USER MOD reduce.3.24.130724 H: found=0, std=0, add=842, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 844 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 87 MET CE :methyl 176:sc= -0.135 (180deg=-0.157) USER MOD Set 1.2: A 113 CYS SG : rot 180:sc= -0.588 USER MOD Set 2.1: A 85 THR OG1 : rot 180:sc= -0.759 USER MOD Set 2.2: A 117 THR OG1 : rot 180:sc= -3.17! USER MOD Set 3.1: A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -6.46! C(o=-6.5!,f=-15!) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.967 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ -156:sc= -0.0835 (180deg=-0.388) USER MOD Single : A 38 GLN : amide:sc= -5.9! C(o=-5.9!,f=-7.6!) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 HIS :FLIP no HD1:sc= -2.57 F(o=-4.4!,f=-2.6) USER MOD Single : A 45 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.0046) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= -0.84 USER MOD Single : A 50 ASN :FLIP amide:sc=-0.000936 F(o=-0.72,f=-0.00094) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 GLN : amide:sc= -0.0322 X(o=-0.032,f=-0.42) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot -34:sc= 0.0128 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 SER OG : rot -44:sc= 0.464 USER MOD Single : A 80 MET CE :methyl -174:sc= -2.09 (180deg=-2.24) USER MOD Single : A 89 THR OG1 : rot 42:sc= 0.523 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 LYS NZ :NH3+ -113:sc= -0.0159 (180deg=-0.771) USER MOD Single : A 94 TYR OH : rot 180:sc= -0.364 USER MOD Single : A 95 CYS SG : rot 60:sc= -1.04 USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 GLN : amide:sc= 0 K(o=0,f=-0.92) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 109 HIS :FLIP no HD1:sc= -0.405 F(o=-1.2,f=-0.4) USER MOD Single : A 119 LYS NZ :NH3+ 138:sc= -2.02! (180deg=-3.26!) USER MOD Single : A 120 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 120 N LEU A 11 -6.357 -11.754 3.796 1.00 0.00 N ATOM 121 CA LEU A 11 -7.323 -11.634 2.710 1.00 0.00 C ATOM 122 C LEU A 11 -6.641 -11.795 1.355 1.00 0.00 C ATOM 123 O LEU A 11 -5.639 -11.139 1.071 1.00 0.00 O ATOM 124 CB LEU A 11 -8.032 -10.280 2.778 1.00 0.00 C ATOM 125 CG LEU A 11 -8.822 -9.872 1.534 1.00 0.00 C ATOM 126 CD1 LEU A 11 -10.012 -9.006 1.917 1.00 0.00 C ATOM 127 CD2 LEU A 11 -7.923 -9.140 0.548 1.00 0.00 C ATOM 0 HA LEU A 11 -8.060 -12.429 2.823 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.713 -10.292 3.629 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.286 -9.511 2.978 1.00 0.00 H new ATOM 0 HG LEU A 11 -9.197 -10.775 1.053 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -10.562 -8.726 1.019 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -10.668 -9.564 2.585 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -9.660 -8.107 2.422 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.502 -8.857 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.519 -8.244 1.020 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -7.104 -9.793 0.248 1.00 0.00 H new ATOM 139 N ASP A 12 -7.193 -12.671 0.522 1.00 0.00 N ATOM 140 CA ASP A 12 -6.640 -12.917 -0.805 1.00 0.00 C ATOM 141 C ASP A 12 -7.321 -12.037 -1.849 1.00 0.00 C ATOM 142 O ASP A 12 -8.446 -12.313 -2.269 1.00 0.00 O ATOM 143 CB ASP A 12 -6.797 -14.391 -1.182 1.00 0.00 C ATOM 144 CG ASP A 12 -8.115 -14.972 -0.708 1.00 0.00 C ATOM 145 OD1 ASP A 12 -9.111 -14.221 -0.659 1.00 0.00 O ATOM 146 OD2 ASP A 12 -8.149 -16.178 -0.384 1.00 0.00 O ATOM 0 H ASP A 12 -8.022 -13.222 0.742 1.00 0.00 H new ATOM 0 HA ASP A 12 -5.579 -12.668 -0.781 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -6.725 -14.496 -2.265 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -5.975 -14.963 -0.751 1.00 0.00 H new ATOM 151 N ILE A 13 -6.634 -10.978 -2.262 1.00 0.00 N ATOM 152 CA ILE A 13 -7.173 -10.059 -3.257 1.00 0.00 C ATOM 153 C ILE A 13 -7.266 -10.723 -4.626 1.00 0.00 C ATOM 154 O ILE A 13 -8.264 -10.576 -5.333 1.00 0.00 O ATOM 155 CB ILE A 13 -6.312 -8.787 -3.373 1.00 0.00 C ATOM 156 CG1 ILE A 13 -6.316 -8.019 -2.050 1.00 0.00 C ATOM 157 CG2 ILE A 13 -6.818 -7.906 -4.505 1.00 0.00 C ATOM 158 CD1 ILE A 13 -5.330 -6.873 -2.013 1.00 0.00 C ATOM 0 H ILE A 13 -5.703 -10.735 -1.923 1.00 0.00 H new ATOM 0 HA ILE A 13 -8.173 -9.782 -2.922 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.286 -9.080 -3.598 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -7.318 -7.631 -1.868 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -6.089 -8.709 -1.238 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.199 -7.011 -4.574 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.767 -8.456 -5.445 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.851 -7.619 -4.308 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -5.388 -6.374 -1.046 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.321 -7.256 -2.164 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -5.570 -6.161 -2.803 1.00 0.00 H new ATOM 170 N LEU A 14 -6.221 -11.456 -4.994 1.00 0.00 N ATOM 171 CA LEU A 14 -6.185 -12.146 -6.279 1.00 0.00 C ATOM 172 C LEU A 14 -6.711 -13.571 -6.147 1.00 0.00 C ATOM 173 O LEU A 14 -7.277 -14.125 -7.089 1.00 0.00 O ATOM 174 CB LEU A 14 -4.758 -12.165 -6.830 1.00 0.00 C ATOM 175 CG LEU A 14 -4.129 -10.800 -7.112 1.00 0.00 C ATOM 176 CD1 LEU A 14 -2.611 -10.899 -7.094 1.00 0.00 C ATOM 177 CD2 LEU A 14 -4.614 -10.254 -8.447 1.00 0.00 C ATOM 0 H LEU A 14 -5.388 -11.588 -4.421 1.00 0.00 H new ATOM 0 HA LEU A 14 -6.828 -11.604 -6.973 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -4.123 -12.696 -6.121 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.755 -12.742 -7.755 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.438 -10.110 -6.327 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -2.180 -9.919 -7.297 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.281 -11.245 -6.115 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -2.283 -11.604 -7.858 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -4.156 -9.282 -8.631 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.336 -10.943 -9.245 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.698 -10.145 -8.423 1.00 0.00 H new ATOM 189 N GLY A 15 -6.521 -14.160 -4.970 1.00 0.00 N ATOM 190 CA GLY A 15 -6.984 -15.515 -4.735 1.00 0.00 C ATOM 191 C GLY A 15 -5.848 -16.518 -4.704 1.00 0.00 C ATOM 192 O GLY A 15 -5.903 -17.505 -3.971 1.00 0.00 O ATOM 0 H GLY A 15 -6.055 -13.723 -4.175 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -7.524 -15.552 -3.789 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -7.691 -15.795 -5.516 1.00 0.00 H new ATOM 196 N ASN A 16 -4.816 -16.267 -5.503 1.00 0.00 N ATOM 197 CA ASN A 16 -3.663 -17.157 -5.565 1.00 0.00 C ATOM 198 C ASN A 16 -3.014 -17.304 -4.192 1.00 0.00 C ATOM 199 O ASN A 16 -2.848 -18.414 -3.688 1.00 0.00 O ATOM 200 CB ASN A 16 -2.638 -16.629 -6.572 1.00 0.00 C ATOM 201 CG ASN A 16 -2.679 -15.118 -6.699 1.00 0.00 C ATOM 202 OD1 ASN A 16 -3.669 -14.549 -7.157 1.00 0.00 O ATOM 203 ND2 ASN A 16 -1.598 -14.462 -6.292 1.00 0.00 N ATOM 0 H ASN A 16 -4.755 -15.454 -6.116 1.00 0.00 H new ATOM 0 HA ASN A 16 -4.010 -18.138 -5.890 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -1.639 -16.938 -6.266 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -2.826 -17.078 -7.547 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -1.566 -13.444 -6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -0.800 -14.976 -5.919 1.00 0.00 H new ATOM 210 N GLY A 17 -2.649 -16.175 -3.592 1.00 0.00 N ATOM 211 CA GLY A 17 -2.024 -16.200 -2.283 1.00 0.00 C ATOM 212 C GLY A 17 -0.905 -15.186 -2.156 1.00 0.00 C ATOM 213 O GLY A 17 -0.467 -14.869 -1.049 1.00 0.00 O ATOM 0 H GLY A 17 -2.775 -15.244 -3.989 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.777 -16.003 -1.520 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.630 -17.198 -2.091 1.00 0.00 H new ATOM 217 N LEU A 18 -0.439 -14.676 -3.290 1.00 0.00 N ATOM 218 CA LEU A 18 0.638 -13.692 -3.302 1.00 0.00 C ATOM 219 C LEU A 18 0.165 -12.360 -2.727 1.00 0.00 C ATOM 220 O LEU A 18 0.655 -11.911 -1.690 1.00 0.00 O ATOM 221 CB LEU A 18 1.155 -13.489 -4.727 1.00 0.00 C ATOM 222 CG LEU A 18 2.203 -14.494 -5.210 1.00 0.00 C ATOM 223 CD1 LEU A 18 3.237 -14.749 -4.125 1.00 0.00 C ATOM 224 CD2 LEU A 18 1.538 -15.795 -5.634 1.00 0.00 C ATOM 0 H LEU A 18 -0.790 -14.928 -4.214 1.00 0.00 H new ATOM 0 HA LEU A 18 1.448 -14.070 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.305 -13.524 -5.409 1.00 0.00 H new ATOM 0 HB3 LEU A 18 1.580 -12.488 -4.799 1.00 0.00 H new ATOM 0 HG LEU A 18 2.713 -14.072 -6.076 1.00 0.00 H new ATOM 0 HD11 LEU A 18 3.974 -15.466 -4.486 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.735 -13.814 -3.870 1.00 0.00 H new ATOM 0 HD13 LEU A 18 2.744 -15.150 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 18 2.298 -16.498 -5.975 1.00 0.00 H new ATOM 0 HD22 LEU A 18 1.002 -16.223 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU A 18 0.837 -15.598 -6.445 1.00 0.00 H new ATOM 236 N LEU A 19 -0.791 -11.735 -3.405 1.00 0.00 N ATOM 237 CA LEU A 19 -1.332 -10.456 -2.960 1.00 0.00 C ATOM 238 C LEU A 19 -2.273 -10.645 -1.774 1.00 0.00 C ATOM 239 O LEU A 19 -3.361 -11.203 -1.915 1.00 0.00 O ATOM 240 CB LEU A 19 -2.072 -9.766 -4.107 1.00 0.00 C ATOM 241 CG LEU A 19 -2.502 -8.321 -3.856 1.00 0.00 C ATOM 242 CD1 LEU A 19 -1.303 -7.464 -3.483 1.00 0.00 C ATOM 243 CD2 LEU A 19 -3.206 -7.753 -5.080 1.00 0.00 C ATOM 0 H LEU A 19 -1.207 -12.093 -4.265 1.00 0.00 H new ATOM 0 HA LEU A 19 -0.499 -9.828 -2.643 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -1.432 -9.785 -4.989 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -2.960 -10.352 -4.344 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.203 -8.311 -3.021 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.629 -6.439 -3.308 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -0.842 -7.858 -2.577 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.577 -7.480 -4.296 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -3.505 -6.724 -4.883 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -2.528 -7.777 -5.933 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.090 -8.351 -5.302 1.00 0.00 H new ATOM 255 N ARG A 20 -1.847 -10.174 -0.607 1.00 0.00 N ATOM 256 CA ARG A 20 -2.652 -10.291 0.604 1.00 0.00 C ATOM 257 C ARG A 20 -2.757 -8.947 1.318 1.00 0.00 C ATOM 258 O ARG A 20 -1.845 -8.122 1.251 1.00 0.00 O ATOM 259 CB ARG A 20 -2.047 -11.335 1.545 1.00 0.00 C ATOM 260 CG ARG A 20 -2.069 -12.747 0.983 1.00 0.00 C ATOM 261 CD ARG A 20 -0.902 -13.572 1.504 1.00 0.00 C ATOM 262 NE ARG A 20 -1.206 -15.000 1.519 1.00 0.00 N ATOM 263 CZ ARG A 20 -0.276 -15.949 1.506 1.00 0.00 C ATOM 264 NH1 ARG A 20 1.008 -15.623 1.478 1.00 0.00 N ATOM 265 NH2 ARG A 20 -0.631 -17.227 1.522 1.00 0.00 N ATOM 0 H ARG A 20 -0.950 -9.708 -0.474 1.00 0.00 H new ATOM 0 HA ARG A 20 -3.654 -10.609 0.316 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.017 -11.058 1.767 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -2.592 -11.320 2.489 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -3.007 -13.232 1.251 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.031 -12.707 -0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.026 -13.394 0.881 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -0.648 -13.245 2.512 1.00 0.00 H new ATOM 0 HE ARG A 20 -2.185 -15.285 1.541 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.285 -14.641 1.466 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.720 -16.354 1.468 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.618 -17.482 1.544 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.083 -17.955 1.512 1.00 0.00 H new ATOM 279 N LYS A 21 -3.876 -8.732 2.001 1.00 0.00 N ATOM 280 CA LYS A 21 -4.103 -7.489 2.729 1.00 0.00 C ATOM 281 C LYS A 21 -4.600 -7.770 4.144 1.00 0.00 C ATOM 282 O LYS A 21 -5.330 -8.733 4.377 1.00 0.00 O ATOM 283 CB LYS A 21 -5.115 -6.616 1.985 1.00 0.00 C ATOM 284 CG LYS A 21 -5.193 -5.193 2.511 1.00 0.00 C ATOM 285 CD LYS A 21 -6.321 -4.416 1.852 1.00 0.00 C ATOM 286 CE LYS A 21 -7.676 -4.813 2.418 1.00 0.00 C ATOM 287 NZ LYS A 21 -8.000 -4.061 3.662 1.00 0.00 N ATOM 0 H LYS A 21 -4.641 -9.403 2.066 1.00 0.00 H new ATOM 0 HA LYS A 21 -3.154 -6.957 2.795 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -4.852 -6.590 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -6.101 -7.076 2.057 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -5.344 -5.211 3.590 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -4.246 -4.685 2.330 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -6.163 -3.348 1.999 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -6.308 -4.595 0.777 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -8.449 -4.630 1.672 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -7.682 -5.883 2.