332 8.422 1.00 0.00 H new ATOM 0 HA VAL A 62 0.679 11.139 5.777 1.00 0.00 H new ATOM 0 HB VAL A 62 2.751 10.503 7.921 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.838 9.167 6.164 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.209 8.558 6.544 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.480 9.511 5.066 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.354 11.575 6.390 1.00 0.00 H new ATOM 0 HG22 VAL A 62 3.015 12.016 5.303 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.101 12.715 6.937 1.00 0.00 H new ATOM 951 N LYS A 63 -0.775 9.319 6.630 1.00 0.00 N ATOM 952 CA LYS A 63 -1.601 8.200 7.069 1.00 0.00 C ATOM 953 C LYS A 63 -0.950 6.869 6.707 1.00 0.00 C ATOM 954 O LYS A 63 -0.204 6.776 5.732 1.00 0.00 O ATOM 955 CB LYS A 63 -2.992 8.289 6.437 1.00 0.00 C ATOM 956 CG LYS A 63 -3.579 9.689 6.452 1.00 0.00 C ATOM 957 CD LYS A 63 -3.985 10.109 7.854 1.00 0.00 C ATOM 958 CE LYS A 63 -5.148 11.090 7.828 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.484 11.588 9.191 1.00 0.00 N ATOM 0 H LYS A 63 -0.997 9.666 5.697 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.697 8.254 8.153 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -2.937 7.939 5.406 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.666 7.616 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -2.848 10.395 6.057 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.447 9.727 5.794 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -4.264 9.228 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -3.134 10.566 8.359 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -4.897 11.933 7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -6.022 10.606 7.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -6.281 12.254 9.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.748 10.786 9.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -4.658 12.073 9.597 1.00 0.00 H new ATOM 973 N HIS A 64 -1.240 5.840 7.497 1.00 0.00 N ATOM 974 CA HIS A 64 -0.684 4.513 7.258 1.00 0.00 C ATOM 975 C HIS A 64 -1.776 3.448 7.313 1.00 0.00 C ATOM 976 O HIS A 64 -2.243 3.080 8.392 1.00 0.00 O ATOM 977 CB HIS A 64 0.403 4.198 8.286 1.00 0.00 C ATOM 978 CG HIS A 64 1.581 5.120 8.213 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.627 4.936 7.333 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.875 6.238 8.916 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.513 5.901 7.498 1.00 0.00 C ATOM 982 NE2 HIS A 64 3.081 6.705 8.454 1.00 0.00 N ATOM 0 H HIS A 64 -1.856 5.900 8.308 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.243 4.506 6.261 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.028 4.251 9.286 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.744 3.173 8.139 1.00 0.00 H new ATOM 0 HD2 HIS A 64 1.273 6.681 9.696 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.434 6.014 6.946 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.564 7.537 8.793 1.00 0.00 H new ATOM 991 N ILE A 65 -2.180 2.960 6.145 1.00 0.00 N ATOM 992 CA ILE A 65 -3.216 1.940 6.061 1.00 0.00 C ATOM 993 C ILE A 65 -2.619 0.540 6.165 1.00 0.00 C ATOM 994 O ILE A 65 -1.553 0.264 5.614 1.00 0.00 O ATOM 995 CB ILE A 65 -4.010 2.050 4.746 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.650 3.434 4.626 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.071 0.962 4.674 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.021 3.807 3.207 1.00 0.00 C ATOM 0 H ILE A 65 -1.805 3.255 5.244 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.892 2.108 6.899 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.322 1.914 3.911 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.545 3.467 5.248 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -3.960 4.180 5.021 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -5.623 1.054 3.739 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -4.593 -0.016 4.718 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -5.758 1.068 5.513 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.469 4.800 3.197 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.126 3.807 2.585 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -5.735 3.083 2.815 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.313 -0.342 6.876 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.854 -1.715 7.051 1.00 0.00 C ATOM 1012 C LYS A 66 -3.677 -2.676 6.199 1.00 0.00 C ATOM 1013 O LYS A 66 -4.899 -2.749 6.330 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.945 -2.120 8.525 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.297 -1.833 9.154 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.373 -2.362 10.576 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.815 -2.550 11.023 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.902 -3.278 12.320 1.00 0.00 N ATOM 0 H LYS A 66 -4.196 -0.130 7.341 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.814 -1.769 6.728 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.731 -3.185 8.614 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -2.174 -1.592 9.086 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.479 -0.758 9.154 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -5.083 -2.289 8.553 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.844 -3.313 10.641 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.869 -1.670 11.251 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -6.295 -1.576 11.120 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.363 -3.101 10.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.900 -3.386 12.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.466 -4.217 12.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.400 -2.739 13.055 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.998 -3.414 5.325 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.665 -4.373 4.453 1.00 0.00 C ATOM 1034 C VAL A 67 -3.922 -5.689 5.178 1.00 0.00 C ATOM 1035 O VAL A 67 -3.304 -5.978 6.204 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.835 -4.651 3.186 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.614 -5.531 2.219 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.426 -3.345 2.521 1.00 0.00 C ATOM 0 H VAL A 67 -1.987 -3.365 5.203 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.618 -3.929 4.164 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.929 -5.184 3.475 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.011 -5.717 1.330 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.852 -6.479 2.701 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.538 -5.028 1.933 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -1.840 -3.560 1.627 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.318 -2.783 2.244 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -1.827 -2.756 3.215 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.839 -6.487 4.639 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.177 -7.775 5.232 1.00 0.00 C ATOM 1050 C VAL A 68 -5.298 -8.857 4.166 1.00 0.00 C ATOM 1051 O VAL A 68 -5.968 -8.669 3.151 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.497 -7.698 6.023 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -7.037 -9.094 6.297 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -6.296 -6.932 7.322 1.00 0.00 C