USER MOD reduce.3.24.130724 H: found=0, std=0, add=652, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 656 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 10 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00475) USER MOD Set 1.2: A 113 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 81 THR OG1 : rot 127:sc= 0.0735 USER MOD Set 2.2: A 83 THR OG1 : rot 180:sc= 1.21 USER MOD Set 2.3: A 86 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 17 TYR OH : rot -49:sc= 0.522 USER MOD Set 3.2: A 75 HIS : no HD1:sc= 0.128 K(o=0.65,f=-2.4!) USER MOD Set 4.1: A 18 THR OG1 : rot 180:sc= 0.866 USER MOD Set 4.2: A 84 MET CE :methyl 177:sc= -0.0158 (180deg=-0.0332) USER MOD Single : A 14 MET CE :methyl -175:sc=-0.00136 (180deg=-0.0771) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.062 K(o=0.062,f=-5.5!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= -4.08! K(o=-4.1!,f=-1.6) USER MOD Single : A 28 TYR OH : rot -70:sc= 1.26 USER MOD Single : A 33 SER OG : rot -1:sc= 0.98 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 CYS SG : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.047 K(o=-0.047,f=-2.6!) USER MOD Single : A 41 ASN : amide:sc= -0.0044 X(o=-0.0044,f=-0.0044) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot -9:sc= 0.0348 USER MOD Single : A 91 ASN : amide:sc= -0.845 X(o=-0.85,f=-0.35) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.68) USER MOD Single : A 116 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00167) USER MOD Single : A 120 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 99 N LYS A 10 -2.664 3.309 9.116 1.00 0.00 N ATOM 100 CA LYS A 10 -2.815 1.902 8.766 1.00 0.00 C ATOM 101 C LYS A 10 -1.454 1.245 8.555 1.00 0.00 C ATOM 102 O LYS A 10 -0.491 1.904 8.166 1.00 0.00 O ATOM 103 CB LYS A 10 -3.664 1.758 7.500 1.00 0.00 C ATOM 104 CG LYS A 10 -4.148 0.340 7.251 1.00 0.00 C ATOM 105 CD LYS A 10 -5.323 0.313 6.287 1.00 0.00 C ATOM 106 CE LYS A 10 -5.529 -1.074 5.698 1.00 0.00 C ATOM 107 NZ LYS A 10 -5.902 -2.070 6.741 1.00 0.00 N ATOM 0 HA LYS A 10 -3.318 1.400 9.593 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.527 2.420 7.574 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -3.080 2.090 6.641 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -3.331 -0.259 6.848 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -4.441 -0.117 8.196 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.228 0.627 6.806 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.152 1.029 5.483 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.310 -1.034 4.939 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.615 -1.396 5.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.083 -2.991 6.293 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -5.124 -2.165 7.425 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.760 -1.751 7.235 1.00 0.00 H new ATOM 121 N GLU A 11 -1.384 -0.057 8.815 1.00 0.00 N ATOM 122 CA GLU A 11 -0.141 -0.802 8.652 1.00 0.00 C ATOM 123 C GLU A 11 -0.415 -2.298 8.532 1.00 0.00 C ATOM 124 O GLU A 11 -1.469 -2.782 8.941 1.00 0.00 O ATOM 125 CB GLU A 11 0.796 -0.537 9.833 1.00 0.00 C ATOM 126 CG GLU A 11 0.080 -0.451 11.171 1.00 0.00 C ATOM 127 CD GLU A 11 -0.430 -1.798 11.646 1.00 0.00 C ATOM 128 OE1 GLU A 11 -0.082 -2.819 11.017 1.00 0.00 O ATOM 129 OE2 GLU A 11 -1.176 -1.830 12.647 1.00 0.00 O ATOM 0 H GLU A 11 -2.173 -0.617 9.139 1.00 0.00 H new ATOM 0 HA GLU A 11 0.338 -0.463 7.733 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.541 -1.331 9.880 1.00 0.00 H new ATOM 0 HB3 GLU A 11 1.333 0.395 9.658 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.760 -0.040 11.917 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -0.757 0.242 11.087 1.00 0.00 H new ATOM 136 N GLY A 12 0.544 -3.026 7.968 1.00 0.00 N ATOM 137 CA GLY A 12 0.388 -4.459 7.803 1.00 0.00 C ATOM 138 C GLY A 12 1.356 -5.035 6.788 1.00 0.00 C ATOM 139 O GLY A 12 1.949 -4.299 6.000 1.00 0.00 O ATOM 0 H GLY A 12 1.426 -2.649 7.622 1.00 0.00 H new ATOM 0 HA2 GLY A 12 0.539 -4.951 8.764 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -0.633 -4.677 7.490 1.00 0.00 H new ATOM 143 N TRP A 13 1.518 -6.353 6.810 1.00 0.00 N ATOM 144 CA TRP A 13 2.423 -7.027 5.885 1.00 0.00 C ATOM 145 C TRP A 13 1.725 -7.329 4.564 1.00 0.00 C ATOM 146 O TRP A 13 0.738 -8.063 4.526 1.00 0.00 O ATOM 147 CB TRP A 13 2.948 -8.322 6.507 1.00 0.00 C ATOM 148 CG TRP A 13 3.868 -8.094 7.667 1.00 0.00 C ATOM 149 CD1 TRP A 13 3.511 -7.906 8.972 1.00 0.00 C ATOM 150 CD2 TRP A 13 5.298 -8.027 7.627 1.00 0.00 C ATOM 151 NE1 TRP A 13 4.632 -7.727 9.745 1.00 0.00 N ATOM 152 CE2 TRP A 13 5.741 -7.798 8.944 1.00 0.00 C ATOM 153 CE3 TRP A 13 6.246 -8.142 6.607 1.00 0.00 C ATOM 154 CZ2 TRP A 13 7.091 -7.679 9.265 1.00 0.00 C ATOM 155 CZ3 TRP A 13 7.586 -8.024 6.927 1.00 0.00 C ATOM 156 CH2 TRP A 13 7.998 -7.795 8.247 1.00 0.00 C ATOM 0 H TRP A 13 1.035 -6.976 7.457 1.00 0.00 H new ATOM 0 HA TRP A 13 3.263 -6.361 5.686 1.00 0.00 H new ATOM 0 HB2 TRP A 13 2.103 -8.927 6.836 1.00 0.00 H new ATOM 0 HB3 TRP A 13 3.473 -8.896 5.744 1.00 0.00 H new ATOM 0 HD1 TRP A 13 2.496 -7.899 9.342 1.00 0.00 H new ATOM 0 HE1 TRP A 13 4.638 -7.567 10.752 1.00 0.00 H new ATOM 0 HE3 TRP A 13 5.938 -8.320 5.587 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 7.411 -7.501 10.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 8.328 -8.110 6.147 1.00 0.00 H new ATOM 0 HH2 TRP A 13 9.052 -7.708 8.465 1.00 0.00 H new ATOM 167 N MET A 14 2.245 -6.758 3.482 1.00 0.00 N ATOM 168 CA MET A 14 1.671 -6.969 2.157 1.00 0.00 C ATOM 169 C MET A 14 2.748 -7.381 1.158 1.00 0.00 C ATOM 170 O MET A 14 3.934 -7.132 1.371 1.00 0.00 O ATOM 171 CB MET A 14 0.971 -5.698 1.674 1.00 0.00 C ATOM 172 CG MET A 14 0.182 -5.890 0.389 1.00 0.00 C ATOM 173 SD MET A 14 -1.214 -4.757 0.254 1.00 0.00 S ATOM 174 CE MET A 14 -2.511 -5.725 1.021 1.00 0.00 C ATOM 0 H MET A 14 3.061 -6.147 3.496 1.00 0.00 H new ATOM 0 HA MET A 14 0.939 -7.774 2.228 1.00 0.00 H new ATOM 0 HB2 MET A 14 0.298 -5.345 2.455 1.00 0.00 H new ATOM 0 HB3 MET A 14 1.717 -4.918 1.520 1.00 0.00 H new ATOM 0 HG2 MET A 14 0.845 -5.747 -0.464 1.00 0.00 H new ATOM 0 HG3 MET A 14 -0.182 -6.916 0.341 1.00 0.00 H new ATOM 0 HE1 MET A 14 -3.460 -5.195 0.935 1.00 0.00 H new ATOM 0 HE2 MET A 14 -2.588 -6.691 0.522 1.00 0.00 H new ATOM 0 HE3 MET A 14 -2.276 -5.879 2.074 1.00 0.00 H new ATOM 184 N VAL A 15 2.326 -8.014 0.068 1.00 0.00 N ATOM 185 CA VAL A 15 3.254 -8.461 -0.964 1.00 0.00 C ATOM 186 C VAL A 15 3.006 -7.730 -2.279 1.00 0.00 C ATOM 187 O VAL A 15 1.863 -7.433 -2.631 1.00 0.00 O ATOM 188 CB VAL A 15 3.140 -9.978 -1.203 1.00 0.00 C ATOM 189 CG1 VAL A 15 3.704 -10.749 -0.019 1.00 0.00 C ATOM 190 CG2 VAL A 15 1.693 -10.369 -1.464 1.00 0.00 C ATOM 0 H VAL A 15 1.347 -8.229 -0.123 1.00 0.00 H new ATOM 0 HA VAL A 15 4.258 -8.232 -0.608 1.00 0.00 H new ATOM 0 HB VAL A 15 3.726 -10.234 -2.085 1.00 0.00 H new ATOM 0 HG11 VAL A 15 3.615 -11.819 -0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 15 4.754 -10.491 0.117 1.00 0.00 H new ATOM 0 HG13 VAL A 15 3.148 -10.490 0.882 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.631 -11.444 -1.631 1.00 0.00 H new ATOM 0 HG22 VAL A 15 1.082 -10.100 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 15 1.328 -9.843 -2.346 1.00 0.00 H new ATOM 200 N HIS A 16 4.083 -7.444 -3.003 1.00 0.00 N ATOM 201 CA HIS A 16 3.983 -6.749 -4.282 1.00 0.00 C ATOM 202 C HIS A 16 5.153 -7.111 -5.191 1.00 0.00 C ATOM 203 O HIS A 16 6.152 -7.671 -4.739 1.00 0.00 O ATOM 204 CB HIS A 16 3.941 -5.236 -4.062 1.00 0.00 C ATOM 205 CG HIS A 16 5.298 -4.607 -3.970 1.00 0.00 C ATOM 206 ND1 HIS A 16 6.198 -4.902 -2.968 1.00 0.00 N ATOM 207 CD2 HIS A 16 5.906 -3.696 -4.765 1.00 0.00 C ATOM 208 CE1 HIS A 16 7.301 -4.197 -3.149 1.00 0.00 C ATOM 209 NE2 HIS A 16 7.149 -3.458 -4.233 1.00 0.00 N ATOM 0 H HIS A 16 5.035 -7.683 -2.726 1.00 0.00 H new ATOM 0 HA HIS A 16 3.059 -7.064 -4.767 1.00 0.00 H new ATOM 0 HB2 HIS A 16 3.390 -4.773 -4.880 1.00 0.00 H new ATOM 0 HB3 HIS A 16 3.389 -5.025 -3.146 1.00 0.00 H new ATOM 0 HD2 HIS A 16 5.491 -3.241 -5.652 1.00 0.00 H new ATOM 0 HE1 HIS A 16 8.177 -4.221 -2.518 1.00 0.00 H new ATOM 0 HE2 HIS A 16 7.843 -2.814 -4.613 1.00 0.00 H new ATOM 218 N TYR A 17 5.022 -6.788 -6.472 1.00 0.00 N ATOM 219 CA TYR A 17 6.068 -7.083 -7.445 1.00 0.00 C ATOM 220 C TYR A 17 6.109 -6.020 -8.539 1.00 0.00 C ATOM 221 O TYR A 17 5.315 -5.079 -8.538 1.00 0.00 O ATOM 222 CB TYR A 17 5.841 -8.462 -8.067 1.00 0.00 C ATOM 223 CG TYR A 17 4.525 -8.587 -8.800 1.00 0.00 C ATOM 224 CD1 TYR A 17 4.394 -8.153 -10.113 1.00 0.00 C ATOM 225 CD2 TYR A 17 3.411 -9.140 -8.179 1.00 0.00 C ATOM 226 CE1 TYR A 17 3.193 -8.264 -10.786 1.00 0.00 C ATOM 227 CE2 TYR A 17 2.207 -9.257 -8.845 1.00 0.00 C ATOM 228 CZ TYR A 17 2.102 -8.817 -10.148 1.00 0.00 C ATOM 229 OH TYR A 17 0.904 -8.931 -10.815 1.00 0.00 O ATOM 0 H TYR A 17 4.203 -6.322 -6.862 1.00 0.00 H new ATOM 0 HA TYR A 17 7.025 -7.080 -6.924 1.00 0.00 H new ATOM 0 HB2 TYR A 17 6.655 -8.677 -8.760 1.00 0.00 H new ATOM 0 HB3 TYR A 17 5.883 -9.217 -7.282 1.00 0.00 H new ATOM 0 HD1 TYR A 17 5.246 -7.721 -10.616 1.00 0.00 H new ATOM 0 HD2 TYR A 17 3.489 -9.484 -7.158 1.00 0.00 H new ATOM 0 HE1 TYR A 17 3.108 -7.920 -11.806 1.00 0.00 H new ATOM 0 HE2 TYR A 17 1.352 -9.691 -8.348 1.00 0.00 H new ATOM 0 HH TYR A 17 0.683 -8.076 -11.239 1.00 0.00 H new ATOM 239 N THR A 18 7.042 -6.177 -9.473 1.00 0.00 N ATOM 240 CA THR A 18 7.189 -5.232 -10.573 1.00 0.00 C ATOM 241 C THR A 18 7.154 -5.946 -11.919 1.00 0.00 C ATOM 242 O THR A 18 7.077 -7.173 -11.980 1.00 0.00 O ATOM 243 CB THR A 18 8.504 -4.438 -10.460 1.00 0.00 