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -8.931 -4.360 4.016 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -7.276 -4.255 4.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -8.019 -3.042 3.456 1.00 0.00 H new ATOM 301 N LYS A 22 -4.200 -6.922 5.085 1.00 0.00 N ATOM 302 CA LYS A 22 -4.607 -7.076 6.477 1.00 0.00 C ATOM 303 C LYS A 22 -5.021 -5.735 7.074 1.00 0.00 C ATOM 304 O LYS A 22 -4.181 -4.871 7.331 1.00 0.00 O ATOM 305 CB LYS A 22 -3.467 -7.682 7.299 1.00 0.00 C ATOM 306 CG LYS A 22 -3.751 -7.730 8.790 1.00 0.00 C ATOM 307 CD LYS A 22 -2.600 -8.359 9.557 1.00 0.00 C ATOM 308 CE LYS A 22 -1.501 -7.347 9.843 1.00 0.00 C ATOM 309 NZ LYS A 22 -0.433 -7.918 10.708 1.00 0.00 N ATOM 0 H LYS A 22 -3.594 -6.121 4.909 1.00 0.00 H new ATOM 0 HA LYS A 22 -5.465 -7.748 6.507 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.271 -8.693 6.942 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.560 -7.102 7.129 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -3.927 -6.720 9.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -4.663 -8.299 8.969 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -2.969 -8.771 10.496 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.190 -9.190 8.983 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -1.065 -7.009 8.903 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -1.931 -6.471 10.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 0.297 -7.197 10.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -0.844 -8.217 11.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.005 -8.739 10.234 1.00 0.00 H new ATOM 323 N THR A 23 -6.321 -5.567 7.295 1.00 0.00 N ATOM 324 CA THR A 23 -6.847 -4.331 7.863 1.00 0.00 C ATOM 325 C THR A 23 -6.328 -4.113 9.280 1.00 0.00 C ATOM 326 O THR A 23 -6.803 -4.738 10.229 1.00 0.00 O ATOM 327 CB THR A 23 -8.387 -4.335 7.887 1.00 0.00 C ATOM 328 OG1 THR A 23 -8.897 -4.630 6.582 1.00 0.00 O ATOM 329 CG2 THR A 23 -8.924 -2.990 8.354 1.00 0.00 C ATOM 0 H THR A 23 -7.029 -6.271 7.089 1.00 0.00 H new ATOM 0 HA THR A 23 -6.503 -3.518 7.224 1.00 0.00 H new ATOM 0 HB THR A 23 -8.715 -5.103 8.587 1.00 0.00 H new ATOM 0 HG1 THR A 23 -9.877 -4.632 6.606 1.00 0.00 H new ATOM 0 HG21 THR A 23 -10.014 -3.016 8.363 1.00 0.00 H new ATOM 0 HG22 THR A 23 -8.558 -2.781 9.359 1.00 0.00 H new ATOM 0 HG23 THR A 23 -8.586 -2.207 7.675 1.00 0.00 H new ATOM 337 N LEU A 24 -5.352 -3.223 9.417 1.00 0.00 N ATOM 338 CA LEU A 24 -4.769 -2.921 10.719 1.00 0.00 C ATOM 339 C LEU A 24 -5.722 -2.079 11.561 1.00 0.00 C ATOM 340 O LEU A 24 -5.932 -2.354 12.743 1.00 0.00 O ATOM 341 CB LEU A 24 -3.438 -2.186 10.547 1.00 0.00 C ATOM 342 CG LEU A 24 -2.400 -2.876 9.662 1.00 0.00 C ATOM 343 CD1 LEU A 24 -1.318 -1.894 9.242 1.00 0.00 C ATOM 344 CD2 LEU A 24 -1.790 -4.068 10.385 1.00 0.00 C ATOM 0 H LEU A 24 -4.947 -2.698 8.642 1.00 0.00 H new ATOM 0 HA LEU A 24 -4.592 -3.864 11.237 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -3.642 -1.199 10.132 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.001 -2.032 11.533 1.00 0.00 H new ATOM 0 HG LEU A 24 -2.900 -3.238 8.764 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -0.588 -2.404 8.613 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -1.768 -1.073 8.684 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -0.820 -1.500 10.128 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.053 -4.547 9.740 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.305 -3.729 11.300 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.574 -4.783 10.633 1.00 0.00 H new ATOM 356 N VAL A 25 -6.300 -1.053 10.944 1.00 0.00 N ATOM 357 CA VAL A 25 -7.234 -0.172 11.635 1.00 0.00 C ATOM 358 C VAL A 25 -8.356 0.276 10.705 1.00 0.00 C ATOM 359 O VAL A 25 -8.164 1.105 9.815 1.00 0.00 O ATOM 360 CB VAL A 25 -6.521 1.071 12.199 1.00 0.00 C ATOM 361 CG1 VAL A 25 -7.516 1.989 12.893 1.00 0.00 C ATOM 362 CG2 VAL A 25 -5.408 0.660 13.151 1.00 0.00 C ATOM 0 H VAL A 25 -6.138 -0.812 9.966 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.657 -0.744 12.461 1.00 0.00 H new ATOM 0 HB VAL A 25 -6.075 1.620 11.370 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -6.994 2.862 13.285 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -8.274 2.310 12.179 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -7.994 1.454 13.713 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -4.915 1.551 13.540 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -5.829 0.088 13.978 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -4.681 0.047 12.618 1.00 0.00 H new ATOM 372 N PRO A 26 -9.557 -0.282 10.916 1.00 0.00 N ATOM 373 CA PRO A 26 -10.735 0.046 10.107 1.00 0.00 C ATOM 374 C PRO A 26 -11.239 1.462 10.365 1.00 0.00 C ATOM 375 O PRO A 26 -11.035 2.017 11.444 1.00 0.00 O ATOM 376 CB PRO A 26 -11.775 -0.982 10.561 1.00 0.00 C ATOM 377 CG PRO A 26 -11.360 -1.356 11.942 1.00 0.00 C ATOM 378 CD PRO A 26 -9.858 -1.277 11.959 1.00 0.00 C ATOM 0 HA PRO A 26 -10.519 0.011 9.039 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -12.780 -0.560 10.550 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -11.787 -1.850 9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -11.795 -0.679 12.677 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -11.701 -2.360 12.193 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -9.483 -0.964 12.933 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -9.402 -2.242 11.737 1.00 0.00 H new ATOM 386 N GLY A 27 -11.899 2.042 9.367 1.00 0.00 N ATOM 387 CA GLY A 27 -12.422 3.388 9.507 1.00 0.00 C ATOM 388 C GLY A 27 -13.827 3.409 10.077 1.00 0.00 C ATOM 389 O GLY A 27 -14.435 2.367 10.322 1.00 0.00 O ATOM 0 H GLY A 27 -12.081 1.603 8.464 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -11.762 3.965 10.155 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -12.421 3.878 8.533 1.00 0.00 H new ATOM 393 N PRO A 28 -14.362 4.618 10.299 1.00 0.00 N ATOM 394 CA PRO A 28 -15.709 4.799 10.848 1.00 0.00 C ATOM 395 C PRO A 28 -16.797 4.390 9.860 1.00 0.00 C ATOM 396 O PRO A 28 -16.565 4.276 8.657 1.00 0.00 O ATOM 397 CB PRO A 28 -15.779 6.302 11.129 1.00 0.00 C ATOM 398 CG PRO A 28 -14.800 6.910 10.185 1.00 0.00 C ATOM 399 CD PRO A 28 -13.694 5.903 10.031 1.00 0.00 C ATOM 0 HA PRO A 28 -15.877 4.179 11.729 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -16.784 6.690 10.961 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -15.521 6.524 12.164 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -15.267 7.127 9.224 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -14.417 7.854 10.574 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -13.262 5.930 9.031 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -12.882 6.088 10.734 1.00 0.00 H new ATOM 407 N PRO A 29 -18.014 4.165 10.379 1.00 0.00 N ATOM 408 CA PRO A 29 -19.162 3.766 9.559 1.00 0.00 C ATOM 409 C PRO A 29 -19.648 4.894 8.655 1.00 0.00 C ATOM 410 O PRO A 29 -20.644 4.750 7.947 1.00 0.00 O ATOM 411 CB PRO A 29 -20.231 3.412 10.595 1.00 0.00 C ATOM 412 CG PRO A 29 -19.863 4.201 11.804 1.00 0.00 C ATOM 413 CD PRO A 29 -18.362 4.282 11.805 1.00 0.00 C ATOM 0 HA PRO A 29 -18.916 2.947 8.883 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -21.228 3.673 10.240 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -20.238 2.343 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -20.307 5.196 11.771 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -20.228 3.719 12.711 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -18.010 5.223 12.229 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -17.917 3.481 12.395 1.00 0.00 H new ATOM 421 N GLY A 30 -18.938 6.018 8.685 1.00 0.00 N ATOM 422 CA GLY A 30 -19.314 7.155 7.864 1.00 0.00 C ATOM 423 C GLY A 30 -18.529 7.218 6.568 1.00 0.00 C ATOM 424 O GLY A 30 -19.111 7.272 5.485 1.00 0.00 O ATOM 0 H GLY A 30 -18.110 6.162 9.263 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -20.379 7.100 7.638 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.155 8.075 8.427 1.00 0.00 H new ATOM 428 N SER A 31 -17.205 7.213 6.679 1.00 0.00 N ATOM 429 CA SER A 31 -16.339 7.276 5.508 1.00 0.00 C ATOM 430 C SER A 31 -16.698 6.181 4.508 1.00 0.00 C ATOM 431 O SER A 31 -17.573 5.353 4.764 1.00 0.00 O ATOM 432 CB SER A 31 -14.873 7.142 5.923 1.00 0.00 C ATOM 433 OG SER A 31 -14.641 7.754 7.180 1.00 0.00 O ATOM 0 H SER A 31 -16.708 7.166 7.569 1.00 0.00 H new ATOM 0 HA SER A 31 -16.486 8.244 5.030 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.601 6.088 5.972 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.235 7.601 5.168 1.00 0.00 H new ATOM 0 HG SER A 31 -13.697 7.653 7.424 1.00 0.00 H new ATOM 439 N SER A 32 -16.016 6.183 3.367 1.00 0.00 N ATOM 440 CA SER A 32 -16.264 5.193 2.326 1.00 0.00 C ATOM 441 C SER A 32 -15.090 5.120 1.354 1.00 0.00 C ATOM 442 O SER A 32 -14.234 6.004 1.331 1.00 0.00 O ATOM 443 CB SER A 32 -17.549 5.531 1.567 1.00 0.00 C ATOM 444 OG SER A 32 -17.560 6.889 1.163 1.00 0.00 O ATOM 0 H SER A 32 -15.287 6.860 3.140 1.00 0.00 H new ATOM 0 HA SER A 32 -16.378 4.220 2.804 1.00 0.00 H new ATOM 0 HB2 SER A 32 -17.638 4.887 0.692 1.00 0.00 H new ATOM 0 HB3 SER A 32 -18.413 5.330 2.200 1.00 0.00 H new ATOM 0 HG SER A 32 -18.390 7.079 0.679 1.00 0.00 H new ATOM 450 N ARG A 33 -15.058 4.059 0.554 1.00 0.00 N ATOM 451 CA ARG A 33 -13.989 3.869 -0.419 1.00 0.00 C ATOM 452 C ARG A 33 -13.942 5.030 -1.409 1.00 0.00 C ATOM 453 O ARG A 33 -14.969 5.575 -1.814 1.00 0.00 O ATOM 454 CB ARG A 33 -14.183 2.551 -1.171 1.00 0.00 C ATOM 455 CG ARG A 33 -14.131 1.325 -0.275 1.00 0.00 C ATOM 456 CD ARG A 33 -13.734 0.081 -1.054 1.00 0.00 C ATOM 457 NE ARG A 33 -14.896 -0.617 -1.598 1.00 0.00 N ATOM 458 CZ ARG A 33 -14.901 -1.912 -1.897 1.00 0.00 C ATOM 459 NH1 ARG A 33 -13.813 -2.645 -1.705 1.00 0.00 N ATOM 460 NH2 ARG A 33 -15.997 -2.476 -2.388 1.00 0.00 N ATOM 0 H ARG A 33 -15.759 3.319 0.561 1.00 0.00 H new ATOM 0 HA ARG A 33 -13.043 3.836 0.121 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -15.144 2.574 -1.685 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -13.413 2.463 -1.938 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -13.418 1.493 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -15.106 1.170 0.188 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.065 0.361 -1.868 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -13.178 -0.593 -0.402 1.00 0.00 H new ATOM 0 HE ARG A 33 -15.750 -0.082 -1.757 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -12.969 -2.215 -1.327 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -13.820 -3.639 -1.936 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -16.836 -1.916 -2.536 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -16.000 -3.470 -2.617 1.00 0.00 H new ATOM 474 N PRO A 34 -12.722 5.418 -1.809 1.00 0.00 N ATOM 475 CA PRO A 34 -12.512 6.517 -2.756 1.00 0.00 C ATOM 476 C PRO A 34 -12.968 6.162 -4.167 1.00 0.00 C ATOM 477 O PRO A 34 -13.599 5.128 -4.384 1.00 0.00 O ATOM 478 CB PRO A 34 -10.996 6.730 -2.721 1.00 0.00 C ATOM 479 CG PRO A 34 -10.438 5.414 -2.300 1.00 0.00 C ATOM 480 CD PRO A 34 -11.454 4.814 -1.367 1.00 0.00 C ATOM 0 HA PRO A 34 -13.087 7.403 -2.487 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -10.615 7.027 -3.698 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -10.723 7.518 -2.020 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -10.269 4.768 -3.161 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -9.476 5.539 -1.802 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -11.478 3.727 -1.445 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -11.236 5.055 -0.327 1.00 0.00 H new ATOM 488 N VAL A 35 -12.644 7.026 -5.124 1.00 0.00 N ATOM 489 CA VAL A 35 -13.019 6.802 -6.515 1.00 0.00 C ATOM 490 C VAL A 35 -11.787 6.632 -7.396 1.00 0.00 C ATOM 491 O VAL A 35 -10.702 7.111 -7.065 1.00 0.00 O ATOM 492 CB VAL A 35 -13.870 7.965 -7.060 1.00 0.00 C ATOM 493 CG1 VAL A 35 -13.245 9.302 -6.692 1.00 0.00 C ATOM 494 CG2 VAL A 35 -14.035 7.841 -8.567 1.00 0.00 C ATOM 0 H VAL A 35 -12.123 7.887 -4.961 1.00 0.00 H new ATOM 0 HA VAL A 35 -13.609 5.886 -6.541 1.00 0.00 H new ATOM 0 HB VAL A 35 -14.858 7.916 -6.603 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -13.860 10.112 -7.085 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -13.182 9.388 -5.607 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -12.244 9.366 -7.119 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -14.639 8.670 -8.936 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -13.055 7.865 -9.044 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -14.530 6.899 -8.803 1.00 0.00 H new ATOM 504 N LYS A 36 -11.961 5.945 -8.520 1.00 0.00 N ATOM 505 CA LYS A 36 -10.864 5.711 -9.452 1.00 0.00 C ATOM 506 C LYS A 36 -10.728 6.870 -10.434 1.00 0.00 C ATOM 507 O LYS A 36 -11.637 7.142 -11.218 1.00 0.00 O ATOM 508 CB LYS A 36 -11.086 4.404 -10.216 1.00 0.00 C ATOM 509 CG LYS A 36 -10.135 4.214 -11.385 1.00 0.00 C ATOM 510 CD LYS A 36 -10.495 2.984 -12.202 1.00 0.00 C ATOM 511 CE LYS A 36 -10.089 3.145 -13.659 1.00 0.00 C ATOM 512 NZ LYS A 36 -10.896 4.189 -14.348 1.00 0.00 N ATOM 0 H LYS A 36 -12.852 5.540 -8.808 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.941 5.635 -8.876 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -10.974 3.567 -9.527 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -12.111 4.378 -10.585 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.161 5.097 -12.024 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.115 4.119 -11.014 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.002 2.108 -11.780 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.569 2.806 -12.140 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.033 3.407 -13.715 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.209 2.193 -14.