ATOM 0 H VAL A 68 -5.361 -6.263 3.792 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.367 -8.032 5.914 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.230 -7.161 5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.970 -9.020 6.857 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.220 -9.605 5.352 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.308 -9.658 6.879 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -7.239 -6.887 7.868 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.548 -7.439 7.931 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.958 -5.920 7.099 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.645 -9.991 4.405 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.680 -11.103 3.463 1.00 0.00 C ATOM 1066 C GLU A 69 -5.438 -12.291 4.051 1.00 0.00 C ATOM 1067 O GLU A 69 -4.918 -13.015 4.901 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.259 -11.527 3.087 1.00 0.00 C ATOM 1069 CG GLU A 69 -2.639 -10.674 1.993 1.00 0.00 C ATOM 1070 CD GLU A 69 -1.130 -10.575 2.114 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -0.624 -10.621 3.255 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -0.458 -10.452 1.070 1.00 0.00 O ATOM 0 H GLU A 69 -4.087 -10.163 5.241 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.201 -10.769 2.566 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.628 -11.480 3.974 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.273 -12.567 2.761 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -2.895 -11.095 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.069 -9.673 2.030 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.670 -12.484 3.594 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.500 -13.583 4.073 1.00 0.00 C ATOM 1081 C LYS A 70 -8.314 -14.187 2.933 1.00 0.00 C ATOM 1082 O LYS A 70 -8.678 -13.495 1.982 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.438 -13.096 5.180 1.00 0.00 C ATOM 1084 CG LYS A 70 -9.305 -14.195 5.770 1.00 0.00 C ATOM 1085 CD LYS A 70 -10.021 -13.725 7.026 1.00 0.00 C ATOM 1086 CE LYS A 70 -11.124 -12.731 6.700 1.00 0.00 C ATOM 1087 NZ LYS A 70 -10.620 -11.330 6.680 1.00 0.00 N ATOM 0 H LYS A 70 -7.116 -11.894 2.892 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.842 -14.353 4.475 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.844 -12.646 5.976 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.082 -12.312 4.781 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -10.038 -14.518 5.031 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -8.687 -15.061 6.005 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.446 -14.583 7.547 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -9.303 -13.264 7.704 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -11.558 -12.975 5.730 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.922 -12.819 7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.117 -10.772 7.403 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.599 -11.325 6.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.791 -10.913 5.743 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.597 -15.481 3.035 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.370 -16.178 2.014 1.00 0.00 C ATOM 1103 C ASP A 71 -8.704 -16.050 0.647 1.00 0.00 C ATOM 1104 O ASP A 71 -9.379 -15.987 -0.380 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.794 -15.623 1.954 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.722 -16.495 1.132 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.747 -16.331 -0.106 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.422 -17.341 1.726 1.00 0.00 O ATOM 0 H ASP A 71 -8.302 -16.069 3.815 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.411 -17.234 2.282 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.188 -15.532 2.966 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -10.772 -14.620 1.529 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.375 -16.012 0.643 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.618 -15.891 -0.597 1.00 0.00 C ATOM 1115 C ASN A 72 -6.962 -14.591 -1.320 1.00 0.00 C ATOM 1116 O ASN A 72 -7.032 -14.553 -2.547 1.00 0.00 O ATOM 1117 CB ASN A 72 -6.900 -17.086 -1.510 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.679 -18.413 -0.812 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.892 -18.507 0.130 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -7.375 -19.447 -1.271 1.00 0.00 N ATOM 0 H ASN A 72 -6.801 -16.063 1.484 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.557 -15.877 -0.346 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -7.929 -17.033 -1.866 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.256 -17.029 -2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -7.268 -20.365 -0.840 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.016 -19.323 -2.054 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.175 -13.532 -0.548 1.00 0.00 N ATOM 1128 CA TRP A 73 -7.511 -12.230 -1.115 1.00 0.00 C ATOM 1129 C TRP A 73 -6.844 -11.106 -0.330 1.00 0.00 C ATOM 1130 O TRP A 73 -6.243 -11.342 0.718 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.027 -12.031 -1.125 1.00 0.00 C ATOM 1132 CG TRP A 73 -9.767 -13.137 -1.816 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -10.766 -13.907 -1.293 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -9.565 -13.595 -3.157 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.197 -14.817 -2.228 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -10.475 -14.646 -3.380 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -8.703 -13.219 -4.192 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -10.548 -15.323 -4.595 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -8.776 -13.892 -5.396 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -9.693 -14.934 -5.591 1.00 0.00 C ATOM 0 H TRP A 73 -7.121 -13.548 0.470 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.141 -12.202 -2.140 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.383 -11.952 -0.098 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.259 -11.086 -1.616 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.160 -13.814 -0.292 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -11.934 -15.508 -2.087 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -7.993 -12.417 -4.052 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.254 -16.126 -4.