C ATOM 244 OG1 THR A 18 9.558 -5.138 -11.131 1.00 0.00 O ATOM 245 CG2 THR A 18 8.881 -4.221 -9.002 1.00 0.00 C ATOM 0 H THR A 18 7.707 -6.950 -9.489 1.00 0.00 H new ATOM 0 HA THR A 18 6.349 -4.540 -10.510 1.00 0.00 H new ATOM 0 HB THR A 18 8.357 -3.466 -10.930 1.00 0.00 H new ATOM 0 HG1 THR A 18 10.390 -4.626 -11.056 1.00 0.00 H new ATOM 0 HG21 THR A 18 9.813 -3.658 -8.947 1.00 0.00 H new ATOM 0 HG22 THR A 18 8.090 -3.663 -8.501 1.00 0.00 H new ATOM 0 HG23 THR A 18 9.011 -5.186 -8.512 1.00 0.00 H new ATOM 253 N SER A 19 7.212 -5.171 -12.997 1.00 0.00 N ATOM 254 CA SER A 19 7.183 -5.729 -14.344 1.00 0.00 C ATOM 255 C SER A 19 8.531 -6.349 -14.703 1.00 0.00 C ATOM 256 O SER A 19 8.592 -7.425 -15.298 1.00 0.00 O ATOM 257 CB SER A 19 6.820 -4.646 -15.361 1.00 0.00 C ATOM 258 OG SER A 19 6.955 -5.126 -16.687 1.00 0.00 O ATOM 0 H SER A 19 7.279 -4.154 -12.964 1.00 0.00 H new ATOM 0 HA SER A 19 6.423 -6.510 -14.371 1.00 0.00 H new ATOM 0 HB2 SER A 19 5.795 -4.314 -15.194 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.463 -3.778 -15.218 1.00 0.00 H new ATOM 0 HG SER A 19 6.716 -4.415 -17.318 1.00 0.00 H new ATOM 264 N ARG A 20 9.607 -5.661 -14.337 1.00 0.00 N ATOM 265 CA ARG A 20 10.954 -6.142 -14.621 1.00 0.00 C ATOM 266 C ARG A 20 11.312 -7.321 -13.721 1.00 0.00 C ATOM 267 O ARG A 20 11.806 -8.347 -14.190 1.00 0.00 O ATOM 268 CB ARG A 20 11.971 -5.016 -14.433 1.00 0.00 C ATOM 269 CG ARG A 20 13.224 -5.179 -15.278 1.00 0.00 C ATOM 270 CD ARG A 20 14.207 -6.147 -14.636 1.00 0.00 C ATOM 271 NE ARG A 20 15.248 -6.568 -15.569 1.00 0.00 N ATOM 272 CZ ARG A 20 16.233 -7.399 -15.244 1.00 0.00 C ATOM 273 NH1 ARG A 20 16.309 -7.895 -14.017 1.00 0.00 N ATOM 274 NH2 ARG A 20 17.143 -7.735 -16.149 1.00 0.00 N ATOM 0 H ARG A 20 9.573 -4.769 -13.843 1.00 0.00 H new ATOM 0 HA ARG A 20 10.981 -6.477 -15.658 1.00 0.00 H new ATOM 0 HB2 ARG A 20 11.498 -4.066 -14.680 1.00 0.00 H new ATOM 0 HB3 ARG A 20 12.256 -4.967 -13.382 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.951 -5.540 -16.270 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.702 -4.209 -15.413 1.00 0.00 H new ATOM 0 HD2 ARG A 20 14.667 -5.674 -13.768 1.00 0.00 H new ATOM 0 HD3 ARG A 20 13.669 -7.023 -14.274 1.00 0.00 H new ATOM 0 HE ARG A 20 15.218 -6.205 -16.522 1.00 0.00 H new ATOM 0 HH11 ARG A 20 15.610 -7.639 -13.319 1.00 0.00 H new ATOM 0 HH12 ARG A 20 17.066 -8.533 -13.771 1.00 0.00 H new ATOM 0 HH21 ARG A 20 17.087 -7.356 -17.094 1.00 0.00 H new ATOM 0 HH22 ARG A 20 17.899 -8.373 -15.900 1.00 0.00 H new ATOM 288 N ASP A 21 11.060 -7.167 -12.426 1.00 0.00 N ATOM 289 CA ASP A 21 11.354 -8.218 -11.459 1.00 0.00 C ATOM 290 C ASP A 21 10.072 -8.749 -10.826 1.00 0.00 C ATOM 291 O ASP A 21 9.444 -8.073 -10.012 1.00 0.00 O ATOM 292 CB ASP A 21 12.294 -7.693 -10.373 1.00 0.00 C ATOM 293 CG ASP A 21 13.717 -7.525 -10.870 1.00 0.00 C ATOM 294 OD1 ASP A 21 14.395 -8.552 -11.083 1.00 0.00 O ATOM 295 OD2 ASP A 21 14.152 -6.368 -11.045 1.00 0.00 O ATOM 0 H ASP A 21 10.653 -6.324 -12.021 1.00 0.00 H new ATOM 0 HA ASP A 21 11.843 -9.037 -11.987 1.00 0.00 H new ATOM 0 HB2 ASP A 21 11.924 -6.735 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.287 -8.380 -9.527 1.00 0.00 H new ATOM 300 N ASN A 22 9.689 -9.964 -11.206 1.00 0.00 N ATOM 301 CA ASN A 22 8.481 -10.585 -10.676 1.00 0.00 C ATOM 302 C ASN A 22 8.680 -11.014 -9.226 1.00 0.00 C ATOM 303 O ASN A 22 7.718 -11.152 -8.470 1.00 0.00 O ATOM 304 CB ASN A 22 8.089 -11.795 -11.528 1.00 0.00 C ATOM 305 CG ASN A 22 9.183 -12.844 -11.580 1.00 0.00 C ATOM 306 OD1 ASN A 22 10.370 -12.521 -11.547 1.00 0.00 O ATOM 307 ND2 ASN A 22 8.786 -14.108 -11.663 1.00 0.00 N ATOM 0 H ASN A 22 10.198 -10.538 -11.879 1.00 0.00 H new ATOM 0 HA ASN A 22 7.679 -9.848 -10.711 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.180 -12.241 -11.124 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.859 -11.464 -12.541 1.00 0.00 H new ATOM 0 HD21 ASN A 22 9.476 -14.858 -11.702 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.791 -14.329 -11.688 1.00 0.00 H new ATOM 314 N LEU A 23 9.935 -11.223 -8.844 1.00 0.00 N ATOM 315 CA LEU A 23 10.262 -11.636 -7.483 1.00 0.00 C ATOM 316 C LEU A 23 9.453 -10.841 -6.464 1.00 0.00 C ATOM 317 O LEU A 23 9.865 -9.764 -6.033 1.00 0.00 O ATOM 318 CB LEU A 23 11.758 -11.452 -7.219 1.00 0.00 C ATOM 319 CG LEU A 23 12.232 -11.768 -5.800 1.00 0.00 C ATOM 320 CD1 LEU A 23 12.018 -13.240 -5.481 1.00 0.00 C ATOM 321 CD2 LEU A 23 13.697 -11.392 -5.632 1.00 0.00 C ATOM 0 H LEU A 23 10.743 -11.113 -9.457 1.00 0.00 H new ATOM 0 HA LEU A 23 10.008 -12.691 -7.378 1.00 0.00 H new ATOM 0 HB2 LEU A 23 12.310 -12.084 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 23 12.023 -10.420 -7.448 1.00 0.00 H new ATOM 0 HG LEU A 23 11.642 -11.176 -5.100 1.00 0.00 H new ATOM 0 HD11 LEU A 23 12.361 -13.446 -4.467 1.00 0.00 H new ATOM 0 HD12 LEU A 23 10.958 -13.479 -5.561 1.00 0.00 H new ATOM 0 HD13 LEU A 23 12.582 -13.851 -6.186 1.00 0.00 H new ATOM 0 HD21 LEU A 23 14.018 -11.624 -4.616 1.00 0.00 H new ATOM 0 HD22 LEU A 23 14.301 -11.957 -6.341 1.00 0.00 H new ATOM 0 HD23 LEU A 23 13.822 -10.325 -5.818 1.00 0.00 H new ATOM 333 N ARG A 24 8.300 -11.380 -6.081 1.00 0.00 N ATOM 334 CA ARG A 24 7.433 -10.721 -5.111 1.00 0.00 C ATOM 335 C ARG A 24 8.183 -10.444 -3.812 1.00 0.00 C ATOM 336 O ARG A 24 9.046 -11.221 -3.402 1.00 0.00 O ATOM 337 CB ARG A 24 6.201 -11.583 -4.828 1.00 0.00 C ATOM 338 CG ARG A 24 4.993 -10.786 -4.366 1.00 0.00 C ATOM 339 CD ARG A 24 3.769 -11.674 -4.200 1.00 0.00 C ATOM 340 NE ARG A 24 3.386 -12.317 -5.454 1.00 0.00 N ATOM 341 CZ ARG A 24 3.919 -13.452 -5.890 1.00 0.00 C ATOM 342 NH1 ARG A 24 4.853 -14.067 -5.178 1.00 0.00 N ATOM 343 NH2 ARG A 24 3.518 -13.976 -7.042 1.00 0.00 N ATOM 0 H ARG A 24 7.945 -12.271 -6.427 1.00 0.00 H new ATOM 0 HA ARG A 24 7.112 -9.769 -5.535 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.938 -12.134 -5.731 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.452 -12.321 -4.066 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.220 -10.296 -3.419 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.777 -9.999 -5.088 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.974 -12.437 -3.449 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.936 -11.077 -3.829 1.00 0.00 H new ATOM 0 HE ARG A 24 2.670 -11.870 -6.026 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.164 -13.668 -4.292 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.260 -14.939 -5.516 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.800 -13.506 -7.593 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.928 -14.848 -7.376 1.00 0.00 H new ATOM 357 N LYS A 25 7.848 -9.331 -3.167 1.00 0.00 N ATOM 358 CA LYS A 25 8.488 -8.951 -1.914 1.00 0.00 C ATOM 359 C LYS A 25 7.447 -8.605 -0.854 1.00 0.00 C ATOM 360 O LYS A 25 6.478 -7.897 -1.131 1.00 0.00 O ATOM 361 CB LYS A 25 9.422 -7.758 -2.135 1.00 0.00 C ATOM 362 CG LYS A 25 10.732 -8.128 -2.809 1.00 0.00 C ATOM 363 CD LYS A 25 11.597 -6.904 -3.056 1.00 0.00 C ATOM 364 CE LYS A 25 12.996 -7.292 -3.508 1.00 0.00 C ATOM 365 NZ LYS A 25 13.079 -7.447 -4.987 1.00 0.00 N ATOM 0 H LYS A 25 7.136 -8.677 -3.492 1.00 0.00 H new ATOM 0 HA LYS A 25 9.072 -9.801 -1.561 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.908 -7.013 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 25 9.637 -7.292 -1.173 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.275 -8.839 -2.186 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.527 -8.627 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 25 11.130 -6.274 -3.814 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.660 -6.311 -2.143 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.706 -6.532 -3.182 1.00 0.00 H new ATOM 0 HE3 LYS A 25 13.286 -8.227 -3.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 14.049 -7.712 -5.254 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 12.420 -8.190 -5.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.827 -6.548 -5.445 1.00 0.00 H new ATOM 379 N ARG A 26 7.654 -9.107 0.358 1.00 0.00 N ATOM 380 CA ARG A 26 6.733 -8.851 1.459 1.00 0.00 C ATOM 381 C ARG A 26 7.366 -7.924 2.493 1.00 0.00 C ATOM 382 O ARG A 26 8.429 -8.220 3.039 1.00 0.00 O ATOM 383 CB ARG A 26 6.318 -10.165 2.123 1.00 0.00 C ATOM 384 CG ARG A 26 5.221 -10.004 3.162 1.00 0.00 C ATOM 385 CD ARG A 26 5.044 -11.269 3.986 1.00 0.00 C ATOM 386 NE ARG A 26 4.287 -12.290 3.267 1.00 0.00 N ATOM 387 CZ ARG A 26 3.770 -13.367 3.847 1.00 0.00 C ATOM 388 NH1 ARG A 26 3.927 -13.563 5.149 1.00 0.00 N ATOM 389 NH2 ARG A 26 3.094 -14.251 3.125 1.00 0.00 N ATOM 0 H ARG A 26 8.452 -9.694 0.603 1.00 0.00 H new ATOM 0 HA ARG A 26 5.848 -8.363 1.052 1.00 0.00 H new ATOM 0 HB2 ARG A 26 5.979 -10.859 1.354 1.00 0.00 H new ATOM 0 HB3 ARG A 26 7.191 -10.615 2.596 1.00 0.00 H new ATOM 0 HG2 ARG A 26 5.462 -9.170 3.821 1.00 0.00 H new ATOM 0 HG3 ARG A 26 4.282 -9.757 2.666 1.00 0.00 H new ATOM 0 HD2 ARG A 26 6.023 -11.666 4.255 1.00 0.00 H new ATOM 0 HD3 ARG A 26 4.532 -11.026 4.917 1.00 0.00 H new ATOM 0 HE ARG A 26 4.148 -12.169 2.264 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.446 -12.886 5.708 1.00 0.00 H new ATOM 0 HH12 ARG A 26 3.529 -14.391 5.592 1.00 0.00 H new ATOM 0 HH21 ARG A 26 2.971 -14.104 2.123 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.697 -15.078 3.572 1.00 0.00 H new ATOM 403 N HIS A 27 6.705 -6.801 2.757 1.00 0.00 N ATOM 404 CA HIS A 27 7.203 -5.831 3.725 1.00 0.00 C ATOM 405 C HIS A 27 6.056 -5.235 4.536 1.00 0.00 C ATOM 406 O HIS A 27 4.889 -5.358 4.163 1.00 0.00 O ATOM 407 CB HIS A 27 7.972 -4.717 3.014 1.00 0.00 C ATOM 408 CG HIS A 27 9.041 -5.221 2.093 1.00 