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.899 4.006 -15.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.872 4.166 -13.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.482 5.125 -14.165 1.00 0.00 H new ATOM 526 N GLY A 37 -9.586 7.550 -10.387 1.00 0.00 N ATOM 527 CA GLY A 37 -9.353 8.670 -11.280 1.00 0.00 C ATOM 528 C GLY A 37 -9.140 9.972 -10.532 1.00 0.00 C ATOM 529 O GLY A 37 -9.049 11.037 -11.142 1.00 0.00 O ATOM 0 H GLY A 37 -8.819 7.345 -9.747 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -8.480 8.462 -11.898 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -10.203 8.776 -11.954 1.00 0.00 H new ATOM 533 N GLN A 38 -9.064 9.887 -9.208 1.00 0.00 N ATOM 534 CA GLN A 38 -8.863 11.068 -8.377 1.00 0.00 C ATOM 535 C GLN A 38 -7.510 11.017 -7.676 1.00 0.00 C ATOM 536 O GLN A 38 -6.828 9.992 -7.692 1.00 0.00 O ATOM 537 CB GLN A 38 -9.983 11.185 -7.341 1.00 0.00 C ATOM 538 CG GLN A 38 -11.308 11.647 -7.927 1.00 0.00 C ATOM 539 CD GLN A 38 -12.142 12.432 -6.935 1.00 0.00 C ATOM 540 OE1 GLN A 38 -13.307 12.112 -6.696 1.00 0.00 O ATOM 541 NE2 GLN A 38 -11.549 13.466 -6.350 1.00 0.00 N ATOM 0 H GLN A 38 -9.139 9.013 -8.688 1.00 0.00 H new ATOM 0 HA GLN A 38 -8.883 11.944 -9.025 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -10.125 10.217 -6.861 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -9.676 11.884 -6.563 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -11.117 12.265 -8.805 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -11.874 10.779 -8.265 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -10.582 13.695 -6.578 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -12.061 14.031 -5.672 1.00 0.00 H new ATOM 550 N VAL A 39 -7.125 12.132 -7.062 1.00 0.00 N ATOM 551 CA VAL A 39 -5.853 12.214 -6.354 1.00 0.00 C ATOM 552 C VAL A 39 -5.970 11.645 -4.945 1.00 0.00 C ATOM 553 O VAL A 39 -6.540 12.275 -4.054 1.00 0.00 O ATOM 554 CB VAL A 39 -5.352 13.668 -6.269 1.00 0.00 C ATOM 555 CG1 VAL A 39 -4.148 13.765 -5.344 1.00 0.00 C ATOM 556 CG2 VAL A 39 -5.014 14.197 -7.654 1.00 0.00 C ATOM 0 H VAL A 39 -7.676 12.990 -7.041 1.00 0.00 H new ATOM 0 HA VAL A 39 -5.135 11.622 -6.922 1.00 0.00 H new ATOM 0 HB VAL A 39 -6.149 14.285 -5.854 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -3.808 14.800 -5.297 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -4.428 13.429 -4.346 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -3.344 13.136 -5.726 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -4.662 15.225 -7.575 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -4.234 13.579 -8.099 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -5.904 14.166 -8.283 1.00 0.00 H new ATOM 566 N VAL A 40 -5.425 10.448 -4.749 1.00 0.00 N ATOM 567 CA VAL A 40 -5.466 9.793 -3.447 1.00 0.00 C ATOM 568 C VAL A 40 -4.131 9.925 -2.723 1.00 0.00 C ATOM 569 O VAL A 40 -3.079 9.596 -3.271 1.00 0.00 O ATOM 570 CB VAL A 40 -5.819 8.300 -3.581 1.00 0.00 C ATOM 571 CG1 VAL A 40 -7.325 8.099 -3.503 1.00 0.00 C ATOM 572 CG2 VAL A 40 -5.264 7.736 -4.880 1.00 0.00 C ATOM 0 H VAL A 40 -4.950 9.912 -5.476 1.00 0.00 H new ATOM 0 HA VAL A 40 -6.242 10.292 -2.866 1.00 0.00 H new ATOM 0 HB VAL A 40 -5.361 7.760 -2.752 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -7.556 7.038 -3.600 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -7.692 8.464 -2.544 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -7.808 8.650 -4.310 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -5.523 6.680 -4.958 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -5.691 8.278 -5.724 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -4.180 7.845 -4.890 1.00 0.00 H new ATOM 582 N THR A 41 -4.180 10.410 -1.486 1.00 0.00 N ATOM 583 CA THR A 41 -2.975 10.587 -0.686 1.00 0.00 C ATOM 584 C THR A 41 -2.944 9.610 0.484 1.00 0.00 C ATOM 585 O THR A 41 -3.758 9.699 1.403 1.00 0.00 O ATOM 586 CB THR A 41 -2.867 12.024 -0.142 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.145 12.965 -1.186 1.00 0.00 O ATOM 588 CG2 THR A 41 -1.481 12.285 0.426 1.00 0.00 C ATOM 0 H THR A 41 -5.042 10.687 -1.017 1.00 0.00 H new ATOM 0 HA THR A 41 -2.128 10.391 -1.343 1.00 0.00 H new ATOM 0 HB THR A 41 -3.598 12.142 0.658 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.076 13.876 -0.832 1.00 0.00 H new ATOM 0 HG21 THR A 41 -1.429 13.306 0.804 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.284 11.587 1.239 1.00 0.00 H new ATOM 0 HG23 THR A 41 -0.735 12.150 -0.357 1.00 0.00 H new ATOM 596 N VAL A 42 -1.997 8.677 0.445 1.00 0.00 N ATOM 597 CA VAL A 42 -1.858 7.684 1.503 1.00 0.00 C ATOM 598 C VAL A 42 -0.410 7.571 1.964 1.00 0.00 C ATOM 599 O VAL A 42 0.471 8.263 1.454 1.00 0.00 O ATOM 600 CB VAL A 42 -2.348 6.299 1.041 1.00 0.00 C ATOM 601 CG1 VAL A 42 -3.599 6.432 0.186 1.00 0.00 C ATOM 602 CG2 VAL A 42 -1.248 5.572 0.281 1.00 0.00 C ATOM 0 H VAL A 42 -1.315 8.589 -0.308 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.476 8.020 2.336 1.00 0.00 H new ATOM 0 HB VAL A 42 -2.601 5.710 1.922 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -3.930 5.443 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -4.388 6.910 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -3.377 7.039 -0.692 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -1.611 4.595 -0.038 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -0.962 6.157 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.382 5.443 0.930 1.00 0.00 H new ATOM 612 N HIS A 43 -0.170 6.693 2.933 1.00 0.00 N ATOM 613 CA HIS A 43 1.174 6.488 3.463 1.00 0.00 C ATOM 614 C HIS A 43 1.658 5.068 3.183 1.00 0.00 C ATOM 615 O HIS A 43 1.107 4.099 3.707 1.00 0.00 O ATOM 616 CB HIS A 43 1.198 6.760 4.968 1.00 0.00 C ATOM 617 CG HIS A 43 2.579 6.913 5.527 1.00 0.00 C ATOM 618 ND1 HIS A 43 3.763 6.405 5.111 1.00 0.00 N flip ATOM 619 CD2 HIS A 43 2.858 7.662 6.650 1.00 0.00 C flip ATOM 620 CE1 HIS A 43 4.726 6.853 5.981 1.00 0.00 C flip ATOM 621 NE2 HIS A 43 4.154 7.611 6.900 1.00 0.00 N flip ATOM 0 H HIS A 43 -0.888 6.113 3.367 1.00 0.00 H new ATOM 0 HA HIS A 43 1.845 7.187 2.964 1.00 0.00 H new ATOM 0 HB2 HIS A 43 0.629 7.667 5.174 1.00 0.00 H new ATOM 0 HB3 HIS A 43 0.694 5.943 5.485 1.00 0.00 H new ATOM 0 HD2 HIS A 43 2.130 8.206 7.234 1.00 0.00 H new ATOM 0 HE1 HIS A 43 5.780 6.623 5.924 1.00 0.00 H new ATOM 0 HE2 HIS A 43 4.632 8.077 7.671 1.00 0.00 H new ATOM 630 N LEU A 44 2.689 4.953 2.354 1.00 0.00 N ATOM 631 CA LEU A 44 3.247 3.652 2.004 1.00 0.00 C ATOM 632 C LEU A 44 4.707 3.551 2.436 1.00 0.00 C ATOM 633 O LEU A 44 5.499 4.462 2.197 1.00 0.00 O ATOM 634 CB LEU A 44 3.133 3.415 0.497 1.00 0.00 C ATOM 635 CG LEU A 44 4.251 2.589 -0.140 1.00 0.00 C ATOM 636 CD1 LEU A 44 5.547 3.383 -0.175 1.00 0.00 C ATOM 637 CD2 LEU A 44 4.444 1.282 0.614 1.00 0.00 C ATOM 0 H LEU A 44 3.156 5.745 1.912 1.00 0.00 H new ATOM 0 HA LEU A 44 2.677 2.887 2.531 1.00 0.00 H new ATOM 0 HB2 LEU A 44 2.183 2.918 0.299 1.00 0.00 H new ATOM 0 HB3 LEU A 44 3.096 4.384 -0.001 1.00 0.00 H new ATOM 0 HG LEU A 44 3.965 2.355 -1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 44 6.331 2.779 -0.632 1.00 0.00 H new ATOM 0 HD12 LEU A 44 5.402 4.291 -0.760 1.00 0.00 H new ATOM 0 HD13 LEU A 44 5.839 3.648 0.841 1.00 0.00 H new ATOM 0 HD21 LEU A 44 5.244 0.707 0.147 1.00 0.00 H new ATOM 0 HD22 LEU A 44 4.708 1.495 1.650 1.00 0.00 H new ATOM 0 HD23 LEU A 44 3.519 0.706 0.586 1.00 0.00 H new ATOM 649 N GLN A 45 5.054 2.436 3.071 1.00 0.00 N ATOM 650 CA GLN A 45 6.419 2.216 3.535 1.00 0.00 C ATOM 651 C GLN A 45 6.936 0.855 3.079 1.00 0.00 C ATOM 652 O GLN A 45 6.442 -0.186 3.513 1.00 0.00 O ATOM 653 CB GLN A 45 6.484 2.315 5.060 1.00 0.00 C ATOM 654 CG GLN A 45 6.313 3.731 5.586 1.00 0.00 C ATOM 655 CD GLN A 45 6.789 3.883 7.017 1.00 0.00 C ATOM 656 OE1 GLN A 45 6.027 4.287 7.897 1.00 0.00 O ATOM 657 NE2 GLN A 45 8.054 3.560 7.258 1.00 0.00 N ATOM 0 H GLN A 45 4.410 1.672 3.276 1.00 0.00 H new ATOM 0 HA GLN A 45 7.053 2.989 3.101 1.00 0.00 H new ATOM 0 HB2 GLN A 45 5.709 1.681 5.490 1.00 0.00 H new ATOM 0 HB3 GLN A 45 7.442 1.923 5.401 1.00 0.00 H new ATOM 0 HG2 GLN A 45 6.866 4.421 4.948 1.00 0.00 H new ATOM 0 HG3 GLN A 45 5.262 4.013 5.525 1.00 0.00 H new ATOM 0 HE21 GLN A 45 8.650 3.230 6.499 1.00 0.00 H new ATOM 0 HE22 GLN A 45 8.430 3.642 8.202 1.00 0.00 H new ATOM 666 N THR A 46 7.934 0.870 2.201 1.00 0.00 N ATOM 667 CA THR A 46 8.517 -0.362 1.686 1.00 0.00 C ATOM 668 C THR A 46 9.592 -0.896 2.624 1.00 0.00 C ATOM 669 O THR A 46 10.450 -0.147 3.092 1.00 0.00 O ATOM 670 CB THR A 46 9.130 -0.151 0.288 1.00 0.00 C ATOM 671 OG1 THR A 46 8.203 0.544 -0.554 1.00 0.00 O ATOM 672 CG2 THR A 46 9.499 -1.483 -0.347 1.00 0.00 C ATOM 0 H THR A 46 8.355 1.722 1.832 1.00 0.00 H new ATOM 0 HA THR A 46 7.708 -1.089 1.615 1.00 0.00 H new ATOM 0 HB THR A 46 10.036 0.445 0.399 1.00 0.00 H new ATOM 0 HG1 THR A 46 8.601 0.676 -1.440 1.00 0.00 H new ATOM 0 HG21 THR A 46 9.930 -1.309 -1.333 1.00 0.00 H new ATOM 0 HG22 THR A 46 10.227 -1.996 0.281 1.00 0.00 H new ATOM 0 HG23 THR A 46 8.605 -2.099 -0.445 1.00 0.00 H new ATOM 680 N SER A 47 9.541 -2.196 2.896 1.00 0.00 N ATOM 681 CA SER A 47 10.510 -2.831 3.782 1.00 0.00 C ATOM 682 C SER A 47 10.714 -4.295 3.405 1.00 0.00 C ATOM 683 O SER A 47 9.772 -4.983 3.008 1.00 0.00 O ATOM 684 CB SER A 47 10.047 -2.726 5.237 1.00 0.00 C ATOM 685 OG SER A 47 8.718 -3.195 5.384 1.00 0.00 O ATOM 0 H SER A 47 8.839 -2.830 2.515 1.00 0.00 H new ATOM 0 HA SER A 47 11.461 -2.311 3.672 1.00 0.00 H new ATOM 0 HB2 SER A 47 10.713 -3.305 5.877 1.00 0.00 H new ATOM 0 HB3 SER A 47 10.109 -1.689 5.568 1.00 0.00 H new ATOM 0 HG SER A 47 8.446 -3.119 6.322 1.00 0.00 H new ATOM 691 N LEU A 48 11.949 -4.766 3.532 1.00 0.00 N ATOM 692 CA LEU A 48 12.279 -6.149 3.205 1.00 0.00 C ATOM 693 C LEU A 48 11.608 -7.113 4.179 1.00 0.00 C ATOM 694 O LEU A 48 11.269 -6.740 5.301 1.00 0.00 O ATOM 695 CB LEU A 48 13.795 -6.352 3.231 1.00 0.00 C ATOM 696 CG LEU A 48 14.526 -6.115 1.909 1.00 0.00 C ATOM 697 CD1 LEU A 48 14.176 -7.201 0.903 1.00 0.00 C ATOM 698 CD2 LEU A 48 14.188 -4.740 1.352 1.00 0.00 C ATOM 0 H LEU A 48 12.739 -4.210 3.859 1.00 0.00 H new ATOM 0 HA LEU A 48 11.908 -6.358 2.202 1.00 0.00 H new ATOM 0 HB2 LEU A 48 14.218 -5.685 3.982 1.00 0.00 H new ATOM 0 HB3 LEU A 48 14.000 -7.371 3.559 1.00 0.00 H new ATOM 0 HG LEU A 48 15.599 -6.155 2.097 1.00 0.00 H new ATOM 0 HD11 LEU A 48 14.706 -7.016 -0.032 1.00 0.00 H new ATOM 0 HD12 LEU A 48 14.470 -8.173 1.300 1.00 0.00 H new ATOM 0 HD13 LEU A 48 13.102 -7.194 0.719 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.717 -4.588 0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 48 13.114 -4.671 1.180 1.00 0.00 H new ATOM 0 HD23 LEU A 48 