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -8.114 -13.610 -6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -9.726 -15.439 -6.545 1.00 0.00 H new ATOM 1151 N ILE A 74 -6.952 -9.886 -0.844 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.360 -8.726 -0.189 1.00 0.00 C ATOM 1153 C ILE A 74 -7.349 -7.567 -0.125 1.00 0.00 C ATOM 1154 O ILE A 74 -8.048 -7.278 -1.096 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.085 -8.259 -0.917 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -3.877 -9.070 -0.445 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -4.856 -6.773 -0.683 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -2.801 -9.220 -1.499 1.00 0.00 C ATOM 0 H ILE A 74 -7.444 -9.675 -1.712 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.099 -9.034 0.823 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.214 -8.423 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.448 -8.590 0.435 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.212 -10.060 -0.136 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -3.952 -6.458 -1.204 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.708 -6.209 -1.063 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -4.744 -6.586 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -1.975 -9.806 -1.095 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.214 -9.728 -2.371 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -2.438 -8.235 -1.791 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.400 -6.904 1.026 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.302 -5.773 1.217 1.00 0.00 C ATOM 1172 C HIS A 75 -7.970 -5.026 2.506 1.00 0.00 C ATOM 1173 O HIS A 75 -6.991 -5.341 3.183 1.00 0.00 O ATOM 1174 CB HIS A 75 -9.753 -6.251 1.250 1.00 0.00 C ATOM 1175 CG HIS A 75 -10.015 -7.302 2.285 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -10.268 -7.007 3.609 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.064 -8.650 2.185 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -10.459 -8.130 4.278 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.342 -9.142 3.438 1.00 0.00 N ATOM 0 H HIS A 75 -6.828 -7.130 1.840 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.172 -5.090 0.378 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.404 -5.397 1.438 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.020 -6.645 0.269 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -9.913 -9.232 1.288 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -10.674 -8.207 5.333 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.442 -10.128 3.680 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.792 -4.036 2.839 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.586 -3.246 4.045 1.00 0.00 C ATOM 1190 C ILE A 76 -9.906 -2.989 4.767 1.00 0.00 C ATOM 1191 O ILE A 76 -10.943 -2.787 4.133 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.917 -1.896 3.727 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.767 -1.102 2.732 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.516 -2.116 3.177 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.331 0.338 2.577 1.00 0.00 C ATOM 0 H ILE A 76 -9.607 -3.763 2.290 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.927 -3.825 4.692 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.838 -1.320 4.649 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.725 -1.592 1.759 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.807 -1.125 3.056 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.056 -1.153 2.957 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.914 -2.645 3.916 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.573 -2.708 2.264 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -8.978 0.839 1.857 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.399 0.845 3.540 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.301 0.370 2.223 1.00 0.00 H new ATOM 1207 N THR A 77 -9.858 -2.996 6.095 1.00 0.00 N ATOM 1208 CA THR A 77 -11.049 -2.763 6.903 1.00 0.00 C ATOM 1209 C THR A 77 -12.241 -3.547 6.365 1.00 0.00 C ATOM 1210 O THR A 77 -13.392 -3.163 6.573 1.00 0.00 O ATOM 1211 CB THR A 77 -11.412 -1.267 6.949 1.00 0.00 C ATOM 1212 OG1 THR A 77 -12.406 -1.034 7.954 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.929 -0.793 5.599 1.00 0.00 C ATOM 0 H THR A 77 -9.008 -3.160 6.634 1.00 0.00 H new ATOM 0 HA THR A 77 -10.818 -3.105 7.912 1.00 0.00 H new ATOM 0 HB THR A 77 -10.510 -0.705 7.193 1.00 0.00 H new ATOM 0 HG1 THR A 77 -13.130 -1.687 7.855 1.00 0.00 H new ATOM 0 HG21 THR A 77 -12.179 0.266 5.657 1.00 0.00 H new ATOM 0 HG22 THR A 77 -11.160 -0.944 4.841 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.819 -1.362 5.330 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.956 -4.646 5.673 1.00 0.00 N ATOM 1222 CA GLU A 78 -13.007 -5.484 5.105 1.00 0.00 C ATOM 1223 C GLU A 78 -14.031 -4.637 4.355 1.00 0.00 C ATOM 1224 O GLU A 78 -15.238 -4.837 4.494 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.700 -6.287 6.208 1.00 0.00 C ATOM 1226 CG GLU A 78 -12.761 -7.195 6.982 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.435 -7.857 8.168 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -14.415 -8.602 7.954 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -12.983 -7.632 9.310 1.00 0.00 O ATOM 0 H GLU A 78 -11.008 -4.977 5.492 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.546 -6.174 4.399 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.178 -5.596 6.903 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.491 -6.891 5.764 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -12.372 -7.964 6.314 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -11.907 -6.615 7.331 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.541 -3.691 3.561 1.00 0.00 N ATOM 1237 CA ALA A 79 -14.413 -2.815 2.788 1.00 0.00 C ATOM 1238 C ALA A 79 -14.729 -3.420 1.424 1.00 0.00 C ATOM 1239 O ALA A 79 -15.818 -3.228 0.885 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.773 -1.444 2.624 1.00 0.00 C ATOM 0 H ALA A 79 -12.545 -3.511 3.436 1.00 0.00 H new ATOM 0 HA ALA A 79 -15.350 -2.703 3.333 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -14.435 -0.800 2.045 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -13.604 -1.001 3.606 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.821 -1.547 2.104 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.767 -4.152 0.870 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.942 -4.786 -0.432 1.00 0.00 C ATOM 1248 C LYS A 80 -12.805 -5.762 -0.718 1.00 0.00 C ATOM 1249 O LYS A 80 -11.632 -5.391 -0.686 1.00 0.00 O ATOM 1250 CB LYS A 80 -14.008 -3.727 -1.534 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.959 -4.304 -2.938 1.00 0.00 C ATOM 1252 CD LYS A 80 -15.345 -4.674 -3.437 1.00 0.00 C ATOM 1253 CE LYS A 80 -16.109 -3.451 -3.919 1.00 0.00 C ATOM 1254 NZ LYS A 80 -17.582 -3.627 -3.782 1.00 0.00 N ATOM 0 H LYS A 80 -12.859 -4.321 1.302 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.880 -5.342 -0.415 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.927 -3.152 -1.419 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -13.179 -3.031 -1.407 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -13.509 -3.578 -3.615 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -13.320 -5.187 -2.947 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.260 -5.395 -4.250 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.903 -5.161 -2.637 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.793 -2.577 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -15.862 -3.257 -4.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -18.067 -2.772 -4.