USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 956 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 102 GLN : amide:sc= 0.574 K(o=1.1,f=-7.3!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.542 USER MOD Set 2.1: A 60 SER OG : rot 180:sc= -0.0229 USER MOD Set 2.2: A 63 HIS : no HD1:sc= -2.15 K(o=-2.6,f=-5.9!) USER MOD Set 2.3: A 83 ASN : amide:sc= -0.432 K(o=-2.6,f=-6.8) USER MOD Set 3.1: A 55 CYS SG : rot 160:sc=-0.00205 USER MOD Set 3.2: A 58 MET CE :methyl -122:sc= -0.075 (180deg=-0.594) USER MOD Set 4.1: A 39 THR OG1 : rot -160:sc= -0.0823 USER MOD Set 4.2: A 47 THR OG1 : rot 177:sc= 0 USER MOD Single : A 17 SER OG : rot 29:sc= 0.00672 USER MOD Single : A 19 CYS SG : rot -40:sc= 0.0337 USER MOD Single : A 25 MET CE :methyl -154:sc= -1.61 (180deg=-3.06!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 159:sc= 1.07 USER MOD Single : A 48 TYR OH : rot -151:sc= 0.206 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.48) USER MOD Single : A 52 SER OG : rot 81:sc= -1.49 USER MOD Single : A 53 LYS NZ :NH3+ -167:sc= 0 (180deg=-0.113) USER MOD Single : A 62 ASN : amide:sc= -0.0242 X(o=-0.024,f=0) USER MOD Single : A 64 CYS SG : rot 170:sc= -0.924 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.0936 K(o=-0.094,f=-4.9!) USER MOD Single : A 69 ASN : amide:sc= -1.12 K(o=-1.1,f=-9.9!) USER MOD Single : A 73 GLN : amide:sc= 0 K(o=0,f=-0.96) USER MOD Single : A 75 THR OG1 : rot -12:sc= 0.261 USER MOD Single : A 77 MET CE :methyl 180:sc= -0.239 (180deg=-0.239) USER MOD Single : A 79 ASN : amide:sc= -0.0197 K(o=-0.02,f=-1.1) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0567 USER MOD Single : A 88 ASN : amide:sc= -0.0997 K(o=-0.1,f=-4!) USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.137 USER MOD Single : A 101 HIS : no HD1:sc= -0.0342 X(o=-0.034,f=-0.11) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN : amide:sc= -0.168 K(o=-0.17,f=-0.8) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 THR OG1 : rot 180:sc= 0 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 CYS SG : rot 180:sc= 0 USER MOD Single : A 137 SER OG : rot -121:sc= -0.104 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot -155:sc= 0.112 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.305 -18.264 -10.497 1.00 0.00 N ATOM 157 CA GLY A 15 6.868 -18.228 -10.300 1.00 0.00 C ATOM 158 C GLY A 15 6.313 -16.818 -10.337 1.00 0.00 C ATOM 159 O GLY A 15 7.069 -15.846 -10.355 1.00 0.00 O ATOM 0 HA2 GLY A 15 6.383 -18.826 -11.072 1.00 0.00 H new ATOM 0 HA3 GLY A 15 6.624 -18.686 -9.341 1.00 0.00 H new ATOM 163 N ARG A 16 4.989 -16.705 -10.350 1.00 0.00 N ATOM 164 CA ARG A 16 4.334 -15.403 -10.389 1.00 0.00 C ATOM 165 C ARG A 16 4.560 -14.642 -9.086 1.00 0.00 C ATOM 166 O ARG A 16 4.869 -15.236 -8.053 1.00 0.00 O ATOM 167 CB ARG A 16 2.834 -15.570 -10.640 1.00 0.00 C ATOM 168 CG ARG A 16 2.424 -15.299 -12.078 1.00 0.00 C ATOM 169 CD ARG A 16 1.387 -16.302 -12.560 1.00 0.00 C ATOM 170 NE ARG A 16 1.327 -16.368 -14.018 1.00 0.00 N ATOM 171 CZ ARG A 16 0.763 -15.432 -14.773 1.00 0.00 C ATOM 172 NH1 ARG A 16 0.215 -14.363 -14.211 1.00 0.00 N ATOM 173 NH2 ARG A 16 0.747 -15.563 -16.094 1.00 0.00 N ATOM 0 H ARG A 16 4.349 -17.499 -10.334 1.00 0.00 H new ATOM 0 HA ARG A 16 4.771 -14.829 -11.206 1.00 0.00 H new ATOM 0 HB2 ARG A 16 2.540 -16.585 -10.372 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.287 -14.895 -9.982 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.020 -14.290 -12.158 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.302 -15.344 -12.722 1.00 0.00 H new ATOM 0 HD2 ARG A 16 1.624 -17.289 -12.162 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.407 -16.027 -12.169 1.00 0.00 H new ATOM 0 HE ARG A 16 1.741 -17.177 -14.482 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.226 -14.258 -13.196 1.00 0.00 H new ATOM 0 HH12 ARG A 16 -0.217 -13.646 -14.793 1.00 0.00 H new ATOM 0 HH21 ARG A 16 1.168 -16.383 -16.530 1.00 0.00 H new ATOM 0 HH22 ARG A 16 0.314 -14.843 -16.673 1.00 0.00 H new ATOM 187 N SER A 17 4.405 -13.323 -9.142 1.00 0.00 N ATOM 188 CA SER A 17 4.597 -12.479 -7.968 1.00 0.00 C ATOM 189 C SER A 17 3.645 -11.287 -7.994 1.00 0.00 C ATOM 190 O SER A 17 3.776 -10.392 -8.829 1.00 0.00 O ATOM 191 CB SER A 17 6.044 -11.989 -7.897 1.00 0.00 C ATOM 192 OG SER A 17 6.838 -12.856 -7.105 1.00 0.00 O ATOM 0 H SER A 17 4.147 -12.815 -9.988 1.00 0.00 H new ATOM 0 HA SER A 17 4.379 -13.076 -7.082 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.460 -11.927 -8.903 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.070 -10.983 -7.479 1.00 0.00 H new ATOM 0 HG SER A 17 6.475 -13.765 -7.151 1.00 0.00 H new ATOM 198 N TRP A 18 2.687 -11.284 -7.074 1.00 0.00 N ATOM 199 CA TRP A 18 1.712 -10.202 -6.991 1.00 0.00 C ATOM 200 C TRP A 18 2.406 -8.846 -6.939 1.00 0.00 C ATOM 201 O TRP A 18 3.615 -8.765 -6.718 1.00 0.00 O ATOM 202 CB TRP A 18 0.825 -10.382 -5.757 1.00 0.00 C ATOM 203 CG TRP A 18 -0.163 -11.501 -5.894 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.022 -12.806 -5.536 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.488 -11.413 -6.428 1.00 0.00 C ATOM 206 NE1 TRP A 18 -1.109 -13.535 -5.816 1.00 0.00 N ATOM 207 CE2 TRP A 18 -2.050 -12.703 -6.363 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.256 -10.370 -6.954 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.342 -12.976 -6.804 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.538 -10.642 -7.392 1.00 0.00 C ATOM 211 CH2 TRP A 18 -4.071 -11.936 -7.314 1.00 0.00 C ATOM 0 H TRP A 18 2.564 -12.017 -6.376 1.00 0.00 H new ATOM 0 HA TRP A 18 1.091 -10.237 -7.886 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.457 -10.569 -4.888 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.287 -9.453 -5.566 1.00 0.00 H new ATOM 0 HD1 TRP A 18 0.924 -13.206 -5.097 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -1.228 -14.533 -5.644 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.854 -9.369 -7.017 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.754 -13.973 -6.746 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.140 -9.844 -7.801 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -5.077 -12.116 -7.663 1.00 0.00 H new ATOM 222 N CYS A 19 1.636 -7.784 -7.145 1.00 0.00 N ATOM 223 CA CYS A 19 2.179 -6.430 -7.122 1.00 0.00 C ATOM 224 C CYS A 19 1.061 -5.395 -7.200 1.00 0.00 C ATOM 225 O CYS A 19 -0.120 -5.742 -7.232 1.00 0.00 O ATOM 226 CB CYS A 19 3.156 -6.231 -8.281 1.00 0.00 C ATOM 227 SG CYS A 19 2.368 -6.146 -9.906 1.00 0.00 S ATOM 0 H CYS A 19 0.634 -7.834 -7.330 1.00 0.00 H new ATOM 0 HA CYS A 19 2.711 -6.294 -6.180 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.719 -5.313 -8.114 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.875 -7.050 -8.280 1.00 0.00 H new ATOM 0 HG CYS A 19 1.415 -7.028 -9.973 1.00 0.00 H new ATOM 233 N LEU A 20 1.441 -4.122 -7.229 1.00 0.00 N ATOM 234 CA LEU A 20 0.471 -3.035 -7.302 1.00 0.00 C ATOM 235 C LEU A 20 0.714 -2.170 -8.534 1.00 0.00 C ATOM 236 O LEU A 20 1.221 -1.053 -8.430 1.00 0.00 O ATOM 237 CB LEU A 20 0.544 -2.176 -6.038 1.00 0.00 C ATOM 238 CG LEU A 20 0.139 -2.864 -4.734 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.429 -1.963 -3.543 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.333 -3.248 -4.769 1.00 0.00 C ATOM 0 H LEU A 20 2.414 -3.817 -7.203 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.524 -3.473 -7.380 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.565 -1.810 -5.930 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.094 -1.304 -6.178 1.00 0.00 H new ATOM 0 HG LEU A 20 0.729 -3.774 -4.627 1.00 0.00 H new ATOM 0 HD11 LEU A 20 0.134 -2.469 -2.624 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.495 -1.738 -3.508 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.134 -1.035 -3.643 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.604 -3.736 -3.833 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.940 -2.352 -4.900 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.511 -3.931 -5.600 1.00 0.00 H new ATOM 252 N ARG A 21 0.347 -2.693 -9.699 1.00 0.00 N ATOM 253 CA ARG A 21 0.524 -1.967 -10.952 1.00 0.00 C ATOM 254 C ARG A 21 -0.079 -0.569 -10.860 1.00 0.00 C ATOM 255 O ARG A 21 -1.296 -0.412 -10.755 1.00 0.00 O ATOM 256 CB ARG A 21 -0.120 -2.737 -12.107 1.00 0.00 C ATOM 257 CG ARG A 21 0.540 -2.480 -13.452 1.00 0.00 C ATOM 258 CD ARG A 21 -0.410 -2.774 -14.603 1.00 0.00 C ATOM 259 NE ARG A 21 -1.257 -1.627 -14.919 1.00 0.00 N ATOM 260 CZ ARG A 21 -0.837 -0.569 -15.604 1.00 0.00 C ATOM 261 NH1 ARG A 21 0.413 -0.513 -16.043 1.00 0.00 N ATOM 262 NH2 ARG A 21 -1.668 0.435 -15.852 1.00 0.00 N ATOM 0 H ARG A 21 -0.075 -3.616 -9.802 1.00 0.00 H new ATOM 0 HA ARG A 21 1.593 -1.871 -11.140 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -0.078 -3.804 -11.889 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.174 -2.466 -12.171 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.868 -1.442 -13.505 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.431 -3.101 -13.546 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.165 -3.054 -15.485 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -1.037 -3.628 -14.347 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.224 -1.639 -14.596 1.00 0.00 H new ATOM 0 HH11 ARG A 21 1.055 -1.283 -15.855 1.00 0.00 H new ATOM 0 HH12 ARG A 21 0.733 0.300 -16.569 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -2.630 0.395 -15.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.344 1.247 -16.378 1.00 0.00 H new ATOM 276 N ARG A 22 0.780 0.444 -10.900 1.00 0.00 N ATOM 277 CA ARG A 22 0.333 1.829 -10.819 1.00 0.00 C ATOM 278 C ARG A 22 -0.675 2.140 -11.922 1.00 0.00 C ATOM 279 O ARG A 22 -0.394 1.952 -13.106 1.00 0.00 O ATOM 280 CB ARG A 22 1.527 2.780 -10.922 1.00 0.00 C ATOM 281 CG ARG A 22 1.149 4.248 -10.807 1.00 0.00 C ATOM 282 CD ARG A 22 1.137 4.709 -9.358 1.00 0.00 C ATOM 283 NE ARG A 22 1.610 6.083 -9.217 1.00 0.00 N ATOM 284 CZ ARG A 22 2.894 6.420 -9.188 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.830 5.486 -9.289 1.00 0.00 N ATOM 286 NH2 ARG A 22 3.245 7.693 -9.057 1.00 0.00 N ATOM 0 H ARG A 22 1.790 0.331 -10.988 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.154 1.971 -9.854 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.244 2.536 -10.138 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.029 2.617 -11.875 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.855 4.852 -11.376 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.165 4.407 -11.249 1.00 0.00 H new ATOM 0 HD2 ARG A 22 0.125 4.632 -8.961 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.764 4.047 -8.762 1.00 0.00 H new ATOM 0 HE ARG A 22 0.915 6.826 -9.136 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.564 4.506 -9.389 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.816 5.747 -9.266 1.00 0.00 H new ATOM 0 HH21 ARG A 22 2.528 8.414 -8.978 1.00 0.00 H new ATOM 0 HH22 ARG A 22 4.232 7.950 -9.035 1.00 0.00 H new ATOM 300 N VAL A 23 -1.851 2.617 -11.525 1.00 0.00 N ATOM 301 CA VAL A 23 -2.900 2.955 -12.479 1.00 0.00 C ATOM 302 C VAL A 23 -2.497 4.146 -13.341 1.00 0.00 C ATOM 303 O VAL A 23 -2.179 5.218 -12.828 1.00 0.00 O ATOM 304 CB VAL A 23 -4.226 3.277 -11.764 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.293 3.675 -12.773 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.684 2.090 -10.931 1.00 0.00 C ATOM 0 H VAL A 23 -2.101 2.778 -10.549 1.00 0.00 H new ATOM 0 HA VAL A 23 -3.042 2.082 -13.116 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.062 4.120 -11.093 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.223 3.899 -12.250 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.964 4.557 -13.322 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.458 2.854 -13.471 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.622 2.335 -10.433 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.832 1.226 -11.579 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.926 1.857 -10.183 1.00 0.00 H new ATOM 316 N GLY A 24 -2.513 3.950 -14.656 1.00 0.00 N ATOM 317 CA GLY A 24 -2.147 5.017 -15.569 1.00 0.00 C ATOM 318 C GLY A 24 -0.646 5.152 -15.732 1.00 0.00 C ATOM 319 O GLY A 24 -0.151 6.204 -16.137 1.00 0.00 O ATOM 0 H GLY A 24 -2.773 3.072 -15.105 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.600 4.829 -16.543 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.556 