14.491 -3.974 2.066 1.00 0.00 H new ATOM 710 N GLU A 49 11.423 -8.354 3.741 1.00 0.00 N ATOM 711 CA GLU A 49 10.794 -9.372 4.575 1.00 0.00 C ATOM 712 C GLU A 49 11.660 -9.689 5.791 1.00 0.00 C ATOM 713 O GLU A 49 11.169 -10.191 6.801 1.00 0.00 O ATOM 714 CB GLU A 49 10.547 -10.646 3.765 1.00 0.00 C ATOM 715 CG GLU A 49 9.884 -11.756 4.562 1.00 0.00 C ATOM 716 CD GLU A 49 9.924 -13.093 3.848 1.00 0.00 C ATOM 717 OE1 GLU A 49 9.725 -13.111 2.615 1.00 0.00 O ATOM 718 OE2 GLU A 49 10.154 -14.119 4.520 1.00 0.00 O ATOM 0 H GLU A 49 11.699 -8.679 2.814 1.00 0.00 H new ATOM 0 HA GLU A 49 9.838 -8.981 4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 49 9.922 -10.404 2.906 1.00 0.00 H new ATOM 0 HB3 GLU A 49 11.498 -11.009 3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 49 10.380 -11.850 5.528 1.00 0.00 H new ATOM 0 HG3 GLU A 49 8.847 -11.486 4.761 1.00 0.00 H new ATOM 725 N ASN A 50 12.951 -9.393 5.685 1.00 0.00 N ATOM 726 CA ASN A 50 13.886 -9.647 6.775 1.00 0.00 C ATOM 727 C ASN A 50 13.805 -8.546 7.828 1.00 0.00 C ATOM 728 O ASN A 50 13.856 -8.816 9.028 1.00 0.00 O ATOM 729 CB ASN A 50 15.314 -9.750 6.236 1.00 0.00 C ATOM 730 CG ASN A 50 15.401 -10.605 4.987 1.00 0.00 C ATOM 731 OD1 ASN A 50 15.244 -9.977 3.828 1.00 0.00 O flip ATOM 732 ND2 ASN A 50 15.606 -11.817 5.064 1.00 0.00 N flip ATOM 0 H ASN A 50 13.374 -8.977 4.855 1.00 0.00 H new ATOM 0 HA ASN A 50 13.613 -10.593 7.243 1.00 0.00 H new ATOM 0 HB2 ASN A 50 15.689 -8.751 6.015 1.00 0.00 H new ATOM 0 HB3 ASN A 50 15.961 -10.170 7.006 1.00 0.00 H new ATOM 0 HD21 ASN A 50 15.721 -12.258 5.977 1.00 0.00 H new ATOM 0 HD22 ASN A 50 15.661 -12.380 4.215 1.00 0.00 H new ATOM 739 N GLY A 51 13.680 -7.304 7.370 1.00 0.00 N ATOM 740 CA GLY A 51 13.594 -6.181 8.286 1.00 0.00 C ATOM 741 C GLY A 51 14.463 -5.016 7.856 1.00 0.00 C ATOM 742 O GLY A 51 15.146 -4.403 8.678 1.00 0.00 O ATOM 0 H GLY A 51 13.637 -7.055 6.382 1.00 0.00 H new ATOM 0 HA2 GLY A 51 12.557 -5.851 8.356 1.00 0.00 H new ATOM 0 HA3 GLY A 51 13.893 -6.505 9.283 1.00 0.00 H new ATOM 746 N THR A 52 14.440 -4.707 6.563 1.00 0.00 N ATOM 747 CA THR A 52 15.233 -3.610 6.025 1.00 0.00 C ATOM 748 C THR A 52 14.365 -2.641 5.232 1.00 0.00 C ATOM 749 O THR A 52 14.048 -2.886 4.068 1.00 0.00 O ATOM 750 CB THR A 52 16.366 -4.127 5.118 1.00 0.00 C ATOM 751 OG1 THR A 52 17.268 -4.940 5.876 1.00 0.00 O ATOM 752 CG2 THR A 52 17.125 -2.969 4.487 1.00 0.00 C ATOM 0 H THR A 52 13.880 -5.202 5.869 1.00 0.00 H new ATOM 0 HA THR A 52 15.669 -3.089 6.877 1.00 0.00 H new ATOM 0 HB THR A 52 15.921 -4.725 4.323 1.00 0.00 H new ATOM 0 HG1 THR A 52 17.984 -5.266 5.292 1.00 0.00 H new ATOM 0 HG21 THR A 52 17.920 -3.358 3.851 1.00 0.00 H new ATOM 0 HG22 THR A 52 16.441 -2.370 3.886 1.00 0.00 H new ATOM 0 HG23 THR A 52 17.559 -2.348 5.271 1.00 0.00 H new ATOM 760 N ARG A 53 13.983 -1.538 5.868 1.00 0.00 N ATOM 761 CA ARG A 53 13.149 -0.532 5.221 1.00 0.00 C ATOM 762 C ARG A 53 13.793 -0.043 3.927 1.00 0.00 C ATOM 763 O ARG A 53 14.855 0.579 3.946 1.00 0.00 O ATOM 764 CB ARG A 53 12.914 0.649 6.164 1.00 0.00 C ATOM 765 CG ARG A 53 11.678 0.497 7.035 1.00 0.00 C ATOM 766 CD ARG A 53 11.060 1.846 7.366 1.00 0.00 C ATOM 767 NE ARG A 53 11.754 2.512 8.465 1.00 0.00 N ATOM 768 CZ ARG A 53 11.516 2.257 9.747 1.00 0.00 C ATOM 769 NH1 ARG A 53 10.606 1.355 10.088 1.00 0.00 N ATOM 770 NH2 ARG A 53 12.189 2.904 10.689 1.00 0.00 N ATOM 0 H ARG A 53 14.238 -1.318 6.831 1.00 0.00 H new ATOM 0 HA ARG A 53 12.191 -0.991 4.979 1.00 0.00 H new ATOM 0 HB2 ARG A 53 13.787 0.770 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 53 12.822 1.561 5.574 1.00 0.00 H new ATOM 0 HG2 ARG A 53 10.944 -0.124 6.522 1.00 0.00 H new ATOM 0 HG3 ARG A 53 11.943 -0.019 7.958 1.00 0.00 H new ATOM 0 HD2 ARG A 53 11.086 2.483 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 53 10.011 1.709 7.630 1.00 0.00 H new ATOM 0 HE ARG A 53 12.460 3.211 8.236 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.087 0.856 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 53 10.425 1.161 11.073 1.00 0.00 H new ATOM 0 HH21 ARG A 53 12.890 3.598 10.430 1.00 0.00 H new ATOM 0 HH22 ARG A 53 12.006 2.708 11.673 1.00 0.00 H new ATOM 784 N VAL A 54 13.143 -0.330 2.804 1.00 0.00 N ATOM 785 CA VAL A 54 13.652 0.080 1.500 1.00 0.00 C ATOM 786 C VAL A 54 13.536 1.589 1.315 1.00 0.00 C ATOM 787 O VAL A 54 14.461 2.237 0.825 1.00 0.00 O ATOM 788 CB VAL A 54 12.899 -0.625 0.357 1.00 0.00 C ATOM 789 CG1 VAL A 54 13.429 -0.168 -0.994 1.00 0.00 C ATOM 790 CG2 VAL A 54 13.010 -2.136 0.498 1.00 0.00 C ATOM 0 H VAL A 54 12.263 -0.845 2.771 1.00 0.00 H new ATOM 0 HA VAL A 54 14.703 -0.208 1.465 1.00 0.00 H new ATOM 0 HB VAL A 54 11.845 -0.353 0.418 1.00 0.00 H new ATOM 0 HG11 VAL A 54 12.885 -0.677 -1.789 1.00 0.00 H new ATOM 0 HG12 VAL A 54 13.293 0.909 -1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 54 14.490 -0.408 -1.069 1.00 0.00 H new ATOM 0 HG21 VAL A 54 12.472 -2.618 -0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 54 14.059 -2.429 0.464 1.00 0.00 H new ATOM 0 HG23 VAL A 54 12.578 -2.445 1.450 1.00 0.00 H new ATOM 800 N GLN A 55 12.394 2.143 1.712 1.00 0.00 N ATOM 801 CA GLN A 55 12.158 3.576 1.590 1.00 0.00 C ATOM 802 C GLN A 55 11.103 4.041 2.588 1.00 0.00 C ATOM 803 O GLN A 55 10.443 3.226 3.232 1.00 0.00 O ATOM 804 CB GLN A 55 11.717 3.922 0.166 1.00 0.00 C ATOM 805 CG GLN A 55 10.252 3.622 -0.107 1.00 0.00 C ATOM 806 CD GLN A 55 9.642 4.569 -1.122 1.00 0.00 C ATOM 807 OE1 GLN A 55 9.436 5.749 -0.841 1.00 0.00 O ATOM 808 NE2 GLN A 55 9.351 4.054 -2.311 1.00 0.00 N ATOM 0 H GLN A 55 11.619 1.621 2.120 1.00 0.00 H new ATOM 0 HA GLN A 55 13.092 4.092 1.810 1.00 0.00 H new ATOM 0 HB2 GLN A 55 11.902 4.981 -0.016 1.00 0.00 H new ATOM 0 HB3 GLN A 55 12.331 3.365 -0.541 1.00 0.00 H new ATOM 0 HG2 GLN A 55 10.156 2.598 -0.468 1.00 0.00 H new ATOM 0 HG3 GLN A 55 9.692 3.685 0.826 1.00 0.00 H new ATOM 0 HE21 GLN A 55 9.539 3.070 -2.500 1.00 0.00 H new ATOM 0 HE22 GLN A 55 8.939 4.643 -3.035 1.00 0.00 H new ATOM 817 N GLU A 56 10.950 5.356 2.711 1.00 0.00 N ATOM 818 CA GLU A 56 9.975 5.928 3.632 1.00 0.00 C ATOM 819 C GLU A 56 9.181 7.045 2.960 1.00 0.00 C ATOM 820 O GLU A 56 9.660 8.171 2.836 1.00 0.00 O ATOM 821 CB GLU A 56 10.676 6.466 4.882 1.00 0.00 C ATOM 822 CG GLU A 56 9.725 6.786 6.023 1.00 0.00 C ATOM 823 CD GLU A 56 10.411 7.506 7.168 1.00 0.00 C ATOM 824 OE1 GLU A 56 10.564 8.742 7.086 1.00 0.00 O ATOM 825 OE2 GLU A 56 10.793 6.831 8.148 1.00 0.00 O ATOM 0 H GLU A 56 11.488 6.044 2.185 1.00 0.00 H new ATOM 0 HA GLU A 56 9.282 5.139 3.924 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.406 5.732 5.223 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.230 7.367 4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.908 7.402 5.648 1.00 0.00 H new ATOM 0 HG3 GLU A 56 9.283 5.861 6.393 1.00 0.00 H new ATOM 832 N GLU A 57 7.966 6.722 2.529 1.00 0.00 N ATOM 833 CA GLU A 57 7.106 7.697 1.869 1.00 0.00 C ATOM 834 C GLU A 57 5.962 8.122 2.784 1.00 0.00 C ATOM 835 O GLU A 57 4.972 7.410 2.954 1.00 0.00 O ATOM 836 CB GLU A 57 6.545 7.118 0.568 1.00 0.00 C ATOM 837 CG GLU A 57 6.314 8.160 -0.512 1.00 0.00 C ATOM 838 CD GLU A 57 7.449 9.161 -0.610 1.00 0.00 C ATOM 839 OE1 GLU A 57 8.615 8.726 -0.717 1.00 0.00 O ATOM 840 OE2 GLU A 57 7.172 10.378 -0.580 1.00 0.00 O ATOM 0 H GLU A 57 7.555 5.793 2.625 1.00 0.00 H new ATOM 0 HA GLU A 57 7.708 8.576 1.637 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.233 6.362 0.190 1.00 0.00 H new ATOM 0 HB3 GLU A 57 5.603 6.613 0.781 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.191 7.661 -1.473 1.00 0.00 H new ATOM 0 HG3 GLU A 57 5.384 8.690 -0.307 1.00 0.00 H new ATOM 847 N PRO A 58 6.100 9.311 3.390 1.00 0.00 N ATOM 848 CA PRO A 58 5.088 9.858 4.299 1.00 0.00 C ATOM 849 C PRO A 58 3.814 10.268 3.568 1.00 0.00 C ATOM 850 O PRO A 58 2.714 9.872 3.952 1.00 0.00 O ATOM 851 CB PRO A 58 5.778 11.086 4.899 1.00 0.00 C ATOM 852 CG PRO A 58 6.789 11.488 3.882 1.00 0.00 C ATOM 853 CD PRO A 58 7.253 10.213 3.234 1.00 0.00 C ATOM 0 HA PRO A 58 4.768 9.126 5.041 1.00 0.00 H new ATOM 0 HB2 PRO A 58 5.065 11.889 5.087 1.00 0.00 H new ATOM 0 HB3 PRO A 58 6.249 10.849 5.853 1.00 0.00 H new ATOM 0 HG2 PRO A 58 6.355 12.164 3.146 1.00 0.00 H new ATOM 0 HG3 PRO A 58 7.622 12.015 4.347 1.00 0.00 H new ATOM 0 HD2 PRO A 58 7.505 10.365 2.184 1.00 0.00 H new ATOM 0 HD3 PRO A 58 8.143 9.815 3.722 1.00 0.00 H new ATOM 861 N GLU A 59 3.970 11.062 2.514 1.00 0.00 N ATOM 862 CA GLU A 59 2.831 11.525 1.731 1.00 0.00 C ATOM 863 C GLU A 59 2.878 10.959 0.314 1.00 0.00 C ATOM 864 O GLU A 59 3.525 11.521 -0.570 1.00 0.00 O ATOM 865 CB GLU A 59 2.805 13.054 1.680 1.00 0.00 C ATOM 866 CG GLU A 59 1.480 13.625 1.204 1.00 0.00 C ATOM 867 CD GLU A 59 0.513 13.881 2.344 1.00 0.00 C ATOM 868 OE1 GLU A 59 0.496 13.078 3.300 1.00 0.00 O ATOM 869 OE2 GLU A 59 -0.228 14.884 2.278 1.00 0.00 O ATOM 0 H GLU A 59 4.874 11.398 2.183 1.00 0.00 H new ATOM 0 HA GLU A 59 1.922 11.170 2.216 1.00 0.00 H new ATOM 0 HB2 GLU A 59 3.024 13.446 2.673 1.00 0.00 H new ATOM 0 HB3 GLU A 59 3.599 13.401 1.018 1.00 0.00 H new ATOM 0 HG2 GLU A 59 1.661 14.558 0.670 1.00 0.00 H new ATOM 0 HG3 GLU A 59 1.025 12.934 0.494 1.00 0.00 H new ATOM 876 N LEU A 60 2.190 9.842 0.107 1.00 0.00 N ATOM 877 CA LEU A 60 2.153 9.198 -1.202 1.00 0.00 C ATOM 878 C LEU A 60 0.892 9.590 -1.966 1.00 0.00 C ATOM 879 O LEU A 60 -0.224 9.308 -1.530 1.00 0.00 O ATOM 880 CB LEU A 60 2.216 7.677 -1.046 1.00 0.00 C ATOM 881 CG LEU A 60 1.940 6.861 -2.309 1.00 0.00 C ATOM 882 CD1 LEU A 60 0.458 6.890 -2.650 1.00 0.00 C ATOM 883 CD2 LEU A 60 2.768 7.384 -3.473 1.00 0.00 C ATOM 0 H LEU A 60 1.650 9.363 0.828 1.00 0.00 H new ATOM 0 HA LEU A 60 3.020 9.535 -1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 60 3.205 7.411 -0.674 1.00 0.00 H new ATOM 0 HB3 LEU A 60 1.498 7.380 -0.282 1.00 0.00 H new ATOM 0 HG LEU A 60 2.228 5.827 -2.121 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.281 6.304 -3.552 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -0.114 6.467 -1.824 1.00 0.00 H new ATOM 0 HD13 LEU A 60 0.144 7.920 -2.819 1.00 0.00 H new ATOM 0 HD21 LEU A 60 2.559 6.791 -4.364 1.00 0.00 H new ATOM 0 HD22 LEU A 60 2.512 8.426 -3.662 1.00 0.00 H new ATOM 0 HD23 LEU A 60 3.828 7.309 -3.228 1.00 0.00 H new ATOM 895 N VAL A 61 1.078 10.240 -3.110 1.00 0.00 N ATOM 896 CA VAL A 61 -0.043 10.668 -3.938 1.00 0.00 C ATOM 897 C VAL A 61 0.055 10.082 -5.342 1.00 0.00 C ATOM 898 O VAL A 61 1.149 9.920 -5.883 1.00 0.00 O ATOM 899 CB VAL A 61 -0.114 12.203 -4.038 1.00 0.00 C ATOM 900 CG1 VAL A 61 1.178 12.761 -4.616 1.00 0.00 C ATOM 901 CG2 VAL A 61 -1.310 12.628 -4.875 1.00 0.00 C ATOM 0 H VAL A 61 1.995 10.482 -3.485 1.00 0.00 H new ATOM 0 HA VAL A 61 -0.949 10.301 -3.457 1.00 0.00 H new ATOM 0 HB VAL A 61 -0.240 12.609 -3.034 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.109 13.847 -4.679 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.013 12.487 -3.971 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.339 12.349 -5.612 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.344 13.716 -4.935 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -1.218 12.212 -5.878 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.226 12.261 -4.413 1.00 0.00 H new ATOM 911 N PHE A 62 -1.096 9.767 -5.928 1.00 0.00 N ATOM 912 CA PHE A 62 -1.140 9.199 -7.270 1.00 0.00 C ATOM 913 C PHE A 62 -2.550 9.279 -7.848 1.00 0.00 C ATOM 914 O PHE A 62 -3.488 9.702 -7.172 1.00 0.00 O ATOM 915 CB PHE A 62 -0.668 7.743 -7.246 1.00 0.00 C ATOM 916 CG PHE A 62 -1.603 6.822 -6.517 1.00 0.00 C ATOM 917 CD1 PHE A 62 -2.860 6.542 -7.029 1.00 0.00 C ATOM 918 CD2 PHE A 62 -1.225 6.234 -5.321 1.00 0.00 C ATOM 919 CE1 PHE A 62 -3.723 5.695 -6.360 1.00 0.00 C ATOM 920 CE2 PHE A 62 -2.084 5.386 -4.647 1.00 0.00 C ATOM 921 CZ PHE A 62 -3.334 5.115 -5.168 1.00 0.00 C ATOM 0 H PHE A 62 -2.010 9.896 -5.494 1.00 0.00 H new ATOM 0 HA PHE A 62 -0.472 9.780 -7.906 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -0.550 7.391 -8.271 1.00 0.00 H new ATOM 0 HB3 PHE A 62 0.315 7.696 -6.777 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -3.169 6.991 -7.962 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -0.248 6.440 -4.910 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.701 5.487 -6.769 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -1.778 4.936 -3.714 1.00 0.00 H new ATOM 0 HZ PHE A 62 -4.006 4.451 -4.645 1.00 0.00 H new