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.888 -4.445 -4.346 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.821 -3.787 -2.783 1.00 0.00 H new ATOM 1268 N LYS A 81 -13.161 -7.011 -1.000 1.00 0.00 N ATOM 1269 CA LYS A 81 -12.171 -8.041 -1.295 1.00 0.00 C ATOM 1270 C LYS A 81 -11.667 -7.915 -2.729 1.00 0.00 C ATOM 1271 O LYS A 81 -12.452 -7.941 -3.678 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.771 -9.431 -1.073 1.00 0.00 C ATOM 1273 CG LYS A 81 -12.962 -9.784 0.391 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.285 -9.258 0.923 1.00 0.00 C ATOM 1275 CE LYS A 81 -14.366 -9.382 2.437 1.00 0.00 C ATOM 1276 NZ LYS A 81 -14.345 -10.804 2.879 1.00 0.00 N ATOM 0 H LYS A 81 -14.128 -7.335 -1.031 1.00 0.00 H new ATOM 0 HA LYS A 81 -11.327 -7.904 -0.619 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.734 -9.487 -1.580 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -12.123 -10.175 -1.536 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.924 -10.866 0.513 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.142 -9.368 0.977 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.404 -8.213 0.636 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -15.107 -9.810 0.467 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.531 -8.848 2.890 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.279 -8.905 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.453 -10.848 3.912 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.127 -11.320 2.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.440 -11.239 2.607 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.354 -7.782 -2.880 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.746 -7.653 -4.199 1.00 0.00 C ATOM 1292 C PHE A 82 -8.880 -8.868 -4.519 1.00 0.00 C ATOM 1293 O PHE A 82 -8.438 -9.583 -3.620 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.902 -6.378 -4.274 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.719 -5.130 -4.455 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.415 -4.906 -5.631 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.789 -4.180 -3.449 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -11.165 -3.759 -5.801 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.539 -3.030 -3.612 1.00 0.00 C ATOM 1300 CZ PHE A 82 -11.229 -2.820 -4.790 1.00 0.00 C ATOM 0 H PHE A 82 -9.690 -7.761 -2.106 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.547 -7.594 -4.936 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -8.312 -6.288 -3.362 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -8.198 -6.466 -5.102 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.371 -5.637 -6.425 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -9.251 -4.340 -2.526 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.701 -3.596 -6.724 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -10.585 -2.297 -2.820 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.817 -1.924 -4.920 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.643 -9.095 -5.807 1.00 0.00 N ATOM 1311 CA ASP A 83 -7.830 -10.223 -6.247 1.00 0.00 C ATOM 1312 C ASP A 83 -6.422 -10.138 -5.665 1.00 0.00 C ATOM 1313 O ASP A 83 -5.771 -11.157 -5.438 1.00 0.00 O ATOM 1314 CB ASP A 83 -7.762 -10.264 -7.774 1.00 0.00 C ATOM 1315 CG ASP A 83 -6.783 -11.305 -8.282 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -6.592 -12.328 -7.591 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -6.209 -11.097 -9.372 1.00 0.00 O ATOM 0 H ASP A 83 -9.002 -8.513 -6.564 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.298 -11.139 -5.887 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -8.754 -10.476 -8.173 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -7.471 -9.283 -8.148 1.00 0.00 H new ATOM 1322 N SER A 84 -5.958 -8.915 -5.428 1.00 0.00 N ATOM 1323 CA SER A 84 -4.625 -8.696 -4.878 1.00 0.00 C ATOM 1324 C SER A 84 -4.413 -7.224 -4.539 1.00 0.00 C ATOM 1325 O SER A 84 -5.321 -6.405 -4.680 1.00 0.00 O ATOM 1326 CB SER A 84 -3.558 -9.161 -5.870 1.00 0.00 C ATOM 1327 OG SER A 84 -3.347 -10.560 -5.772 1.00 0.00 O ATOM 0 H SER A 84 -6.485 -8.061 -5.608 1.00 0.00 H new ATOM 0 HA SER A 84 -4.537 -9.279 -3.961 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.864 -8.906 -6.885 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.623 -8.634 -5.677 1.00 0.00 H new ATOM 0 HG SER A 84 -4.114 -10.976 -5.326 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.207 -6.896 -4.089 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.873 -5.522 -3.728 1.00 0.00 C ATOM 1335 C LEU A 85 -3.022 -4.592 -4.928 1.00 0.00 C ATOM 1336 O LEU A 85 -3.681 -3.554 -4.845 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.444 -5.450 -3.186 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.909 -4.048 -2.890 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.508 -3.510 -1.598 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.610 -4.063 -2.808 1.00 0.00 C ATOM 0 H LEU A 85 -2.444 -7.562 -3.965 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.566 -5.197 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.394 -6.037 -2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.779 -5.927 -3.906 1.00 0.00 H new ATOM 0 HG LEU A 85 -1.203 -3.388 -3.706 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.116 -2.512 -1.403 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.593 -3.462 -1.692 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.245 -4.171 -0.772 1.00 0.00 H new ATOM 0 HD21 LEU A 85 0.973 -3.057 -2.597 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.925 -4.737 -2.011 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.022 -4.406 -3.757 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.408 -4.972 -6.043 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.475 -4.173 -7.262 1.00 0.00 C ATOM 1354 C LEU A 86 -3.896 -3.683 -7.516 1.00 0.00 C ATOM 1355 O LEU A 86 -4.130 -2.486 -7.678 1.00 0.00 O ATOM 1356 CB LEU A 86 -1.984 -4.991 -8.458 1.00 0.00 C ATOM 1357 CG LEU A 86 -1.842 -4.231 -9.778 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -0.961 -3.005 -9.597 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.277 -5.141 -10.859 1.00 0.00 C ATOM 0 H LEU A 86 -1.859 -5.827 -6.128 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.829 -3.304 -7.133 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.016 -5.423 -8.204 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.673 -5.821 -8.612 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.832 -3.898 -10.091 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.872 -2.478 -10.547 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.407 -2.343 -8.855 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.028 -3.314 -9.260 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.183 -4.584 -11.791 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.296 -5.504 -10.553 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.947 -5.988 -11.009 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.842 -4.616 -7.547 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.241 -4.279 -7.779 1.00 0.00 C ATOM 1373 C GLU A 87 -6.721 -3.231 -6.778 1.00 0.00 C ATOM 1374 O GLU A 87 -7.355 -2.243 -7.153 1.00 0.00 O ATOM 1375 CB GLU A 87 -7.114 -5.531 -7.680 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.292 -6.256 -9.004 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.389 -7.301 -8.956 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.223 -7.243 -8.028 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.413 -8.177 -9.846 1.00 0.00 O ATOM 0 H GLU A 87 -4.665 -5.612 -7.414 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.326 -3.864 -8.783 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.671 -6.216 -6.957 