0.00 C ATOM 409 ND1 HIS A 27 9.237 -4.721 0.823 1.00 0.00 N ATOM 410 CD2 HIS A 27 9.975 -6.186 2.264 1.00 0.00 C ATOM 411 CE1 HIS A 27 10.244 -5.357 0.252 1.00 0.00 C ATOM 412 NE2 HIS A 27 10.710 -6.251 1.106 1.00 0.00 N ATOM 0 H HIS A 27 5.824 -6.541 2.314 1.00 0.00 H new ATOM 0 HA HIS A 27 7.877 -6.349 4.407 1.00 0.00 H new ATOM 0 HB2 HIS A 27 7.270 -4.109 2.444 1.00 0.00 H new ATOM 0 HB3 HIS A 27 8.425 -4.065 3.761 1.00 0.00 H new ATOM 0 HD2 HIS A 27 10.116 -6.792 3.147 1.00 0.00 H new ATOM 0 HE1 HIS A 27 10.622 -5.177 -0.743 1.00 0.00 H new ATOM 0 HE2 HIS A 27 11.489 -6.886 0.933 1.00 0.00 H new ATOM 421 N TYR A 28 6.396 -4.589 5.646 1.00 0.00 N ATOM 422 CA TYR A 28 5.395 -3.977 6.511 1.00 0.00 C ATOM 423 C TYR A 28 4.901 -2.659 5.925 1.00 0.00 C ATOM 424 O TYR A 28 5.366 -1.584 6.305 1.00 0.00 O ATOM 425 CB TYR A 28 5.972 -3.742 7.908 1.00 0.00 C ATOM 426 CG TYR A 28 4.932 -3.766 9.005 1.00 0.00 C ATOM 427 CD1 TYR A 28 4.055 -4.836 9.135 1.00 0.00 C ATOM 428 CD2 TYR A 28 4.828 -2.720 9.913 1.00 0.00 C ATOM 429 CE1 TYR A 28 3.103 -4.861 10.135 1.00 0.00 C ATOM 430 CE2 TYR A 28 3.880 -2.738 10.918 1.00 0.00 C ATOM 431 CZ TYR A 28 3.019 -3.810 11.024 1.00 0.00 C ATOM 432 OH TYR A 28 2.073 -3.833 12.023 1.00 0.00 O ATOM 0 H TYR A 28 7.357 -4.476 5.968 1.00 0.00 H new ATOM 0 HA TYR A 28 4.549 -4.661 6.585 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.723 -4.504 8.114 1.00 0.00 H new ATOM 0 HB3 TYR A 28 6.482 -2.779 7.924 1.00 0.00 H new ATOM 0 HD1 TYR A 28 4.119 -5.662 8.442 1.00 0.00 H new ATOM 0 HD2 TYR A 28 5.500 -1.878 9.832 1.00 0.00 H new ATOM 0 HE1 TYR A 28 2.428 -5.699 10.220 1.00 0.00 H new ATOM 0 HE2 TYR A 28 3.814 -1.917 11.617 1.00 0.00 H new ATOM 0 HH TYR A 28 1.182 -3.718 11.632 1.00 0.00 H new ATOM 442 N TRP A 29 3.954 -2.749 4.997 1.00 0.00 N ATOM 443 CA TRP A 29 3.395 -1.564 4.358 1.00 0.00 C ATOM 444 C TRP A 29 2.641 -0.705 5.367 1.00 0.00 C ATOM 445 O TRP A 29 1.807 -1.207 6.121 1.00 0.00 O ATOM 446 CB TRP A 29 2.463 -1.968 3.214 1.00 0.00 C ATOM 447 CG TRP A 29 3.186 -2.267 1.936 1.00 0.00 C ATOM 448 CD1 TRP A 29 4.319 -3.015 1.791 1.00 0.00 C ATOM 449 CD2 TRP A 29 2.825 -1.822 0.624 1.00 0.00 C ATOM 450 NE1 TRP A 29 4.684 -3.062 0.467 1.00 0.00 N ATOM 451 CE2 TRP A 29 3.784 -2.340 -0.270 1.00 0.00 C ATOM 452 CE3 TRP A 29 1.784 -1.040 0.116 1.00 0.00 C ATOM 453 CZ2 TRP A 29 3.732 -2.097 -1.640 1.00 0.00 C ATOM 454 CZ3 TRP A 29 1.734 -0.800 -1.244 1.00 0.00 C ATOM 455 CH2 TRP A 29 2.702 -1.328 -2.109 1.00 0.00 C ATOM 0 H TRP A 29 3.558 -3.631 4.671 1.00 0.00 H new ATOM 0 HA TRP A 29 4.220 -0.976 3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 29 1.891 -2.846 3.514 1.00 0.00 H new ATOM 0 HB3 TRP A 29 1.746 -1.166 3.038 1.00 0.00 H new ATOM 0 HD1 TRP A 29 4.850 -3.498 2.598 1.00 0.00 H new ATOM 0 HE1 TRP A 29 5.495 -3.555 0.093 1.00 0.00 H new ATOM 0 HE3 TRP A 29 1.032 -0.631 0.774 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 4.478 -2.501 -2.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 0.935 -0.195 -1.647 1.00 0.00 H new ATOM 0 HH2 TRP A 29 2.634 -1.124 -3.167 1.00 0.00 H new ATOM 466 N ARG A 30 2.938 0.590 5.375 1.00 0.00 N ATOM 467 CA ARG A 30 2.287 1.517 6.292 1.00 0.00 C ATOM 468 C ARG A 30 1.671 2.690 5.535 1.00 0.00 C ATOM 469 O ARG A 30 2.337 3.341 4.729 1.00 0.00 O ATOM 470 CB ARG A 30 3.290 2.034 7.325 1.00 0.00 C ATOM 471 CG ARG A 30 3.819 0.954 8.255 1.00 0.00 C ATOM 472 CD ARG A 30 4.311 1.541 9.568 1.00 0.00 C ATOM 473 NE ARG A 30 4.741 0.506 10.504 1.00 0.00 N ATOM 474 CZ ARG A 30 5.550 0.734 11.532 1.00 0.00 C ATOM 475 NH1 ARG A 30 6.014 1.956 11.756 1.00 0.00 N ATOM 476 NH2 ARG A 30 5.896 -0.260 12.340 1.00 0.00 N ATOM 0 H ARG A 30 3.625 1.021 4.757 1.00 0.00 H new ATOM 0 HA ARG A 30 1.490 0.980 6.806 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.129 2.496 6.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.816 2.814 7.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.033 0.226 8.453 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.633 0.419 7.767 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.141 2.220 9.373 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.515 2.132 10.022 1.00 0.00 H new ATOM 0 HE ARG A 30 4.401 -0.445 10.360 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.750 2.723 11.138 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.635 2.129 12.546 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.540 -1.201 12.172 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.518 -0.083 13.129 1.00 0.00 H new ATOM 490 N LEU A 31 0.396 2.953 5.798 1.00 0.00 N ATOM 491 CA LEU A 31 -0.311 4.047 5.141 1.00 0.00 C ATOM 492 C LEU A 31 -0.769 5.088 6.157 1.00 0.00 C ATOM 493 O LEU A 31 -0.913 4.790 7.343 1.00 0.00 O ATOM 494 CB LEU A 31 -1.515 3.509 4.366 1.00 0.00 C ATOM 495 CG LEU A 31 -2.664 4.494 4.143 1.00 0.00 C ATOM 496 CD1 LEU A 31 -2.301 5.503 3.065 1.00 0.00 C ATOM 497 CD2 LEU A 31 -3.939 3.750 3.773 1.00 0.00 C ATOM 0 H LEU A 31 -0.170 2.424 6.462 1.00 0.00 H new ATOM 0 HA LEU A 31 0.377 4.526 4.444 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -1.169 3.159 3.393 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -1.905 2.641 4.897 1.00 0.00 H new ATOM 0 HG LEU A 31 -2.839 5.035 5.073 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.130 6.195 2.920 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -1.414 6.058 3.370 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.098 4.980 2.131 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.746 4.466 3.618 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.776 3.183 2.857 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.209 3.068 4.579 1.00 0.00 H new ATOM 509 N ASP A 32 -1.000 6.308 5.684 1.00 0.00 N ATOM 510 CA ASP A 32 -1.445 7.392 6.551 1.00 0.00 C ATOM 511 C ASP A 32 -1.997 8.553 5.729 1.00 0.00 C ATOM 512 O ASP A 32 -1.994 8.512 4.499 1.00 0.00 O ATOM 513 CB ASP A 32 -0.292 7.877 7.431 1.00 0.00 C ATOM 514 CG ASP A 32 1.057 7.711 6.760 1.00 0.00 C ATOM 515 OD1 ASP A 32 1.421 6.561 6.434 1.00 0.00 O ATOM 516 OD2 ASP A 32 1.750 8.731 6.561 1.00 0.00 O ATOM 0 H ASP A 32 -0.886 6.571 4.705 1.00 0.00 H new ATOM 0 HA ASP A 32 -2.242 7.010 7.189 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -0.445 8.927 7.679 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -0.298 7.324 8.370 1.00 0.00 H new ATOM 521 N SER A 33 -2.472 9.586 6.418 1.00 0.00 N ATOM 522 CA SER A 33 -3.032 10.756 5.752 1.00 0.00 C ATOM 523 C SER A 33 -1.926 11.630 5.168 1.00 0.00 C ATOM 524 O SER A 33 -2.185 12.717 4.652 1.00 0.00 O ATOM 525 CB SER A 33 -3.878 11.571 6.732 1.00 0.00 C ATOM 526 OG SER A 33 -4.227 12.829 6.181 1.00 0.00 O ATOM 0 H SER A 33 -2.480 9.636 7.437 1.00 0.00 H new ATOM 0 HA SER A 33 -3.667 10.410 4.936 1.00 0.00 H new ATOM 0 HB2 SER A 33 -4.782 11.017 6.984 1.00 0.00 H new ATOM 0 HB3 SER A 33 -3.325 11.718 7.660 1.00 0.00 H new ATOM 0 HG SER A 33 -3.838 12.913 5.285 1.00 0.00 H new ATOM 532 N LYS A 34 -0.692 11.146 5.253 1.00 0.00 N ATOM 533 CA LYS A 34 0.456 11.881 4.733 1.00 0.00 C ATOM 534 C LYS A 34 1.003 11.215 3.475 1.00 0.00 C ATOM 535 O LYS A 34 0.919 11.772 2.380 1.00 0.00 O ATOM 536 CB LYS A 34 1.554 11.969 5.795 1.00 0.00 C ATOM 537 CG LYS A 34 2.752 12.797 5.363 1.00 0.00 C ATOM 538 CD LYS A 34 2.537 14.276 5.640 1.00 0.00 C ATOM 539 CE LYS A 34 3.857 15.028 5.705 1.00 0.00 C ATOM 540 NZ LYS A 34 4.499 14.908 7.043 1.00 0.00 N ATOM 0 H LYS A 34 -0.460 10.248 5.677 1.00 0.00 H new ATOM 0 HA LYS A 34 0.126 12.888 4.476 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.135 12.399 6.705 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.889 10.962 6.043 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.642 12.453 5.890 1.00 0.00 H new ATOM 0 HG3 LYS A 34 2.934 12.648 4.299 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.910 14.706 4.859 1.00 0.00 H new ATOM 0 HD3 LYS A 34 2.001 14.397 6.582 1.00 0.00 H new ATOM 0 HE2 LYS A 34 4.533 14.642 4.942 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.687 16.080 5.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.396 15.434 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 3.865 15.300 7.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.685 13.906 7.250 1.00 0.00 H new ATOM 554 N CYS A 35 1.561 10.020 3.638 1.00 0.00 N ATOM 555 CA CYS A 35 2.121 9.278 2.514 1.00 0.00 C ATOM 556 C CYS A 35 2.232 7.793 2.845 1.00 0.00 C ATOM 557 O CYS A 35 2.242 7.405 4.014 1.00 0.00 O ATOM 558 CB CYS A 35 3.496 9.835 2.143 1.00 0.00 C ATOM 559 SG CYS A 35 4.594 10.092 3.556 1.00 0.00 S ATOM 0 H CYS A 35 1.638 9.545 4.537 1.00 0.00 H new ATOM 0 HA CYS A 35 1.449 9.393 1.663 1.00 0.00 H new ATOM 0 HB2 CYS A 35 3.976 9.151 1.443 1.00 0.00 H new ATOM 0 HB3 CYS A 35 3.364 10.783 1.622 1.00 0.00 H new ATOM 0 HG CYS A 35 5.733 10.563 3.141 1.00 0.00 H new ATOM 565 N LEU A 36 2.315 6.966 1.808 1.00 0.00 N ATOM 566 CA LEU A 36 2.424 5.523 1.988 1.00 0.00 C ATOM 567 C LEU A 36 3.885 5.091 2.049 1.00 0.00 C ATOM 568 O LEU A 36 4.570 5.030 1.027 1.00 0.00 O ATOM 569 CB LEU A 36 1.711 4.792 0.848 1.00 0.00 C ATOM 570 CG LEU A 36 2.055 3.311 0.682 1.00 0.00 C ATOM 571 CD1 LEU A 36 1.326 2.474 1.722 1.00 0.00 C ATOM 572 CD2 LEU A 36 1.711 2.838 -0.723 1.00 0.00 C ATOM 0 H LEU A 36 2.309 7.270 0.834 1.00 0.00 H new ATOM 0 HA LEU A 36 1.948 5.262 2.933 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.636 4.880 1.003 1.00 0.00 H new ATOM 0 HB3 LEU A 36 1.941 5.305 -0.086 1.00 0.00 H new ATOM 0 HG LEU A 36 3.127 3.187 0.833 1.00 0.00 H new ATOM 0 HD11 LEU A 36 1.583 1.423 1.588 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.622 2.796 2.721 