5.959 -15.204 1.00 0.00 H new ATOM 323 N MET A 25 0.080 4.086 -15.414 1.00 0.00 N ATOM 324 CA MET A 25 1.534 4.090 -15.527 1.00 0.00 C ATOM 325 C MET A 25 2.087 2.669 -15.488 1.00 0.00 C ATOM 326 O MET A 25 1.704 1.867 -14.636 1.00 0.00 O ATOM 327 CB MET A 25 2.152 4.922 -14.401 1.00 0.00 C ATOM 328 CG MET A 25 2.616 6.299 -14.847 1.00 0.00 C ATOM 329 SD MET A 25 4.104 6.843 -13.986 1.00 0.00 S ATOM 330 CE MET A 25 3.672 6.460 -12.290 1.00 0.00 C ATOM 0 H MET A 25 -0.314 3.208 -15.076 1.00 0.00 H new ATOM 0 HA MET A 25 1.798 4.537 -16.486 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.421 5.036 -13.601 1.00 0.00 H new ATOM 0 HB3 MET A 25 3.000 4.380 -13.983 1.00 0.00 H new ATOM 0 HG2 MET A 25 2.807 6.284 -15.920 1.00 0.00 H new ATOM 0 HG3 MET A 25 1.817 7.021 -14.675 1.00 0.00 H new ATOM 0 HE1 MET A 25 4.225 7.115 -11.617 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.602 6.610 -12.144 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.925 5.422 -12.076 1.00 0.00 H new ATOM 340 N SER A 26 2.990 2.364 -16.415 1.00 0.00 N ATOM 341 CA SER A 26 3.592 1.038 -16.488 1.00 0.00 C ATOM 342 C SER A 26 4.782 0.929 -15.540 1.00 0.00 C ATOM 343 O SER A 26 5.448 -0.104 -15.479 1.00 0.00 O ATOM 344 CB SER A 26 4.037 0.736 -17.920 1.00 0.00 C ATOM 345 OG SER A 26 5.084 1.602 -18.323 1.00 0.00 O ATOM 0 H SER A 26 3.320 3.017 -17.125 1.00 0.00 H new ATOM 0 HA SER A 26 2.841 0.308 -16.186 1.00 0.00 H new ATOM 0 HB2 SER A 26 4.370 -0.299 -17.990 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.190 0.844 -18.598 1.00 0.00 H new ATOM 0 HG SER A 26 5.351 1.387 -19.241 1.00 0.00 H new ATOM 351 N ALA A 27 5.043 2.003 -14.802 1.00 0.00 N ATOM 352 CA ALA A 27 6.151 2.028 -13.855 1.00 0.00 C ATOM 353 C ALA A 27 5.644 2.119 -12.420 1.00 0.00 C ATOM 354 O ALA A 27 4.438 2.144 -12.177 1.00 0.00 O ATOM 355 CB ALA A 27 7.082 3.192 -14.163 1.00 0.00 C ATOM 0 H ALA A 27 4.502 2.867 -14.842 1.00 0.00 H new ATOM 0 HA ALA A 27 6.706 1.096 -13.958 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.905 3.199 -13.448 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.479 3.083 -15.172 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.530 4.129 -14.089 1.00 0.00 H new ATOM 361 N GLY A 28 6.574 2.167 -11.470 1.00 0.00 N ATOM 362 CA GLY A 28 6.201 2.254 -10.071 1.00 0.00 C ATOM 363 C GLY A 28 5.375 1.067 -9.616 1.00 0.00 C ATOM 364 O GLY A 28 4.387 1.228 -8.899 1.00 0.00 O ATOM 0 H GLY A 28 7.579 2.147 -11.645 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.102 2.321 -9.461 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.636 3.171 -9.905 1.00 0.00 H new ATOM 368 N TRP A 29 5.777 -0.127 -10.036 1.00 0.00 N ATOM 369 CA TRP A 29 5.065 -1.346 -9.668 1.00 0.00 C ATOM 370 C TRP A 29 5.586 -1.904 -8.349 1.00 0.00 C ATOM 371 O TRP A 29 6.700 -2.425 -8.281 1.00 0.00 O ATOM 372 CB TRP A 29 5.206 -2.395 -10.772 1.00 0.00 C ATOM 373 CG TRP A 29 4.535 -2.003 -12.054 1.00 0.00 C ATOM 374 CD1 TRP A 29 3.913 -0.818 -12.324 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.419 -2.799 -13.238 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.416 -0.829 -13.605 1.00 0.00 N ATOM 377 CE2 TRP A 29 3.714 -2.032 -14.187 1.00 0.00 C ATOM 378 CE3 TRP A 29 4.842 -4.083 -13.590 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.425 -2.510 -15.463 1.00 0.00 C ATOM 380 CZ3 TRP A 29 4.554 -4.556 -14.856 1.00 0.00 C ATOM 381 CH2 TRP A 29 3.851 -3.771 -15.780 1.00 0.00 C ATOM 0 H TRP A 29 6.592 -0.277 -10.631 1.00 0.00 H new ATOM 0 HA TRP A 29 4.011 -1.099 -9.544 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.265 -2.570 -10.963 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.785 -3.338 -10.423 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.825 0.007 -11.632 1.00 0.00 H new ATOM 0 HE1 TRP A 29 2.908 -0.065 -14.050 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.385 -4.695 -12.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 2.884 -1.907 -16.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 4.876 -5.547 -15.138 1.00 0.00 H new ATOM 0 HH2 TRP A 29 3.641 -4.169 -16.762 1.00 0.00 H new ATOM 392 N LEU A 30 4.775 -1.793 -7.303 1.00 0.00 N ATOM 393 CA LEU A 30 5.155 -2.288 -5.984 1.00 0.00 C ATOM 394 C LEU A 30 5.085 -3.811 -5.933 1.00 0.00 C ATOM 395 O LEU A 30 4.008 -4.398 -6.042 1.00 0.00 O ATOM 396 CB LEU A 30 4.244 -1.689 -4.911 1.00 0.00 C ATOM 397 CG LEU A 30 3.882 -0.214 -5.086 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.907 0.228 -4.006 1.00 0.00 C ATOM 399 CD2 LEU A 30 5.135 0.650 -5.061 1.00 0.00 C ATOM 0 H LEU A 30 3.850 -1.365 -7.342 1.00 0.00 H new ATOM 0 HA LEU A 30 6.183 -1.983 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.321 -2.268 -4.882 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.728 -1.811 -3.942 1.00 0.00 H new ATOM 0 HG LEU A 30 3.399 -0.091 -6.056 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.661 1.280 -4.147 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.997 -0.369 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 30 3.363 0.090 -3.026 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.858 1.697 -5.187 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.646 0.522 -4.107 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.800 0.351 -5.871 1.00 0.00 H new ATOM 411 N LEU A 31 6.240 -4.446 -5.765 1.00 0.00 N ATOM 412 CA LEU A 31 6.311 -5.901 -5.697 1.00 0.00 C ATOM 413 C LEU A 31 5.700 -6.416 -4.397 1.00 0.00 C ATOM 414 O LEU A 31 5.919 -5.846 -3.327 1.00 0.00 O ATOM 415 CB LEU A 31 7.764 -6.367 -5.810 1.00 0.00 C ATOM 416 CG LEU A 31 8.006 -7.863 -5.612 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.646 -8.634 -6.873 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.454 -8.122 -5.222 1.00 0.00 C ATOM 0 H LEU A 31 7.140 -3.976 -5.673 1.00 0.00 H new ATOM 0 HA LEU A 31 5.740 -6.307 -6.532 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.139 -6.086 -6.794 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.357 -5.823 -5.075 1.00 0.00 H new ATOM 0 HG LEU A 31 7.364 -8.211 -4.802 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.825 -9.697 -6.713 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.594 -8.475 -7.109 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.261 -8.283 -7.702 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.608 -9.192 -5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.114 -7.758 -6.010 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.679 -7.601 -4.291 1.00 0.00 H new ATOM 430 N LEU A 32 4.935 -7.497 -4.497 1.00 0.00 N ATOM 431 CA LEU A 32 4.294 -8.091 -3.329 1.00 0.00 C ATOM 432 C LEU A 32 4.793 -9.513 -3.098 1.00 0.00 C ATOM 433 O LEU A 32 4.058 -10.479 -3.299 1.00 0.00 O ATOM 434 CB LEU A 32 2.774 -8.094 -3.503 1.00 0.00 C ATOM 435 CG LEU A 32 2.088 -6.729 -3.435 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.641 -6.836 -3.893 1.00 0.00 C ATOM 437 CD2 LEU A 32 2.162 -6.165 -2.023 1.00 0.00 C ATOM 0 H LEU A 32 4.743 -7.980 -5.375 1.00 0.00 H new ATOM 0 HA LEU A 32 4.553 -7.489 -2.458 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.539 -8.549 -4.465 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.342 -8.734 -2.734 1.00 0.00 H new ATOM 0 HG LEU A 32 2.611 -6.047 -4.105 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.168 -5.855 -3.838 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.611 -7.196 -4.921 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.106 -7.533 -3.248 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.669 -5.193 -1.993 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.664 -6.846 -1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.206 -6.051 -1.731 1.00 0.00 H new ATOM 449 N GLU A 33 6.047 -9.633 -2.673 1.00 0.00 N ATOM 450 CA GLU A 33 6.644 -10.938 -2.413 1.00 0.00 C ATOM 451 C GLU A 33 5.831 -11.712 -1.379 1.00 0.00 C ATOM 452 O GLU A 33 5.459 -11.173 -0.336 1.00 0.00 O ATOM 453 CB GLU A 33 8.086 -10.776 -1.927 1.00 0.00 C ATOM 454 CG GLU A 33 9.122 -11.283 -2.916 1.00 0.00 C ATOM 455 CD GLU A 33 10.537 -11.190 -2.378 1.00 0.00 C ATOM 456 OE1 GLU A 33 10.695 -10.967 -1.160 1.00 0.00 O ATOM 457 OE2 GLU A 33 11.485 -11.340 -3.176 1.00 0.00 O ATOM 0 H GLU A 33 6.669 -8.843 -2.502 1.00 0.00 H new ATOM 0 HA GLU A 33 6.644 -11.502 -3.346 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.276 -9.722 -1.723 1.00 0.00 H new ATOM 0 HB3 GLU A 33 8.205 -11.309 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.901 -12.320 -3.169 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.050 -10.708 -3.839 1.00 0.00 H new ATOM 464 N ASP A 34 5.558 -12.977 -1.677 1.00 0.00 N ATOM 465 CA ASP A 34 4.789 -13.827 -0.775 1.00 0.00 C ATOM 466 C ASP A 34 5.491 -13.963 0.573 1.00 0.00 C ATOM 467 O ASP A 34 6.605 -14.479 0.654 1.00 0.00 O ATOM 468 CB ASP A 34 4.578 -15.208 -1.396 1.00 0.00 C ATOM 469 CG ASP A 34 3.999 -16.204 -0.411 1.00 0.00 C ATOM 470 OD1 ASP A 34 4.767 -16.730 0.422 1.00 0.00 O ATOM 471 OD2 ASP A 34 2.778 -16.457 -0.471 1.00 0.00 O ATOM 0 H ASP A 34 5.858 -13.437 -2.537 1.00 0.00 H new ATOM 0 HA ASP A 34 3.818 -13.359 -0.614 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.911 -15.119 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.530 -15.584 -1.771 1.00 0.00 H new ATOM 476 N GLY A 35 4.832 -13.496 1.628 1.00 0.00 N ATOM 477 CA GLY A 35 5.409 -13.574 2.958 1.00 0.00 C ATOM 478 C GLY A 35 6.263 -12.367 3.291 1.00 0.00 C ATOM 479 O GLY A 35 7.071 -12.408 4.220 1.00 0.00 O ATOM 0 H GLY A 35 3.909 -13.065 1.586 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.609 -13.663 3.693 1.00 0.00 H new ATOM 0 HA3 GLY A 35 6.015 -14.477 3.035 1.00 0.00 H new ATOM 483 N CYS A 36 6.086 -11.292 2.532 1.00 0.00 N ATOM 484 CA CYS A 36 6.849 -10.068 2.750 1.00 0.00 C ATOM 485 C CYS A 36 5.920 -8.878 2.965 1.00 0.00 C ATOM 486 O CYS A 36 5.159 -8.505 2.073 1.00 0.00 O ATOM 487 CB CYS A 36 7.774 -9.800 1.561 1.00 0.00 C ATOM 488 SG CYS A 36 9.350 -10.682 1.639 1.00 0.00 S ATOM 0 H CYS A 36 5.421 -11.243 1.760 1.00 0.00 H new ATOM 0 HA CYS A 36 7.452 -10.201 3.648 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.258 -10.080 0.643 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.971 -8.730 1.502 1.00 0.00 H new ATOM 0 HG CYS A 36 9.858 -10.770 0.445 1.00 0.00 H new ATOM 494 N GLU A 37 5.986 -8.289 4.155 1.00 0.00 N ATOM 495 CA GLU A 37 5.148 -7.144 4.488 1.00 0.00 C ATOM 496 C GLU A 37 5.467 -5.956 3.584 1.00 0.00 C ATOM 497 O GLU A 37 6.631 -5.609 3.383 1.00 0.00 O ATOM 498 CB GLU A 37 5.342 -6.750 5.953 1.00 0.00 C ATOM 499 CG GLU A 37 4.075 -6.239 6.619 1.00 0.00 C ATOM 500 CD GLU A 37 4.361 -5.383 7.838 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.401 -4.693 7.847 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.545 -5.404 8.783 1.00 0.00 O ATOM 0 H GLU A 37 6.611 -8.586 4.904 1.00 0.00 H new ATOM 0 HA GLU A 37 4.108 -7.430 4.331 1.00 0.00 H new ATOM 0 HB2 GLU A 37 5.711 -7.613 6.507 1.00 0.00 H new ATOM 0 HB3 GLU A 37 6.111 -5.980 6.015 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.499 -5.658 5.899 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.456 -7.087 6.912 1.00 0.00 H new ATOM 509 N VAL A 38 4.423 -5.336 3.041 1.00 0.00 N ATOM 510 CA VAL A 38 4.591 -4.187 2.160 1.00 0.00 C ATOM 511 C VAL A 38 3.908 -2.950 2.733 1.00 0.00 C ATOM 512 O VAL A 38 2.723 -2.715 2.496 1.00 0.00 O ATOM 513 CB VAL A 38 4.023 -4.469 0.756 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.223 -3.266 -0.153 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.669 -5.711 0.160 1.00 0.00 C ATOM 0 H VAL A 38 3.453 -5.611 3.196 1.00 0.00 H new ATOM 0 HA VAL A 38 5.662 -4.003 2.081 1.00 0.00 H new ATOM 0 HB VAL A 38 2.952 -4.652 0.846 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.816 -3.484 -1.140 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.709 -2.402 0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.288 -3.049 -0.240 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.256 -5.896 -0.832 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.746 -5.560 0.082 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.469 -6.569 0.802 1.00 0.00 H new ATOM 525 N THR A 39 4.664 -2.161 3.490 1.00 0.00 N ATOM 526 CA THR A 39 4.133 -0.948 4.098 1.00 0.00 C ATOM 527 C THR A 39 4.334 0.258 3.187 1.00 0.00 C ATOM 528 O THR A 39 5.458 0.570 2.793 1.00 0.00 O ATOM 529 CB THR A 39 4.795 -0.665 5.459 1.00 0.00 C ATOM 530 OG1 THR A 39 6.218 -0.601 5.308 