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -8.094 -5.251 -7.294 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.522 -5.529 -9.783 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.352 -6.734 -9.281 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.414 -3.453 -5.505 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.814 -2.529 -4.450 1.00 0.00 C ATOM 1388 C LEU A 88 -6.249 -1.135 -4.703 1.00 0.00 C ATOM 1389 O LEU A 88 -6.926 -0.131 -4.485 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.342 -3.044 -3.088 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.693 -2.172 -1.883 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.861 -3.027 -0.636 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.625 -1.110 -1.664 1.00 0.00 C ATOM 0 H LEU A 88 -5.890 -4.265 -5.178 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.902 -2.465 -4.451 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.767 -4.035 -2.930 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.259 -3.163 -3.122 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.640 -1.671 -2.085 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.111 -2.389 0.212 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.662 -3.749 -0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.931 -3.557 -0.430 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.891 -0.498 -0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.664 -1.592 -1.484 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.554 -0.478 -2.549 1.00 0.00 H new ATOM 1405 N VAL A 89 -5.004 -1.082 -5.166 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.349 0.188 -5.453 1.00 0.00 C ATOM 1407 C VAL A 89 -4.983 0.874 -6.657 1.00 0.00 C ATOM 1408 O VAL A 89 -5.388 2.034 -6.580 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.844 -0.005 -5.720 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.165 1.337 -5.942 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -2.191 -0.758 -4.569 1.00 0.00 C ATOM 0 H VAL A 89 -4.429 -1.904 -5.350 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.477 0.816 -4.572 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.727 -0.599 -6.626 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -1.103 1.181 -6.129 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.615 1.835 -6.801 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.290 1.959 -5.056 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -1.128 -0.886 -4.774 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.317 -0.192 -3.646 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.660 -1.736 -4.462 1.00 0.00 H new ATOM 1421 N GLU A 90 -5.067 0.150 -7.768 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.653 0.690 -8.990 1.00 0.00 C ATOM 1423 C GLU A 90 -7.085 1.157 -8.746 1.00 0.00 C ATOM 1424 O GLU A 90 -7.577 2.062 -9.420 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.631 -0.361 -10.101 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.233 -0.687 -10.602 1.00 0.00 C ATOM 1427 CD GLU A 90 -4.220 -1.116 -12.056 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -5.163 -1.818 -12.477 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.266 -0.747 -12.774 1.00 0.00 O ATOM 0 H GLU A 90 -4.737 -0.812 -7.848 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.056 1.548 -9.300 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.099 -1.275 -9.735 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.234 -0.007 -10.937 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.594 0.187 -10.479 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.807 -1.481 -9.989 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.748 0.535 -7.777 1.00 0.00 N ATOM 1437 CA TYR A 91 -9.123 0.884 -7.446 1.00 0.00 C ATOM 1438 C TYR A 91 -9.202 2.289 -6.856 1.00 0.00 C ATOM 1439 O TYR A 91 -9.971 3.128 -7.325 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.704 -0.129 -6.457 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.120 0.187 -6.029 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -12.205 -0.212 -6.799 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.371 0.885 -4.853 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.500 0.075 -6.411 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -12.663 1.176 -4.458 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.723 0.769 -5.239 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.011 1.056 -4.849 1.00 0.00 O ATOM 0 H TYR A 91 -7.354 -0.214 -7.207 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.708 0.862 -8.366 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.683 -1.120 -6.910 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.067 -0.169 -5.574 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -12.034 -0.756 -7.716 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.543 1.205 -4.238 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -14.333 -0.242 -7.021 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -12.841 1.720 -3.542 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.006 1.830 -4.248 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.400 2.537 -5.826 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.379 3.840 -5.171 1.00 0.00 C ATOM 1459 C TYR A 92 -7.732 4.891 -6.068 1.00 0.00 C ATOM 1460 O TYR A 92 -8.050 6.076 -5.982 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.626 3.753 -3.843 1.00 0.00 C ATOM 1462 CG TYR A 92 -8.354 2.956 -2.785 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.626 3.323 -2.364 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.770 1.836 -2.206 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -10.295 2.599 -1.397 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -8.432 1.104 -1.239 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.694 1.490 -0.837 1.00 0.00 C ATOM 1468 OH TYR A 92 -10.359 0.764 0.126 1.00 0.00 O ATOM 0 H TYR A 92 -7.756 1.854 -5.427 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.409 4.139 -4.978 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.649 3.302 -4.018 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.449 4.761 -3.469 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -10.100 4.190 -2.801 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.781 1.532 -2.517 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.283 2.899 -1.081 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.964 0.235 -0.800 1.00 0.00 H new ATOM 0 HH TYR A 92 -10.080 -0.174 0.079 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.821 4.446 -6.928 1.00 0.00 N ATOM 1479 CA GLN A 93 -6.129 5.347 -7.841 1.00 0.00 C ATOM 1480 C GLN A 93 -7.112 6.293 -8.523 1.00 0.00 C ATOM 1481 O GLN A 93 -6.744 7.393 -8.937 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.359 4.547 -8.895 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.977 4.112 -8.437 1.00 0.00 C ATOM 1484 CD GLN A 93 -3.301 3.181 -9.426 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -3.805 2.956 -10.526 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -2.154 2.637 -9.038 1.00 0.00 N ATOM 0 H GLN A 93 -6.545 3.467 -7.011 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.425 5.942 -7.259 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.938 3.664 -9.164 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -5.261 5.151 -9.797 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.353 4.993 -8.289 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -4.059 3.613 -7.471 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.773 2.852 -8.116 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.653 2.004 -9.661 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.362 5.858 -8.635 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.399 6.667 -9.267 1.00 0.00 C ATOM 1497 C CYS A 94 -10.530 6.961 -8.288 1.00 0.00 C ATOM 1498 O CYS A 94 -11.179 8.006 -8.369 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.949 5.952 -10.502 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.748 5.759 -11.840 1.00 0.00 S ATOM 0 H CYS A 94 -8.682 4.951 -8.297 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.953 7.613 -9.573 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -10.310 4.967 -10.207 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.809 6.507 -10.877 1.00 0.00 H new ATOM 0 HG CYS A 94 -9.306 5.142 -12.839 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.765 6.034 -7.365 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.819 6.194 -6.370 1.00 0.00 C ATOM 1508 C HIS A 95 -11.245 6.674 -5.042 1.00 0.00 C ATOM 1509 O HIS A 95 -10.316 6.073 -4.502 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.565 4.874 -6.171 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.574 4.001 -7.388 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.420 2.632 -7.333 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.723 4.310 -8.697 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.471 2.136 -8.556 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.655 3.134 -9.403 1.00 0.00 N ATOM 0 H HIS A 95 -10.239 5.164 -7.285 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.518 6.946 -6.735 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -12.107 4.328 -5.346 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.593 5.088 -5.880 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.287 2.087 -6.481 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.868 5.297 -9.110 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.378 1.093 -8.819 1.00 0.00 H new ATOM 1524 N SER A 96 -11.804 7.760 -4.518 1.00 0.00 N ATOM 1525 CA SER A 96 -11.344 8.323 -3.254 1.00 0.00 C ATOM 1526 C SER A 96 -11.327 7.260 -2.160 1.00 0.00 C ATOM 1527 O SER A 96 -12.055 6.269 -2.229 1.00 0.00 O ATOM 1528 CB SER A 96 -12.243 9.488 -2.834 1.00 0.00 C ATOM 1529 OG SER A 96 -11.534 10.412 -2.023 1.00 0.00 O ATOM 0 H SER A 96 -12.576 8.268 -4.949 1.00 0.00 H new ATOM 0 HA SER A 96 -10.327 8.690 -3.396 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.625 9.995 -3.720 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.106 9.107 -2.288 1.00 0.00 H new ATOM 0 HG SER A 96 -11.788 11.326 -2.270 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.490 7.472 -1.151 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.376 6.533 -0.041 1.00 0.00 C ATOM 1537 C LEU A 97 -11.424 6.824 1.029 1.00 0.00 C ATOM 1538 O LEU A 97 -11.384 6.261 2.123 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.975 6.603 0.570 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.915 5.712 -0.079 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.531 6.319 0.090 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.961 4.310 0.512 1.00 0.00 C ATOM 0 H LEU A 97 -9.880 8.286 -1.079 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.548 5.529 -0.428 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.631 7.636 0.523 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.047 6.339 1.625 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.131 5.642 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.790 5.671 -0.378 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.504 7.301 -0.382 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.305 6.421 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.200 3.690 0.038 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.772 4.361 1.584 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.944 3.874 0.337 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.362 7.707 0.705 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.425 8.072 1.636 1.00 0.00 C ATOM 1556 C LYS A 98 -14.305 6.868 1.954 1.00 0.00 C ATOM 1557 O LYS A 98 -14.763 6.705 3.085 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.277 9.201 1.052 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.456 8.709 0.229 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.363 9.856 -0.184 1.00 0.00 C ATOM 1561 CE LYS A 98 -17.297 9.449 -1.314 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.576 8.883 -0.801 1.00 0.00 N ATOM 0 H LYS A 98 -12.408 8.184 -0.195 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.962 8.416 2.561 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.647 9.824 1.866 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.647 9.834 0.427 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -15.091 8.194 -0.660 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -16.027 7.982 0.807 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -16.950 10.184 0.674 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.757 10.705 -0.500 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.509 10.316 -1.940 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.802 8.712 -1.947 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -19.184 8.618 -1.602 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -18.376 8.041 -0.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -19.061 9.594 -0.218 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.537 6.027 0.951 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.362 4.838 1.126 1.00 0.00 C ATOM 1578 C GLU A 99 -14.924 4.049 2.358 1.00 0.00 C ATOM 1579 O GLU A 99 -15.751 3.644 3.175 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.286 3.949 -0.117 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.967 4.549 -1.336 1.00 0.00 C ATOM 1582 CD GLU A 99 -16.445 3.494 -2.314 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -15.594 2.893 -3.001 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.672 3.271 -2.393 1.00 0.00 O ATOM 0 H GLU A 99 -14.165 6.147 0.009 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.393 5.160 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.239 3.758 -0.353 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.744 2.985 0.107 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -16.816 5.152 -1.014 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.273 5.220 -1.842 1.00 0.00 H new ATOM 1591 N SER A 100 -13.619 3.834 2.481 1.00 0.00 N ATOM 1592 CA SER A 100 -13.070 3.090 3.609 1.00 0.00 C ATOM 1593 C SER A 100 -12.972 3.974 4.847 1.00 0.00 C ATOM 1594 O SER A 100 -13.462 3.618 5.920 1.00 0.00 O ATOM 1595 CB SER A 100 -11.691 2.530 3.256 1.00 0.00 C ATOM 1596 OG SER A 100 -11.006 2.092 4.416 1.00 0.00 O ATOM 0 H SER A 100 -12.922 4.164 1.814 1.00 0.00 H new ATOM 0 HA SER A 100 -13.744 2.262 3.829 1.00 0.00 H new ATOM 0 HB2 SER A 100 -11.800 1.699 2.559 1.00 0.00 H new ATOM 0 HB3 SER A 100 -11.103 3.296 2.750 1.00 0.00 H new ATOM 0 HG SER A 100 -10.221 2.659 4.566 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.335 