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.250 2.602 1.603 1.00 0.00 H new ATOM 0 HD21 LEU A 36 1.962 1.782 -0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.645 2.976 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.279 3.417 -1.451 1.00 0.00 H new ATOM 584 N THR A 37 4.358 4.788 3.254 1.00 0.00 N ATOM 585 CA THR A 37 5.737 4.360 3.449 1.00 0.00 C ATOM 586 C THR A 37 5.813 2.867 3.744 1.00 0.00 C ATOM 587 O THR A 37 4.868 2.279 4.272 1.00 0.00 O ATOM 588 CB THR A 37 6.408 5.133 4.601 1.00 0.00 C ATOM 589 OG1 THR A 37 5.906 6.474 4.648 1.00 0.00 O ATOM 590 CG2 THR A 37 7.919 5.158 4.428 1.00 0.00 C ATOM 0 H THR A 37 3.805 4.831 4.110 1.00 0.00 H new ATOM 0 HA THR A 37 6.267 4.572 2.521 1.00 0.00 H new ATOM 0 HB THR A 37 6.174 4.624 5.536 1.00 0.00 H new ATOM 0 HG1 THR A 37 6.336 6.959 5.384 1.00 0.00 H new ATOM 0 HG21 THR A 37 8.371 5.709 5.253 1.00 0.00 H new ATOM 0 HG22 THR A 37 8.301 4.137 4.421 1.00 0.00 H new ATOM 0 HG23 THR A 37 8.169 5.646 3.486 1.00 0.00 H new ATOM 598 N LEU A 38 6.942 2.257 3.399 1.00 0.00 N ATOM 599 CA LEU A 38 7.142 0.830 3.627 1.00 0.00 C ATOM 600 C LEU A 38 8.172 0.594 4.727 1.00 0.00 C ATOM 601 O LEU A 38 9.165 1.315 4.828 1.00 0.00 O ATOM 602 CB LEU A 38 7.591 0.145 2.335 1.00 0.00 C ATOM 603 CG LEU A 38 6.481 -0.234 1.355 1.00 0.00 C ATOM 604 CD1 LEU A 38 5.873 1.012 0.730 1.00 0.00 C ATOM 605 CD2 LEU A 38 7.016 -1.166 0.278 1.00 0.00 C ATOM 0 H LEU A 38 7.733 2.729 2.960 1.00 0.00 H new ATOM 0 HA LEU A 38 6.192 0.401 3.946 1.00 0.00 H new ATOM 0 HB2 LEU A 38 8.291 0.805 1.822 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.140 -0.759 2.599 1.00 0.00 H new ATOM 0 HG LEU A 38 5.700 -0.758 1.905 1.00 0.00 H new ATOM 0 HD11 LEU A 38 5.085 0.723 0.035 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.453 1.644 1.513 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.645 1.564 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 38 6.212 -1.425 -0.411 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.816 -0.668 -0.269 1.00 0.00 H new ATOM 0 HD23 LEU A 38 7.403 -2.073 0.742 1.00 0.00 H new ATOM 617 N PHE A 39 7.930 -0.423 5.548 1.00 0.00 N ATOM 618 CA PHE A 39 8.837 -0.756 6.640 1.00 0.00 C ATOM 619 C PHE A 39 9.313 -2.202 6.531 1.00 0.00 C ATOM 620 O PHE A 39 8.513 -3.135 6.599 1.00 0.00 O ATOM 621 CB PHE A 39 8.149 -0.534 7.989 1.00 0.00 C ATOM 622 CG PHE A 39 8.204 0.890 8.463 1.00 0.00 C ATOM 623 CD1 PHE A 39 7.336 1.839 7.948 1.00 0.00 C ATOM 624 CD2 PHE A 39 9.125 1.280 9.422 1.00 0.00 C ATOM 625 CE1 PHE A 39 7.383 3.151 8.382 1.00 0.00 C ATOM 626 CE2 PHE A 39 9.177 2.590 9.860 1.00 0.00 C ATOM 627 CZ PHE A 39 8.306 3.526 9.339 1.00 0.00 C ATOM 0 H PHE A 39 7.114 -1.030 5.478 1.00 0.00 H new ATOM 0 HA PHE A 39 9.705 -0.100 6.570 1.00 0.00 H new ATOM 0 HB2 PHE A 39 7.106 -0.843 7.911 1.00 0.00 H new ATOM 0 HB3 PHE A 39 8.616 -1.175 8.736 1.00 0.00 H new ATOM 0 HD1 PHE A 39 6.614 1.551 7.198 1.00 0.00 H new ATOM 0 HD2 PHE A 39 9.810 0.552 9.832 1.00 0.00 H new ATOM 0 HE1 PHE A 39 6.700 3.881 7.974 1.00 0.00 H new ATOM 0 HE2 PHE A 39 9.898 2.881 10.609 1.00 0.00 H new ATOM 0 HZ PHE A 39 8.346 4.550 9.679 1.00 0.00 H new ATOM 637 N GLN A 40 10.619 -2.378 6.360 1.00 0.00 N ATOM 638 CA GLN A 40 11.201 -3.709 6.239 1.00 0.00 C ATOM 639 C GLN A 40 10.647 -4.644 7.310 1.00 0.00 C ATOM 640 O GLN A 40 10.231 -5.763 7.015 1.00 0.00 O ATOM 641 CB GLN A 40 12.725 -3.635 6.349 1.00 0.00 C ATOM 642 CG GLN A 40 13.419 -4.962 6.087 1.00 0.00 C ATOM 643 CD GLN A 40 13.633 -5.227 4.610 1.00 0.00 C ATOM 644 OE1 GLN A 40 12.724 -5.051 3.798 1.00 0.00 O ATOM 645 NE2 GLN A 40 14.839 -5.653 4.254 1.00 0.00 N ATOM 0 H GLN A 40 11.294 -1.616 6.302 1.00 0.00 H new ATOM 0 HA GLN A 40 10.934 -4.107 5.260 1.00 0.00 H new ATOM 0 HB2 GLN A 40 13.097 -2.894 5.641 1.00 0.00 H new ATOM 0 HB3 GLN A 40 12.992 -3.285 7.346 1.00 0.00 H new ATOM 0 HG2 GLN A 40 14.382 -4.971 6.597 1.00 0.00 H new ATOM 0 HG3 GLN A 40 12.824 -5.769 6.515 1.00 0.00 H new ATOM 0 HE21 GLN A 40 15.562 -5.785 4.961 1.00 0.00 H new ATOM 0 HE22 GLN A 40 15.042 -5.848 3.274 1.00 0.00 H new ATOM 654 N ASN A 41 10.646 -4.176 8.554 1.00 0.00 N ATOM 655 CA ASN A 41 10.144 -4.971 9.669 1.00 0.00 C ATOM 656 C ASN A 41 9.218 -4.143 10.554 1.00 0.00 C ATOM 657 O ASN A 41 9.185 -2.917 10.458 1.00 0.00 O ATOM 658 CB ASN A 41 11.308 -5.516 10.498 1.00 0.00 C ATOM 659 CG ASN A 41 12.185 -6.469 9.709 1.00 0.00 C ATOM 660 OD1 ASN A 41 13.266 -6.100 9.249 1.00 0.00 O ATOM 661 ND2 ASN A 41 11.721 -7.703 9.547 1.00 0.00 N ATOM 0 H ASN A 41 10.987 -3.251 8.815 1.00 0.00 H new ATOM 0 HA ASN A 41 9.575 -5.806 9.260 1.00 0.00 H new ATOM 0 HB2 ASN A 41 11.913 -4.685 10.859 1.00 0.00 H new ATOM 0 HB3 ASN A 41 10.916 -6.030 11.376 1.00 0.00 H new ATOM 0 HD21 ASN A 41 12.266 -8.388 9.024 1.00 0.00 H new ATOM 0 HD22 ASN A 41 10.820 -7.965 9.946 1.00 0.00 H new ATOM 755 N TYR A 48 11.887 2.161 4.184 1.00 0.00 N ATOM 756 CA TYR A 48 12.381 1.445 3.014 1.00 0.00 C ATOM 757 C TYR A 48 12.097 2.229 1.736 1.00 0.00 C ATOM 758 O TYR A 48 12.989 2.451 0.917 1.00 0.00 O ATOM 759 CB TYR A 48 11.740 0.059 2.929 1.00 0.00 C ATOM 760 CG TYR A 48 11.897 -0.598 1.576 1.00 0.00 C ATOM 761 CD1 TYR A 48 11.035 -0.294 0.530 1.00 0.00 C ATOM 762 CD2 TYR A 48 12.907 -1.524 1.345 1.00 0.00 C ATOM 763 CE1 TYR A 48 11.174 -0.893 -0.707 1.00 0.00 C ATOM 764 CE2 TYR A 48 13.054 -2.126 0.110 1.00 0.00 C ATOM 765 CZ TYR A 48 12.185 -1.808 -0.912 1.00 0.00 C ATOM 766 OH TYR A 48 12.328 -2.406 -2.143 1.00 0.00 O ATOM 0 HA TYR A 48 13.460 1.332 3.118 1.00 0.00 H new ATOM 0 HB2 TYR A 48 12.183 -0.584 3.690 1.00 0.00 H new ATOM 0 HB3 TYR A 48 10.678 0.144 3.162 1.00 0.00 H new ATOM 0 HD1 TYR A 48 10.243 0.423 0.687 1.00 0.00 H new ATOM 0 HD2 TYR A 48 13.588 -1.777 2.144 1.00 0.00 H new ATOM 0 HE1 TYR A 48 10.494 -0.646 -1.509 1.00 0.00 H new ATOM 0 HE2 TYR A 48 13.846 -2.842 -0.054 1.00 0.00 H new ATOM 0 HH TYR A 48 13.088 -3.024 -2.120 1.00 0.00 H new ATOM 776 N LYS A 49 10.846 2.647 1.573 1.00 0.00 N ATOM 777 CA LYS A 49 10.441 3.408 0.397 1.00 0.00 C ATOM 778 C LYS A 49 9.231 4.283 0.706 1.00 0.00 C ATOM 779 O LYS A 49 8.228 3.806 1.235 1.00 0.00 O ATOM 780 CB LYS A 49 10.116 2.462 -0.762 1.00 0.00 C ATOM 781 CG LYS A 49 10.150 3.134 -2.123 1.00 0.00 C ATOM 782 CD LYS A 49 11.531 3.053 -2.751 1.00 0.00 C ATOM 783 CE LYS A 49 11.493 3.412 -4.229 1.00 0.00 C ATOM 784 NZ LYS A 49 12.807 3.922 -4.709 1.00 0.00 N ATOM 0 H LYS A 49 10.095 2.471 2.241 1.00 0.00 H new ATOM 0 HA LYS A 49 11.271 4.053 0.110 1.00 0.00 H new ATOM 0 HB2 LYS A 49 10.827 1.636 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 49 9.127 2.032 -0.603 1.00 0.00 H new ATOM 0 HG2 LYS A 49 9.422 2.661 -2.782 1.00 0.00 H new ATOM 0 HG3 LYS A 49 9.856 4.179 -2.021 1.00 0.00 H new ATOM 0 HD2 LYS A 49 12.209 3.728 -2.229 1.00 0.00 H new ATOM 0 HD3 LYS A 49 11.928 2.045 -2.630 1.00 0.00 H new ATOM 0 HE2 LYS A 49 11.210 2.534 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 49 10.726 4.167 -4.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 12.740 4.156 -5.720 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 13.065 4.775 -4.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 13.535 3.192 -4.570 1.00 0.00 H new ATOM 798 N GLU A 50 9.332 5.566 0.370 1.00 0.00 N ATOM 799 CA GLU A 50 8.245 6.507 0.612 1.00 0.00 C ATOM 800 C GLU A 50 7.417 6.717 -0.652 1.00 0.00 C ATOM 801 O GLU A 50 7.948 7.085 -1.700 1.00 0.00 O ATOM 802 CB GLU A 50 8.799 7.846 1.101 1.00 0.00 C ATOM 803 CG GLU A 50 7.797 8.665 1.897 1.00 0.00 C ATOM 804 CD GLU A 50 8.458 9.747 2.729 1.00 0.00 C ATOM 805 OE1 GLU A 50 8.693 10.849 2.192 1.00 0.00 O ATOM 806 OE2 GLU A 50 8.739 9.490 3.919 1.00 0.00 O ATOM 0 H GLU A 50 10.155 5.977 -0.070 1.00 0.00 H new ATOM 0 HA GLU A 50 7.599 6.087 1.383 1.00 0.00 H new ATOM 0 HB2 GLU A 50 9.678 7.662 1.719 1.00 0.00 H new ATOM 0 HB3 GLU A 50 9.130 8.428 0.241 1.00 0.00 H new ATOM 0 HG2 GLU A 50 7.083 9.123 1.213 1.00 0.00 H new ATOM 0 HG3 GLU A 50 7.231 8.003 2.552 1.00 0.00 H new ATOM 813 N ILE A 51 6.113 6.481 -0.545 1.00 0.00 N ATOM 814 CA ILE A 51 5.212 6.645 -1.678 1.00 0.00 C ATOM 815 C ILE A 51 4.183 7.738 -1.409 1.00 0.00 C ATOM 816 O ILE A 51 3.118 7.496 -0.840 1.00 0.00 O ATOM 817 CB ILE A 51 4.476 5.333 -2.007 1.00 0.00 C ATOM 818 CG1 ILE A 51 5.474 4.180 -2.130 1.00 0.00 C ATOM 819 CG2 ILE A 51 3.671 5.484 -3.289 1.00 0.00 C ATOM 820 CD1 ILE A 51 4.834 2.813 -2.026 1.00 0.00 C ATOM 0 H ILE A 51 5.658 6.176 0.315 1.00 0.00 H new ATOM 0 HA ILE A 51 5.827 6.931 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 51 3.787 5.106 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 51 5.991 4.258 -3.086 1.00 0.00 H new ATOM 0 HG13 ILE A 51 6.229 4.279 -1.350 1.00 0.00 H new ATOM 0 HG21 ILE A 51 3.157 4.548 -3.508 1.00 0.00 H new ATOM 0 HG22 ILE A 51 2.938 6.281 -3.166 1.00 0.00 H new ATOM 0 HG23 ILE A 51 4.341 5.731 -4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 51 5.601 2.044 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 51 4.341 2.715 -1.059 1.00 0.00 H new ATOM 0 HD13 ILE A 51 4.099 2.694 -2.822 1.00 0.00 H new ATOM 832 N PRO A 52 4.506 8.971 -1.828 1.00 0.00 N ATOM 833 CA PRO A 52 3.622 10.126 -1.645 1.00 0.00 C ATOM 834 C PRO A 52 2.377 10.047 -2.521 1.00 0.00 C ATOM 835 O PRO A 52 2.468 9.816 -3.728 1.00 0.00 O ATOM 836 CB PRO A 52 4.496 11.311 -2.062 1.00 0.00 C ATOM 837 CG PRO A 52 5.499 10.731 -2.999 1.00 0.00 C ATOM 838 CD PRO A 52 5.758 9.332 -2.513 1.00 0.00 C ATOM 0 HA PRO A 52 3.247 10.195 -0.624 1.00 0.00 H new ATOM 0 HB2 PRO A 52 3.905 12.088 -2.546 1.00 0.00 H new ATOM 0 HB3 PRO A 52 4.979 11.770 -1.199 1.00 0.00 H new ATOM 0 HG2 PRO A 52 5.121 10.725 -4.021 