1.00 0.00 O ATOM 531 CG2 THR A 39 4.437 -1.744 6.470 1.00 0.00 C ATOM 0 H THR A 39 5.647 -2.341 3.697 1.00 0.00 H new ATOM 0 HA THR A 39 3.066 -1.112 4.249 1.00 0.00 H new ATOM 0 HB THR A 39 4.425 0.292 5.826 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.646 -0.739 6.179 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.916 -1.522 7.424 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.356 -1.772 6.605 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.782 -2.712 6.107 1.00 0.00 H new ATOM 539 N VAL A 40 3.238 0.934 2.856 1.00 0.00 N ATOM 540 CA VAL A 40 3.295 2.107 1.993 1.00 0.00 C ATOM 541 C VAL A 40 3.004 3.381 2.778 1.00 0.00 C ATOM 542 O VAL A 40 2.242 3.368 3.744 1.00 0.00 O ATOM 543 CB VAL A 40 2.295 1.995 0.827 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.501 3.130 -0.164 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.427 0.645 0.140 1.00 0.00 C ATOM 0 H VAL A 40 2.300 0.689 3.173 1.00 0.00 H new ATOM 0 HA VAL A 40 4.307 2.155 1.590 1.00 0.00 H new ATOM 0 HB VAL A 40 1.285 2.075 1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.786 3.034 -0.981 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.351 4.085 0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.515 3.086 -0.562 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.713 0.583 -0.681 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.439 0.532 -0.250 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.224 -0.150 0.858 1.00 0.00 H new ATOM 555 N GLY A 41 3.616 4.483 2.355 1.00 0.00 N ATOM 556 CA GLY A 41 3.410 5.752 3.029 1.00 0.00 C ATOM 557 C GLY A 41 4.549 6.724 2.797 1.00 0.00 C ATOM 558 O GLY A 41 5.441 6.464 1.988 1.00 0.00 O ATOM 0 H GLY A 41 4.251 4.520 1.558 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.479 6.198 2.680 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.298 5.577 4.099 1.00 0.00 H new ATOM 562 N ARG A 42 4.520 7.848 3.506 1.00 0.00 N ATOM 563 CA ARG A 42 5.557 8.864 3.371 1.00 0.00 C ATOM 564 C ARG A 42 6.583 8.747 4.495 1.00 0.00 C ATOM 565 O ARG A 42 7.231 9.726 4.861 1.00 0.00 O ATOM 566 CB ARG A 42 4.935 10.261 3.376 1.00 0.00 C ATOM 567 CG ARG A 42 4.167 10.581 4.648 1.00 0.00 C ATOM 568 CD ARG A 42 4.110 12.079 4.903 1.00 0.00 C ATOM 569 NE ARG A 42 3.821 12.386 6.301 1.00 0.00 N ATOM 570 CZ ARG A 42 3.779 13.621 6.789 1.00 0.00 C ATOM 571 NH1 ARG A 42 4.005 14.659 5.995 1.00 0.00 N ATOM 572 NH2 ARG A 42 3.509 13.820 8.073 1.00 0.00 N ATOM 0 H ARG A 42 3.790 8.078 4.180 1.00 0.00 H new ATOM 0 HA ARG A 42 6.066 8.704 2.421 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.724 11.001 3.242 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.263 10.353 2.523 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.154 10.185 4.572 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.641 10.085 5.495 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.061 12.531 4.622 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.345 12.526 4.268 1.00 0.00 H new ATOM 0 HE ARG A 42 3.642 11.610 6.938 1.00 0.00 H new ATOM 0 HH11 ARG A 42 4.212 14.510 5.007 1.00 0.00 H new ATOM 0 HH12 ARG A 42 3.972 15.606 6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 42 3.333 13.024 8.687 1.00 0.00 H new ATOM 0 HH22 ARG A 42 3.477 14.769 8.446 1.00 0.00 H new ATOM 586 N GLY A 43 6.723 7.541 5.038 1.00 0.00 N ATOM 587 CA GLY A 43 7.670 7.319 6.115 1.00 0.00 C ATOM 588 C GLY A 43 9.060 6.991 5.606 1.00 0.00 C ATOM 589 O GLY A 43 9.291 6.941 4.398 1.00 0.00 O ATOM 0 H GLY A 43 6.198 6.715 4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 43 7.717 8.209 6.743 1.00 0.00 H new ATOM 0 HA3 GLY A 43 7.315 6.503 6.745 1.00 0.00 H new ATOM 593 N PHE A 44 9.989 6.769 6.530 1.00 0.00 N ATOM 594 CA PHE A 44 11.365 6.447 6.168 1.00 0.00 C ATOM 595 C PHE A 44 11.625 4.949 6.299 1.00 0.00 C ATOM 596 O PHE A 44 12.497 4.398 5.628 1.00 0.00 O ATOM 597 CB PHE A 44 12.342 7.225 7.052 1.00 0.00 C ATOM 598 CG PHE A 44 12.707 8.573 6.499 1.00 0.00 C ATOM 599 CD1 PHE A 44 11.943 9.689 6.798 1.00 0.00 C ATOM 600 CD2 PHE A 44 13.814 8.724 5.680 1.00 0.00 C ATOM 601 CE1 PHE A 44 12.276 10.931 6.292 1.00 0.00 C ATOM 602 CE2 PHE A 44 14.153 9.963 5.171 1.00 0.00 C ATOM 603 CZ PHE A 44 13.382 11.068 5.476 1.00 0.00 C ATOM 0 H PHE A 44 9.814 6.806 7.534 1.00 0.00 H new ATOM 0 HA PHE A 44 11.518 6.735 5.128 1.00 0.00 H new ATOM 0 HB2 PHE A 44 11.902 7.354 8.041 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.250 6.636 7.182 1.00 0.00 H new ATOM 0 HD1 PHE A 44 11.076 9.587 7.434 1.00 0.00 H new ATOM 0 HD2 PHE A 44 14.419 7.863 5.437 1.00 0.00 H new ATOM 0 HE1 PHE A 44 11.672 11.793 6.534 1.00 0.00 H new ATOM 0 HE2 PHE A 44 15.020 10.067 4.535 1.00 0.00 H new ATOM 0 HZ PHE A 44 13.644 12.037 5.077 1.00 0.00 H new ATOM 613 N GLY A 45 10.861 4.295 7.168 1.00 0.00 N ATOM 614 CA GLY A 45 11.024 2.867 7.372 1.00 0.00 C ATOM 615 C GLY A 45 10.135 2.046 6.460 1.00 0.00 C ATOM 616 O GLY A 45 10.427 0.884 6.178 1.00 0.00 O ATOM 0 H GLY A 45 10.132 4.728 7.735 1.00 0.00 H new ATOM 0 HA2 GLY A 45 12.065 2.595 7.200 1.00 0.00 H new ATOM 0 HA3 GLY A 45 10.798 2.623 8.410 1.00 0.00 H new ATOM 620 N VAL A 46 9.044 2.650 5.999 1.00 0.00 N ATOM 621 CA VAL A 46 8.109 1.966 5.113 1.00 0.00 C ATOM 622 C VAL A 46 8.829 1.362 3.914 1.00 0.00 C ATOM 623 O VAL A 46 9.782 1.940 3.391 1.00 0.00 O ATOM 624 CB VAL A 46 7.011 2.923 4.611 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.038 3.256 5.731 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.630 4.189 4.037 1.00 0.00 C ATOM 0 H VAL A 46 8.786 3.611 6.224 1.00 0.00 H new ATOM 0 HA VAL A 46 7.648 1.168 5.695 1.00 0.00 H new ATOM 0 HB VAL A 46 6.455 2.425 3.817 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.270 3.933 5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.570 2.340 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.576 3.734 6.550 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.840 4.854 3.687 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.212 4.692 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.282 3.929 3.203 1.00 0.00 H new ATOM 636 N THR A 47 8.367 0.193 3.480 1.00 0.00 N ATOM 637 CA THR A 47 8.967 -0.492 2.342 1.00 0.00 C ATOM 638 C THR A 47 8.941 0.386 1.096 1.00 0.00 C ATOM 639 O THR A 47 9.876 0.373 0.295 1.00 0.00 O ATOM 640 CB THR A 47 8.244 -1.817 2.038 1.00 0.00 C ATOM 641 OG1 THR A 47 8.188 -2.627 3.218 1.00 0.00 O ATOM 642 CG2 THR A 47 8.952 -2.578 0.927 1.00 0.00 C ATOM 0 H THR A 47 7.579 -0.299 3.900 1.00 0.00 H new ATOM 0 HA THR A 47 10.001 -0.705 2.611 1.00 0.00 H new ATOM 0 HB THR A 47 7.231 -1.585 1.709 1.00 0.00 H new ATOM 0 HG1 THR A 47 7.683 -3.445 3.029 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.423 -3.510 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.966 -1.971 0.022 1.00 0.00 H new ATOM 0 HG23 THR A 47 9.975 -2.799 1.232 1.00 0.00 H new ATOM 650 N TYR A 48 7.864 1.148 0.938 1.00 0.00 N ATOM 651 CA TYR A 48 7.715 2.031 -0.213 1.00 0.00 C ATOM 652 C TYR A 48 7.403 3.457 0.232 1.00 0.00 C ATOM 653 O TYR A 48 6.282 3.759 0.640 1.00 0.00 O ATOM 654 CB TYR A 48 6.608 1.519 -1.136 1.00 0.00 C ATOM 655 CG TYR A 48 6.937 0.203 -1.803 1.00 0.00 C ATOM 656 CD1 TYR A 48 7.658 0.164 -2.990 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.527 -1.002 -1.246 1.00 0.00 C ATOM 658 CE1 TYR A 48 7.960 -1.036 -3.603 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.826 -2.207 -1.852 1.00 0.00 C ATOM 660 CZ TYR A 48 7.542 -2.219 -3.031 1.00 0.00 C ATOM 661 OH TYR A 48 7.842 -3.417 -3.638 1.00 0.00 O ATOM 0 H TYR A 48 7.082 1.172 1.592 1.00 0.00 H new ATOM 0 HA TYR A 48 8.659 2.038 -0.758 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.690 1.405 -0.560 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.412 2.267 -1.904 1.00 0.00 H new ATOM 0 HD1 TYR A 48 7.988 1.088 -3.441 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.965 -0.997 -0.324 1.00 0.00 H new ATOM 0 HE1 TYR A 48 8.521 -1.048 -4.526 1.00 0.00 H new ATOM 0 HE2 TYR A 48 6.501 -3.135 -1.405 1.00 0.00 H new ATOM 0 HH TYR A 48 7.146 -4.074 -3.426 1.00 0.00 H new ATOM 671 N GLN A 49 8.403 4.328 0.149 1.00 0.00 N ATOM 672 CA GLN A 49 8.236 5.722 0.542 1.00 0.00 C ATOM 673 C GLN A 49 7.665 6.547 -0.606 1.00 0.00 C ATOM 674 O GLN A 49 8.116 6.438 -1.748 1.00 0.00 O ATOM 675 CB GLN A 49 9.574 6.311 0.993 1.00 0.00 C ATOM 676 CG GLN A 49 9.503 7.789 1.339 1.00 0.00 C ATOM 677 CD GLN A 49 10.770 8.296 1.998 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.850 7.734 1.810 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.647 9.364 2.778 1.00 0.00 N ATOM 0 H GLN A 49 9.337 4.093 -0.187 1.00 0.00 H new ATOM 0 HA GLN A 49 7.533 5.756 1.374 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.929 5.759 1.863 1.00 0.00 H new ATOM 0 HB3 GLN A 49 10.310 6.167 0.202 1.00 0.00 H new ATOM 0 HG2 GLN A 49 9.316 8.362 0.431 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.658 7.962 2.005 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.733 9.799 2.907 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.466 9.749 3.248 1.00 0.00 H new ATOM 688 N LEU A 50 6.672 7.373 -0.298 1.00 0.00 N ATOM 689 CA LEU A 50 6.038 8.218 -1.305 1.00 0.00 C ATOM 690 C LEU A 50 5.837 9.635 -0.778 1.00 0.00 C ATOM 691 O LEU A 50 4.976 9.879 0.068 1.00 0.00 O ATOM 692 CB LEU A 50 4.693 7.622 -1.725 1.00 0.00 C ATOM 693 CG LEU A 50 4.639 6.098 -1.836 1.00 0.00 C ATOM 694 CD1 LEU A 50 3.210 5.630 -2.060 1.00 0.00 C ATOM 695 CD2 LEU A 50 5.543 5.613 -2.960 1.00 0.00 C ATOM 0 H LEU A 50 6.288 7.476 0.641 1.00 0.00 H new ATOM 0 HA LEU A 50 6.696 8.263 -2.173 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.937 7.941 -1.007 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.416 8.047 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 50 4.997 5.671 -0.899 1.00 0.00 H new ATOM 0 HD11 LEU A 50 3.191 4.543 -2.137 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.588 5.946 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.825 6.065 -2.982 1.00 0.00 H new ATOM 0 HD21 LEU A 50 5.492 4.526 -3.025 1.00 0.00 H new ATOM 0 HD22 LEU A 50 5.215 6.048 -3.904 1.00 0.00 H new ATOM 0 HD23 LEU A 50 6.570 5.917 -2.758 1.00 0.00 H new ATOM 707 N VAL A 51 6.636 10.568 -1.286 1.00 0.00 N ATOM 708 CA VAL A 51 6.544 11.963 -0.870 1.00 0.00 C ATOM 709 C VAL A 51 6.272 12.875 -2.061 1.00 0.00 C ATOM 710 O VAL A 51 6.777 12.646 -3.160 1.00 0.00 O ATOM 711 CB VAL A 51 7.835 12.425 -0.168 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.732 13.890 0.228 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.121 11.555 1.047 1.00 0.00 C ATOM 0 H VAL A 51 7.354 10.383 -1.986 1.00 0.00 H new ATOM 0 HA VAL A 51 5.713 12.030 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 51 8.666 12.319 -0.866 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.653 14.199 0.723 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.577 14.498 -0.663 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.892 14.025 0.909 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.036 11.895 1.531 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.291 11.627 1.750 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.241 10.518 0.732 1.00 0.00 H new ATOM 723 N SER A 52 5.470 13.911 -1.834 1.00 0.00 N ATOM 724 CA SER A 52 5.127 14.857 -2.890 1.00 0.00 C ATOM 725 C SER A 52 5.505 16.279 -2.488 1.00 0.00 C ATOM 726 O SER A 52 6.014 16.513 -1.392 1.00 0.00 O ATOM 727 CB SER A 52 3.632 14.783 -3.204 1.00 0.00 C ATOM 728 OG SER A 52 2.899 15.706 -2.416 1.00 0.00 O ATOM 0 H SER A 52 5.046 14.116 -0.929 1.00 0.00 H new ATOM 0 HA SER A 52 5.692 14.588 -3.783 1.00 0.00 H new ATOM 0 HB2 SER A 52 3.468 14.992 -4.261 1.00 0.00 H new ATOM 0 HB3 SER A 52 3.268 13.772 -3.019 1.00 0.00 H new ATOM 0 HG SER A 52 2.958 16.598 -2.817 1.00 0.00 H new ATOM 734 N LYS A 53 5.252 17.227 -3.384 1.00 0.00 N ATOM 735 CA LYS A 53 5.563 18.628 -3.125 1.00 0.00 C ATOM 736 C LYS A 53 4.295 19.477 -3.130 1.00 0.00 C ATOM 737 O LYS A 53 4.218 20.498 -2.447 1.00 0.00 O ATOM 738 CB LYS A 53 6.546 19.155 -4.172 1.00 0.00 C ATOM 739 CG LYS A 53 7.879 18.426 -4.177 1.00 0.00 C ATOM 740 CD LYS A 53 8.521 18.429 -2.799 1.00 0.00 C ATOM 741 CE LYS A 53 10.024 18.216 -2.885 1.00 0.00 C ATOM 742 NZ LYS A 53 10.370 17.023 -3.707 1.00 0.00 N ATOM 0 H LYS A 53 4.832 17.050 -4.297 1.00 0.00 H new ATOM 0 HA LYS A 53 6.021 18.696 -2.138 1.00 0.00 H new ATOM 0 HB2 LYS A 53 6.092 19.071 -5.159 1.00 0.00 H new ATOM 0 HB3 LYS A 53 6.722 20.215 -3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.731 17.398 -4.509 1.00 0.00 H new ATOM 0 HG3 LYS A 53 8.551 18.899 -4.894 1.00 0.00 H new ATOM 0 HD2 LYS A 53 8.314 19.377 -2.302 1.00 0.00 H new ATOM 0 HD3 LYS A 53 8.076 17.645 -2.187 1.00 0.00 H new ATOM 0 HE2 LYS A 53 10.492 19.101 -3.315 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.432 18.096 -1.