ATOM 931 N THR A 63 -2.692 8.869 -9.105 1.00 0.00 N ATOM 932 CA THR A 63 -3.985 8.895 -9.776 1.00 0.00 C ATOM 933 C THR A 63 -4.569 7.493 -9.899 1.00 0.00 C ATOM 934 O THR A 63 -4.252 6.756 -10.834 1.00 0.00 O ATOM 935 CB THR A 63 -3.877 9.519 -11.180 1.00 0.00 C ATOM 936 OG1 THR A 63 -3.357 10.850 -11.086 1.00 0.00 O ATOM 937 CG2 THR A 63 -5.234 9.547 -11.866 1.00 0.00 C ATOM 0 H THR A 63 -1.926 8.515 -9.679 1.00 0.00 H new ATOM 0 HA THR A 63 -4.646 9.508 -9.164 1.00 0.00 H new ATOM 0 HB THR A 63 -3.200 8.906 -11.775 1.00 0.00 H new ATOM 0 HG1 THR A 63 -3.290 11.239 -11.983 1.00 0.00 H new ATOM 0 HG21 THR A 63 -5.132 9.992 -12.856 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.614 8.530 -11.963 1.00 0.00 H new ATOM 0 HG23 THR A 63 -5.930 10.139 -11.272 1.00 0.00 H new ATOM 945 N LEU A 64 -5.425 7.128 -8.951 1.00 0.00 N ATOM 946 CA LEU A 64 -6.055 5.812 -8.953 1.00 0.00 C ATOM 947 C LEU A 64 -6.578 5.462 -10.343 1.00 0.00 C ATOM 948 O LEU A 64 -7.140 6.308 -11.037 1.00 0.00 O ATOM 949 CB LEU A 64 -7.200 5.771 -7.940 1.00 0.00 C ATOM 950 CG LEU A 64 -7.780 4.389 -7.639 1.00 0.00 C ATOM 951 CD1 LEU A 64 -6.744 3.513 -6.952 1.00 0.00 C ATOM 952 CD2 LEU A 64 -9.031 4.511 -6.780 1.00 0.00 C ATOM 0 H LEU A 64 -5.699 7.725 -8.171 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.303 5.075 -8.671 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -6.847 6.206 -7.005 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -8.005 6.409 -8.305 1.00 0.00 H new ATOM 0 HG LEU A 64 -8.055 3.919 -8.583 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -7.175 2.533 -6.746 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -5.876 3.398 -7.602 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.437 3.979 -6.016 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -9.430 3.518 -6.576 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -8.780 5.002 -5.840 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -9.779 5.101 -7.309 1.00 0.00 H new ATOM 964 N GLY A 65 -6.391 4.207 -10.741 1.00 0.00 N ATOM 965 CA GLY A 65 -6.851 3.766 -12.045 1.00 0.00 C ATOM 966 C GLY A 65 -5.711 3.553 -13.021 1.00 0.00 C ATOM 967 O GLY A 65 -5.772 2.666 -13.873 1.00 0.00 O ATOM 0 H GLY A 65 -5.929 3.488 -10.184 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -7.409 2.836 -11.935 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -7.541 4.505 -12.453 1.00 0.00 H new ATOM 971 N ASP A 66 -4.670 4.369 -12.899 1.00 0.00 N ATOM 972 CA ASP A 66 -3.511 4.266 -13.778 1.00 0.00 C ATOM 973 C ASP A 66 -2.440 3.371 -13.163 1.00 0.00 C ATOM 974 O ASP A 66 -1.484 2.979 -13.833 1.00 0.00 O ATOM 975 CB ASP A 66 -2.933 5.654 -14.060 1.00 0.00 C ATOM 976 CG ASP A 66 -2.231 5.727 -15.402 1.00 0.00 C ATOM 977 OD1 ASP A 66 -1.520 4.763 -15.752 1.00 0.00 O ATOM 978 OD2 ASP A 66 -2.394 6.749 -16.102 1.00 0.00 O ATOM 0 H ASP A 66 -4.605 5.109 -12.200 1.00 0.00 H new ATOM 0 HA ASP A 66 -3.837 3.819 -14.717 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -3.736 6.391 -14.032 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.230 5.919 -13.270 1.00 0.00 H new ATOM 983 N CYS A 67 -2.607 3.051 -11.885 1.00 0.00 N ATOM 984 CA CYS A 67 -1.653 2.203 -11.178 1.00 0.00 C ATOM 985 C CYS A 67 -0.249 2.796 -11.239 1.00 0.00 C ATOM 986 O CYS A 67 0.725 2.086 -11.489 1.00 0.00 O ATOM 987 CB CYS A 67 -1.651 0.795 -11.774 1.00 0.00 C ATOM 988 SG CYS A 67 -3.289 0.037 -11.882 1.00 0.00 S ATOM 0 H CYS A 67 -3.394 3.366 -11.317 1.00 0.00 H new ATOM 0 HA CYS A 67 -1.959 2.147 -10.133 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -1.214 0.835 -12.772 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -1.006 0.157 -11.169 1.00 0.00 H new ATOM 0 HG CYS A 67 -4.014 0.426 -10.876 1.00 0.00 H new ATOM 994 N ASP A 68 -0.154 4.101 -11.010 1.00 0.00 N ATOM 995 CA ASP A 68 1.131 4.790 -11.039 1.00 0.00 C ATOM 996 C ASP A 68 2.025 4.322 -9.895 1.00 0.00 C ATOM 997 O ASP A 68 3.239 4.529 -9.917 1.00 0.00 O ATOM 998 CB ASP A 68 0.925 6.303 -10.955 1.00 0.00 C ATOM 999 CG ASP A 68 0.747 6.940 -12.319 1.00 0.00 C ATOM 1000 OD1 ASP A 68 1.571 6.662 -13.216 1.00 0.00 O ATOM 1001 OD2 ASP A 68 -0.215 7.717 -12.490 1.00 0.00 O ATOM 0 H ASP A 68 -0.951 4.703 -10.802 1.00 0.00 H new ATOM 0 HA ASP A 68 1.622 4.550 -11.982 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.049 6.514 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 68 1.781 6.756 -10.455 1.00 0.00 H new ATOM 1006 N VAL A 69 1.417 3.692 -8.895 1.00 0.00 N ATOM 1007 CA VAL A 69 2.158 3.194 -7.742 1.00 0.00 C ATOM 1008 C VAL A 69 2.239 1.672 -7.756 1.00 0.00 C ATOM 1009 O VAL A 69 1.728 1.021 -8.669 1.00 0.00 O ATOM 1010 CB VAL A 69 1.511 3.650 -6.421 1.00 0.00 C ATOM 1011 CG1 VAL A 69 1.717 5.143 -6.212 1.00 0.00 C ATOM 1012 CG2 VAL A 69 0.031 3.300 -6.404 1.00 0.00 C ATOM 0 H VAL A 69 0.413 3.514 -8.860 1.00 0.00 H new ATOM 0 HA VAL A 69 3.164 3.609 -7.809 1.00 0.00 H new ATOM 0 HB VAL A 69 1.995 3.123 -5.599 1.00 0.00 H new ATOM 0 HG11 VAL A 69 1.253 5.446 -5.274 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.784 5.362 -6.176 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.262 5.692 -7.036 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.410 3.629 -5.463 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -0.470 3.798 -7.234 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.089 2.221 -6.503 1.00 0.00 H new ATOM 1022 N ILE A 70 2.884 1.110 -6.740 1.00 0.00 N ATOM 1023 CA ILE A 70 3.031 -0.337 -6.635 1.00 0.00 C ATOM 1024 C ILE A 70 1.717 -1.046 -6.942 1.00 0.00 C ATOM 1025 O ILE A 70 0.639 -0.532 -6.646 1.00 0.00 O ATOM 1026 CB ILE A 70 3.511 -0.753 -5.232 1.00 0.00 C ATOM 1027 CG1 ILE A 70 4.596 0.204 -4.735 1.00 0.00 C ATOM 1028 CG2 ILE A 70 4.027 -2.184 -5.252 1.00 0.00 C ATOM 1029 CD1 ILE A 70 5.643 0.524 -5.778 1.00 0.00 C ATOM 0 H ILE A 70 3.313 1.634 -5.978 1.00 0.00 H new ATOM 0 HA ILE A 70 3.781 -0.633 -7.369 1.00 0.00 H new ATOM 0 HB ILE A 70 2.666 -0.702 -4.545 1.00 0.00 H new ATOM 0 HG12 ILE A 70 4.128 1.131 -4.405 1.00 0.00 H new ATOM 0 HG13 ILE A 70 5.084 -0.234 -3.864 1.00 0.00 H new ATOM 0 HG21 ILE A 70 4.363 -2.464 -4.253 1.00 0.00 H new ATOM 0 HG22 ILE A 70 3.228 -2.855 -5.567 1.00 0.00 H new ATOM 0 HG23 ILE A 70 4.861 -2.260 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 70 6.380 1.207 -5.356 1.00 0.00 H new ATOM 0 HD12 ILE A 70 6.138 -0.395 -6.091 1.00 0.00 H new ATOM 0 HD13 ILE A 70 5.167 0.991 -6.640 1.00 0.00 H new ATOM 1041 N GLN A 71 1.816 -2.231 -7.537 1.00 0.00 N ATOM 1042 CA GLN A 71 0.634 -3.012 -7.884 1.00 0.00 C ATOM 1043 C GLN A 71 -0.053 -3.544 -6.631 1.00 0.00 C ATOM 1044 O GLN A 71 -1.197 -3.995 -6.682 1.00 0.00 O ATOM 1045 CB GLN A 71 1.016 -4.174 -8.803 1.00 0.00 C ATOM 1046 CG GLN A 71 0.984 -3.816 -10.280 1.00 0.00 C ATOM 1047 CD GLN A 71 1.087 -5.034 -11.177 1.00 0.00 C ATOM 1048 OE1 GLN A 71 2.159 -5.352 -11.691 1.00 0.00 O ATOM 1049 NE2 GLN A 71 -0.032 -5.723 -11.370 1.00 0.00 N ATOM 0 H GLN A 71 2.701 -2.671 -7.788 1.00 0.00 H new ATOM 0 HA GLN A 71 -0.062 -2.357 -8.408 1.00 0.00 H new ATOM 0 HB2 GLN A 71 2.017 -4.519 -8.543 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.336 -5.007 -8.624 1.00 0.00 H new ATOM 0 HG2 GLN A 71 0.059 -3.284 -10.501 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.805 -3.135 -10.503 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.899 -5.423 -10.924 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -0.024 -6.552 -11.964 1.00 0.00 H new ATOM 1058 N ALA A 72 0.653 -3.489 -5.506 1.00 0.00 N ATOM 1059 CA ALA A 72 0.110 -3.965 -4.239 1.00 0.00 C ATOM 1060 C ALA A 72 -0.548 -2.829 -3.463 1.00 0.00 C ATOM 1061 O ALA A 72 -1.264 -3.062 -2.488 1.00 0.00 O ATOM 1062 CB ALA A 72 1.205 -4.611 -3.405 1.00 0.00 C ATOM 0 H ALA A 72 1.602 -3.120 -5.446 1.00 0.00 H new ATOM 0 HA ALA A 72 -0.654 -4.712 -4.457 1.00 0.00 H new ATOM 0 HB1 ALA A 72 0.785 -4.962 -2.462 1.00 0.00 H new ATOM 0 HB2 ALA A 72 1.628 -5.455 -3.950 1.00 0.00 H new ATOM 0 HB3 ALA A 72 1.988 -3.880 -3.204 1.00 0.00 H new ATOM 1068 N LEU A 73 -0.302 -1.599 -3.901 1.00 0.00 N ATOM 1069 CA LEU A 73 -0.870 -0.426 -3.247 1.00 0.00 C ATOM 1070 C LEU A 73 -2.101 0.073 -3.997 1.00 0.00 C ATOM 1071 O LEU A 73 -3.120 0.401 -3.389 1.00 0.00 O ATOM 1072 CB LEU A 73 0.174 0.689 -3.159 1.00 0.00 C ATOM 1073 CG LEU A 73 -0.373 2.112 -3.032 1.00 0.00 C ATOM 1074 CD1 LEU A 73 -1.126 2.279 -1.721 1.00 0.00 C ATOM 1075 CD2 LEU A 73 0.756 3.127 -3.134 1.00 0.00 C ATOM 0 H LEU A 73 0.287 -1.388 -4.707 1.00 0.00 H new ATOM 0 HA LEU A 73 -1.172 -0.713 -2.240 1.00 0.00 H new ATOM 0 HB2 LEU A 73 0.817 0.490 -2.302 1.00 0.00 H new ATOM 0 HB3 LEU A 73 0.804 0.641 -4.048 1.00 0.00 H new ATOM 0 HG LEU A 73 -1.069 2.289 -3.852 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -1.508 3.297 -1.648 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -1.958 1.576 -1.687 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -0.452 2.084 -0.887 1.00 0.00 H new ATOM 0 HD21 LEU A 73 0.349 4.134 -3.042 1.00 0.00 H new ATOM 0 HD22 LEU A 73 1.476 2.952 -2.335 1.00 0.00 H new ATOM 0 HD23 LEU A 73 1.252 3.023 -4.099 1.00 0.00 H new ATOM 1087 N ASP A 74 -2.000 0.127 -5.321 1.00 0.00 N ATOM 1088 CA ASP A 74 -3.106 0.582 -6.154 1.00 0.00 C ATOM 1089 C ASP A 74 -4.228 -0.451 -6.180 1.00 0.00 C ATOM 1090 O ASP A 74 -5.406 -0.101 -6.274 1.00 0.00 O ATOM 1091 CB ASP A 74 -2.619 0.860 -7.577 1.00 0.00 C ATOM 1092 CG ASP A 74 -3.426 1.944 -8.264 1.00 0.00 C ATOM 1093 OD1 ASP A 74 -4.445 1.610 -8.903 1.00 0.00 O ATOM 1094 OD2 ASP A 74 -3.038 3.127 -8.163 1.00 0.00 O ATOM 0 H ASP A 74 -1.163 -0.139 -5.840 1.00 0.00 H new ATOM 0 HA ASP A 74 -3.496 1.505 -5.725 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -1.570 1.155 -7.548 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -2.676 -0.057 -8.163 1.00 0.00 H new ATOM 1099 N LEU A 75 -3.856 -1.723 -6.097 1.00 0.00 N ATOM 1100 CA LEU A 75 -4.831 -2.808 -6.111 1.00 0.00 C ATOM 1101 C LEU A 75 -5.457 -2.996 -4.733 1.00 0.00 C ATOM 1102 O LEU A 75 -6.395 -3.776 -4.567 1.00 0.00 O ATOM 1103 CB LEU A 75 -4.169 -4.110 -6.566 1.00 0.00 C ATOM 1104 CG LEU A 75 -3.789 -4.189 -8.045 1.00 0.00 C ATOM 1105 CD1 LEU A 75 -3.236 -2.856 -8.526 1.00 0.00 C ATOM 1106 CD2 LEU A 75 -2.778 -5.303 -8.277 1.00 0.00 C ATOM 0 H LEU A 75 -2.886 -2.029 -6.019 1.00 0.00 H new ATOM 0 HA LEU A 75 -5.620 -2.544 -6.815 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -3.268 -4.263 -5.971 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.844 -4.935 -6.340 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.687 -4.415 -8.620 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.971 -2.931 -9.581 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -3.991 -2.081 -8.396 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -2.349 -2.600 -7.946 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -2.519 -5.345 -9.335 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.880 -5.107 -7.691 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.210 -6.256 -7.971 1.00 0.00 H new ATOM 1118 N SER A 76 -4.932 -2.276 -3.747 1.00 0.00 N ATOM 1119 CA SER A 76 -5.438 -2.365 -2.382 1.00 0.00 C ATOM 1120 C SER A 76 -6.160 -1.080 -1.986 1.00 0.00 C ATOM 1121 O SER A 76 -7.097 -1.102 -1.188 1.00 0.00 O ATOM 1122 CB SER A 76 -4.291 -2.640 -1.408 1.00 0.00 C ATOM 1123 OG SER A 76 -3.602 -1.446 -1.081 1.00 0.00 O ATOM 0 H SER A 76 -4.156 -1.625 -3.868 1.00 0.00 H new ATOM 0 HA SER A 76 -6.149 -3.190 -2.337 1.00 0.00 H new ATOM 0 HB2 SER A 76 -4.683 -3.098 -0.500 1.00 0.00 H new ATOM 0 HB3 SER A 76 -3.597 -3.354 -1.851 1.00 0.00 H new ATOM 0 HG SER A 76 -3.458 -0.918 -1.894 1.00 0.00 H new ATOM 1129 N VAL A 77 -5.716 0.039 -2.549 1.00 0.00 N ATOM 1130 CA VAL A 77 -6.319 1.334 -2.256 1.00 0.00 C ATOM 1131 C VAL A 77 -7.836 1.277 -2.395 1.00 0.00 C ATOM 1132 O VAL A 77 -8.581 1.604 -1.471 1.00 0.00 O ATOM 1133 CB VAL A 77 -5.770 2.432 -3.187 1.00 0.00 C ATOM 1134 CG1 VAL A 77 -6.808 3.525 -3.393 1.00 0.00 C ATOM 1135 CG2 VAL A 77 -4.480 3.009 -2.626 1.00 0.00 C ATOM 0 H VAL A 77 -4.941 0.075 -3.211 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.060 1.579 -1.226 1.00 0.00 H new ATOM 0 HB VAL A 77 -5.550 1.986 -4.157 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -6.403 4.292 -4.053 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -7.704 3.096 -3.842 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -7.062 3.971 -2.432 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.106 