1.00 0.00 H new ATOM 0 HG3 PRO A 52 6.417 11.319 -3.002 1.00 0.00 H new ATOM 0 HD2 PRO A 52 5.974 8.654 -3.338 1.00 0.00 H new ATOM 0 HD3 PRO A 52 6.612 9.293 -1.836 1.00 0.00 H new ATOM 846 N LEU A 53 1.214 10.242 -1.908 1.00 0.00 N ATOM 847 CA LEU A 53 -0.051 10.194 -2.633 1.00 0.00 C ATOM 848 C LEU A 53 0.069 10.893 -3.984 1.00 0.00 C ATOM 849 O LEU A 53 -0.554 10.485 -4.963 1.00 0.00 O ATOM 850 CB LEU A 53 -1.161 10.845 -1.806 1.00 0.00 C ATOM 851 CG LEU A 53 -1.371 10.277 -0.402 1.00 0.00 C ATOM 852 CD1 LEU A 53 -2.258 11.200 0.419 1.00 0.00 C ATOM 853 CD2 LEU A 53 -1.973 8.882 -0.475 1.00 0.00 C ATOM 0 H LEU A 53 1.121 10.435 -0.911 1.00 0.00 H new ATOM 0 HA LEU A 53 -0.302 9.148 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.944 11.909 -1.717 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -2.097 10.755 -2.357 1.00 0.00 H new ATOM 0 HG LEU A 53 -0.401 10.206 0.090 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -2.397 10.780 1.415 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -1.787 12.180 0.501 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -3.227 11.303 -0.070 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.115 8.494 0.534 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -2.935 8.927 -0.986 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -1.301 8.224 -1.025 1.00 0.00 H new ATOM 865 N SER A 54 0.876 11.949 -4.028 1.00 0.00 N ATOM 866 CA SER A 54 1.076 12.706 -5.258 1.00 0.00 C ATOM 867 C SER A 54 1.694 11.829 -6.342 1.00 0.00 C ATOM 868 O SER A 54 1.229 11.811 -7.481 1.00 0.00 O ATOM 869 CB SER A 54 1.972 13.918 -4.995 1.00 0.00 C ATOM 870 OG SER A 54 1.376 14.799 -4.059 1.00 0.00 O ATOM 0 H SER A 54 1.401 12.299 -3.227 1.00 0.00 H new ATOM 0 HA SER A 54 0.102 13.051 -5.606 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.940 13.584 -4.620 1.00 0.00 H new ATOM 0 HB3 SER A 54 2.157 14.447 -5.930 1.00 0.00 H new ATOM 0 HG SER A 54 1.969 15.564 -3.907 1.00 0.00 H new ATOM 876 N GLU A 55 2.746 11.101 -5.978 1.00 0.00 N ATOM 877 CA GLU A 55 3.428 10.222 -6.919 1.00 0.00 C ATOM 878 C GLU A 55 2.427 9.354 -7.677 1.00 0.00 C ATOM 879 O GLU A 55 2.358 9.397 -8.906 1.00 0.00 O ATOM 880 CB GLU A 55 4.435 9.334 -6.184 1.00 0.00 C ATOM 881 CG GLU A 55 4.773 8.053 -6.928 1.00 0.00 C ATOM 882 CD GLU A 55 6.176 7.559 -6.630 1.00 0.00 C ATOM 883 OE1 GLU A 55 7.068 8.405 -6.409 1.00 0.00 O ATOM 884 OE2 GLU A 55 6.382 6.327 -6.619 1.00 0.00 O ATOM 0 H GLU A 55 3.143 11.103 -5.039 1.00 0.00 H new ATOM 0 HA GLU A 55 3.960 10.845 -7.638 1.00 0.00 H new ATOM 0 HB2 GLU A 55 5.352 9.900 -6.017 1.00 0.00 H new ATOM 0 HB3 GLU A 55 4.034 9.079 -5.203 1.00 0.00 H new ATOM 0 HG2 GLU A 55 4.054 7.280 -6.658 1.00 0.00 H new ATOM 0 HG3 GLU A 55 4.671 8.222 -8.000 1.00 0.00 H new ATOM 891 N ILE A 56 1.655 8.567 -6.935 1.00 0.00 N ATOM 892 CA ILE A 56 0.658 7.690 -7.536 1.00 0.00 C ATOM 893 C ILE A 56 -0.206 8.446 -8.541 1.00 0.00 C ATOM 894 O ILE A 56 -0.753 9.506 -8.232 1.00 0.00 O ATOM 895 CB ILE A 56 -0.253 7.057 -6.468 1.00 0.00 C ATOM 896 CG1 ILE A 56 0.583 6.274 -5.453 1.00 0.00 C ATOM 897 CG2 ILE A 56 -1.287 6.153 -7.121 1.00 0.00 C ATOM 898 CD1 ILE A 56 -0.187 5.878 -4.213 1.00 0.00 C ATOM 0 H ILE A 56 1.701 8.519 -5.917 1.00 0.00 H new ATOM 0 HA ILE A 56 1.204 6.900 -8.051 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.778 7.854 -5.941 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.972 5.375 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.442 6.877 -5.160 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -1.923 5.713 -6.353 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.899 6.737 -7.808 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.781 5.359 -7.671 1.00 0.00 H new ATOM 0 HD11 ILE A 56 0.468 5.327 -3.539 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -0.554 6.773 -3.711 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -1.031 5.248 -4.494 1.00 0.00 H new ATOM 910 N LEU A 57 -0.325 7.895 -9.743 1.00 0.00 N ATOM 911 CA LEU A 57 -1.124 8.516 -10.794 1.00 0.00 C ATOM 912 C LEU A 57 -2.525 7.915 -10.839 1.00 0.00 C ATOM 913 O LEU A 57 -3.521 8.623 -10.689 1.00 0.00 O ATOM 914 CB LEU A 57 -0.439 8.345 -12.151 1.00 0.00 C ATOM 915 CG LEU A 57 0.970 8.926 -12.269 1.00 0.00 C ATOM 916 CD1 LEU A 57 1.680 8.361 -13.490 1.00 0.00 C ATOM 917 CD2 LEU A 57 0.917 10.445 -12.336 1.00 0.00 C ATOM 0 H LEU A 57 0.122 7.019 -10.015 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.212 9.579 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.392 7.280 -12.380 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.066 8.808 -12.913 1.00 0.00 H new ATOM 0 HG LEU A 57 1.535 8.641 -11.381 1.00 0.00 H new ATOM 0 HD11 LEU A 57 2.681 8.786 -13.558 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.751 7.277 -13.400 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.117 8.615 -14.388 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.929 10.841 -12.420 1.00 0.00 H new ATOM 0 HD22 LEU A 57 0.335 10.751 -13.205 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.449 10.833 -11.431 1.00 0.00 H new ATOM 929 N ARG A 58 -2.595 6.604 -11.045 1.00 0.00 N ATOM 930 CA ARG A 58 -3.874 5.907 -11.109 1.00 0.00 C ATOM 931 C ARG A 58 -3.684 4.403 -10.933 1.00 0.00 C ATOM 932 O ARG A 58 -2.571 3.932 -10.696 1.00 0.00 O ATOM 933 CB ARG A 58 -4.568 6.191 -12.443 1.00 0.00 C ATOM 934 CG ARG A 58 -4.126 5.270 -13.568 1.00 0.00 C ATOM 935 CD ARG A 58 -2.650 5.449 -13.888 1.00 0.00 C ATOM 936 NE ARG A 58 -2.355 5.164 -15.289 1.00 0.00 N ATOM 937 CZ ARG A 58 -2.508 6.050 -16.267 1.00 0.00 C ATOM 938 NH1 ARG A 58 -2.950 7.270 -15.998 1.00 0.00 N ATOM 939 NH2 ARG A 58 -2.218 5.715 -17.518 1.00 0.00 N ATOM 0 H ARG A 58 -1.781 6.003 -11.170 1.00 0.00 H new ATOM 0 HA ARG A 58 -4.500 6.274 -10.296 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.646 6.096 -12.310 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -4.372 7.224 -12.732 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -4.315 4.234 -13.287 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.720 5.472 -14.460 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.350 6.471 -13.655 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -2.059 4.790 -13.252 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.013 4.234 -15.530 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -3.174 7.531 -15.038 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.066 7.948 -16.751 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -1.878 4.777 -17.729 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.336 6.396 -18.269 1.00 0.00 H new ATOM 953 N ILE A 59 -4.776 3.656 -11.051 1.00 0.00 N ATOM 954 CA ILE A 59 -4.729 2.207 -10.905 1.00 0.00 C ATOM 955 C ILE A 59 -4.987 1.512 -12.238 1.00 0.00 C ATOM 956 O ILE A 59 -5.706 2.031 -13.091 1.00 0.00 O ATOM 957 CB ILE A 59 -5.758 1.711 -9.872 1.00 0.00 C ATOM 958 CG1 ILE A 59 -5.504 2.363 -8.512 1.00 0.00 C ATOM 959 CG2 ILE A 59 -5.705 0.195 -9.757 1.00 0.00 C ATOM 960 CD1 ILE A 59 -4.263 1.847 -7.817 1.00 0.00 C ATOM 0 H ILE A 59 -5.704 4.030 -11.247 1.00 0.00 H new ATOM 0 HA ILE A 59 -3.727 1.957 -10.555 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.755 1.996 -10.209 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -5.414 3.441 -8.646 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -6.368 2.193 -7.869 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -6.438 -0.140 -9.023 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -5.931 -0.251 -10.725 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -4.708 -0.111 -9.440 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -4.145 2.353 -6.859 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -4.358 0.774 -7.651 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -3.390 2.042 -8.440 1.00 0.00 H new ATOM 972 N SER A 60 -4.396 0.333 -12.408 1.00 0.00 N ATOM 973 CA SER A 60 -4.560 -0.433 -13.638 1.00 0.00 C ATOM 974 C SER A 60 -5.645 -1.494 -13.477 1.00 0.00 C ATOM 975 O SER A 60 -5.872 -2.002 -12.379 1.00 0.00 O ATOM 976 CB SER A 60 -3.238 -1.095 -14.031 1.00 0.00 C ATOM 977 OG SER A 60 -3.314 -1.653 -15.332 1.00 0.00 O ATOM 0 H SER A 60 -3.800 -0.112 -11.710 1.00 0.00 H new ATOM 0 HA SER A 60 -4.863 0.255 -14.428 1.00 0.00 H new ATOM 0 HB2 SER A 60 -2.434 -0.360 -13.994 1.00 0.00 H new ATOM 0 HB3 SER A 60 -2.990 -1.875 -13.311 1.00 0.00 H new ATOM 0 HG SER A 60 -2.456 -2.068 -15.560 1.00 0.00 H new ATOM 1185 N HIS A 75 -3.222 -10.834 -8.191 1.00 0.00 N ATOM 1186 CA HIS A 75 -3.349 -9.546 -7.517 1.00 0.00 C ATOM 1187 C HIS A 75 -4.762 -8.990 -7.671 1.00 0.00 C ATOM 1188 O HIS A 75 -5.628 -9.627 -8.270 1.00 0.00 O ATOM 1189 CB HIS A 75 -2.333 -8.551 -8.078 1.00 0.00 C ATOM 1190 CG HIS A 75 -2.417 -8.382 -9.564 1.00 0.00 C ATOM 1191 ND1 HIS A 75 -2.131 -9.396 -10.454 1.00 0.00 N ATOM 1192 CD2 HIS A 75 -2.760 -7.310 -10.315 1.00 0.00 C ATOM 1193 CE1 HIS A 75 -2.292 -8.954 -11.689 1.00 0.00 C ATOM 1194 NE2 HIS A 75 -2.674 -7.690 -11.632 1.00 0.00 N ATOM 0 HA HIS A 75 -3.150 -9.697 -6.456 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -2.484 -7.582 -7.601 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -1.329 -8.883 -7.815 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -3.048 -6.336 -9.947 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -2.138 -9.528 -12.591 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -2.873 -7.094 -12.435 1.00 0.00 H new ATOM 1203 N CYS A 76 -4.986 -7.799 -7.126 1.00 0.00 N ATOM 1204 CA CYS A 76 -6.294 -7.158 -7.201 1.00 0.00 C ATOM 1205 C CYS A 76 -6.183 -5.769 -7.821 1.00 0.00 C ATOM 1206 O CYS A 76 -7.074 -5.329 -8.548 1.00 0.00 O ATOM 1207 CB CYS