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.372 16.782 -3.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 9.776 16.219 -3.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 10.204 17.234 -4.712 1.00 0.00 H new ATOM 756 N ILE A 54 3.304 19.047 -3.904 1.00 0.00 N ATOM 757 CA ILE A 54 2.039 19.766 -3.995 1.00 0.00 C ATOM 758 C ILE A 54 1.124 19.419 -2.826 1.00 0.00 C ATOM 759 O ILE A 54 0.616 20.305 -2.137 1.00 0.00 O ATOM 760 CB ILE A 54 1.309 19.455 -5.314 1.00 0.00 C ATOM 761 CG1 ILE A 54 2.190 19.824 -6.510 1.00 0.00 C ATOM 762 CG2 ILE A 54 -0.015 20.202 -5.375 1.00 0.00 C ATOM 763 CD1 ILE A 54 2.604 21.279 -6.529 1.00 0.00 C ATOM 0 H ILE A 54 3.353 18.205 -4.477 1.00 0.00 H new ATOM 0 HA ILE A 54 2.277 20.829 -3.963 1.00 0.00 H new ATOM 0 HB ILE A 54 1.103 18.385 -5.355 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.084 19.200 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.653 19.595 -7.431 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -0.520 19.972 -6.313 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -0.645 19.895 -4.540 1.00 0.00 H new ATOM 0 HG23 ILE A 54 0.169 21.275 -5.316 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.226 21.469 -7.404 1.00 0.00 H new ATOM 0 HD12 ILE A 54 1.716 21.909 -6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 54 3.169 21.508 -5.625 1.00 0.00 H new ATOM 775 N CYS A 55 0.919 18.125 -2.606 1.00 0.00 N ATOM 776 CA CYS A 55 0.065 17.660 -1.519 1.00 0.00 C ATOM 777 C CYS A 55 0.647 16.410 -0.867 1.00 0.00 C ATOM 778 O CYS A 55 0.150 15.298 -1.046 1.00 0.00 O ATOM 779 CB CYS A 55 -1.344 17.370 -2.038 1.00 0.00 C ATOM 780 SG CYS A 55 -2.642 17.557 -0.793 1.00 0.00 S ATOM 0 H CYS A 55 1.332 17.379 -3.166 1.00 0.00 H new ATOM 0 HA CYS A 55 0.013 18.449 -0.768 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -1.557 18.038 -2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -1.374 16.353 -2.428 1.00 0.00 H new ATOM 0 HG CYS A 55 -3.790 17.715 -1.383 1.00 0.00 H new ATOM 786 N PRO A 56 1.727 16.594 -0.094 1.00 0.00 N ATOM 787 CA PRO A 56 2.402 15.493 0.600 1.00 0.00 C ATOM 788 C PRO A 56 1.562 14.924 1.738 1.00 0.00 C ATOM 789 O PRO A 56 1.746 13.777 2.146 1.00 0.00 O ATOM 790 CB PRO A 56 3.674 16.144 1.147 1.00 0.00 C ATOM 791 CG PRO A 56 3.333 17.588 1.281 1.00 0.00 C ATOM 792 CD PRO A 56 2.373 17.892 0.164 1.00 0.00 C ATOM 0 HA PRO A 56 2.591 14.649 -0.063 1.00 0.00 H new ATOM 0 HB2 PRO A 56 3.958 15.713 2.107 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.516 15.997 0.471 1.00 0.00 H new ATOM 0 HG2 PRO A 56 2.881 17.794 2.251 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.226 18.208 1.208 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.647 18.652 0.454 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.890 18.266 -0.720 1.00 0.00 H new ATOM 800 N LEU A 57 0.639 15.733 2.248 1.00 0.00 N ATOM 801 CA LEU A 57 -0.230 15.309 3.340 1.00 0.00 C ATOM 802 C LEU A 57 -1.180 14.207 2.884 1.00 0.00 C ATOM 803 O LEU A 57 -1.667 13.419 3.695 1.00 0.00 O ATOM 804 CB LEU A 57 -1.030 16.500 3.872 1.00 0.00 C ATOM 805 CG LEU A 57 -0.212 17.644 4.472 1.00 0.00 C ATOM 806 CD1 LEU A 57 -1.097 18.853 4.733 1.00 0.00 C ATOM 807 CD2 LEU A 57 0.471 17.195 5.755 1.00 0.00 C ATOM 0 H LEU A 57 0.474 16.685 1.923 1.00 0.00 H new ATOM 0 HA LEU A 57 0.398 14.914 4.139 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -1.633 16.900 3.057 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.722 16.137 4.632 1.00 0.00 H new ATOM 0 HG LEU A 57 0.557 17.930 3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.498 19.657 5.160 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.540 19.189 3.795 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.889 18.581 5.431 1.00 0.00 H new ATOM 0 HD21 LEU A 57 1.049 18.022 6.168 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.282 16.882 6.478 1.00 0.00 H new ATOM 0 HD23 LEU A 57 1.137 16.359 5.540 1.00 0.00 H new ATOM 819 N MET A 58 -1.437 14.155 1.581 1.00 0.00 N ATOM 820 CA MET A 58 -2.326 13.146 1.017 1.00 0.00 C ATOM 821 C MET A 58 -1.912 11.747 1.463 1.00 0.00 C ATOM 822 O MET A 58 -2.750 10.853 1.589 1.00 0.00 O ATOM 823 CB MET A 58 -2.323 13.230 -0.510 1.00 0.00 C ATOM 824 CG MET A 58 -3.594 12.696 -1.151 1.00 0.00 C ATOM 825 SD MET A 58 -3.942 13.461 -2.746 1.00 0.00 S ATOM 826 CE MET A 58 -4.822 14.933 -2.231 1.00 0.00 C ATOM 0 H MET A 58 -1.042 14.800 0.896 1.00 0.00 H new ATOM 0 HA MET A 58 -3.335 13.340 1.382 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.185 14.269 -0.808 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.470 12.672 -0.895 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.505 11.617 -1.281 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.435 12.867 -0.479 1.00 0.00 H new ATOM 0 HE1 MET A 58 -5.810 14.946 -2.691 1.00 0.00 H new ATOM 0 HE2 MET A 58 -4.927 14.933 -1.146 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.265 15.817 -2.542 1.00 0.00 H new ATOM 836 N ILE A 59 -0.618 11.565 1.699 1.00 0.00 N ATOM 837 CA ILE A 59 -0.095 10.275 2.131 1.00 0.00 C ATOM 838 C ILE A 59 0.543 10.375 3.512 1.00 0.00 C ATOM 839 O ILE A 59 1.281 11.317 3.800 1.00 0.00 O ATOM 840 CB ILE A 59 0.946 9.727 1.136 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.381 9.745 -0.286 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.364 8.318 1.529 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.871 8.913 -0.449 1.00 0.00 C ATOM 0 H ILE A 59 0.088 12.294 1.598 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.942 9.590 2.173 1.00 0.00 H new ATOM 0 HB ILE A 59 1.828 10.367 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.162 10.775 -0.568 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.142 9.380 -0.975 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.100 7.945 0.817 1.00 0.00 H new ATOM 0 HG22 ILE A 59 1.801 8.333 2.527 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.491 7.665 1.525 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.215 8.972 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.653 7.875 -0.198 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.648 9.291 0.215 1.00 0.00 H new ATOM 855 N SER A 60 0.255 9.396 4.364 1.00 0.00 N ATOM 856 CA SER A 60 0.799 9.374 5.717 1.00 0.00 C ATOM 857 C SER A 60 1.929 8.356 5.831 1.00 0.00 C ATOM 858 O SER A 60 2.165 7.568 4.915 1.00 0.00 O ATOM 859 CB SER A 60 -0.302 9.046 6.727 1.00 0.00 C ATOM 860 OG SER A 60 -1.014 7.882 6.345 1.00 0.00 O ATOM 0 H SER A 60 -0.352 8.607 4.141 1.00 0.00 H new ATOM 0 HA SER A 60 1.201 10.363 5.937 1.00 0.00 H new ATOM 0 HB2 SER A 60 0.137 8.900 7.714 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.990 9.888 6.806 1.00 0.00 H new ATOM 0 HG SER A 60 -1.711 7.693 7.007 1.00 0.00 H new ATOM 866 N ARG A 61 2.626 8.380 6.963 1.00 0.00 N ATOM 867 CA ARG A 61 3.733 7.460 7.198 1.00 0.00 C ATOM 868 C ARG A 61 3.303 6.017 6.951 1.00 0.00 C ATOM 869 O ARG A 61 3.996 5.260 6.273 1.00 0.00 O ATOM 870 CB ARG A 61 4.253 7.611 8.629 1.00 0.00 C ATOM 871 CG ARG A 61 5.684 7.130 8.810 1.00 0.00 C ATOM 872 CD ARG A 61 6.003 6.872 10.274 1.00 0.00 C ATOM 873 NE ARG A 61 6.456 8.080 10.957 1.00 0.00 N ATOM 874 CZ ARG A 61 7.678 8.584 10.826 1.00 0.00 C ATOM 875 NH1 ARG A 61 8.564 7.988 10.041 1.00 0.00 N ATOM 876 NH2 ARG A 61 8.016 9.688 11.480 1.00 0.00 N ATOM 0 H ARG A 61 2.444 9.026 7.731 1.00 0.00 H new ATOM 0 HA ARG A 61 4.533 7.707 6.500 1.00 0.00 H new ATOM 0 HB2 ARG A 61 4.191 8.659 8.920 1.00 0.00 H new ATOM 0 HB3 ARG A 61 3.603 7.054 9.304 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.837 6.216 8.236 1.00 0.00 H new ATOM 0 HG3 ARG A 61 6.373 7.875 8.412 1.00 0.00 H new ATOM 0 HD2 ARG A 61 5.116 6.483 10.775 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.773 6.104 10.347 1.00 0.00 H new ATOM 0 HE ARG A 61 5.798 8.564 11.568 1.00 0.00 H new ATOM 0 HH11 ARG A 61 8.308 7.140 9.535 1.00 0.00 H new ATOM 0 HH12 ARG A 61 9.502 8.377 9.942 1.00 0.00 H new ATOM 0 HH21 ARG A 61 7.337 10.151 12.084 1.00 0.00 H new ATOM 0 HH22 ARG A 61 8.955 10.074 11.378 1.00 0.00 H new ATOM 890 N ASN A 62 2.154 5.644 7.507 1.00 0.00 N ATOM 891 CA ASN A 62 1.633 4.291 7.347 1.00 0.00 C ATOM 892 C ASN A 62 0.209 4.319 6.800 1.00 0.00 C ATOM 893 O ASN A 62 -0.723 3.830 7.439 1.00 0.00 O ATOM 894 CB ASN A 62 1.662 3.550 8.685 1.00 0.00 C ATOM 895 CG ASN A 62 3.074 3.343 9.200 1.00 0.00 C ATOM 896 OD1 ASN A 62 3.415 3.777 10.300 1.00 0.00 O ATOM 897 ND2 ASN A 62 3.902 2.676 8.404 1.00 0.00 N ATOM 0 H ASN A 62 1.567 6.259 8.071 1.00 0.00 H new ATOM 0 HA ASN A 62 2.268 3.765 6.634 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.088 4.113 9.421 1.00 0.00 H new ATOM 0 HB3 ASN A 62 1.174 2.582 8.572 1.00 0.00 H new ATOM 0 HD21 ASN A 62 4.864 2.505 8.697 1.00 0.00 H new ATOM 0 HD22 ASN A 62 3.576 2.334 7.500 1.00 0.00 H new ATOM 904 N HIS A 63 0.048 4.894 5.612 1.00 0.00 N ATOM 905 CA HIS A 63 -1.262 4.984 4.977 1.00 0.00 C ATOM 906 C HIS A 63 -1.934 3.615 4.921 1.00 0.00 C ATOM 907 O HIS A 63 -3.156 3.507 5.034 1.00 0.00 O ATOM 908 CB HIS A 63 -1.131 5.559 3.567 1.00 0.00 C ATOM 909 CG HIS A 63 -2.328 6.343 3.126 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.420 7.713 3.255 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.487 5.942 2.552 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.584 8.120 2.781 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.250 7.065 2.348 1.00 0.00 N ATOM 0 H HIS A 63 0.808 5.304 5.070 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.883 5.650 5.576 1.00 0.00 H new ATOM 0 HB2 HIS A 63 -0.251 6.201 3.526 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.963 4.742 2.865 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.760 4.928 2.301 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.932 9.142 2.752 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.180 7.082 1.930 1.00 0.00 H new ATOM 921 N CYS A 64 -1.129 2.573 4.744 1.00 0.00 N ATOM 922 CA CYS A 64 -1.646 1.211 4.671 1.00 0.00 C ATOM 923 C CYS A 64 -0.534 0.194 4.904 1.00 0.00 C ATOM 924 O CYS A 64 0.647 0.542 4.919 1.00 0.00 O ATOM 925 CB CYS A 64 -2.302 0.965 3.312 1.00 0.00 C ATOM 926 SG CYS A 64 -1.134 0.866 1.935 1.00 0.00 S ATOM 0 H CYS A 64 -0.116 2.645 4.648 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.394 1.090 5.455 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.872 0.037 3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -3.014 1.766 3.114 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.752 0.447 0.871 1.00 0.00 H new ATOM 932 N VAL A 65 -0.919 -1.065 5.088 1.00 0.00 N ATOM 933 CA VAL A 65 0.046 -2.133 5.321 1.00 0.00 C ATOM 934 C VAL A 65 -0.461 -3.461 4.770 1.00 0.00 C ATOM 935 O VAL A 65 -1.363 -4.078 5.338 1.00 0.00 O ATOM 936 CB VAL A 65 0.350 -2.296 6.822 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.333 -3.435 7.047 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.888 -0.995 7.401 1.00 0.00 C ATOM 0 H VAL A 65 -1.892 -1.370 5.080 1.00 0.00 H new ATOM 0 HA VAL A 65 0.961 -1.852 4.800 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.578 -2.541 7.338 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.536 -3.535 8.113 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.906 -4.364 6.670 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.263 -3.223 6.519 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.097 -1.128 8.462 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.806 -0.718 6.882 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.147 -0.206 7.274 1.00 0.00 H new ATOM 948 N LEU A 66 0.125 -3.896 3.660 1.00 0.00 N ATOM 949 CA LEU A 66 -0.266 -5.153 3.031 1.00 0.00 C ATOM 950 C LEU A 66 0.427 -6.336 3.700 1.00 0.00 C ATOM 951 O LEU A 66 1.554 -6.219 4.181 1.00 0.00 O ATOM 952 CB LEU A 66 0.073 -5.126 1.539 1.00 0.00 C ATOM 953 CG LEU A 66 -0.903 -4.362 0.643 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.340 -2.996 0.284 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.209 -5.162 -0.615 1.00 0.00 C ATOM 0 H LEU A 66 0.872 -3.397 3.177 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.343 -5.271 3.151 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.064 -4.688 1.420 1.00 0.00 H new ATOM 0 HB3 LEU A 66 0.134 -6.154 1.182 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.833 -4.216 1.192 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.048 -2.467 -0.354 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.172 -2.421 1.195 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.604 -3.120 -0.247 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -1.905 -4.604 -1.241 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.286 -5.339 -1.167 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -1.656 -6.117 -0.339 1.00 0.00 H new ATOM 967 N LYS A 67 -0.254 -7.476 3.726 1.00 0.00 N ATOM 968 CA LYS A 67 0.295 -8.683 4.332 1.00 0.00 C ATOM 969 C LYS A 67 -0.609 -9.883 4.071 1.00 0.00 C ATOM 970 O LYS A 67 -1.808 -9.730 3.843 1.00 0.00 O ATOM 971 CB LYS A 67 0.475 -8.485 5.839 1.00 0.00 C ATOM 972 CG LYS A 67 -0.801 -8.080 6.556 1.00 0.00 C ATOM 973 CD LYS A 67 -0.614 -6.794 7.343 1.00 0.00 C ATOM 974 CE LYS A 67 -0.046 -7.066 8.728 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.605 -6.137 9.749 1.00 0.00 N ATOM 0 H LYS A 67 -1.189 -7.590 3.334 1.00 0.00 H new ATOM 0 HA LYS A 67 1.267 -8.877 3.878 1.00 0.00 H new ATOM 0 HB2 LYS A 67 0.849 -9.411 6.276 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.235 -7.722 6.009 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.602 -7.949 5.829 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -1.110 -8.879 7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.055 -6.127 6.799 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.571 -6.280 7.435 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -0.265 -8.095 9.015 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.039 -6.966 8.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.193 -6.355 10.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.375 -5.157 9.489 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.638 -6.250 9.793 1.00 0.00 H new ATOM 989 N GLN A 68 -0.025 -11.077 4.107 1.00 0.00 N ATOM 990 CA GLN A 68 -0.780 -12.303 3.875 1.00 0.00 C ATOM 991 C GLN A 68 -1.214 -12.932 5.195 1.00 0.00 C ATOM 992 O GLN A 68 -0.382 -13.366 5.991 1.00 0.00 O ATOM 993 CB GLN A 68 0.059 -13.299 3.073 1.00 0.00 C ATOM 994 CG GLN A 68 0.381 -12.828 1.664 1.00 0.00 C ATOM 995 CD GLN A 68 1.079 -13.891 0.839 1.00 0.00 C ATOM 996 OE1 GLN A 68 2.201 -14.295 1.146 1.00 0.00 O ATOM 997 NE2 GLN A 68 0.417 -14.350 -0.217 1.00 0.00 N ATOM 0 H GLN A 68 0.967 -11.221 4.294 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.673 -12.048 3.304 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.991 -13.488 3.606 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.474 -14.248 3.017 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -0.541 -12.533 1.164 1.00 0.00 H new ATOM 0 HG3 GLN A 68 1.013 -11.941 1.717 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -0.511 -13.987 -0.435 1.00 0.00 H new ATOM 0 HE22 GLN A 68 0.837 -15.066 -0.810 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.524 -12.979 5.420 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.069 -13.555 6.644 1.00 0.00 C ATOM 1008 C ASN A 69 -2.498 -14.948 6.891 1.00 0.00 C ATOM 1009 O ASN A 69 -1.975 -15.601 5.988 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.595 -13.624 6.564 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.078 -14.246 5.267 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.530 -15.245 4.803 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.110 -13.654 4.676 1.00 0.00 N ATOM 0 H ASN A 69 -3.227 -12.625 4.771 1.00 0.00 H new ATOM 0 HA ASN A 69 -2.784 -12.912 7.477 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -4.974 -14.204 7.405 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.007 -12.619 6.658 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.479 -14.026 3.801 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.533 -12.827 5.097 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.599 -15.415 8.144 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.100 -16.735 8.540 1.00 0.00 C ATOM 1022 C PRO A 70 -2.570 -17.839 7.598 1.00 0.00 C ATOM 1023 O PRO A 70 -1.907 -18.865 7.451 1.00 0.00 O ATOM 1024 CB PRO A 70 -2.693 -16.935 9.937 1.00 0.00 C ATOM 1025 CG PRO A 70 -2.888 -15.556 10.466 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.210 -14.691 9.271 1.00 0.00 C ATOM 0 HA PRO A 70 -1.011 -16.784 8.514 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -3.636 -17.479 9.893 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.022 -17.512 10.573 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -3.697 -15.529 11.196 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -1.990 -15.202 10.973 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.286 -14.576 9.138 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.793 -13.689 9.377 1.00 0.00 H new ATOM 1034 N GLU A 71 -3.718 -17.620 6.964 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.276 -18.598 6.037 1.00 0.00 C ATOM 1036 C GLU A 71 -3.396 -18.737 4.798 1.00 0.00 C ATOM 1037 O GLU A 71 -3.214 -19.835 4.273 1.00 0.00 O ATOM 1038 CB GLU A 71 -5.693 -18.193 5.626 1.00 0.00 C ATOM 1039 CG GLU A 71 -6.575 -17.794 6.797 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.050 -18.004 6.514 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -8.456 -17.853 5.342 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -8.798 -18.318 7.463 1.00 0.00 O ATOM 0 H GLU A 71 -4.279 -16.775 7.075 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.314 -19.562 6.545 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -5.635 -17.360 4.925 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.160 -19.023 5.096 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.291 -18.374 7.675 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.401 -16.745 7.038 1.00 0.00 H new ATOM 1049 N GLY A 72 -2.851 -17.615 4.337 1.00 0.00 N ATOM 1050 CA GLY A 72 -1.998 -17.633 3.163 1.00 0.00 C ATOM 1051 C GLY A 72 -2.551 -16.791 2.031 1.00 0.00 C ATOM 1052 O GLY A 72 -2.222 -17.013 0.866 1.00 0.00 O ATOM 0 H GLY A 72 -2.985 -16.694 4.755 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.007 -17.268 3.432 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -1.877 -18.661 2.821 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.394 -15.822 2.373 1.00 0.00 N ATOM 1057 CA GLN A 73 -3.996 -14.946 1.376 1.00 0.00 C ATOM 1058 C GLN A 73 -3.703 -13.482 1.689 1.00 0.00 C ATOM 1059 O GLN A 73 -3.685 -13.078 2.851 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.507 -15.173 1.311 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.240 -14.152 0.457 1.00 0.00 C ATOM 1062 CD GLN A 73 -5.828 -14.208 -1.001 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.323 -15.224 -1.477 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.043 -13.112 -1.720 1.00 0.00 N ATOM 0 H GLN A 73 -3.675 -15.624 3.333 1.00 0.00 H new ATOM 0 HA GLN A 73 -3.558 -15.186 0.407 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -5.699 -16.170 0.915 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -5.914 -15.147 2.322 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.314 -14.323 0.534 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.048 -13.152 0.847 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -6.464 -12.291 -1.285 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -5.787 -13.091 -2.707 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.472 -12.694 0.645 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.179 -11.275 0.810 1.00 0.00 C ATOM 1075 C TRP A 74 -4.379 -10.535 1.391 1.00 0.00 C ATOM 1076 O TRP A 74 -5.528 -10.876 1.110 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.784 -10.656 -0.532 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.363 -10.934 -0.919 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -0.932 -11.763 -1.915 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.187 -10.384 -0.315 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.441 -11.761 -1.967 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.922 -10.922 -0.997 1.00 0.00 C ATOM 1083 CE3 TRP A 74 0.037 -9.487 0.733 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.233 -10.594 -0.661 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.338 -9.162 1.065 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.423 -9.713 0.369 1.00 0.00 C ATOM 0 H TRP A 74 -3.482 -13.013 -0.324 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.346 -11.180 1.506 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.446 -11.038 -1.309 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -2.936 -9.578 -0.485 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.576 -12.336 -2.566 1.00 0.00 H new ATOM 0 HE1 TRP A 74 1.010 -12.297 -2.622 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -0.792 -9.056 1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 3.070 -11.020 -1.194 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.522 -8.472 1.875 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.428 -9.437 0.651 1.00 0.00 H new ATOM 1097 N THR A 75 -4.105 -9.519 2.204 1.00 0.00 N ATOM 1098 CA THR A 75 -5.162 -8.732 2.826 1.00 0.00 C ATOM 1099 C THR A 75 -4.690 -7.312 3.119 1.00 0.00 C ATOM 1100 O THR A 75 -3.721 -7.109 3.851 1.00 0.00 O ATOM 1101 CB THR A 75 -5.648 -9.379 4.137 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.528 -9.693 4.973 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.445 -10.643 3.853 1.00 0.00 C ATOM 0 H THR A 75 -3.160 -9.222 2.447 1.00 0.00 H new ATOM 0 HA THR A 75 -5.989 -8.699 2.117 1.00 0.00 H new ATOM 0 HB THR A 75 -6.295 -8.667 4.650 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.700 -9.616 4.454 1.00 0.00 H new ATOM 0 HG21 THR A 75 -6.778 -11.082 4.793 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.312 -10.396 3.241 1.00 0.00 H new ATOM 0 HG23 THR A 75 -5.817 -11.357 3.321 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.381 -6.334 2.543 1.00 0.00 N ATOM 1112 CA ILE A 76 -5.032 -4.933 2.744 1.00 0.00 C ATOM 1113 C ILE A 76 -5.621 -4.402 4.046 1.00 0.00 C ATOM 1114 O ILE A 76 -6.800 -4.607 4.336 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.525 -4.057 1.576 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -5.068 -2.610 1.768 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -7.040 -4.129 1.462 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -5.103 -1.792 0.496 1.00 0.00 C ATOM 0 H ILE A 76 -6.185 -6.486 1.934 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.944 -4.882 2.792 1.00 0.00 H new ATOM 0 HB ILE A 76 -5.093 -4.435 0.650 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.703 -2.133 2.515 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -4.053 -2.608 2.164 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -7.373 -3.505 0.632 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.343 -5.161 1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.492 -3.773 2.388 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.766 -0.777 0.707 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -4.446 -2.245 -0.246 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -6.122 -1.763 0.110 1.00 0.00 H new ATOM 1130 N MET A 77 -4.793 -3.716 4.827 1.00 0.00 N ATOM 1131 CA MET A 77 -5.233 -3.152 6.098 1.00 0.00 C ATOM 1132 C MET A 77 -4.677 -1.744 6.290 1.00 0.00 C ATOM 1133 O MET A 77 -3.465 -1.532 6.231 1.00 0.00 O ATOM 1134 CB MET A 77 -4.794 -4.048 7.257 1.00 0.00 C ATOM 1135 CG MET A 77 -5.231 -3.536 8.620 1.00 0.00 C ATOM 1136 SD MET A 77 -3.931 -3.674 9.863 1.00 0.00 S ATOM 1137 CE MET A 77 -2.898 -2.276 9.429 1.00 0.00 C ATOM 0 H MET A 77 -3.814 -3.537 4.602 1.00 0.00 H new ATOM 0 HA MET A 77 -6.321 -3.095 6.084 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.200 -5.048 7.106 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.708 -4.140 7.243 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.535 -2.493 8.532 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.106 -4.096 8.951 1.00 0.00 H new ATOM 0 HE1 MET A 77 -2.048 -2.226 10.110 1.00 0.00 H new ATOM 0 HE2 MET A 77 -2.538 -2.393 8.407 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.479 -1.357 9.506 