5.130 4.693 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.171 6.067 5.798 1.00 0.00 C ATOM 1604 C PHE A 101 -12.841 7.402 5.484 1.00 0.00 C ATOM 1605 O PHE A 101 -12.359 8.172 4.654 1.00 0.00 O ATOM 1606 CB PHE A 101 -10.685 6.286 6.091 1.00 0.00 C ATOM 1607 CG PHE A 101 -9.957 5.028 6.471 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.970 4.573 7.780 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -9.262 4.300 5.520 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.300 3.417 8.133 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -8.591 3.142 5.866 1.00 0.00 C ATOM 1612 CZ PHE A 101 -8.611 2.700 7.174 1.00 0.00 C ATOM 0 H PHE A 101 -11.924 5.441 3.813 1.00 0.00 H new ATOM 0 HA PHE A 101 -12.650 5.639 6.679 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.210 6.720 5.211 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -10.585 7.012 6.898 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -10.510 5.128 8.533 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -9.244 4.641 4.495 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -9.315 3.075 9.157 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -8.052 2.584 5.115 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.089 1.795 7.447 1.00 0.00 H new ATOM 1622 N LYS A 102 -13.957 7.669 6.154 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.695 8.909 5.948 1.00 0.00 C ATOM 1624 C LYS A 102 -13.802 10.120 6.195 1.00 0.00 C ATOM 1625 O LYS A 102 -14.085 11.218 5.718 1.00 0.00 O ATOM 1626 CB LYS A 102 -15.912 8.961 6.876 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.587 8.645 8.324 1.00 0.00 C ATOM 1628 CD LYS A 102 -16.781 8.890 9.230 1.00 0.00 C ATOM 1629 CE LYS A 102 -16.864 10.347 9.661 1.00 0.00 C ATOM 1630 NZ LYS A 102 -17.970 10.577 10.631 1.00 0.00 N ATOM 0 H LYS A 102 -14.370 7.043 6.845 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.034 8.935 4.912 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.358 9.954 6.821 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.661 8.255 6.518 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.273 7.605 8.408 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -14.748 9.259 8.652 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -17.697 8.611 8.710 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -16.708 8.252 10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.918 10.647 10.112 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -17.013 10.977 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.993 11.581 10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -18.876 10.315 10.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.815 9.995 11.479 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.722 9.911 6.943 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.788 10.987 7.252 1.00 0.00 C ATOM 1646 C GLN A 103 -10.743 11.134 6.150 1.00 0.00 C ATOM 1647 O GLN A 103 -10.119 12.186 6.009 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.100 10.725 8.592 1.00 0.00 C ATOM 1649 CG GLN A 103 -10.693 9.274 8.794 1.00 0.00 C ATOM 1650 CD GLN A 103 -9.730 9.093 9.950 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -9.416 10.044 10.666 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -9.254 7.868 10.137 1.00 0.00 N ATOM 0 H GLN A 103 -12.473 9.007 7.345 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.353 11.917 7.318 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -10.214 11.356 8.665 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -11.770 11.021 9.399 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -11.584 8.672 8.971 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -10.232 8.900 7.880 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -9.542 7.109 9.519 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -8.601 7.686 10.899 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.558 10.073 5.373 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.587 10.082 4.284 1.00 0.00 C ATOM 1663 C LEU A 104 -10.287 10.193 2.933 1.00 0.00 C ATOM 1664 O LEU A 104 -10.924 9.246 2.472 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.731 8.815 4.325 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.391 8.887 3.592 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.390 9.710 4.388 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -6.849 7.489 3.335 1.00 0.00 C ATOM 0 H LEU A 104 -11.067 9.195 5.476 1.00 0.00 H new ATOM 0 HA LEU A 104 -8.942 10.952 4.412 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.539 8.564 5.368 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.311 7.995 3.901 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.550 9.377 2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.443 9.750 3.851 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.774 10.721 4.521 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.235 9.250 5.364 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.895 7.559 2.813 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -6.706 6.974 4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.558 6.931 2.723 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.163 11.355 2.301 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.779 11.589 1.001 1.00 0.00 C ATOM 1682 C ASP A 105 -9.737 12.016 -0.027 1.00 0.00 C ATOM 1683 O ASP A 105 -9.406 13.197 -0.139 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.869 12.657 1.113 1.00 0.00 C ATOM 1685 CG ASP A 105 -12.722 12.748 -0.136 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.345 13.502 -1.057 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -13.767 12.066 -0.194 1.00 0.00 O ATOM 0 H ASP A 105 -9.641 12.150 2.669 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.229 10.654 0.668 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.506 12.433 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -11.406 13.625 1.305 1.00 0.00 H new ATOM 1692 N THR A 106 -9.220 11.047 -0.776 1.00 0.00 N ATOM 1693 CA THR A 106 -8.213 11.322 -1.794 1.00 0.00 C ATOM 1694 C THR A 106 -7.915 10.077 -2.623 1.00 0.00 C ATOM 1695 O THR A 106 -8.260 8.961 -2.233 1.00 0.00 O ATOM 1696 CB THR A 106 -6.903 11.831 -1.164 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.970 12.183 -2.192 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.291 10.774 -0.257 1.00 0.00 C ATOM 0 H THR A 106 -9.482 10.064 -0.697 1.00 0.00 H new ATOM 0 HA THR A 106 -8.622 12.097 -2.442 1.00 0.00 H new ATOM 0 HB THR A 106 -7.133 12.712 -0.564 1.00 0.00 H new ATOM 0 HG1 THR A 106 -5.140 12.507 -1.784 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.367 11.157 0.176 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.992 10.530 0.541 1.00 0.00 H new ATOM 0 HG23 THR A 106 -6.075 9.877 -0.838 1.00 0.00 H new ATOM 1706 N THR A 107 -7.269 10.275 -3.767 1.00 0.00 N ATOM 1707 CA THR A 107 -6.925 9.169 -4.652 1.00 0.00 C ATOM 1708 C THR A 107 -5.455 9.222 -5.052 1.00 0.00 C ATOM 1709 O THR A 107 -4.902 10.299 -5.284 1.00 0.00 O ATOM 1710 CB THR A 107 -7.793 9.175 -5.925 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.754 10.469 -6.538 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.232 8.805 -5.600 1.00 0.00 C ATOM 0 H THR A 107 -6.973 11.192 -4.103 1.00 0.00 H new ATOM 0 HA THR A 107 -7.115 