A 76 -6.917 -7.060 -5.808 1.00 0.00 C ATOM 1208 SG CYS A 76 -8.468 -6.131 -5.758 1.00 0.00 S ATOM 0 H CYS A 76 -4.279 -7.258 -6.628 1.00 0.00 H new ATOM 0 HA CYS A 76 -6.936 -7.769 -7.836 1.00 0.00 H new ATOM 0 HB2 CYS A 76 -7.096 -8.067 -5.430 1.00 0.00 H new ATOM 0 HB3 CYS A 76 -6.202 -6.589 -5.134 1.00 0.00 H new ATOM 0 HG CYS A 76 -8.663 -5.549 -6.904 1.00 0.00 H new ATOM 1214 N PHE A 77 -5.085 -5.081 -7.528 1.00 0.00 N ATOM 1215 CA PHE A 77 -4.858 -3.740 -8.054 1.00 0.00 C ATOM 1216 C PHE A 77 -3.373 -3.499 -8.307 1.00 0.00 C ATOM 1217 O PHE A 77 -2.520 -4.218 -7.788 1.00 0.00 O ATOM 1218 CB PHE A 77 -5.399 -2.690 -7.082 1.00 0.00 C ATOM 1219 CG PHE A 77 -4.598 -2.575 -5.816 1.00 0.00 C ATOM 1220 CD1 PHE A 77 -4.896 -3.365 -4.718 1.00 0.00 C ATOM 1221 CD2 PHE A 77 -3.547 -1.676 -5.726 1.00 0.00 C ATOM 1222 CE1 PHE A 77 -4.160 -3.262 -3.552 1.00 0.00 C ATOM 1223 CE2 PHE A 77 -2.808 -1.569 -4.563 1.00 0.00 C ATOM 1224 CZ PHE A 77 -3.115 -2.362 -3.474 1.00 0.00 C ATOM 0 H PHE A 77 -4.337 -5.430 -6.928 1.00 0.00 H new ATOM 0 HA PHE A 77 -5.388 -3.654 -9.002 1.00 0.00 H new ATOM 0 HB2 PHE A 77 -5.417 -1.721 -7.580 1.00 0.00 H new ATOM 0 HB3 PHE A 77 -6.430 -2.938 -6.829 1.00 0.00 H new ATOM 0 HD1 PHE A 77 -5.713 -4.070 -4.773 1.00 0.00 H new ATOM 0 HD2 PHE A 77 -3.303 -1.053 -6.573 1.00 0.00 H new ATOM 0 HE1 PHE A 77 -4.402 -3.884 -2.703 1.00 0.00 H new ATOM 0 HE2 PHE A 77 -1.991 -0.866 -4.505 1.00 0.00 H new ATOM 0 HZ PHE A 77 -2.539 -2.278 -2.564 1.00 0.00 H new ATOM 1234 N GLU A 78 -3.073 -2.481 -9.108 1.00 0.00 N ATOM 1235 CA GLU A 78 -1.691 -2.146 -9.431 1.00 0.00 C ATOM 1236 C GLU A 78 -1.451 -0.645 -9.300 1.00 0.00 C ATOM 1237 O GLU A 78 -2.232 0.166 -9.801 1.00 0.00 O ATOM 1238 CB GLU A 78 -1.350 -2.606 -10.850 1.00 0.00 C ATOM 1239 CG GLU A 78 -2.049 -3.892 -11.258 1.00 0.00 C ATOM 1240 CD GLU A 78 -1.679 -4.338 -12.659 1.00 0.00 C ATOM 1241 OE1 GLU A 78 -0.798 -3.699 -13.271 1.00 0.00 O ATOM 1242 OE2 GLU A 78 -2.271 -5.324 -13.144 1.00 0.00 O ATOM 0 H GLU A 78 -3.768 -1.875 -9.545 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.043 -2.664 -8.723 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -1.619 -1.818 -11.553 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.272 -2.748 -10.928 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.793 -4.680 -10.550 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -3.128 -3.749 -11.199 1.00 0.00 H new ATOM 1249 N ILE A 79 -0.367 -0.282 -8.623 1.00 0.00 N ATOM 1250 CA ILE A 79 -0.023 1.121 -8.426 1.00 0.00 C ATOM 1251 C ILE A 79 0.927 1.612 -9.513 1.00 0.00 C ATOM 1252 O ILE A 79 2.097 1.229 -9.548 1.00 0.00 O ATOM 1253 CB ILE A 79 0.626 1.353 -7.049 1.00 0.00 C ATOM 1254 CG1 ILE A 79 -0.228 0.724 -5.946 1.00 0.00 C ATOM 1255 CG2 ILE A 79 0.814 2.842 -6.797 1.00 0.00 C ATOM 1256 CD1 ILE A 79 0.528 0.492 -4.656 1.00 0.00 C ATOM 0 H ILE A 79 0.288 -0.940 -8.201 1.00 0.00 H new ATOM 0 HA ILE A 79 -0.954 1.685 -8.479 1.00 0.00 H new ATOM 0 HB ILE A 79 1.606 0.876 -7.040 1.00 0.00 H new ATOM 0 HG12 ILE A 79 -1.083 1.370 -5.746 1.00 0.00 H new ATOM 0 HG13 ILE A 79 -0.624 -0.227 -6.302 1.00 0.00 H new ATOM 0 HG21 ILE A 79 1.274 2.990 -5.820 1.00 0.00 H new ATOM 0 HG22 ILE A 79 1.458 3.263 -7.569 1.00 0.00 H new ATOM 0 HG23 ILE A 79 -0.155 3.340 -6.821 1.00 0.00 H new ATOM 0 HD11 ILE A 79 -0.139 0.044 -3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 79 1.367 -0.179 -4.841 1.00 0.00 H new ATOM 0 HD13 ILE A 79 0.901 1.443 -4.277 1.00 0.00 H new ATOM 1268 N ILE A 80 0.417 2.463 -10.397 1.00 0.00 N ATOM 1269 CA ILE A 80 1.221 3.009 -11.483 1.00 0.00 C ATOM 1270 C ILE A 80 1.935 4.285 -11.050 1.00 0.00 C ATOM 1271 O ILE A 80 1.301 5.253 -10.629 1.00 0.00 O ATOM 1272 CB ILE A 80 0.360 3.311 -12.723 1.00 0.00 C ATOM 1273 CG1 ILE A 80 -0.162 2.011 -13.338 1.00 0.00 C ATOM 1274 CG2 ILE A 80 1.163 4.102 -13.746 1.00 0.00 C ATOM 1275 CD1 ILE A 80 -1.451 1.523 -12.715 1.00 0.00 C ATOM 0 H ILE A 80 -0.549 2.789 -10.382 1.00 0.00 H new ATOM 0 HA ILE A 80 1.961 2.251 -11.741 1.00 0.00 H new ATOM 0 HB ILE A 80 -0.494 3.914 -12.415 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -0.318 2.161 -14.406 1.00 0.00 H new ATOM 0 HG13 ILE A 80 0.599 1.238 -13.233 1.00 0.00 H new ATOM 0 HG21 ILE A 80 0.541 4.308 -14.617 1.00 0.00 H new ATOM 0 HG22 ILE A 80 1.490 5.043 -13.303 1.00 0.00 H new ATOM 0 HG23 ILE A 80 2.034 3.523 -14.051 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -1.762 0.598 -13.200 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -1.295 1.341 -11.652 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -2.226 2.278 -12.844 1.00 0.00 H new ATOM 1287 N THR A 81 3.260 4.280 -11.159 1.00 0.00 N ATOM 1288 CA THR A 81 4.062 5.437 -10.780 1.00 0.00 C ATOM 1289 C THR A 81 4.952 5.890 -11.931 1.00 0.00 C ATOM 1290 O THR A 81 5.538 5.068 -12.636 1.00 0.00 O ATOM 1291 CB THR A 81 4.944 5.132 -9.554 1.00 0.00 C ATOM 1292 OG1 THR A 81 5.842 4.057 -9.851 1.00 0.00 O ATOM 1293 CG2 THR A 81 4.088 4.766 -8.350 1.00 0.00 C ATOM 0 H THR A 81 3.800 3.488 -11.507 1.00 0.00 H new ATOM 0 HA THR A 81 3.364 6.236 -10.527 1.00 0.00 H new ATOM 0 HB THR A 81 5.517 6.028 -9.315 1.00 0.00 H new ATOM 0 HG1 THR A 81 6.760 4.332 -9.648 1.00 0.00 H new ATOM 0 HG21 THR A 81 4.732 4.555 -7.496 1.00 0.00 H new ATOM 0 HG22 THR A 81 3.426 5.597 -8.108 1.00 0.00 H new ATOM 0 HG23 THR A 81 3.492 3.883 -8.582 1.00 0.00 H new ATOM 1301 N ASP A 82 5.050 7.202 -12.116 1.00 0.00 N ATOM 1302 CA ASP A 82 5.871 7.765 -13.182 1.00 0.00 C ATOM 1303 C ASP A 82 7.143 6.945 -13.378 1.00 0.00 C ATOM 1304 O ASP A 82 7.686 6.876 -14.481 1.00 0.00 O ATOM 1305 CB ASP A 82 6.229 9.218 -12.865 1.00 0.00 C ATOM 1306 CG ASP A 82 5.199 10.196 -13.395 1.00 0.00 C ATOM 1307 OD1 ASP A 82 4.815 10.072 -14.576 1.00 0.00 O ATOM 1308 OD2 ASP A 82 4.778 11.086 -12.627 1.00 0.00 O ATOM 0 H ASP A 82 4.571 7.896 -11.542 1.00 0.00 H new ATOM 0 HA ASP A 82 5.295 7.735 -14.107 1.00 0.00 H new ATOM 0 HB2 ASP A 82 6.320 9.340 -11.786 1.00 0.00 H new ATOM 0 HB3 ASP A 82 7.203 9.452 -13.295 1.00 0.00 H new ATOM 1313 N THR A 83 7.615 6.326 -12.300 1.00 0.00 N ATOM 1314 CA THR A 83 8.824 5.514 -12.353 1.00 0.00 C ATOM 1315 C THR A 83 8.547 4.157 -12.991 1.00 0.00 C ATOM 1316 O THR A 83 8.973 3.891 -14.114 1.00 0.00 O ATOM 1317 CB THR A 83 9.416 5.296 -10.948 1.00 0.00 C ATOM 1318 OG1 THR A 83 8.382 4.917 -10.033 1.00 0.00 O ATOM 1319 CG2 THR A 83 10.103 6.559 -10.449 1.00 0.00 C ATOM 0 H THR A 83 7.178 6.372 -11.380 1.00 0.00 H new ATOM 0 HA THR A 83 9.545 6.059 -12.963 1.00 0.00 H new ATOM 0 HB THR A 83 10.156 4.498 -11.010 1.00 0.00 H new ATOM 0 HG1 THR A 83 8.768 4.779 -9.143 1.00 0.00 H new ATOM 0 HG21 THR A 83 10.513 6.381 -9.455 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.909 6.829 -11.132 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.379 7.373 -10.403 1.00 0.00 H new ATOM 1327 N MET A 84 7.830 3.304 -12.267 1.00 0.00 N ATOM 1328 CA MET A 84 7.495 1.974 -12.765 1.00 0.00 C ATOM 1329 C MET A 84 6.122 1.537 -12.266 1.00 0.00 C ATOM 1330 O MET A 84 5.531 2.182 -11.399 1.00 0.00 O ATOM 1331 CB MET A 84 8.555 0.961 -12.329 1.00 0.00 C ATOM 1332 CG MET A 84 9.725 0.852 -13.294 1.00 0.00 C ATOM 1333 SD MET A 84 11.024 -0.242 -12.690 1.00 0.00 S ATOM 1334 CE MET A 84 10.267 -1.844 -12.953 1.00 0.00 C ATOM 0 H MET A 84 7.470 3.509 -11.335 1.00 0.00 H new ATOM 0 HA MET A 84 7.470 2.017 -13.854 1.00 0.00 H new ATOM 0 HB2 MET A 84 8.931 1.242 -11.345 1.00 0.00 H new ATOM 0 HB3 MET A 84 8.088 -0.019 -12.224 1.00 0.00 H new ATOM 0 HG2 MET A 84 9.365 0.486 -14.255 1.00 0.00 H new ATOM 0 HG3 MET A 84 10.142 1.844 -13.467 1.00 0.00 H new ATOM 0 HE1 MET A 84 10.971 -2.629 -12.677 1.00 0.00 H new ATOM 0 HE2 MET A 84 9.370 -1.928 -12.339 1.00 0.00 H new ATOM 0 HE3 MET A 84 9.998 -1.951 -14.004 1.00 0.00 H new ATOM 1344 N VAL A 85 5.618 0.438 -12.818 1.00 0.00 N ATOM 1345 CA VAL A 85 4.314 -0.085 -12.428 1.00 0.00 C ATOM 1346 C VAL A 85 4.447 -1.113 -11.310 1.00 0.00 C ATOM 1347 O VAL A 85 5.223 -2.063 -11.415 1.00 0.00 O ATOM 1348 CB VAL A 85 3.589 -0.733 -13.623 1.00 0.00 C ATOM 1349 CG1 VAL A 85 2.242 -1.291 -13.191 1.00 0.00 C ATOM 1350 CG2 VAL A 85 3.423 0.271 -14.753 1.00 0.00 C ATOM 0 H VAL A 85 6.093 -0.108 -13.537 1.00 0.00 H new ATOM 0 HA VAL A 85 3.727 0.761 -12.072 1.00 0.00 H new ATOM 0 HB VAL A 85 4.197 -1.560 -13.990 1.00 0.00 H new ATOM 0 HG11 VAL A 85 1.744 -1.745 -14.048 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.391 -2.044 -12.417 1.00 0.00 H new ATOM 0 HG13 VAL A 85 1.623 -0.484 -12.797 1.00 0.00 H new ATOM 0 HG21 VAL A 85 2.909 -0.204 -15.589 1.00 0.00 H new ATOM 0 HG22 VAL A 85 2.837 1.120 -14.402 1.00 0.00 H new ATOM 0 HG23 VAL A 85 4.404 0.617 -15.079 1.00 0.00 H new ATOM 1360 N TYR A 86 3.684 -0.917 -10.240 1.00 0.00 N ATOM 1361 CA TYR A 86 3.718 -1.826 -9.101 1.00 0.00 C ATOM 1362 C TYR A 86 2.461 -2.690 -9.056 1.00 0.00 C ATOM 1363 O TYR A 86 1.373 -2.243 -9.418 1.00 0.00 O ATOM 1364 CB TYR A 86 3.855 -1.038 -7.797 1.00 0.00 C ATOM 1365 CG TYR A 86 5.032 -0.089 -7.784 1.00 0.00 C ATOM 1366 CD1 TYR A 86 6.116 -0.284 -8.630 1.00 0.00 C ATOM 1367 CD2 TYR A 86 5.059 1.003 -6.925 1.00 0.00 C ATOM 1368 CE1 TYR A 86 7.194 0.580 -8.621 1.00 0.00 C ATOM 1369 CE2 TYR A 86 6.132 1.874 -6.911 1.00 0.00 C ATOM 1370 CZ TYR A 86 7.197 1.658 -7.760 1.00 0.00 C ATOM 1371 OH TYR A 86 8.268 2.521 -7.748 1.00 0.00 O ATOM 0 H TYR A 86 3.035 -0.137 -10.138 1.00 0.00 H new ATOM 0 HA TYR A 86 4.583 -2.480 -9.216 1.00 0.00 H new ATOM 0 HB2 TYR A 86 2.940 -0.471 -7.627 1.00 0.00 H new ATOM 0 HB3 TYR A 86 3.955 -1.738 -6.968 1.00 0.00 H new ATOM 0 HD1 TYR A 86 6.116 -1.126 -9.307 