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.568 -0.787 6.518 1.00 0.00 N ATOM 1148 CA ASP A 78 -5.166 0.601 6.719 1.00 0.00 C ATOM 1149 C ASP A 78 -4.705 0.830 8.155 1.00 0.00 C ATOM 1150 O ASP A 78 -5.473 0.654 9.100 1.00 0.00 O ATOM 1151 CB ASP A 78 -6.324 1.543 6.386 1.00 0.00 C ATOM 1152 CG ASP A 78 -6.099 2.946 6.915 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -4.928 3.372 6.988 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -7.095 3.617 7.258 1.00 0.00 O ATOM 0 H ASP A 78 -6.574 -0.946 6.568 1.00 0.00 H new ATOM 0 HA ASP A 78 -4.332 0.813 6.050 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -6.457 1.582 5.305 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -7.247 1.143 6.806 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.445 1.223 8.311 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.881 1.474 9.632 1.00 0.00 C ATOM 1161 C ASN A 79 -3.335 2.828 10.169 1.00 0.00 C ATOM 1162 O ASN A 79 -2.517 3.704 10.451 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.352 1.423 9.575 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.739 0.992 10.893 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -1.396 1.017 11.934 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.527 0.593 10.854 1.00 0.00 N ATOM 0 H ASN A 79 -2.795 1.374 7.539 1.00 0.00 H new ATOM 0 HA ASN A 79 -3.240 0.696 10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -1.043 0.732 8.791 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.968 2.406 9.303 1.00 0.00 H new ATOM 0 HD21 ASN A 79 0.993 0.291 11.710 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.033 0.589 9.969 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.646 2.993 10.309 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.212 4.238 10.814 1.00 0.00 C ATOM 1175 C LYS A 80 -4.674 5.435 10.036 1.00 0.00 C ATOM 1176 O LYS A 80 -3.795 6.153 10.513 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.895 4.400 12.302 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.843 3.638 13.212 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.881 4.239 14.607 1.00 0.00 C ATOM 1180 CE LYS A 80 -6.840 3.483 15.514 1.00 0.00 C ATOM 1181 NZ LYS A 80 -8.212 4.062 15.477 1.00 0.00 N ATOM 0 H LYS A 80 -5.337 2.279 10.079 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.293 4.196 10.681 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.876 4.061 12.487 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.930 5.459 12.559 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.845 3.647 12.784 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -5.531 2.595 13.272 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -4.880 4.222 15.039 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.184 5.284 14.546 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -6.879 2.437 15.210 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -6.465 3.504 16.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -8.835 3.519 16.108 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -8.179 5.053 15.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -8.581 4.019 14.506 1.00 0.00 H new ATOM 1195 N SER A 81 -5.208 5.644 8.837 1.00 0.00 N ATOM 1196 CA SER A 81 -4.779 6.753 7.992 1.00 0.00 C ATOM 1197 C SER A 81 -5.570 8.017 8.313 1.00 0.00 C ATOM 1198 O SER A 81 -6.607 7.964 8.977 1.00 0.00 O ATOM 1199 CB SER A 81 -4.950 6.392 6.515 1.00 0.00 C ATOM 1200 OG SER A 81 -6.285 6.007 6.235 1.00 0.00 O ATOM 0 H SER A 81 -5.938 5.060 8.429 1.00 0.00 H new ATOM 0 HA SER A 81 -3.725 6.944 8.192 1.00 0.00 H new ATOM 0 HB2 SER A 81 -4.677 7.246 5.895 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.272 5.579 6.255 1.00 0.00 H new ATOM 0 HG SER A 81 -6.368 5.783 5.285 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.074 9.154 7.838 1.00 0.00 N ATOM 1207 CA LEU A 82 -5.733 10.434 8.073 1.00 0.00 C ATOM 1208 C LEU A 82 -6.696 10.768 6.938 1.00 0.00 C ATOM 1209 O LEU A 82 -7.836 11.165 7.175 1.00 0.00 O ATOM 1210 CB LEU A 82 -4.693 11.547 8.218 1.00 0.00 C ATOM 1211 CG LEU A 82 -5.240 12.973 8.280 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -5.901 13.234 9.624 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -4.129 13.982 8.024 1.00 0.00 C ATOM 0 H LEU A 82 -4.217 9.216 7.288 1.00 0.00 H new ATOM 0 HA LEU A 82 -6.304 10.355 8.998 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.115 11.361 9.123 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -4.000 11.481 7.379 1.00 0.00 H new ATOM 0 HG LEU A 82 -5.993 13.087 7.501 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.284 14.254 9.649 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -6.724 12.534 9.767 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.169 13.102 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -4.536 14.992 8.072 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -3.352 13.868 8.780 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -3.702 13.810 7.036 1.00 0.00 H new ATOM 1225 N ASN A 83 -6.229 10.601 5.705 1.00 0.00 N ATOM 1226 CA ASN A 83 -7.050 10.883 4.532 1.00 0.00 C ATOM 1227 C ASN A 83 -8.066 9.769 4.299 1.00 0.00 C ATOM 1228 O ASN A 83 -9.255 10.027 4.119 1.00 0.00 O ATOM 1229 CB ASN A 83 -6.167 11.050 3.294 1.00 0.00 C ATOM 1230 CG ASN A 83 -4.853 11.738 3.610 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -3.874 11.091 3.983 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -4.826 13.057 3.462 1.00 0.00 N ATOM 0 H ASN A 83 -5.287 10.272 5.492 1.00 0.00 H new ATOM 0 HA ASN A 83 -7.591 11.812 4.712 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -5.966 10.071 2.860 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -6.705 11.628 2.542 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -3.970 13.575 3.660 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.661 13.552 3.150 1.00 0.00 H new ATOM 1239 N GLY A 84 -7.588 8.528 4.306 1.00 0.00 N ATOM 1240 CA GLY A 84 -8.468 7.393 4.094 1.00 0.00 C ATOM 1241 C GLY A 84 -8.088 6.585 2.870 1.00 0.00 C ATOM 1242 O GLY A 84 -7.481 7.109 1.935 1.00 0.00 O ATOM 0 H GLY A 84 -6.608 8.288 4.455 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -8.443 6.749 4.973 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -9.493 7.747 3.988 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.444 5.304 2.874 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.136 4.422 1.755 1.00 0.00 C ATOM 1248 C VAL A 85 -9.403 4.012 1.013 1.00 0.00 C ATOM 1249 O VAL A 85 -10.498 4.036 1.575 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.397 3.155 2.226 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -5.954 3.479 2.581 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -8.118 2.528 3.410 1.00 0.00 C ATOM 0 H VAL A 85 -8.946 4.854 3.640 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.489 4.982 1.080 1.00 0.00 H new ATOM 0 HB VAL A 85 -7.391 2.433 1.409 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.448 2.572 2.911 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -5.445 3.880 1.704 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -5.933 4.218 3.382 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -7.583 1.634 3.730 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -8.156 3.242 4.233 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -9.132 2.258 3.117 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.247 3.636 -0.251 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.380 3.219 -1.070 1.00 0.00 C ATOM 1264 C TRP A 86 -10.069 1.923 -1.810 1.00 0.00 C ATOM 1265 O TRP A 86 -9.046 1.813 -2.488 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.743 4.318 -2.070 1.00 0.00 C ATOM 1267 CG TRP A 86 -10.960 5.656 -1.430 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.029 6.638 -1.249 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.186 6.157 -0.886 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -10.601 7.719 -0.624 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -11.924 7.450 -0.392 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.479 5.640 -0.770 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -12.909 8.230 0.209 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.455 6.416 -0.173 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.166 7.699 0.309 1.00 0.00 C ATOM 0 H TRP A 86 -8.348 3.611 -0.731 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.229 3.043 -0.410 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -9.948 4.402 -2.811 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.647 4.028 -2.605 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -8.995 6.574 -1.553 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.119 8.582 -0.373 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.712 4.652 -1.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -12.688 9.219 0.583 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.458 6.026 -0.077 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -14.951 8.281 0.769 1.00 0.00 H new ATOM 1286 N LEU A 87 -10.956 0.943 -1.676 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.776 -0.347 -2.333 1.00 0.00 C ATOM 1288 C LEU A 87 -11.979 -0.684 -3.209 1.00 0.00 C ATOM 1289 O LEU A 87 -13.086 -0.883 -2.710 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.565 -1.447 -1.292 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.463 -2.873 -1.833 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.242 -3.018 -2.728 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.410 -3.875 -0.689 1.00 0.00 C ATOM 0 H LEU A 87 -11.807 1.017 -1.118 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.893 -0.283 -2.969 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.654 -1.224 -0.737 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.389 -1.408 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.352 -3.079 -2.429 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -9.186 -4.040 -3.104 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.322 -2.327 -3.567 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.342 -2.792 -2.156 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.338 -4.885 -1.093 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.539 -3.670 -0.066 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -11.315 -3.789 -0.088 1.00 0.00 H new ATOM 1305 N ASN A 88 -11.753 -0.749 -4.517 1.00 0.00 N ATOM 1306 CA ASN A 88 -12.818 -1.065 -5.462 1.00 0.00 C ATOM 1307 C ASN A 88 -13.989 -0.100 -5.304 1.00 0.00 C ATOM 1308 O ASN A 88 -15.139 -0.520 -5.171 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.297 -2.504 -5.261 1.00 0.00 C ATOM 1310 CG ASN A 88 -12.392 -3.514 -5.940 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.918 -3.290 -7.054 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -12.149 -4.635 -5.270 1.00 0.00 N ATOM 0 H ASN A 88 -10.842 -0.587 -4.947 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.418 -0.961 -6.470 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.345 -2.723 -4.194 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -14.309 -2.605 -5.653 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -11.548 -5.352 -5.677 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.563 -4.779 -4.349 1.00 0.00 H new ATOM 1319 N ARG A 89 -13.689 1.194 -5.319 1.00 0.00 N ATOM 1320 CA ARG A 89 -14.716 2.219 -5.176 1.00 0.00 C ATOM 1321 C ARG A 89 -15.500 2.026 -3.881 1.00 0.00 C ATOM 1322 O ARG A 89 -16.714 2.223 -3.844 1.00 0.00 O ATOM 1323 CB ARG A 89 -15.670 2.184 -6.372 1.00 0.00 C ATOM 1324 CG ARG A 89 -14.971 2.341 -7.713 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.012 1.051 -8.516 1.00 0.00 C ATOM 1326 NE ARG A 89 -16.166 0.999 -9.410 1.00 0.00 N ATOM 1327 CZ ARG A 89 -16.501 -0.075 -10.117 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -15.775 -1.181 -10.032 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -17.565 -0.044 -10.909 1.00 0.00 N ATOM 0 H ARG A 89 -12.743 1.558 -5.429 1.00 0.00 H new ATOM 0 HA ARG A 89 -14.223 3.190 -5.141 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -16.215 1.240 -6.364 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -16.408 2.979 -6.261 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.447 3.140 -8.281 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -13.935 2.638 -7.552 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -14.096 0.958 -9.100 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -15.043 0.201 -7.835 1.00 