3.783 -3.296 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -4.672 3.441 -1.644 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -3.736 2.217 -2.535 1.00 0.00 H new ATOM 1145 N PRO A 78 -8.307 0.851 -3.576 1.00 0.00 N ATOM 1146 CA PRO A 78 -9.740 0.740 -3.864 1.00 0.00 C ATOM 1147 C PRO A 78 -10.403 -0.389 -3.082 1.00 0.00 C ATOM 1148 O PRO A 78 -11.592 -0.662 -3.252 1.00 0.00 O ATOM 1149 CB PRO A 78 -9.779 0.446 -5.365 1.00 0.00 C ATOM 1150 CG PRO A 78 -8.465 -0.191 -5.660 1.00 0.00 C ATOM 1151 CD PRO A 78 -7.477 0.445 -4.722 1.00 0.00 C ATOM 0 HA PRO A 78 -10.284 1.640 -3.578 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -10.606 -0.218 -5.617 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -9.915 1.359 -5.944 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -8.511 -1.269 -5.506 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -8.177 -0.029 -6.699 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -6.697 -0.256 -4.425 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -6.980 1.300 -5.181 1.00 0.00 H new ATOM 1159 N LEU A 79 -9.627 -1.042 -2.224 1.00 0.00 N ATOM 1160 CA LEU A 79 -10.139 -2.143 -1.415 1.00 0.00 C ATOM 1161 C LEU A 79 -10.198 -1.754 0.059 1.00 0.00 C ATOM 1162 O LEU A 79 -10.306 -2.612 0.934 1.00 0.00 O ATOM 1163 CB LEU A 79 -9.262 -3.383 -1.592 1.00 0.00 C ATOM 1164 CG LEU A 79 -9.028 -3.840 -3.032 1.00 0.00 C ATOM 1165 CD1 LEU A 79 -8.454 -5.248 -3.060 1.00 0.00 C ATOM 1166 CD2 LEU A 79 -10.322 -3.774 -3.830 1.00 0.00 C ATOM 0 H LEU A 79 -8.641 -0.828 -2.070 1.00 0.00 H new ATOM 0 HA LEU A 79 -11.150 -2.370 -1.753 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.293 -3.187 -1.132 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -9.716 -4.206 -1.040 1.00 0.00 H new ATOM 0 HG LEU A 79 -8.305 -3.166 -3.493 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -8.294 -5.555 -4.094 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -7.504 -5.264 -2.526 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -9.152 -5.935 -2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -10.136 -4.103 -4.852 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.067 -4.423 -3.370 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.691 -2.749 -3.840 1.00 0.00 H new ATOM 1178 N MET A 80 -10.127 -0.454 0.326 1.00 0.00 N ATOM 1179 CA MET A 80 -10.176 0.049 1.694 1.00 0.00 C ATOM 1180 C MET A 80 -10.861 1.411 1.748 1.00 0.00 C ATOM 1181 O MET A 80 -10.673 2.247 0.864 1.00 0.00 O ATOM 1182 CB MET A 80 -8.763 0.153 2.272 1.00 0.00 C ATOM 1183 CG MET A 80 -7.774 0.834 1.341 1.00 0.00 C ATOM 1184 SD MET A 80 -6.059 0.462 1.757 1.00 0.00 S ATOM 1185 CE MET A 80 -5.985 1.055 3.446 1.00 0.00 C ATOM 0 H MET A 80 -10.035 0.270 -0.387 1.00 0.00 H new ATOM 0 HA MET A 80 -10.756 -0.654 2.293 1.00 0.00 H new ATOM 0 HB2 MET A 80 -8.803 0.704 3.212 1.00 0.00 H new ATOM 0 HB3 MET A 80 -8.400 -0.848 2.505 1.00 0.00 H new ATOM 0 HG2 MET A 80 -7.971 0.521 0.316 1.00 0.00 H new ATOM 0 HG3 MET A 80 -7.928 1.912 1.380 1.00 0.00 H new ATOM 0 HE1 MET A 80 -4.959 0.993 3.809 1.00 0.00 H new ATOM 0 HE2 MET A 80 -6.321 2.091 3.483 1.00 0.00 H new ATOM 0 HE3 MET A 80 -6.630 0.442 4.075 1.00 0.00 H new ATOM 1195 N ASP A 81 -11.656 1.626 2.790 1.00 0.00 N ATOM 1196 CA ASP A 81 -12.369 2.887 2.960 1.00 0.00 C ATOM 1197 C ASP A 81 -11.407 4.009 3.336 1.00 0.00 C ATOM 1198 O ASP A 81 -10.314 3.760 3.845 1.00 0.00 O ATOM 1199 CB ASP A 81 -13.451 2.746 4.033 1.00 0.00 C ATOM 1200 CG ASP A 81 -14.121 1.386 4.003 1.00 0.00 C ATOM 1201 OD1 ASP A 81 -13.533 0.424 4.540 1.00 0.00 O ATOM 1202 OD2 ASP A 81 -15.232 1.283 3.443 1.00 0.00 O ATOM 0 H ASP A 81 -11.823 0.944 3.530 1.00 0.00 H new ATOM 0 HA ASP A 81 -12.840 3.139 2.010 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -13.008 2.908 5.016 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -14.203 3.522 3.891 1.00 0.00 H new ATOM 1207 N VAL A 82 -11.820 5.247 3.082 1.00 0.00 N ATOM 1208 CA VAL A 82 -10.995 6.408 3.393 1.00 0.00 C ATOM 1209 C VAL A 82 -10.900 6.626 4.899 1.00 0.00 C ATOM 1210 O VAL A 82 -11.890 6.947 5.554 1.00 0.00 O ATOM 1211 CB VAL A 82 -11.550 7.684 2.734 1.00 0.00 C ATOM 1212 CG1 VAL A 82 -12.995 7.915 3.151 1.00 0.00 C ATOM 1213 CG2 VAL A 82 -10.687 8.885 3.089 1.00 0.00 C ATOM 0 H VAL A 82 -12.722 5.471 2.661 1.00 0.00 H new ATOM 0 HA VAL A 82 -10.001 6.206 2.994 1.00 0.00 H new ATOM 0 HB VAL A 82 -11.525 7.554 1.652 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -13.370 8.821 2.676 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -13.603 7.065 2.842 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -13.048 8.025 4.234 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -11.094 9.778 2.615 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -10.679 9.020 4.171 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -9.669 8.719 2.736 1.00 0.00 H new ATOM 1223 N GLY A 83 -9.699 6.450 5.443 1.00 0.00 N ATOM 1224 CA GLY A 83 -9.496 6.632 6.868 1.00 0.00 C ATOM 1225 C GLY A 83 -9.204 5.328 7.583 1.00 0.00 C ATOM 1226 O GLY A 83 -9.263 5.260 8.811 1.00 0.00 O ATOM 0 H GLY A 83 -8.863 6.185 4.922 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -8.669 7.324 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -10.384 7.090 7.303 1.00 0.00 H new ATOM 1230 N GLU A 84 -8.891 4.290 6.815 1.00 0.00 N ATOM 1231 CA GLU A 84 -8.592 2.981 7.384 1.00 0.00 C ATOM 1232 C GLU A 84 -7.179 2.538 7.015 1.00 0.00 C ATOM 1233 O GLU A 84 -6.774 2.614 5.855 1.00 0.00 O ATOM 1234 CB GLU A 84 -9.607 1.945 6.898 1.00 0.00 C ATOM 1235 CG GLU A 84 -9.077 0.521 6.911 1.00 0.00 C ATOM 1236 CD GLU A 84 -10.038 -0.465 6.277 1.00 0.00 C ATOM 1237 OE1 GLU A 84 -11.067 -0.782 6.909 1.00 0.00 O ATOM 1238 OE2 GLU A 84 -9.761 -0.920 5.147 1.00 0.00 O ATOM 0 H GLU A 84 -8.838 4.330 5.797 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.657 3.061 8.469 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -10.497 1.998 7.525 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.916 2.199 5.884 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -8.125 0.487 6.381 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -8.880 0.220 7.940 1.00 0.00 H new ATOM 1245 N THR A 85 -6.432 2.073 8.012 1.00 0.00 N ATOM 1246 CA THR A 85 -5.064 1.619 7.794 1.00 0.00 C ATOM 1247 C THR A 85 -5.021 0.121 7.513 1.00 0.00 C ATOM 1248 O THR A 85 -5.369 -0.691 8.370 1.00 0.00 O ATOM 1249 CB THR A 85 -4.169 1.928 9.009 1.00 0.00 C ATOM 1250 OG1 THR A 85 -4.136 3.340 9.247 1.00 0.00 O ATOM 1251 CG2 THR A 85 -2.755 1.413 8.785 1.00 0.00 C ATOM 0 H THR A 85 -6.751 2.001 8.978 1.00 0.00 H new ATOM 0 HA THR A 85 -4.685 2.160 6.927 1.00 0.00 H new ATOM 0 HB THR A 85 -4.589 1.423 9.879 1.00 0.00 H new ATOM 0 HG1 THR A 85 -3.566 3.528 10.022 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.142 1.643 9.656 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.781 0.334 8.634 1.00 0.00 H new ATOM 0 HG23 THR A 85 -2.328 1.893 7.904 1.00 0.00 H new ATOM 1259 N ALA A 86 -4.590 -0.238 6.309 1.00 0.00 N ATOM 1260 CA ALA A 86 -4.498 -1.639 5.916 1.00 0.00 C ATOM 1261 C ALA A 86 -3.106 -1.972 5.391 1.00 0.00 C ATOM 1262 O ALA A 86 -2.465 -1.148 4.740 1.00 0.00 O ATOM 1263 CB ALA A 86 -5.552 -1.964 4.868 1.00 0.00 C ATOM 0 H ALA A 86 -4.299 0.422 5.588 1.00 0.00 H new ATOM 0 HA ALA A 86 -4.680 -2.251 6.800 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -5.471 -3.013 4.584 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.544 -1.774 5.278 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.397 -1.338 3.990 1.00 0.00 H new ATOM 1269 N MET A 87 -2.644 -3.185 5.678 1.00 0.00 N ATOM 1270 CA MET A 87 -1.327 -3.626 5.233 1.00 0.00 C ATOM 1271 C MET A 87 -1.442 -4.536 4.015 1.00 0.00 C ATOM 1272 O MET A 87 -2.502 -5.102 3.748 1.00 0.00 O ATOM 1273 CB MET A 87 -0.602 -4.357 6.365 1.00 0.00 C ATOM 1274 CG MET A 87 0.782 -4.854 5.978 1.00 0.00 C ATOM 1275 SD MET A 87 1.834 -5.164 7.409 1.00 0.00 S ATOM 1276 CE MET A 87 2.505 -3.528 7.697 1.00 0.00 C ATOM 0 H MET A 87 -3.162 -3.880 6.216 1.00 0.00 H new ATOM 0 HA MET A 87 -0.751 -2.744 4.952 1.00 0.00 H new ATOM 0 HB2 MET A 87 -0.513 -3.688 7.221 1.00 0.00 H new ATOM 0 HB3 MET A 87 -1.207 -5.205 6.686 1.00 0.00 H new ATOM 0 HG2 MET A 87 0.685 -5.772 5.398 1.00 0.00 H new ATOM 0 HG3 MET A 87 1.261 -4.118 5.333 1.00 0.00 H new ATOM 0 HE1 MET A 87 3.121 -3.541 8.596 1.00 0.00 H new ATOM 0 HE2 MET A 87 3.114 -3.229 6.844 1.00 0.00 H new ATOM 0 HE3 MET A 87 1.689 -2.818 7.827 1.00 0.00 H new ATOM 1286 N VAL A 88 -0.344 -4.674 3.279 1.00 0.00 N ATOM 1287 CA VAL A 88 -0.321 -5.516 2.089 1.00 0.00 C ATOM 1288 C VAL A 88 1.029 -6.206 1.930 1.00 0.00 C ATOM 1289 O VAL A 88 2.078 -5.564 1.990 1.00 0.00 O ATOM 1290 CB VAL A 88 -0.621 -4.700 0.818 1.00 0.00 C ATOM 1291 CG1 VAL A 88 -1.943 -3.960 0.958 1.00 0.00 C ATOM 1292 CG2 VAL A 88 0.514 -3.730 0.527 1.00 0.00 C ATOM 0 H VAL A 88 0.542 -4.213 3.486 1.00 0.00 H new ATOM 0 HA VAL A 88 -1.098 -6.269 2.220 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.705 -5.388 -0.023 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.138 -3.389 0.050 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -2.747 -4.679 1.115 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -1.892 -3.282 1.810 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.285 -3.162 -0.375 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.632 -3.046 1.367 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.440 -4.287 0.380 1.00 0.00 H new ATOM 1302 N THR A 89 0.996 -7.519 1.725 1.00 0.00 N ATOM 1303 CA THR A 89 2.216 -8.298 1.557 1.00 0.00 C ATOM 1304 C THR A 89 2.140 -9.179 0.316 1.00 0.00 C ATOM 1305 O THR A 89 1.515 -10.239 0.333 1.00 0.00 O ATOM 1306 CB THR A 89 2.490 -9.185 2.787 1.00 0.00 C ATOM 1307 OG1 THR A 89 1.338 -9.981 3.083 1.00 0.00 O ATOM 1308 CG2 THR A 89 2.851 -8.336 3.996 1.00 0.00 C ATOM 0 H THR A 89 0.136 -8.065 1.671 1.00 0.00 H new ATOM 0 HA THR A 89 3.033 -7.585 1.443 1.00 0.00 H new ATOM 0 HB THR A 89 3.332 -9.838 2.557 1.00 0.00 H new ATOM 0 HG1 THR A 89 0.959 -10.331 2.250 1.00 0.00 H new ATOM 0 HG21 THR A 89 3.040 -8.984 4.852 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.746 -7.753 3.777 1.00 0.00 H new ATOM 0 HG23 THR A 89 2.026 -7.662 4.226 1.00 0.00 H new ATOM 1316 N ALA A 90 2.781 -8.735 -0.760 1.00 0.00 N ATOM 1317 CA ALA A 90 2.788 -9.485 -2.010 1.00 0.00 C ATOM 1318 C ALA A 90 4.213 -9.758 -2.478 1.00 0.00 C ATOM 1319 O ALA A 90 5.168 -9.176 -1.964 1.00 0.00 O ATOM 1320 CB ALA A 90 2.013 -8.733 -3.081 1.00 0.00 C ATOM 0 H ALA A 90 3.303 -7.859 -0.791 1.00 0.00 H new ATOM 0 HA ALA A 90 2.302 -10.444 -1.832 1.00 0.00 H new ATOM 0 HB1 ALA A 90 2.027 -9.305 -4.009 1.00 0.00 H new ATOM 0 HB2 ALA A 90 0.982 -8.595 -2.755 1.00 0.00 H new ATOM 0 HB3 ALA A 90 2.474 -7.760 -3.248 1.00 0.00 H new ATOM 1326 N ASP A 91 4.349 -10.647 -3.456 1.00 0.00 N ATOM 1327 CA ASP A 91 5.658 -10.997 -3.994 1.00 0.00 C ATOM 1328 C ASP A 91 6.250 -9.834 -4.784 1.00 0.00 C ATOM 1329 O ASP A 91 5.520 -9.017 -5.345 1.00 0.00 O ATOM 1330 CB ASP A 91 5.552 -12.234 -4.887 1.00 0.00 C ATOM 1331 CG ASP A 91 6.840 -12.521 -5.634 1.00 0.00 C ATOM 1332 OD1 ASP A 91 7.759 -13.110 -5.028 1.00 0.00 O ATOM 1333 OD2 ASP A 91 6.928 -12.157 -6.826 1.00 0.00 O ATOM 0 H ASP A 91 3.569 -11.138 -3.892 1.00 0.00 H new ATOM 0 HA ASP A 91 6.320 -11.218 -3.157 1.00 0.00 H new ATOM 0 HB2 ASP A 91 5.289 -13.098 -4.276 1.00 0.00 H new ATOM 0 HB3 ASP A 91 4.743 -12.093 -5.604 1.00 0.00 H new ATOM 1338 N SER A 92 7.577 -9.765 -4.821 1.00 0.00 N ATOM 1339 CA SER A 92 8.267 -8.699 -5.538 1.00 0.00 C ATOM 1340 C SER A 92 7.616 -8.446 -6.894 1.00 0.00 C ATOM 1341 O SER A 92 7.469 -7.301 -7.323 1.00 0.00 O ATOM 1342 CB SER A 92 9.743 -9.054 -5.726 1.00 0.00 C ATOM 1343 OG SER A 92 10.519 -7.895 -5.975 1.00 0.00 O ATOM 0 H SER A 92 8.196 -10.434 -4.363 1.00 0.00 H new ATOM 0 HA SER A 92 8.193 -7.788 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 92 10.115 -9.560 -4.835 1.00 0.00 H new ATOM 0 HB3 SER A 92 9.849 -9.752 -6.556 1.00 0.00 H new ATOM 0 HG SER A 92 11.459 -8.149 -6.090 1.00 0.00 H new ATOM 1349 N LYS A 93 7.227 -9.524 -7.567 1.00 0.00 N ATOM 1350 CA LYS A 93 6.590 -9.422 -8.874 1.00 0.00 C ATOM 1351 C LYS A 93 5.558 -8.299 -8.891 1.00 0.00 C ATOM 1352 O LYS A 93 5.437 -7.569 -9.875 1.00 0.00 O ATOM 1353 CB LYS A 93 5.922 -10.749 -9.244 1.00 0.00 C ATOM 1354 CG LYS A 93 4.662 -11.038 -8.447 1.00 0.00 C ATOM 1355 CD LYS A 93 3.921 -12.246 -8.995 1.00 0.00 C ATOM 1356 CE LYS A 93 4.679 -13.536 -8.724 1.00 0.00 C ATOM 1357 NZ LYS A 93 5.573 -13.903 -9.857 1.00 0.00 N ATOM 0 H LYS A 93 7.342 -10.479 -7.228 1.00 0.00 H new ATOM 0 HA LYS A 93 7.362 -9.193 -9.609 1.00 0.00 H new ATOM 0 HB2 LYS A 93 5.676 -10.739 -10.306 1.00 0.00 H new ATOM 0 HB3 LYS A 93 6.634 -11.560 -9.090 1.00 0.00 H new ATOM 0 HG2 LYS A 93 4.923 -11.213 -7.403 1.00 0.00 H new ATOM 0 HG3 LYS A 93 4.007 -10.167 -8.471 1.00 0.00 H new ATOM 0 HD2 LYS A 93 2.931 -12.303 -8.542 1.00 0.00 H new ATOM 0 HD3 LYS A 93 3.774 -12.128 -10.069 1.00 0.00 H new ATOM 0 HE2 LYS A 93 5.271 -13.425 -7.816 1.00 0.00 H new ATOM 0 HE3 LYS A 93 3.969 -14.344 -8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 5.224 -14.774 -10.306 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.582 -13.133 -10.