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.228 1.174 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 86 8.030 0.412 -9.284 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.136 2.719 -6.239 1.00 0.00 H new ATOM 0 HH TYR A 86 8.112 3.227 -7.086 1.00 0.00 H new ATOM 1381 N PHE A 87 2.621 -3.932 -8.610 1.00 0.00 N ATOM 1382 CA PHE A 87 1.500 -4.860 -8.517 1.00 0.00 C ATOM 1383 C PHE A 87 1.297 -5.325 -7.078 1.00 0.00 C ATOM 1384 O PHE A 87 2.122 -6.053 -6.526 1.00 0.00 O ATOM 1385 CB PHE A 87 1.735 -6.068 -9.427 1.00 0.00 C ATOM 1386 CG PHE A 87 1.980 -5.699 -10.862 1.00 0.00 C ATOM 1387 CD1 PHE A 87 3.231 -5.272 -11.277 1.00 0.00 C ATOM 1388 CD2 PHE A 87 0.960 -5.780 -11.796 1.00 0.00 C ATOM 1389 CE1 PHE A 87 3.459 -4.930 -12.597 1.00 0.00 C ATOM 1390 CE2 PHE A 87 1.182 -5.440 -13.117 1.00 0.00 C ATOM 1391 CZ PHE A 87 2.434 -5.016 -13.519 1.00 0.00 C ATOM 0 H PHE A 87 3.515 -4.319 -8.308 1.00 0.00 H new ATOM 0 HA PHE A 87 0.600 -4.338 -8.842 1.00 0.00 H new ATOM 0 HB2 PHE A 87 2.590 -6.633 -9.054 1.00 0.00 H new ATOM 0 HB3 PHE A 87 0.869 -6.728 -9.373 1.00 0.00 H new ATOM 0 HD1 PHE A 87 4.037 -5.206 -10.561 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -0.020 -6.113 -11.488 1.00 0.00 H new ATOM 0 HE1 PHE A 87 4.438 -4.596 -12.907 1.00 0.00 H new ATOM 0 HE2 PHE A 87 0.377 -5.506 -13.835 1.00 0.00 H new ATOM 0 HZ PHE A 87 2.611 -4.753 -14.551 1.00 0.00 H new ATOM 1401 N VAL A 88 0.191 -4.899 -6.476 1.00 0.00 N ATOM 1402 CA VAL A 88 -0.123 -5.271 -5.102 1.00 0.00 C ATOM 1403 C VAL A 88 -1.392 -6.113 -5.036 1.00 0.00 C ATOM 1404 O VAL A 88 -2.358 -5.854 -5.752 1.00 0.00 O ATOM 1405 CB VAL A 88 -0.298 -4.028 -4.209 1.00 0.00 C ATOM 1406 CG1 VAL A 88 -0.433 -4.432 -2.749 1.00 0.00 C ATOM 1407 CG2 VAL A 88 0.867 -3.068 -4.399 1.00 0.00 C ATOM 0 H VAL A 88 -0.502 -4.296 -6.919 1.00 0.00 H new ATOM 0 HA VAL A 88 0.718 -5.858 -4.734 1.00 0.00 H new ATOM 0 HB VAL A 88 -1.214 -3.516 -4.505 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -0.556 -3.540 -2.135 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.303 -5.078 -2.629 1.00 0.00 H new ATOM 0 HG13 VAL A 88 0.463 -4.968 -2.436 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.727 -2.195 -3.761 1.00 0.00 H new ATOM 0 HG22 VAL A 88 1.798 -3.568 -4.131 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.912 -2.752 -5.441 1.00 0.00 H new ATOM 1417 N GLY A 89 -1.382 -7.122 -4.171 1.00 0.00 N ATOM 1418 CA GLY A 89 -2.539 -7.987 -4.027 1.00 0.00 C ATOM 1419 C GLY A 89 -2.155 -9.443 -3.849 1.00 0.00 C ATOM 1420 O GLY A 89 -1.307 -9.961 -4.575 1.00 0.00 O ATOM 0 H GLY A 89 -0.594 -7.356 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -3.127 -7.662 -3.169 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -3.175 -7.887 -4.906 1.00 0.00 H new ATOM 1424 N GLU A 90 -2.781 -10.104 -2.880 1.00 0.00 N ATOM 1425 CA GLU A 90 -2.498 -11.508 -2.608 1.00 0.00 C ATOM 1426 C GLU A 90 -3.790 -12.296 -2.412 1.00 0.00 C ATOM 1427 O GLU A 90 -4.423 -12.218 -1.360 1.00 0.00 O ATOM 1428 CB GLU A 90 -1.613 -11.642 -1.367 1.00 0.00 C ATOM 1429 CG GLU A 90 -1.468 -13.072 -0.874 1.00 0.00 C ATOM 1430 CD GLU A 90 -0.181 -13.296 -0.105 1.00 0.00 C ATOM 1431 OE1 GLU A 90 0.151 -12.453 0.755 1.00 0.00 O ATOM 1432 OE2 GLU A 90 0.495 -14.314 -0.363 1.00 0.00 O ATOM 0 H GLU A 90 -3.487 -9.690 -2.271 1.00 0.00 H new ATOM 0 HA GLU A 90 -1.970 -11.918 -3.468 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -0.624 -11.242 -1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.030 -11.031 -0.566 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.316 -13.320 -0.236 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -1.501 -13.751 -1.726 1.00 0.00 H new ATOM 1439 N ASN A 91 -4.175 -13.053 -3.434 1.00 0.00 N ATOM 1440 CA ASN A 91 -5.392 -13.855 -3.376 1.00 0.00 C ATOM 1441 C ASN A 91 -5.067 -15.318 -3.093 1.00 0.00 C ATOM 1442 O ASN A 91 -4.436 -15.992 -3.906 1.00 0.00 O ATOM 1443 CB ASN A 91 -6.168 -13.737 -4.689 1.00 0.00 C ATOM 1444 CG ASN A 91 -6.337 -12.298 -5.135 1.00 0.00 C ATOM 1445 OD1 ASN A 91 -5.584 -11.804 -5.975 1.00 0.00 O ATOM 1446 ND2 ASN A 91 -7.328 -11.616 -4.572 1.00 0.00 N ATOM 0 H ASN A 91 -3.662 -13.128 -4.312 1.00 0.00 H new ATOM 0 HA ASN A 91 -6.009 -13.475 -2.562 1.00 0.00 H new ATOM 0 HB2 ASN A 91 -5.648 -14.296 -5.466 1.00 0.00 H new ATOM 0 HB3 ASN A 91 -7.150 -14.195 -4.570 1.00 0.00 H new ATOM 0 HD21 ASN A 91 -7.489 -10.643 -4.832 1.00 0.00 H new ATOM 0 HD22 ASN A 91 -7.928 -12.065 -3.880 1.00 0.00 H new ATOM 1646 N GLY A 107 -5.058 -12.476 1.163 1.00 0.00 N ATOM 1647 CA GLY A 107 -6.414 -12.595 0.659 1.00 0.00 C ATOM 1648 C GLY A 107 -6.891 -11.330 -0.026 1.00 0.00 C ATOM 1649 O GLY A 107 -6.135 -10.367 -0.166 1.00 0.00 O ATOM 0 HA2 GLY A 107 -6.465 -13.427 -0.044 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -7.085 -12.833 1.484 1.00 0.00 H new ATOM 1653 N LEU A 108 -8.149 -11.330 -0.455 1.00 0.00 N ATOM 1654 CA LEU A 108 -8.726 -10.173 -1.131 1.00 0.00 C ATOM 1655 C LEU A 108 -9.370 -9.222 -0.128 1.00 0.00 C ATOM 1656 O LEU A 108 -9.186 -8.007 -0.204 1.00 0.00 O ATOM 1657 CB LEU A 108 -9.763 -10.625 -2.161 1.00 0.00 C ATOM 1658 CG LEU A 108 -10.641 -9.524 -2.757 1.00 0.00 C ATOM 1659 CD1 LEU A 108 -9.873 -8.741 -3.811 1.00 0.00 C ATOM 1660 CD2 LEU A 108 -11.911 -10.117 -3.351 1.00 0.00 C ATOM 0 H LEU A 108 -8.788 -12.118 -0.347 1.00 0.00 H new ATOM 0 HA LEU A 108 -7.922 -9.643 -1.642 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -9.241 -11.127 -2.976 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -10.411 -11.366 -1.693 1.00 0.00 H new ATOM 0 HG LEU A 108 -10.923 -8.838 -1.958 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -10.514 -7.962 -4.224 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -8.994 -8.285 -3.356 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -9.561 -9.415 -4.609 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -12.524 -9.319 -3.770 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -11.649 -10.825 -4.137 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -12.471 -10.633 -2.571 1.00 0.00 H new ATOM 1672 N ASP A 109 -10.124 -9.782 0.811 1.00 0.00 N ATOM 1673 CA ASP A 109 -10.793 -8.984 1.832 1.00 0.00 C ATOM 1674 C ASP A 109 -9.864 -7.900 2.369 1.00 0.00 C ATOM 1675 O ASP A 109 -10.259 -6.743 2.510 1.00 0.00 O ATOM 1676 CB ASP A 109 -11.270 -9.878 2.977 1.00 0.00 C ATOM 1677 CG ASP A 109 -12.517 -10.662 2.619 1.00 0.00 C ATOM 1678 OD1 ASP A 109 -12.388 -11.711 1.955 1.00 0.00 O ATOM 1679 OD2 ASP A 109 -13.623 -10.226 3.002 1.00 0.00 O ATOM 0 H ASP A 109 -10.287 -10.786 0.887 1.00 0.00 H new ATOM 0 HA ASP A 109 -11.657 -8.503 1.374 1.00 0.00 H new ATOM 0 HB2 ASP A 109 -10.474 -10.571 3.248 1.00 0.00 H new ATOM 0 HB3 ASP A 109 -11.470 -9.263 3.855 1.00 0.00 H new ATOM 1684 N VAL A 110 -8.627 -8.283 2.668 1.00 0.00 N ATOM 1685 CA VAL A 110 -7.641 -7.344 3.190 1.00 0.00 C ATOM 1686 C VAL A 110 -7.161 -6.389 2.102 1.00 0.00 C ATOM 1687 O VAL A 110 -6.969 -5.199 2.348 1.00 0.00 O ATOM 1688 CB VAL A 110 -6.425 -8.079 3.785 1.00 0.00 C ATOM 1689 CG1 VAL A 110 -5.739 -8.924 2.722 1.00 0.00 C ATOM 1690 CG2 VAL A 110 -5.450 -7.086 4.399 1.00 0.00 C ATOM 0 H VAL A 110 -8.284 -9.237 2.558 1.00 0.00 H new ATOM 0 HA VAL A 110 -8.133 -6.775 3.978 1.00 0.00 H new ATOM 0 HB VAL A 110 -6.775 -8.744 4.574 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -4.882 -9.436 3.161 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -6.442 -9.661 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -5.400 -8.282 1.909 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -4.597 -7.623 4.814 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -5.104 -6.394 3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -5.949 -6.529 5.192 1.00 0.00 H new ATOM 1700 N ALA A 111 -6.971 -6.920 0.899 1.00 0.00 N ATOM 1701 CA ALA A 111 -6.516 -6.115 -0.228 1.00 0.00 C ATOM 1702 C ALA A 111 -7.526 -5.023 -0.565 1.00 0.00 C ATOM 1703 O ALA A 111 -7.156 -3.949 -1.038 1.00 0.00 O ATOM 1704 CB ALA A 111 -6.266 -6.998 -1.441 1.00 0.00 C ATOM 0 H ALA A 111 -7.125 -7.904 0.680 1.00 0.00 H new ATOM 0 HA ALA A 111 -5.580 -5.633 0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -5.927 -6.383 -2.275 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -5.502 -7.738 -1.201 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -7.190 -7.507 -1.717 1.00 0.00 H new ATOM 1710 N GLN A 112 -8.801 -5.306 -0.320 1.00 0.00 N ATOM 1711 CA GLN A 112 -9.864 -4.348 -0.599 1.00 0.00 C ATOM 1712 C GLN A 112 -9.761 -3.137 0.323 1.00 0.00 C ATOM 1713 O GLN A 112 -9.958 -2.000 -0.105 1.00 0.00 O ATOM 1714 CB GLN A 112 -11.233 -5.011 -0.440 1.00 0.00 C ATOM 1715 CG GLN A 112 -11.660 -5.824 -1.651 1.00 0.00 C ATOM 1716 CD GLN A 112 -13.072 -6.360 -1.526 1.00 0.00 C ATOM 1717 OE1 GLN A 112 -13.639 -6.400 -0.433 1.00 0.00 O ATOM 1718 NE2 GLN A 112 -13.650 -6.776 -2.647 1.00 0.00 N ATOM 0 H GLN A 112 -9.123 -6.191 0.071 1.00 0.00 H new ATOM 0 HA GLN A 112 -9.751 -4.008 -1.629 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -11.213 -5.661 0.435 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -11.980 -4.241 -0.248 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -11.589 -5.203 -2.544 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -10.970 -6.657 -1.786 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -13.144 -6.725 -3.531 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -14.600 -7.147 -2.624 1.00 0.00 H new ATOM 1727 N SER A 113 -9.453 -3.390 1.591 1.00 0.00 N ATOM 1728 CA SER A 113 -9.329 -2.321 2.575 1.00 0.00 C ATOM 1729 C SER A 113 -8.148 -1.413 2.245 1.00 0.00 C ATOM 1730 O SER A 113 -8.193 -0.207 2.483 1.00 0.00 O ATOM 1731 