8.250 -4.097 1.00 0.00 H new ATOM 0 HB THR A 107 -7.391 8.434 -6.616 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.307 10.464 -7.347 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.826 8.816 -6.514 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.261 7.808 -5.160 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.642 9.526 -4.892 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.826 8.056 -5.133 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.418 7.969 -5.508 1.00 0.00 C ATOM 1722 C LEU A 108 -3.125 8.839 -6.725 1.00 0.00 C ATOM 1723 O LEU A 108 -3.352 8.431 -7.864 1.00 0.00 O ATOM 1724 CB LEU A 108 -3.036 6.517 -5.800 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.544 5.476 -4.803 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -2.931 4.115 -5.094 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.236 5.908 -3.377 1.00 0.00 C ATOM 0 H LEU A 108 -5.268 7.156 -4.944 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.821 8.333 -4.672 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.410 6.256 -6.790 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.949 6.450 -5.843 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.626 5.395 -4.911 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.304 3.386 -4.374 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.203 3.801 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.846 4.180 -5.015 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.605 5.155 -2.681 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.158 6.018 -3.255 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.724 6.861 -3.172 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.614 10.041 -6.477 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.285 10.969 -7.553 1.00 0.00 C ATOM 1741 C LYS A 109 -0.885 10.701 -8.093 1.00 0.00 C ATOM 1742 O LYS A 109 -0.723 10.221 -9.216 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.382 12.414 -7.055 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.770 13.015 -7.202 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.836 14.414 -6.614 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.240 14.994 -6.711 1.00 0.00 C ATOM 1747 NZ LYS A 109 -5.512 15.562 -8.060 1.00 0.00 N ATOM 0 H LYS A 109 -2.419 10.395 -5.541 1.00 0.00 H new ATOM 0 HA LYS A 109 -3.002 10.819 -8.360 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -2.089 12.448 -6.006 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.669 13.028 -7.605 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -4.043 13.049 -8.257 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.499 12.375 -6.705 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.524 14.386 -5.570 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.136 15.064 -7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.971 14.216 -6.490 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.365 15.772 -5.957 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.478 15.947 -8.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -4.831 16.322 -8.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -5.418 14.814 -8.777 1.00 0.00 H new ATOM 1761 N TYR A 110 0.125 11.012 -7.288 1.00 0.00 N ATOM 1762 CA TYR A 110 1.512 10.804 -7.686 1.00 0.00 C ATOM 1763 C TYR A 110 2.205 9.815 -6.753 1.00 0.00 C ATOM 1764 O TYR A 110 1.852 9.673 -5.583 1.00 0.00 O ATOM 1765 CB TYR A 110 2.268 12.134 -7.688 1.00 0.00 C ATOM 1766 CG TYR A 110 1.465 13.285 -8.250 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.476 13.568 -9.610 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.695 14.090 -7.419 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.744 14.620 -10.126 1.00 0.00 C ATOM 1770 CE2 TYR A 110 -0.041 15.143 -7.926 1.00 0.00 C ATOM 1771 CZ TYR A 110 -0.013 15.405 -9.281 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.744 16.452 -9.791 1.00 0.00 O ATOM 0 H TYR A 110 0.009 11.409 -6.356 1.00 0.00 H new ATOM 0 HA TYR A 110 1.516 10.389 -8.694 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.567 12.374 -6.668 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.183 12.022 -8.270 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.067 12.955 -10.275 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.672 13.889 -6.358 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.764 14.827 -11.186 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.635 15.758 -7.266 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.221 16.903 -9.063 1.00 0.00 H new ATOM 1782 N PRO A 111 3.217 9.112 -7.284 1.00 0.00 N ATOM 1783 CA PRO A 111 3.982 8.124 -6.519 1.00 0.00 C ATOM 1784 C PRO A 111 4.861 8.771 -5.453 1.00 0.00 C ATOM 1785 O PRO A 111 4.668 9.934 -5.098 1.00 0.00 O ATOM 1786 CB PRO A 111 4.846 7.443 -7.583 1.00 0.00 C ATOM 1787 CG PRO A 111 4.982 8.455 -8.666 1.00 0.00 C ATOM 1788 CD PRO A 111 3.693 9.229 -8.673 1.00 0.00 C ATOM 0 HA PRO A 111 3.333 7.438 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 111 5.819 7.160 -7.181 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.376 6.531 -7.950 1.00 0.00 H new ATOM 0 HG2 PRO A 111 5.831 9.113 -8.481 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.154 7.975 -9.629 1.00 0.00 H new ATOM 0 HD2 PRO A 111 3.851 10.269 -8.957 1.00 0.00 H new ATOM 0 HD3 PRO A 111 2.977 8.810 -9.380 1.00 0.00 H new ATOM 1796 N TYR A 112 5.824 8.010 -4.945 1.00 0.00 N ATOM 1797 CA TYR A 112 6.731 8.508 -3.919 1.00 0.00 C ATOM 1798 C TYR A 112 8.063 8.932 -4.527 1.00 0.00 C ATOM 1799 O TYR A 112 8.233 8.920 -5.747 1.00 0.00 O ATOM 1800 CB TYR A 112 6.964 7.438 -2.851 1.00 0.00 C ATOM 1801 CG TYR A 112 8.154 6.550 -3.132 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.123 5.619 -4.163 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.311 6.642 -2.368 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.209 4.805 -4.424 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.402 5.834 -2.622 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.346 4.917 -3.651 1.00 0.00 C ATOM 1807 OH TYR A 112 11.430 4.109 -3.906 1.00 0.00 O ATOM 0 H TYR A 112 5.996 7.045 -5.228 1.00 0.00 H new ATOM 0 HA TYR A 112 6.270 9.380 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.105 7.925 -1.886 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.071 6.819 -2.768 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.235 5.530 -4.771 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.358 7.358 -1.561 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.168 4.086 -5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.294 5.920 -2.019 1.00 0.00 H new ATOM 0 HH TYR A 112 12.148 4.315 -3.272 1.00 0.00 H new ATOM 1817 N SER A 113 9.006 9.308 -3.669 1.00 0.00 N ATOM 1818 CA SER A 113 10.324 9.739 -4.121 1.00 0.00 C ATOM 1819 C SER A 113 11.224 8.538 -4.397 1.00 0.00 C ATOM 1820 O SER A 113 11.774 7.937 -3.475 1.00 0.00 O ATOM 1821 CB SER A 113 10.972 10.648 -3.076 1.00 0.00 C ATOM 1822 OG SER A 113 12.383 10.648 -3.204 1.00 0.00 O ATOM 0 H SER A 113 8.882 9.323 -2.657 1.00 0.00 H new ATOM 0 HA SER A 113 10.198 10.297 -5.049 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.594 11.664 -3.189 1.00 0.00 H new ATOM 0 HB3 SER A 113 10.694 10.313 -2.076 1.00 0.00 H new ATOM 0 HG SER A 113 12.773 11.238 -2.526 1.00 0.00 H new