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 6.538 -14.059 -9.501 1.00 0.00 H new ATOM 1371 N TYR A 94 4.818 -8.166 -7.796 1.00 0.00 N ATOM 1372 CA TYR A 94 3.795 -7.133 -7.686 1.00 0.00 C ATOM 1373 C TYR A 94 4.388 -5.836 -7.143 1.00 0.00 C ATOM 1374 O TYR A 94 3.851 -4.751 -7.371 1.00 0.00 O ATOM 1375 CB TYR A 94 2.658 -7.605 -6.780 1.00 0.00 C ATOM 1376 CG TYR A 94 1.904 -8.797 -7.326 1.00 0.00 C ATOM 1377 CD1 TYR A 94 1.054 -8.664 -8.417 1.00 0.00 C ATOM 1378 CD2 TYR A 94 2.040 -10.054 -6.750 1.00 0.00 C ATOM 1379 CE1 TYR A 94 0.362 -9.750 -8.920 1.00 0.00 C ATOM 1380 CE2 TYR A 94 1.353 -11.145 -7.247 1.00 0.00 C ATOM 1381 CZ TYR A 94 0.515 -10.988 -8.331 1.00 0.00 C ATOM 1382 OH TYR A 94 -0.172 -12.072 -8.828 1.00 0.00 O ATOM 0 H TYR A 94 4.907 -8.761 -6.972 1.00 0.00 H new ATOM 0 HA TYR A 94 3.399 -6.942 -8.683 1.00 0.00 H new ATOM 0 HB2 TYR A 94 3.066 -7.861 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 94 1.960 -6.782 -6.629 1.00 0.00 H new ATOM 0 HD1 TYR A 94 0.932 -7.696 -8.880 1.00 0.00 H new ATOM 0 HD2 TYR A 94 2.694 -10.180 -5.900 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -0.295 -9.630 -9.769 1.00 0.00 H new ATOM 0 HE2 TYR A 94 1.472 -12.116 -6.789 1.00 0.00 H new ATOM 0 HH TYR A 94 0.048 -12.868 -8.301 1.00 0.00 H new ATOM 1392 N CYS A 95 5.499 -5.956 -6.425 1.00 0.00 N ATOM 1393 CA CYS A 95 6.166 -4.795 -5.848 1.00 0.00 C ATOM 1394 C CYS A 95 6.860 -3.974 -6.930 1.00 0.00 C ATOM 1395 O CYS A 95 6.427 -2.869 -7.259 1.00 0.00 O ATOM 1396 CB CYS A 95 7.183 -5.236 -4.794 1.00 0.00 C ATOM 1397 SG CYS A 95 6.476 -6.220 -3.452 1.00 0.00 S ATOM 0 H CYS A 95 5.957 -6.846 -6.229 1.00 0.00 H new ATOM 0 HA CYS A 95 5.409 -4.171 -5.373 1.00 0.00 H new ATOM 0 HB2 CYS A 95 7.967 -5.816 -5.281 1.00 0.00 H new ATOM 0 HB3 CYS A 95 7.658 -4.351 -4.370 1.00 0.00 H new ATOM 0 HG CYS A 95 5.941 -7.299 -3.941 1.00 0.00 H new ATOM 1403 N TYR A 96 7.940 -4.520 -7.478 1.00 0.00 N ATOM 1404 CA TYR A 96 8.697 -3.836 -8.520 1.00 0.00 C ATOM 1405 C TYR A 96 8.893 -4.740 -9.733 1.00 0.00 C ATOM 1406 O TYR A 96 9.010 -4.267 -10.862 1.00 0.00 O ATOM 1407 CB TYR A 96 10.056 -3.386 -7.980 1.00 0.00 C ATOM 1408 CG TYR A 96 9.967 -2.245 -6.992 1.00 0.00 C ATOM 1409 CD1 TYR A 96 9.903 -0.927 -7.427 1.00 0.00 C ATOM 1410 CD2 TYR A 96 9.948 -2.485 -5.624 1.00 0.00 C ATOM 1411 CE1 TYR A 96 9.823 0.119 -6.527 1.00 0.00 C ATOM 1412 CE2 TYR A 96 9.866 -1.446 -4.717 1.00 0.00 C ATOM 1413 CZ TYR A 96 9.804 -0.146 -5.174 1.00 0.00 C ATOM 1414 OH TYR A 96 9.724 0.892 -4.274 1.00 0.00 O ATOM 0 H TYR A 96 8.311 -5.434 -7.218 1.00 0.00 H new ATOM 0 HA TYR A 96 8.129 -2.959 -8.831 1.00 0.00 H new ATOM 0 HB2 TYR A 96 10.546 -4.233 -7.500 1.00 0.00 H new ATOM 0 HB3 TYR A 96 10.688 -3.084 -8.815 1.00 0.00 H new ATOM 0 HD1 TYR A 96 9.916 -0.716 -8.486 1.00 0.00 H new ATOM 0 HD2 TYR A 96 9.998 -3.502 -5.263 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.776 1.138 -6.882 1.00 0.00 H new ATOM 0 HE2 TYR A 96 9.851 -1.650 -3.657 1.00 0.00 H new ATOM 0 HH TYR A 96 9.720 0.534 -3.362 1.00 0.00 H new ATOM 1424 N GLY A 97 8.927 -6.047 -9.490 1.00 0.00 N ATOM 1425 CA GLY A 97 9.108 -6.998 -10.571 1.00 0.00 C ATOM 1426 C GLY A 97 10.247 -7.964 -10.308 1.00 0.00 C ATOM 1427 O GLY A 97 11.124 -7.713 -9.482 1.00 0.00 O ATOM 0 H GLY A 97 8.832 -6.464 -8.564 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.185 -7.560 -10.715 1.00 0.00 H new ATOM 0 HA3 GLY A 97 9.300 -6.458 -11.498 1.00 0.00 H new ATOM 1431 N PRO A 98 10.241 -9.099 -11.022 1.00 0.00 N ATOM 1432 CA PRO A 98 11.274 -10.130 -10.879 1.00 0.00 C ATOM 1433 C PRO A 98 12.624 -9.677 -11.425 1.00 0.00 C ATOM 1434 O PRO A 98 13.605 -10.419 -11.373 1.00 0.00 O ATOM 1435 CB PRO A 98 10.728 -11.297 -11.704 1.00 0.00 C ATOM 1436 CG PRO A 98 9.826 -10.663 -12.707 1.00 0.00 C ATOM 1437 CD PRO A 98 9.227 -9.465 -12.025 1.00 0.00 C ATOM 0 HA PRO A 98 11.459 -10.379 -9.834 1.00 0.00 H new ATOM 0 HB2 PRO A 98 11.533 -11.850 -12.189 1.00 0.00 H new ATOM 0 HB3 PRO A 98 10.187 -12.006 -11.077 1.00 0.00 H new ATOM 0 HG2 PRO A 98 10.379 -10.368 -13.599 1.00 0.00 H new ATOM 0 HG3 PRO A 98 9.050 -11.358 -13.028 1.00 0.00 H new ATOM 0 HD2 PRO A 98 9.046 -8.652 -12.728 1.00 0.00 H new ATOM 0 HD3 PRO A 98 8.270 -9.704 -11.560 1.00 0.00 H new ATOM 1445 N GLN A 99 12.666 -8.456 -11.949 1.00 0.00 N ATOM 1446 CA GLN A 99 13.897 -7.906 -12.505 1.00 0.00 C ATOM 1447 C GLN A 99 14.608 -7.023 -11.485 1.00 0.00 C ATOM 1448 O GLN A 99 15.834 -6.916 -11.489 1.00 0.00 O ATOM 1449 CB GLN A 99 13.595 -7.102 -13.771 1.00 0.00 C ATOM 1450 CG GLN A 99 12.643 -5.940 -13.540 1.00 0.00 C ATOM 1451 CD GLN A 99 12.454 -5.086 -14.778 1.00 0.00 C ATOM 1452 OE1 GLN A 99 13.109 -5.298 -15.799 1.00 0.00 O ATOM 1453 NE2 GLN A 99 11.555 -4.112 -14.695 1.00 0.00 N ATOM 0 H GLN A 99 11.863 -7.829 -12.000 1.00 0.00 H new ATOM 0 HA GLN A 99 14.554 -8.737 -12.759 1.00 0.00 H new ATOM 0 HB2 GLN A 99 14.530 -6.719 -14.180 1.00 0.00 H new ATOM 0 HB3 GLN A 99 13.168 -7.768 -14.521 1.00 0.00 H new ATOM 0 HG2 GLN A 99 11.676 -6.326 -13.218 1.00 0.00 H new ATOM 0 HG3 GLN A 99 13.024 -5.319 -12.729 1.00 0.00 H new ATOM 0 HE21 GLN A 99 11.034 -3.971 -13.829 1.00 0.00 H new ATOM 0 HE22 GLN A 99 11.385 -3.505 -15.497 1.00 0.00 H new ATOM 1462 N GLY A 100 13.830 -6.391 -10.611 1.00 0.00 N ATOM 1463 CA GLY A 100 14.403 -5.525 -9.598 1.00 0.00 C ATOM 1464 C GLY A 100 13.943 -4.087 -9.737 1.00 0.00 C ATOM 1465 O GLY A 100 13.187 -3.755 -10.650 1.00 0.00 O ATOM 0 H GLY A 100 12.813 -6.464 -10.587 1.00 0.00 H new ATOM 0 HA2 GLY A 100 14.130 -5.897 -8.610 1.00 0.00 H new ATOM 0 HA3 GLY A 100 15.490 -5.563 -9.664 1.00 0.00 H new ATOM 1529 N TYR A 105 17.263 0.585 -4.658 1.00 0.00 N ATOM 1530 CA TYR A 105 17.357 -0.694 -5.351 1.00 0.00 C ATOM 1531 C TYR A 105 16.743 -1.813 -4.515 1.00 0.00 C ATOM 1532 O TYR A 105 16.790 -1.781 -3.285 1.00 0.00 O ATOM 1533 CB TYR A 105 18.818 -1.020 -5.666 1.00 0.00 C ATOM 1534 CG TYR A 105 19.014 -2.388 -6.280 1.00 0.00 C ATOM 1535 CD1 TYR A 105 18.891 -3.539 -5.511 1.00 0.00 C ATOM 1536 CD2 TYR A 105 19.322 -2.530 -7.627 1.00 0.00 C ATOM 1537 CE1 TYR A 105 19.070 -4.792 -6.067 1.00 0.00 C ATOM 1538 CE2 TYR A 105 19.501 -3.778 -8.191 1.00 0.00 C ATOM 1539 CZ TYR A 105 19.374 -4.905 -7.407 1.00 0.00 C ATOM 1540 OH TYR A 105 19.553 -6.150 -7.966 1.00 0.00 O ATOM 0 HA TYR A 105 16.800 -0.615 -6.284 1.00 0.00 H new ATOM 0 HB2 TYR A 105 19.211 -0.265 -6.347 1.00 0.00 H new ATOM 0 HB3 TYR A 105 19.402 -0.956 -4.748 1.00 0.00 H new ATOM 0 HD1 TYR A 105 18.652 -3.453 -4.461 1.00 0.00 H new ATOM 0 HD2 TYR A 105 19.423 -1.649 -8.244 1.00 0.00 H new ATOM 0 HE1 TYR A 105 18.972 -5.677 -5.455 1.00 0.00 H new ATOM 0 HE2 TYR A 105 19.739 -3.871 -9.240 1.00 0.00 H new ATOM 0 HH TYR A 105 19.760 -6.054 -8.919 1.00 0.00 H new ATOM 1550 N ILE A 106 16.169 -2.801 -5.192 1.00 0.00 N ATOM 1551 CA ILE A 106 15.548 -3.932 -4.513 1.00 0.00 C ATOM 1552 C ILE A 106 15.789 -5.231 -5.274 1.00 0.00 C ATOM 1553 O ILE A 106 15.725 -5.281 -6.502 1.00 0.00 O ATOM 1554 CB ILE A 106 14.031 -3.723 -4.345 1.00 0.00 C ATOM 1555 CG1 ILE A 106 13.300 -4.067 -5.644 1.00 0.00 C ATOM 1556 CG2 ILE A 106 13.736 -2.290 -3.929 1.00 0.00 C ATOM 1557 CD1 ILE A 106 12.928 -5.529 -5.759 1.00 0.00 C ATOM 0 H ILE A 106 16.121 -2.842 -6.210 1.00 0.00 H new ATOM 0 HA ILE A 106 16.009 -4.000 -3.528 1.00 0.00 H new ATOM 0 HB ILE A 106 13.672 -4.389 -3.560 1.00 0.00 H new ATOM 0 HG12 ILE A 106 12.395 -3.464 -5.713 1.00 0.00 H new ATOM 0 HG13 ILE A 106 13.931 -3.793 -6.490 1.00 0.00 H new ATOM 0 HG21 ILE A 106 12.660 -2.159 -3.814 1.00 0.00 H new ATOM 0 HG22 ILE A 106 14.230 -2.077 -2.981 1.00 0.00 H new ATOM 0 HG23 ILE A 106 14.106 -1.606 -4.693 1.00 0.00 H new ATOM 0 HD11 ILE A 106 12.413 -5.700 -6.704 1.00 0.00 H new ATOM 0 HD12 ILE A 106 13.831 -6.138 -5.722 1.00 0.00 H new ATOM 0 HD13 ILE A 106 12.271 -5.803 -4.933 1.00 0.00 H new ATOM 1569 N PRO A 107 16.073 -6.309 -4.528 1.00 0.00 N ATOM 1570 CA PRO A 107 16.327 -7.630 -5.111 1.00 0.00 C ATOM 1571 C PRO A 107 15.070 -8.252 -5.709 1.00 0.00 C ATOM 1572 O PRO A 107 13.957 -8.052 -5.221 1.00 0.00 O ATOM 1573 CB PRO A 107 16.817 -8.455 -3.919 1.00 0.00 C ATOM 1574 CG PRO A 107 16.224 -7.788 -2.727 1.00 0.00 C ATOM 1575 CD PRO A 107 16.165 -6.322 -3.059 1.00 0.00 C ATOM 0 HA PRO A 107 17.039 -7.582 -5.935 1.00 0.00 H new ATOM 0 HB2 PRO A 107 16.491 -9.492 -3.995 1.00 0.00 H new ATOM 0 HB3 PRO A 107 17.906 -8.466 -3.866 1.00 0.00 H new ATOM 0 HG2 PRO A 107 15.229 -8.180 -2.515 1.00 0.00 H new ATOM 0 HG3 PRO A 107 16.832 -7.963 -1.839 1.00 0.00 H new ATOM 0 HD2 PRO A 107 15.303 -5.840 -2.598 1.00 0.00 H new ATOM 0 HD3 PRO A 107 17.051 -5.794 -2.707 1.00 0.00 H new ATOM 1583 N PRO A 108 15.248 -9.025 -6.791 1.00 0.00 N ATOM 1584 CA PRO A 108 14.139 -9.692 -7.478 1.00 0.00 C ATOM 1585 C PRO A 108 13.539 -10.823 -6.648 1.00 0.00 C ATOM 1586 O PRO A 108 14.198 -11.377 -5.768 1.00 0.00 O ATOM 1587 CB PRO A 108 14.790 -10.248 -8.747 1.00 0.00 C ATOM 1588 CG PRO A 108 16.228 -10.413 -8.393 1.00 0.00 C ATOM 1589 CD PRO A 108 16.546 -9.306 -7.426 1.00 0.00 C ATOM 0 HA PRO A 108 13.311 -9.010 -7.671 1.00 0.00 H new ATOM 0 HB2 PRO A 108 14.342 -11.198 -9.038 1.00 0.00 H new ATOM 0 HB3 PRO A 108 14.665 -9.566 -9.588 1.00 0.00 H new ATOM 0 HG2 PRO A 108 16.410 -11.389 -7.943 1.00 0.00 H new ATOM 0 HG3 PRO A 108 16.858 -10.349 -9.280 1.00 0.00 H new ATOM 0 HD2 PRO A 108 17.293 -9.614 -6.694 1.00 0.00 H new ATOM 0 HD3 PRO A 108 16.942 -8.428 -7.936 1.00 0.00 H new ATOM 1597 N HIS A 109 12.286 -11.161 -6.935 1.00 0.00 N ATOM 1598 CA HIS A 109 11.599 -12.227 -6.215 1.00 0.00 C ATOM 1599 C HIS A 109 11.728 -12.036 -4.707 1.00 0.00 C ATOM 1600 O HIS A 109 11.651 -12.996 -3.941 1.00 0.00 O ATOM 1601 CB HIS A 109 12.163 -13.590 -6.618 1.00 0.00 C ATOM 1602 CG HIS A 109 12.034 -13.882 -8.082 1.00 0.00 C ATOM 1603 ND1 HIS A 109 12.965 -14.234 -8.999 1.00 0.00 N flip ATOM 1604 CD2 HIS A 109 10.834 -13.826 -8.758 1.00 0.00 C flip ATOM 1605 CE1 HIS A 109 12.317 -14.383 -10.201 1.00 0.00 C flip ATOM 1606 NE2 HIS A 109 11.031 -14.131 -10.028 1.00 0.00 N flip ATOM 0 H HIS A 109 11.726 -10.713 -7.660 1.00 0.00 H new ATOM 0 HA HIS A 109 10.542 -12.187 -6.479 1.00 0.00 H new ATOM 0 HB2 HIS A 109 13.215 -13.636 -6.338 1.00 0.00 H new ATOM 0 HB3 HIS A 109 11.649 -14.368 -6.054 1.00 0.00 H new ATOM 0 HD2 HIS A 109 9.881 -13.572 -8.318 1.00 0.00 H new ATOM 0 HE1 HIS A 109 12.782 -14.661 -11.135 1.00 0.00 H new ATOM 0 HE2 HIS A 109 10.313 -14.166 -10.752 1.00 0.00 H new ATOM 1615 N ALA A 110 11.925 -10.790 -4.288 1.00 0.00 N ATOM 1616 CA ALA A 110 12.064 -10.473 -2.873 1.00 0.00 C ATOM 1617 C ALA A 110 10.831 -9.745 -2.350 1.00 0.00 C ATOM 1618 O ALA A 110 10.602 -8.580 -2.673 1.00 0.00 O ATOM 1619 CB ALA A 110 13.313 -9.635 -2.639 1.00 0.00 C ATOM 0 H ALA A 110 11.992 -9.984 -4.909 1.00 0.00 H new ATOM 0 HA ALA A 110 12.161 -11.410 -2.324 1.00 0.00 H new ATOM 0 HB1 ALA A 110 13.404 -9.406 -1.577 1.00 0.00 H new ATOM 0 HB2 ALA A 110 14.191 -10.192 -2.966 1.00 0.00 H new ATOM 0 HB3 ALA A 110 13.240 -8.707 -3.206 1.00 0.00 H new ATOM 1625 N ALA A 111 10.038 -10.440 -1.540 1.00 0.00 N ATOM 1626 CA ALA A 111 8.829 -9.858 -0.971 1.00 0.00 C ATOM 1627 C ALA A 111 9.138 -8.558 -0.236 1.00 0.00 C ATOM 1628 O ALA A 111 10.284 -8.299 0.134 1.00 0.00 O ATOM 1629 CB ALA A 111 8.157 -10.850 -0.033 1.00 0.00 C ATOM 0 H ALA A 111 10.212 -11.406 -1.264 1.00 0.00 H new ATOM 0 HA ALA A 111 8.147 -9.628 -1.789 1.00 0.00 H new ATOM 0 HB1 ALA A 111 7.255 -10.402 0.385 1.00 0.00 H new ATOM 0 HB2 ALA A 111 7.892 -11.751 -0.586 1.00 0.00 H new ATOM 0 HB3 ALA A 111 8.842 -11.108 0.775 1.00 0.00 H new ATOM 1635 N LEU A 112 8.109 -7.744 -0.026 1.00 0.00 N ATOM 1636 CA LEU A 112 8.271 -6.470 0.665 1.00 0.00 C ATOM 1637 C LEU A 112 7.003 -6.099 1.428 1.00 0.00 C ATOM 1638 O LEU A 112 5.900 -6.156 0.882 1.00 0.00 O ATOM 1639 CB LEU A 112 8.620 -5.365 -0.334 1.00 0.00 C ATOM 1640 CG LEU A 112 9.882 -5.589 -1.168 1.00 0.00 C ATOM 1641 CD1 LEU A 112 9.784 -4.849 -2.493 1.00 0.00 C ATOM 1642 CD2 LEU A 112 11.116 -5.146 -0.397 1.00 0.00 C ATOM 0 H LEU A 112 7.154 -7.944 -0.324 1.00 0.00 H new ATOM 0 HA LEU A 112 9.086 -6.575 1.381 1.00 0.00 H new ATOM 0 HB2 LEU A 112 7.777 -5.238 -1.014 1.00 0.00 H new ATOM 0 HB3 LEU A 112 8.732 -4.429 0.214 1.00 0.00 H new ATOM 0 HG LEU A 112 9.972 -6.655 -1.377 1.00 0.00 H new ATOM 0 HD11 LEU A 112 10.691 -5.020 -3.073 1.00 0.00 H new ATOM 0 HD12 LEU A 112 8.922 -5.215 -3.051 1.00 0.00 H new ATOM 0 HD13 LEU A 112 9.669 -3.781 -2.306 1.00 0.00 H new ATOM 0 HD21 LEU A 112 12.005 -5.313 -1.006 1.00 0.00 H new ATOM 0 HD22 LEU A 112 11.034 -4.086 -0.157 1.00 0.00 H new ATOM 0 HD23 LEU A 112 11.195 -5.722 0.525 1.00 0.00 H new ATOM 1654 N CYS A 113 7.168 -5.718 2.689 1.00 0.00 N ATOM 1655 CA CYS A 113 6.036 -5.336 3.527 1.00 0.00 C ATOM 1656 C CYS A 113 5.639 -3.885 3.275 1.00 0.00 C ATOM 1657 O CYS A 113 6.445 -2.970 3.448 1.00 0.00 O ATOM 1658 CB CYS A 113 6.378 -5.535 5.004 1.00 0.00 C ATOM 1659 SG CYS A 113 4.951 -5.445 6.110 1.00 0.00 S ATOM 0 H CYS A 113 8.074 -5.665 3.154 1.00 0.00 H new ATOM 0 HA CYS A 113 5.192 -5.975 3.268 1.00 0.00 H new ATOM 0 HB2 CYS A 113 6.859 -6.505 5.127 1.00 0.00 H new ATOM 0 HB3 CYS A 113 7.104 -4.779 5.303 1.00 0.00 H new ATOM 0 HG CYS A 113 5.341 -5.627 7.337 1.00 0.00 H new ATOM 1665 N LEU A 114 4.392 -3.681 2.865 1.00 0.00 N ATOM 1666 CA LEU A 114 3.887 -2.341 2.587 1.00 0.00 C ATOM 1667 C LEU A 114 2.632 -2.052 3.404 1.00 0.00 C ATOM 1668 O LEU A 114 1.684 -2.837 3.403 1.00 0.00 O ATOM 1669 CB LEU A 114 3.585 -2.187 1.096 1.00 0.00 C ATOM 1670 CG LEU A 114 4.611 -2.792 0.137 1.00 0.00 C ATOM 1671 CD1 LEU A 114 4.129 -2.680 -1.301 1.00 0.00 C ATOM 1672 CD2 LEU A 114 5.962 -2.112 0.303 1.00 0.00 C ATOM 0 H LEU A 114 3.712 -4.427 2.718 1.00 0.00 H new ATOM 0 HA LEU A 114 4.657 -1.624 2.871 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.616 -2.642 0.893 1.00 0.00 H new ATOM 0 HB3 LEU A 114 3.491 -1.124 0.873 1.00 0.00 H new ATOM 0 HG LEU A 114 4.726 -3.849 0.378 1.00 0.00 H new ATOM 0 HD11 LEU A 114 4.872 -3.116 -1.969 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.185 -3.214 -1.411 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.984 -1.630 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 114 6.680 -2.555 -0.387 1.00 0.00 H new ATOM 0 HD22 LEU A 114 5.862 -1.048 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 114 6.313 -2.245 1.326 1.00 0.00 H new ATOM 1684 N GLU A 115 2.632 -0.919 4.100 1.00 0.00 N ATOM 1685 CA GLU A 115 1.492 -0.526 4.920 1.00 0.00 C ATOM 1686 C GLU A 115 0.756 0.657 4.297 1.00 0.00 C ATOM 1687 O GLU A 115 1.215 1.797 4.373 1.00 0.00 O ATOM 1688 CB GLU A 115 1.952 -0.168 6.334 1.00 0.00 C ATOM 1689 CG GLU A 115 0.808 0.037 7.313 1.00 0.00 C ATOM 1690 CD GLU A 115 1.288 0.236 8.738 1.00 0.00 C ATOM 1691 OE1 GLU A 115 2.242 -0.460 9.144 1.00 0.00 O ATOM 1692 OE2 GLU A 115 0.709 1.086 9.446 1.00 0.00 O ATOM 0 H GLU A 115 3.408 -0.258 4.112 1.00 0.00 H new ATOM 0 HA GLU A 115 0.806 -1.371 4.973 1.00 0.00 H new ATOM 0 HB2 GLU A 115 2.601 -0.960 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 115 2.551 0.742 6.293 1.00 0.00 H new ATOM 0 HG2 GLU A 115 0.223 0.904 7.006 1.00 0.00 H new ATOM 0 HG3 GLU A 115 0.143 -0.826 7.275 1.00 0.00 H new ATOM 1699 N VAL A 116 -0.388 0.378 3.681 1.00 0.00 N ATOM 1700 CA VAL A 116 -1.189 1.418 3.046 1.00 0.00 C ATOM 1701 C VAL A 116 -2.207 1.999 4.020 1.00 0.00 C ATOM 1702 O VAL A 116 -2.797 1.277 4.825 1.00 0.00 O ATOM 1703 CB VAL A 116 -1.929 0.878 1.808 1.00 0.00 C ATOM 1704 CG1 VAL A 116 -2.550 2.020 1.018 1.00 0.00 C ATOM 1705 CG2 VAL A 116 -0.984 0.067 0.934 1.00 0.00 C ATOM 0 H VAL A 116 -0.781 -0.560 3.608 1.00 0.00 H new ATOM 0 HA VAL A 116 -0.500 2.203 2.735 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.731 0.221 2.143 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -3.069 1.620 0.147 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -3.260 2.555 1.649 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -1.767 2.704 0.691 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -1.524 -0.307 0.064 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -0.159 0.700 0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -0.591 -0.774 1.506 1.00 0.00 H new ATOM 1715 N THR A 117 -2.410 3.311 3.943 1.00 0.00 N ATOM 1716 CA THR A 117 -3.357 3.990 4.818 1.00 0.00 C ATOM 1717 C THR A 117 -4.040 5.147 4.096 1.00 0.00 C ATOM 1718 O THR A 117 -3.439 6.201 3.883 1.00 0.00 O ATOM 1719 CB THR A 117 -2.665 4.528 6.085 1.00 0.00 C ATOM 1720 OG1 THR A 117 -2.031 3.454 6.789 1.00 0.00 O ATOM 1721 CG2 THR A 117 -3.668 5.217 6.998 1.00 0.00 C ATOM 0 H THR A 117 -1.931 3.924 3.283 1.00 0.00 H new ATOM 0 HA THR A 117 -4.106 3.252 5.107 1.00 0.00 H new ATOM 0 HB THR A 117 -1.914 5.257 5.781 1.00 0.00 H new ATOM 0 HG1 THR A 117 -1.592 3.804 7.592 1.00 0.00 H new ATOM 0 HG21 THR A 117 -3.156 5.589 7.886 1.00 0.00 H new ATOM 0 HG22 THR A 117 -4.129 6.051 6.469 1.00 0.00 H new ATOM 0 HG23 THR A 117 -4.439 4.506 7.294 1.00 0.00 H new ATOM 1729 N LEU A 118 -5.299 4.944 3.723 1.00 0.00 N ATOM 1730 CA LEU A 118 -6.064 5.972 3.025 1.00 0.00 C ATOM 1731 C LEU A 118 -6.351 7.155 3.944 1.00 0.00 C ATOM 1732 O LEU A 118 -7.073 7.027 4.933 1.00 0.00 O ATOM 1733 CB LEU A 118 -7.378 5.388 2.501 1.00 0.00 C ATOM 1734 CG LEU A 118 -7.933 6.024 1.226 1.00 0.00 C ATOM 1735 CD1 LEU A 118 -8.433 7.433 1.506 1.00 0.00 C ATOM 1736 CD2 LEU A 118 -6.874 6.039 0.133 1.00 0.00 C ATOM 0 H LEU A 118 -5.811 4.078 3.892 1.00 0.00 H new ATOM 0 HA LEU A 118 -5.469 6.326 2.183 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -7.232 4.323 2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -8.130 5.477 3.285 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.775 5.424 0.880 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.824 7.870 0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -9.224 7.396 2.256 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -7.610 8.044 1.876 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -7.286 6.495 -0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -6.012 6.615 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -6.564 5.017 -0.087 1.00 0.00 H new ATOM 1748 N LYS A 119 -5.782 8.308 3.609 1.00 0.00 N ATOM 1749 CA LYS A 119 -5.979 9.517 4.401 1.00 0.00 C ATOM 1750 C LYS A 119 -7.112 10.363 3.830 1.00 0.00 C ATOM 1751 O LYS A 119 -8.109 10.621 4.506 1.00 0.00 O ATOM 1752 CB LYS A 119 -4.688 10.338 4.445 1.00 0.00 C ATOM 1753 CG LYS A 119 -3.451 9.511 4.751 1.00 0.00 C ATOM 1754 CD LYS A 119 -3.171 9.457 6.244 1.00 0.00 C ATOM 1755 CE LYS A 119 -4.254 8.689 6.987 1.00 0.00 C ATOM 1756 NZ LYS A 119 -5.334 9.587 7.479 1.00 0.00 N ATOM 0 H LYS A 119 -5.181 8.431 2.794 1.00 0.00 H new ATOM 0 HA LYS A 119 -6.248 9.218 5.414 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -4.552 10.838 3.486 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -4.789 11.118 5.200 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -3.585 8.499 4.368 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -2.591 9.936 4.234 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -2.204 8.984 6.417 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -3.105 10.470 6.640 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -4.682 7.935 6.327 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -3.810 8.160 7.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -6.259 9.139 7.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -5.206 9.759 8.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -5.294 10.491 6.967 1.00 0.00 H new ATOM 1770 N THR A 120 -6.954 10.791 2.582 1.00 0.00 N ATOM 1771 CA THR A 120 -7.964 11.608 1.920 1.00 0.00 C ATOM 1772 C THR A 120 -7.912 11.429 0.407 1.00 0.00 C ATOM 1773 O THR A 120 -6.860 11.127 -0.155 1.00 0.00 O ATOM 1774 CB THR A 120 -7.788 13.101 2.255 1.00 0.00 C ATOM 1775 OG1 THR A 120 -6.410 13.471 2.130 1.00 0.00 O ATOM 1776 CG2 THR A 120 -8.272 13.400 3.666 1.00 0.00 C ATOM 0 H THR A 120 -6.136 10.586 2.009 1.00 0.00 H new ATOM 0 HA THR A 120 -8.933 11.272 2.290 1.00 0.00 H new ATOM 0 HB THR A 120 -8.386 13.682 1.552 1.00 0.00 H new ATOM 0 HG1 THR A 120 -6.306 14.422 2.343 1.00 0.00 H new ATOM 0 HG21 THR A 120 -8.138 14.460 3.880 1.00 0.00 H new ATOM 0 HG22 THR A 120 -9.328 13.144 3.750 1.00 0.00 H new ATOM 0 HG23 THR A 120 -7.697 12.810 4.380 1.00 0.00 H new ATOM 1784 N ALA A 121 -9.054 11.616 -0.246 1.00 0.00 N ATOM 1785 CA ALA A 121 -9.137 11.478 -1.695 1.00 0.00 C ATOM 1786 C ALA A 121 -9.845 12.674 -2.321 1.00 0.00 C ATOM 1787 O ALA A 121 -11.053 12.849 -2.157 1.00 0.00 O ATOM 1788 CB ALA A 121 -9.853 10.187 -2.061 1.00 0.00 C ATOM 0 H ALA A 121 -9.935 11.863 0.205 1.00 0.00 H new ATOM 0 HA ALA A 121 -8.122 11.443 -2.091 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -9.908 10.096 -3.146 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -9.304 9.338 -1.653 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -10.861 10.200 -1.646 1.00 0.00 H new ATOM 1794 N VAL A 122 -9.086 13.497 -3.038 1.00 0.00 N ATOM 1795 CA VAL A 122 -9.642 14.677 -3.690 1.00 0.00 C ATOM 1796 C VAL A 122 -9.207 14.756 -5.149 1.00 0.00 C ATOM 1797 O VAL A 122 -8.315 14.025 -5.582 1.00 0.00 O ATOM 1798 CB VAL A 122 -9.216 15.969 -2.968 1.00 0.00 C ATOM 1799 CG1 VAL A 122 -9.736 15.979 -1.538 1.00 0.00 C ATOM 1800 CG2 VAL A 122 -7.702 16.119 -2.994 1.00 0.00 C ATOM 0 H VAL A 122 -8.084 13.368 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 122 -10.727 14.583 -3.643 1.00 0.00 H new ATOM 0 HB VAL A 122 -9.652 16.819 -3.494 1.00 0.00 H new ATOM 0 HG11 VAL A 122 -9.425 16.900 -1.044 1.00 0.00 H new ATOM 0 HG12 VAL A 122 -10.824 15.922 -1.546 1.00 0.00 H new ATOM 0 HG13 VAL A 122 -9.332 15.123 -0.998 1.00 0.00 H new ATOM 0 HG21 VAL A 122 -7.418 17.037 -2.480 1.00 0.00 H new ATOM 0 HG22 VAL A 122 -7.243 15.266 -2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 122 -7.358 16.161 -4.028 1.00 0.00 H new ATOM 1810 N ASP A 123 -9.841 15.647 -5.902 1.00 0.00 N ATOM 1811 CA ASP A 123 -9.519 15.823 -7.313 1.00 0.00 C ATOM 1812 C ASP A 123 -8.318 16.749 -7.485 1.00 0.00 C ATOM 1813 O ASP A 123 -7.498 16.557 -8.383 1.00 0.00 O ATOM 1814 CB ASP A 123 -10.725 16.386 -8.067 1.00 0.00 C ATOM 1815 CG ASP A 123 -10.582 16.250 -9.571 1.00 0.00 C ATOM 1816 OD1 ASP A 123 -10.017 15.233 -10.023 1.00 0.00 O ATOM 1817 OD2 ASP A 123 -11.035 17.161 -10.295 1.00 0.00 O ATOM 0 H ASP A 123 -10.581 16.259 -5.559 1.00 0.00 H new ATOM 0 HA ASP A 123 -9.265 14.847 -7.727 1.00 0.00 H new ATOM 0 HB2 ASP A 123 -11.627 15.868 -7.742 1.00 0.00 H new ATOM 0 HB3 ASP A 123 -10.852 17.438 -7.810 1.00 0.00 H new ATOM 1822 N ARG A 124 -8.223 17.753 -6.619 1.00 0.00 N ATOM 1823 CA ARG A 124 -7.124 18.709 -6.677 1.00 0.00 C ATOM 1824 C ARG A 124 -5.857 18.119 -6.067 1.00 0.00 C ATOM 1825 O ARG A 124 -5.904 17.236 -5.210 1.00 0.00 O ATOM 1826 CB ARG A 124 -7.503 19.998 -5.945 1.00 0.00 C ATOM 1827 CG ARG A 124 -7.313 19.921 -4.439 1.00 0.00 C ATOM 1828 CD ARG A 124 -7.344 21.302 -3.803 1.00 0.00 C ATOM 1829 NE ARG A 124 -8.630 21.967 -3.999 1.00 0.00 N ATOM 1830 CZ ARG A 124 -9.056 22.978 -3.251 1.00 0.00 C ATOM 1831 NH1 ARG A 124 -8.302 23.440 -2.263 1.00 0.00 N ATOM 1832 NH2 ARG A 124 -10.238 23.531 -3.491 1.00 0.00 N ATOM 0 H ARG A 124 -8.893 17.925 -5.870 1.00 0.00 H new ATOM 0 HA ARG A 124 -6.929 18.937 -7.725 1.00 0.00 H new ATOM 0 HB2 ARG A 124 -6.902 20.819 -6.337 1.00 0.00 H new ATOM 0 HB3 ARG A 124 -8.545 20.235 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 124 -8.096 19.301 -4.003 1.00 0.00 H new ATOM 0 HG3 ARG A 124 -6.362 19.437 -4.215 1.00 0.00 H new ATOM 0 HD2 ARG A 124 -7.140 21.214 -2.736 1.00 0.00 H new ATOM 0 HD3 ARG A 124 -6.550 21.915 -4.229 1.00 0.00 H new ATOM 0 HE ARG A 124 -9.234 21.637 -4.752 1.00 0.00 H new ATOM 0 HH11 ARG A 124 -7.392 23.019 -2.076 1.00 0.00 H new ATOM 0 HH12 ARG A 124 -8.632 24.217 -1.690 1.00 0.00 H new ATOM 0 HH21 ARG A 124 -10.821 23.180 -4.251 1.00 0.00 H new ATOM 0 HH22 ARG A 124 -10.564 24.308 -2.916 1.00 0.00 H new