CB SER A 113 -9.160 -2.908 3.978 1.00 0.00 C ATOM 1732 OG SER A 113 -9.157 -1.887 4.961 1.00 0.00 O ATOM 0 H SER A 113 -9.285 -4.326 1.961 1.00 0.00 H new ATOM 0 HA SER A 113 -10.242 -1.726 2.546 1.00 0.00 H new ATOM 0 HB2 SER A 113 -9.968 -3.611 4.181 1.00 0.00 H new ATOM 0 HB3 SER A 113 -8.228 -3.470 4.030 1.00 0.00 H new ATOM 0 HG SER A 113 -9.049 -2.288 5.849 1.00 0.00 H new ATOM 1738 N TRP A 114 -7.093 -2.003 1.696 1.00 0.00 N ATOM 1739 CA TRP A 114 -5.899 -1.249 1.332 1.00 0.00 C ATOM 1740 C TRP A 114 -6.130 -0.442 0.059 1.00 0.00 C ATOM 1741 O TRP A 114 -5.884 0.763 0.025 1.00 0.00 O ATOM 1742 CB TRP A 114 -4.711 -2.194 1.143 1.00 0.00 C ATOM 1743 CG TRP A 114 -4.005 -2.525 2.423 1.00 0.00 C ATOM 1744 CD1 TRP A 114 -4.245 -3.595 3.237 1.00 0.00 C ATOM 1745 CD2 TRP A 114 -2.947 -1.781 3.035 1.00 0.00 C ATOM 1746 NE1 TRP A 114 -3.399 -3.560 4.320 1.00 0.00 N ATOM 1747 CE2 TRP A 114 -2.592 -2.458 4.219 1.00 0.00 C ATOM 1748 CE3 TRP A 114 -2.263 -0.610 2.699 1.00 0.00 C ATOM 1749 CZ2 TRP A 114 -1.585 -2.000 5.064 1.00 0.00 C ATOM 1750 CZ3 TRP A 114 -1.264 -0.157 3.539 1.00 0.00 C ATOM 1751 CH2 TRP A 114 -0.932 -0.851 4.710 1.00 0.00 C ATOM 0 H TRP A 114 -7.040 -3.001 1.493 1.00 0.00 H new ATOM 0 HA TRP A 114 -5.677 -0.556 2.143 1.00 0.00 H new ATOM 0 HB2 TRP A 114 -5.060 -3.117 0.680 1.00 0.00 H new ATOM 0 HB3 TRP A 114 -4.001 -1.740 0.452 1.00 0.00 H new ATOM 0 HD1 TRP A 114 -4.990 -4.356 3.057 1.00 0.00 H new ATOM 0 HE1 TRP A 114 -3.376 -4.244 5.076 1.00 0.00 H new ATOM 0 HE3 TRP A 114 -2.511 -0.068 1.798 1.00 0.00 H new ATOM 0 HZ2 TRP A 114 -1.328 -2.533 5.967 1.00 0.00 H new ATOM 0 HZ3 TRP A 114 -0.730 0.748 3.289 1.00 0.00 H new ATOM 0 HH2 TRP A 114 -0.145 -0.472 5.345 1.00 0.00 H new ATOM 1762 N GLU A 115 -6.606 -1.115 -0.984 1.00 0.00 N ATOM 1763 CA GLU A 115 -6.870 -0.459 -2.259 1.00 0.00 C ATOM 1764 C GLU A 115 -7.841 0.705 -2.081 1.00 0.00 C ATOM 1765 O GLU A 115 -7.615 1.801 -2.594 1.00 0.00 O ATOM 1766 CB GLU A 115 -7.438 -1.461 -3.266 1.00 0.00 C ATOM 1767 CG GLU A 115 -7.199 -1.070 -4.715 1.00 0.00 C ATOM 1768 CD GLU A 115 -8.122 0.039 -5.180 1.00 0.00 C ATOM 1769 OE1 GLU A 115 -9.322 -0.237 -5.388 1.00 0.00 O ATOM 1770 OE2 GLU A 115 -7.645 1.182 -5.336 1.00 0.00 O ATOM 0 H GLU A 115 -6.816 -2.113 -0.971 1.00 0.00 H new ATOM 0 HA GLU A 115 -5.926 -0.068 -2.639 1.00 0.00 H new ATOM 0 HB2 GLU A 115 -6.992 -2.439 -3.084 1.00 0.00 H new ATOM 0 HB3 GLU A 115 -8.510 -1.564 -3.098 1.00 0.00 H new ATOM 0 HG2 GLU A 115 -6.164 -0.750 -4.835 1.00 0.00 H new ATOM 0 HG3 GLU A 115 -7.338 -1.944 -5.351 1.00 0.00 H new ATOM 1777 N LYS A 116 -8.923 0.459 -1.350 1.00 0.00 N ATOM 1778 CA LYS A 116 -9.929 1.484 -1.103 1.00 0.00 C ATOM 1779 C LYS A 116 -9.325 2.672 -0.360 1.00 0.00 C ATOM 1780 O LYS A 116 -9.700 3.820 -0.596 1.00 0.00 O ATOM 1781 CB LYS A 116 -11.092 0.903 -0.296 1.00 0.00 C ATOM 1782 CG LYS A 116 -12.135 0.202 -1.150 1.00 0.00 C ATOM 1783 CD LYS A 116 -13.375 -0.143 -0.343 1.00 0.00 C ATOM 1784 CE LYS A 116 -14.488 -0.677 -1.233 1.00 0.00 C ATOM 1785 NZ LYS A 116 -15.179 0.415 -1.972 1.00 0.00 N ATOM 0 H LYS A 116 -9.125 -0.443 -0.918 1.00 0.00 H new ATOM 0 HA LYS A 116 -10.301 1.831 -2.067 1.00 0.00 H new ATOM 0 HB2 LYS A 116 -10.699 0.197 0.435 1.00 0.00 H new ATOM 0 HB3 LYS A 116 -11.572 1.706 0.263 1.00 0.00 H new ATOM 0 HG2 LYS A 116 -12.411 0.843 -1.988 1.00 0.00 H new ATOM 0 HG3 LYS A 116 -11.709 -0.708 -1.572 1.00 0.00 H new ATOM 0 HD2 LYS A 116 -13.123 -0.887 0.413 1.00 0.00 H new ATOM 0 HD3 LYS A 116 -13.724 0.743 0.186 1.00 0.00 H new ATOM 0 HE2 LYS A 116 -14.073 -1.391 -1.944 1.00 0.00 H new ATOM 0 HE3 LYS A 116 -15.212 -1.218 -0.624 1.00 0.00 H new ATOM 0 HZ1 LYS A 116 -15.941 0.012 -2.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 116 -15.582 1.092 -1.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 116 -14.497 0.905 -2.586 1.00 0.00 H new ATOM 1799 N ALA A 117 -8.387 2.387 0.537 1.00 0.00 N ATOM 1800 CA ALA A 117 -7.728 3.432 1.312 1.00 0.00 C ATOM 1801 C ALA A 117 -6.716 4.191 0.460 1.00 0.00 C ATOM 1802 O ALA A 117 -6.871 5.388 0.215 1.00 0.00 O ATOM 1803 CB ALA A 117 -7.049 2.834 2.535 1.00 0.00 C ATOM 0 H ALA A 117 -8.066 1.441 0.745 1.00 0.00 H new ATOM 0 HA ALA A 117 -8.489 4.139 1.643 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.561 3.626 3.104 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -7.794 2.343 3.161 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -6.304 2.104 2.217 1.00 0.00 H new ATOM 1809 N ILE A 118 -5.681 3.488 0.013 1.00 0.00 N ATOM 1810 CA ILE A 118 -4.644 4.096 -0.811 1.00 0.00 C ATOM 1811 C ILE A 118 -5.252 4.944 -1.923 1.00 0.00 C ATOM 1812 O ILE A 118 -4.740 6.013 -2.254 1.00 0.00 O ATOM 1813 CB ILE A 118 -3.725 3.031 -1.437 1.00 0.00 C ATOM 1814 CG1 ILE A 118 -2.932 2.306 -0.348 1.00 0.00 C ATOM 1815 CG2 ILE A 118 -2.785 3.670 -2.448 1.00 0.00 C ATOM 1816 CD1 ILE A 118 -2.428 0.944 -0.772 1.00 0.00 C ATOM 0 H ILE A 118 -5.538 2.497 0.208 1.00 0.00 H new ATOM 0 HA ILE A 118 -4.052 4.733 -0.154 1.00 0.00 H new ATOM 0 HB ILE A 118 -4.343 2.300 -1.957 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -2.083 2.924 -0.056 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -3.562 2.193 0.534 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -2.142 2.904 -2.882 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -3.368 4.144 -3.238 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -2.171 4.420 -1.950 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -1.875 0.489 0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -3.274 0.309 -1.036 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -1.772 1.052 -1.636 1.00 0.00 H new ATOM 1828 N ARG A 119 -6.349 4.460 -2.496 1.00 0.00 N ATOM 1829 CA ARG A 119 -7.029 5.173 -3.571 1.00 0.00 C ATOM 1830 C ARG A 119 -7.786 6.381 -3.028 1.00 0.00 C ATOM 1831 O ARG A 119 -7.775 7.454 -3.630 1.00 0.00 O ATOM 1832 CB ARG A 119 -7.994 4.238 -4.301 1.00 0.00 C ATOM 1833 CG ARG A 119 -8.566 4.830 -5.579 1.00 0.00 C ATOM 1834 CD ARG A 119 -9.956 4.288 -5.872 1.00 0.00 C ATOM 1835 NE ARG A 119 -9.910 3.068 -6.674 1.00 0.00 N ATOM 1836 CZ ARG A 119 -9.723 3.060 -7.989 1.00 0.00 C ATOM 1837 NH1 ARG A 119 -9.565 4.200 -8.647 1.00 0.00 N ATOM 1838 NH2 ARG A 119 -9.694 1.909 -8.649 1.00 0.00 N ATOM 0 H ARG A 119 -6.786 3.577 -2.234 1.00 0.00 H new ATOM 0 HA ARG A 119 -6.274 5.525 -4.274 1.00 0.00 H new ATOM 0 HB2 ARG A 119 -7.475 3.310 -4.541 1.00 0.00 H new ATOM 0 HB3 ARG A 119 -8.814 3.981 -3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 119 -8.609 5.916 -5.491 1.00 0.00 H new ATOM 0 HG3 ARG A 119 -7.903 4.604 -6.414 1.00 0.00 H new ATOM 0 HD2 ARG A 119 -10.471 4.085 -4.933 1.00 0.00 H new ATOM 0 HD3 ARG A 119 -10.537 5.046 -6.398 1.00 0.00 H new ATOM 0 HE ARG A 119 -10.028 2.173 -6.198 1.00 0.00 H new ATOM 0 HH11 ARG A 119 -9.587 5.087 -8.143 1.00 0.00 H new ATOM 0 HH12 ARG A 119 -9.422 4.190 -9.657 1.00 0.00 H new ATOM 0 HH21 ARG A 119 -9.815 1.030 -8.146 1.00 0.00 H new ATOM 0 HH22 ARG A 119 -9.550 1.904 -9.659 1.00 0.00 H new ATOM 1852 N GLN A 120 -8.444 6.197 -1.887 1.00 0.00 N ATOM 1853 CA GLN A 120 -9.207 7.272 -1.264 1.00 0.00 C ATOM 1854 C GLN A 120 -8.296 8.428 -0.868 1.00 0.00 C ATOM 1855 O GLN A 120 -8.496 9.564 -1.297 1.00 0.00 O ATOM 1856 CB GLN A 120 -9.953 6.750 -0.035 1.00 0.00 C ATOM 1857 CG GLN A 120 -10.642 7.841 0.768 1.00 0.00 C ATOM 1858 CD GLN A 120 -10.809 7.474 2.229 1.00 0.00 C ATOM 1859 OE1 GLN A 120 -10.342 8.187 3.118 1.00 0.00 O ATOM 1860 NE2 GLN A 120 -11.478 6.356 2.486 1.00 0.00 N ATOM 0 H GLN A 120 -8.464 5.314 -1.376 1.00 0.00 H new ATOM 0 HA GLN A 120 -9.931 7.638 -1.992 1.00 0.00 H new ATOM 0 HB2 GLN A 120 -10.697 6.021 -0.355 1.00 0.00 H new ATOM 0 HB3 GLN A 120 -9.249 6.225 0.611 1.00 0.00 H new ATOM 0 HG2 GLN A 120 -10.064 8.762 0.693 1.00 0.00 H new ATOM 0 HG3 GLN A 120 -11.621 8.043 0.334 1.00 0.00 H new ATOM 0 HE21 GLN A 120 -11.848 5.795 1.719 1.00 0.00 H new ATOM 0 HE22 GLN A 120 -11.622 6.058 3.451 1.00 0.00 H new ATOM 1869 N ALA A 121 -7.294 8.131 -0.046 1.00 0.00 N ATOM 1870 CA ALA A 121 -6.351 9.146 0.407 1.00 0.00 C ATOM 1871 C ALA A 121 -6.087 10.177 -0.686 1.00 0.00 C ATOM 1872 O ALA A 121 -6.118 11.383 -0.436 1.00 0.00 O ATOM 1873 CB ALA A 121 -5.048 8.496 0.848 1.00 0.00 C ATOM 0 H ALA A 121 -7.115 7.196 0.319 1.00 0.00 H new ATOM 0 HA ALA A 121 -6.793 9.663 1.259 1.00 0.00 H new ATOM 0 HB1 ALA A 121 -4.353 9.266 1.184 1.00 0.00 H new ATOM 0 HB2 ALA A 121 -5.246 7.803 1.666 1.00 0.00 H new ATOM 0 HB3 ALA A 121 -4.611 7.953 0.010 1.00 0.00 H new ATOM 1879 N LEU A 122 -5.827 9.695 -1.896 1.00 0.00 N ATOM 1880 CA LEU A 122 -5.556 10.575 -3.028 1.00 0.00 C ATOM 1881 C LEU A 122 -6.701 11.561 -3.237 1.00 0.00 C ATOM 1882 O LEU A 122 -6.477 12.751 -3.456 1.00 0.00 O ATOM 1883 CB LEU A 122 -5.338 9.753 -4.298 1.00 0.00 C ATOM 1884 CG LEU A 122 -3.897 9.329 -4.585 1.00 0.00 C ATOM 1885 CD1 LEU A 122 -3.455 8.247 -3.611 1.00 0.00 C ATOM 1886 CD2 LEU A 122 -3.758 8.846 -6.021 1.00 0.00 C ATOM 0 H LEU A 122 -5.798 8.700 -2.119 1.00 0.00 H new ATOM 0 HA LEU A 122 -4.650 11.140 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 122 -5.954 8.856 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 122 -5.701 10.331 -5.148 1.00 0.00 H new ATOM 0 HG LEU A 122 -3.250 10.196 -4.451 1.00 0.00 H new ATOM 0 HD11 LEU A 122 -2.427 7.958 -3.830 1.00 0.00 H new ATOM 0 HD12 LEU A 122 -3.515 8.628 -2.592 1.00 0.00 H new ATOM 0 HD13 LEU A 122 -4.106 7.378 -3.712 1.00 0.00 H new ATOM 0 HD21 LEU A 122 -2.726 8.549 -6.207 1.00 0.00 H new ATOM 0 HD22 LEU A 122 -4.416 7.993 -6.183 1.00 0.00 H new ATOM 0 HD23 LEU A 122 -4.032 9.650 -6.704 1.00 0.00 H new