0.00 H new ATOM 0 HE ARG A 89 -16.747 1.833 -9.496 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -14.957 -1.209 -9.423 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -16.034 -2.004 -10.576 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -18.127 0.805 -10.976 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -17.821 -0.869 -11.451 1.00 0.00 H new ATOM 1343 N ALA A 90 -14.797 1.639 -2.822 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.426 1.422 -1.525 1.00 0.00 C ATOM 1345 C ALA A 90 -14.589 2.023 -0.401 1.00 0.00 C ATOM 1346 O ALA A 90 -13.369 2.135 -0.515 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.642 -0.065 -1.287 1.00 0.00 C ATOM 0 H ALA A 90 -13.791 1.469 -2.837 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.394 1.923 -1.529 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -16.112 -0.213 -0.315 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.287 -0.468 -2.068 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.682 -0.580 -1.308 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.254 2.410 0.683 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.571 3.002 1.827 1.00 0.00 C ATOM 1355 C ARG A 91 -14.174 1.930 2.838 1.00 0.00 C ATOM 1356 O ARG A 91 -15.012 1.150 3.293 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.467 4.045 2.498 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.809 4.744 3.677 1.00 0.00 C ATOM 1359 CD ARG A 91 -14.119 6.029 3.247 1.00 0.00 C ATOM 1360 NE ARG A 91 -13.351 6.628 4.336 1.00 0.00 N ATOM 1361 CZ ARG A 91 -12.190 6.147 4.766 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -11.666 5.067 4.204 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -11.550 6.748 5.762 1.00 0.00 N ATOM 0 H ARG A 91 -16.264 2.324 0.793 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.665 3.489 1.466 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -15.757 4.792 1.759 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.382 3.561 2.838 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -15.560 4.969 4.434 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -14.082 4.076 4.138 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -13.456 5.821 2.407 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -14.865 6.741 2.895 1.00 0.00 H new ATOM 0 HE ARG A 91 -13.727 7.460 4.791 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -12.155 4.602 3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -10.774 4.701 4.537 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -11.950 7.579 6.197 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -10.658 6.378 6.092 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.892 1.898 3.184 1.00 0.00 N ATOM 1378 CA LEU A 92 -12.383 0.921 4.141 1.00 0.00 C ATOM 1379 C LEU A 92 -12.254 1.537 5.531 1.00 0.00 C ATOM 1380 O LEU A 92 -12.258 2.758 5.681 1.00 0.00 O ATOM 1381 CB LEU A 92 -11.026 0.386 3.680 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.947 -0.080 2.226 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.498 -0.255 1.799 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.721 -1.377 2.038 1.00 0.00 C ATOM 0 H LEU A 92 -12.186 2.536 2.817 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.093 0.096 4.194 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -10.280 1.166 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.749 -0.449 4.324 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.400 0.685 1.595 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.462 -0.587 0.761 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.973 0.696 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -9.019 -0.999 2.435 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.654 -1.693 0.997 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -11.298 -2.149 2.680 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.767 -1.218 2.302 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.138 0.682 6.542 1.00 0.00 N ATOM 1397 CA GLU A 93 -12.006 1.143 7.920 1.00 0.00 C ATOM 1398 C GLU A 93 -10.586 0.925 8.433 1.00 0.00 C ATOM 1399 O GLU A 93 -9.819 0.127 7.893 1.00 0.00 O ATOM 1400 CB GLU A 93 -13.004 0.415 8.822 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.340 1.127 8.950 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.493 0.167 9.175 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.268 -0.899 9.784 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.621 0.484 8.742 1.00 0.00 O ATOM 0 H GLU A 93 -12.133 -0.332 6.434 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.221 2.211 7.941 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -13.172 -0.588 8.429 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.567 0.299 9.814 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.293 1.833 9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.526 1.707 8.046 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.225 1.651 9.502 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.896 1.555 10.112 1.00 0.00 C ATOM 1413 C PRO A 94 -8.679 0.223 10.821 1.00 0.00 C ATOM 1414 O PRO A 94 -9.501 -0.201 11.634 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.884 2.706 11.121 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.319 2.935 11.450 1.00 0.00 C ATOM 1417 CD PRO A 94 -11.087 2.621 10.196 1.00 0.00 C ATOM 0 HA PRO A 94 -8.101 1.614 9.368 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -8.310 2.447 12.011 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.427 3.600 10.697 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.637 2.295 12.273 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.488 3.965 11.763 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -12.067 2.200 10.420 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.254 3.514 9.593 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.567 -0.434 10.510 1.00 0.00 N ATOM 1426 CA LEU A 95 -7.241 -1.719 11.119 1.00 0.00 C ATOM 1427 C LEU A 95 -8.284 -2.772 10.758 1.00 0.00 C ATOM 1428 O LEU A 95 -8.804 -3.469 11.629 1.00 0.00 O ATOM 1429 CB LEU A 95 -7.148 -1.577 12.639 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.517 -0.283 13.154 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.435 -0.297 14.673 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -5.137 -0.082 12.545 1.00 0.00 C ATOM 0 H LEU A 95 -6.876 -0.098 9.839 1.00 0.00 H new ATOM 0 HA LEU A 95 -6.275 -2.042 10.731 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -8.153 -1.658 13.054 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.574 -2.418 13.028 1.00 0.00 H new ATOM 0 HG LEU A 95 -7.149 0.552 12.852 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.983 0.632 15.022 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.437 -0.392 15.091 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.826 -1.141 14.997 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.704 0.844 12.923 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.495 -0.920 12.815 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -5.223 -0.026 11.460 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.582 -2.885 9.468 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.561 -3.854 8.991 1.00 0.00 C ATOM 1446 C ARG A 96 -8.933 -4.812 7.983 1.00 0.00 C ATOM 1447 O ARG A 96 -7.922 -4.494 7.356 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.753 -3.136 8.355 1.00 0.00 C ATOM 1449 CG ARG A 96 -12.068 -3.881 8.513 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.765 -3.511 9.813 1.00 0.00 C ATOM 1451 NE ARG A 96 -12.300 -4.323 10.934 1.00 0.00 N ATOM 1452 CZ ARG A 96 -12.555 -4.035 12.206 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -13.267 -2.961 12.516 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -12.097 -4.823 13.170 1.00 0.00 N ATOM 0 H ARG A 96 -8.159 -2.317 8.734 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.908 -4.432 9.847 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.850 -2.146 8.801 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.554 -2.989 7.293 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.721 -3.652 7.671 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.884 -4.955 8.490 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.590 -2.458 10.031 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.841 -3.637 9.696 1.00 0.00 H new ATOM 0 HE ARG A 96 -11.749 -5.157 10.730 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -13.621 -2.353 11.777 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -13.461 -2.742 13.493 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -11.549 -5.650 12.935 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -12.293 -4.601 14.146 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.538 -5.986 7.833 1.00 0.00 N ATOM 1469 CA VAL A 97 -9.039 -6.990 6.901 1.00 0.00 C ATOM 1470 C VAL A 97 -9.898 -7.047 5.643 1.00 0.00 C ATOM 1471 O VAL A 97 -11.113 -7.233 5.716 1.00 0.00 O ATOM 1472 CB VAL A 97 -9.002 -8.387 7.548 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -8.317 -9.384 6.626 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -8.304 -8.330 8.898 1.00 0.00 C ATOM 0 H VAL A 97 -10.375 -6.265 8.345 1.00 0.00 H new ATOM 0 HA VAL A 97 -8.025 -6.696 6.632 1.00 0.00 H new ATOM 0 HB VAL A 97 -10.027 -8.722 7.709 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -8.300 -10.366 7.100 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.864 -9.445 5.685 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -7.295 -9.057 6.432 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -8.287 -9.326 9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -7.282 -7.975 8.765 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.842 -7.649 9.557 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.259 -6.886 4.489 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.965 -6.918 3.214 1.00 0.00 C ATOM 1486 C TYR A 98 -9.161 -7.682 2.165 1.00 0.00 C ATOM 1487 O TYR A 98 -8.201 -7.159 1.601 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.240 -5.495 2.724 1.00 0.00 C ATOM 1489 CG TYR A 98 -11.384 -4.817 3.445 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.702 -5.067 3.084 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -11.146 -3.927 4.485 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.751 -4.450 3.739 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -12.188 -3.307 5.146 1.00 0.00 C ATOM 1494 CZ TYR A 98 -13.489 -3.571 4.769 1.00 0.00 C ATOM 1495 OH TYR A 98 -14.530 -2.954 5.424 1.00 0.00 O ATOM 0 H TYR A 98 -8.254 -6.732 4.411 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.913 -7.433 3.366 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.338 -4.896 2.848 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.460 -5.523 1.657 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.910 -5.755 2.278 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -10.129 -3.717 4.781 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.770 -4.655 3.446 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -11.986 -2.619 5.954 1.00 0.00 H new ATOM 0 HH TYR A 98 -14.174 -2.367 6.124 1.00 0.00 H new ATOM 1505 N SER A 99 -9.563 -8.923 1.910 1.00 0.00 N ATOM 1506 CA SER A 99 -8.880 -9.761 0.933 1.00 0.00 C ATOM 1507 C SER A 99 -8.918 -9.122 -0.452 1.00 0.00 C ATOM 1508 O SER A 99 -9.985 -8.775 -0.959 1.00 0.00 O ATOM 1509 CB SER A 99 -9.522 -11.150 0.883 1.00 0.00 C ATOM 1510 OG SER A 99 -10.327 -11.380 2.026 1.00 0.00 O ATOM 0 H SER A 99 -10.358 -9.370 2.367 1.00 0.00 H new ATOM 0 HA SER A 99 -7.839 -9.860 1.241 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.129 -11.242 -0.018 1.00 0.00 H new ATOM 0 HB3 SER A 99 -8.745 -11.912 0.822 1.00 0.00 H new ATOM 0 HG SER A 99 -10.727 -12.273 1.970 1.00 0.00 H new ATOM 1516 N ILE A 100 -7.745 -8.970 -1.059 1.00 0.00 N ATOM 1517 CA ILE A 100 -7.643 -8.374 -2.385 1.00 0.00 C ATOM 1518 C ILE A 100 -7.560 -9.447 -3.465 1.00 0.00 C ATOM 1519 O ILE A 100 -6.963 -10.504 -3.261 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.413 -7.454 -2.495 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.129 -8.252 -2.257 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -6.521 -6.304 -1.504 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -3.871 -7.422 -2.381 1.00 0.00 C ATOM 0 H ILE A 100 -6.853 -9.251 -0.653 1.00 0.00 H new ATOM 0 HA ILE A 100 -8.545 -7.781 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.378 -7.038 -3.502 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.166 -8.696 -1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.084 -9.074 -2.971 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.644 -5.663 -1.594 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -7.419 -5.723 -1.717 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -6.578 -6.701 -0.491 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.000 -8.052 -2.200 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.811 -7.000 -3.384 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -3.894 -6.615 -1.648 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.162 -9.167 -4.617 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.155 -10.108 -5.732 1.00 0.00 C ATOM 1537 C HIS A 101 -7.838 -9.394 -7.042 1.00 0.00 C ATOM 1538 O HIS A 101 -7.930 -8.170 -7.131 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.505 -10.817 -5.837 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.948 -11.455 -4.557 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.210 -12.417 -3.901 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -11.061 -11.264 -3.811 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.850 -12.791 -2.807 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.976 -12.106 -2.729 1.00 0.00 N ATOM 0 H HIS A 101 -8.660 -8.297 -4.803 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.378 -10.849 -5.545 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.260 -10.098 -6.155 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.446 -11.581 -6.612 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.866 -10.577 -4.026 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.510 -13.531 -2.098 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.670 -12.189 -1.986 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.463 -10.167 -8.056 1.00 0.00 N ATOM 1553 CA GLN A 102 -7.131 -9.608 -9.361 1.00 0.00 C ATOM 1554 C GLN A 102 -8.248 -8.701 -9.865 1.00 0.00 C ATOM 1555 O GLN A 102 -9.358 -9.158 -10.134 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.874 -10.729 -10.369 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.463 -10.228 -11.745 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.960 -10.103 -11.895 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -4.197 -10.612 -11.073 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.525 -9.423 -12.950 1.00 0.00 N ATOM 0 H GLN A 102 -7.382 -11.182 -7.999 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.225 -9.012 -9.253 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -6.093 -11.383 -9.981 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.776 -11.333 -10.466 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.845 -10.910 -12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.925 -9.257 -11.927 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -5.193 -9.018 -13.606 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.523 -9.306 -13.104 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.947 -7.412 -9.989 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.937 -6.461 -10.460 1.00 0.00 C ATOM 1571 C GLY A 103 -9.352 -5.476 -9.386 1.00 0.00 C ATOM 1572 O GLY A 103 -10.429 -4.884 -9.458 1.00 0.00 O ATOM 0 H GLY A 103 -7.035 -7.009 -9.772 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.535 -5.915 -11.313 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.816 -7.001 -10.813 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.496 -5.299 -8.385 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.779 -4.379 -7.290 1.00 0.00 C ATOM 1578 C ASP A 104 -8.209 -2.995 -7.582 1.00 0.00 C ATOM 1579 O ASP A 104 -7.462 -2.810 -8.543 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.199 -4.917 -5.981 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.201 -5.746 -5.201 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -10.047 -6.408 -5.839 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.140 -5.733 -3.954 1.00 0.00 O ATOM 0 H ASP A 104 -7.600 -5.781 -8.310 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.861 -4.293 -7.191 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.321 -5.524 -6.199 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -7.865 -4.082 -5.365 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.567 -2.025 -6.748 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.094 -0.656 -6.919 1.00 0.00 C ATOM 1590 C TYR A 105 -7.874 0.017 -5.567 1.00 0.00 C ATOM 1591 O TYR A 105 -8.829 0.386 -4.883 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.095 0.152 -7.746 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.725 0.258 -9.209 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.910 -0.815 -10.072 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.190 1.431 -9.727 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.573 -0.722 -11.409 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -7.851 1.533 -11.062 1.00 0.00 C ATOM 1598 CZ TYR A 105 -8.044 0.454 -11.899 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.708 0.550 -13.230 1.00 0.00 O ATOM 0 H TYR A 105 -9.183 -2.161 -5.947 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.141 -0.691 -7.447 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.079 -0.308 -7.661 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.175 1.155 -7.326 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -9.324 -1.737 -9.692 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.037 2.278 -9.074 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.723 -1.565 -12.067 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.437 2.453 -11.448 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.350 1.444 -13.413 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.609 0.173 -5.190 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.263 0.803 -3.923 1.00 0.00 C ATOM 1611 C ILE A 106 -5.929 2.278 -4.115 1.00 0.00 C ATOM 1612 O ILE A 106 -5.020 2.625 -4.869 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.067 0.101 -3.253 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.385 -1.377 -3.013 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.711 0.791 -1.945 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -4.954 -2.280 -4.147 1.00 0.00 C ATOM 0 H ILE A 106 -5.808 -0.128 -5.744 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.136 0.712 -3.277 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.207 0.165 -3.920 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.895 -1.701 -2.095 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.458 -1.489 -2.858 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.864 0.283 -1.484 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.447 1.830 -2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.566 0.755 -1.270 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.211 -3.312 -3.908 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.464 -1.982 -5.063 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.876 -2.198 -4.288 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.668 3.142 -3.427 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.449 4.580 -3.521 1.00 0.00 C ATOM 1630 C GLN A 107 -6.014 5.154 -2.177 1.00 0.00 C ATOM 1631 O GLN A 107 -6.826 5.313 -1.265 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.722 5.281 -4.000 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.456 6.547 -4.799 1.00 0.00 C ATOM 1634 CD GLN A 107 -8.712 7.109 -5.436 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.048 6.775 -6.573 1.00 0.00 O ATOM 1636 NE2 GLN A 107 -9.413 7.968 -4.705 1.00 0.00 N ATOM 0 H GLN A 107 -7.424 2.871 -2.798 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.652 4.754 -4.244 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.299 4.589 -4.613 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.337 5.530 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.017 7.300 -4.144 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -6.723 6.334 -5.577 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.097 8.216 -3.767 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.267 8.379 -5.081 1.00 0.00 H new ATOM 1645 N LEU A 108 -4.727 5.463 -2.061 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.182 6.020 -0.827 1.00 0.00 C ATOM 1647 C LEU A 108 -4.535 7.497 -0.694 1.00 0.00 C ATOM 1648 O LEU A 108 -3.758 8.369 -1.081 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.663 5.841 -0.791 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.153 4.404 -0.911 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -0.633 4.378 -0.944 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -2.678 3.555 0.237 1.00 0.00 C ATOM 0 H LEU A 108 -4.042 5.337 -2.806 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.625 5.483 0.012 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.229 6.428 -1.600 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.290 6.261 0.143 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.523 3.984 -1.846 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.289 3.347 -1.030 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.278 4.952 -1.800 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.242 4.816 -0.026 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.305 2.536 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.338 3.973 1.184 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.768 3.547 0.215 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.713 7.772 -0.141 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.147 9.145 0.035 1.00 0.00 C ATOM 1666 C GLY A 109 -7.307 9.508 -0.871 1.00 0.00 C ATOM 1667 O GLY A 109 -7.895 8.640 -1.516 1.00 0.00 O ATOM 0 H GLY A 109 -6.374 7.068 0.188 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.439 9.300 1.074 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.311 9.815 -0.164 1.00 0.00 H new ATOM 1671 N VAL A 110 -7.639 10.794 -0.919 1.00 0.00 N ATOM 1672 CA VAL A 110 -8.737 11.269 -1.752 1.00 0.00 C ATOM 1673 C VAL A 110 -8.230 12.189 -2.857 1.00 0.00 C ATOM 1674 O VAL A 110 -7.168 12.802 -2.750 1.00 0.00 O ATOM 1675 CB VAL A 110 -9.791 12.021 -0.917 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -10.669 11.038 -0.157 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -9.118 12.995 0.038 1.00 0.00 C ATOM 0 H VAL A 110 -7.163 11.525 -0.391 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.199 10.389 -2.199 1.00 0.00 H new ATOM 0 HB VAL A 110 -10.426 12.592 -1.594 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -11.408 11.587 0.427 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.179 10.384 -0.864 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.050 10.439 0.511 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -9.877 13.517 0.620 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -8.458 12.447 0.711 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -8.535 13.719 -0.532 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.008 12.291 -3.945 1.00 0.00 N ATOM 1688 CA PRO A 111 -8.658 13.135 -5.092 1.00 0.00 C ATOM 1689 C PRO A 111 -8.752 14.622 -4.766 1.00 0.00 C ATOM 1690 O PRO A 111 -9.112 15.003 -3.651 1.00 0.00 O ATOM 1691 CB PRO A 111 -9.700 12.752 -6.145 1.00 0.00 C ATOM 1692 CG PRO A 111 -10.864 12.250 -5.362 1.00 0.00 C ATOM 1693 CD PRO A 111 -10.287 11.589 -4.141 1.00 0.00 C ATOM 0 HA PRO A 111 -7.629 12.979 -5.415 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -9.976 13.609 -6.759 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.317 11.987 -6.820 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -11.530 13.067 -5.085 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -11.452 11.543 -5.947 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -10.942 11.699 -3.277 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.139 10.520 -4.295 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.426 15.459 -5.745 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.474 16.905 -5.563 1.00 0.00 C ATOM 1703 C LEU A 112 -9.642 17.513 -6.334 1.00 0.00 C ATOM 1704 O LEU A 112 -10.290 16.837 -7.132 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.160 17.541 -6.021 1.00 0.00 C ATOM 1706 CG LEU A 112 -5.940 17.268 -5.140 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -4.662 17.664 -5.862 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -6.060 18.013 -3.818 1.00 0.00 C ATOM 0 H LEU A 112 -8.126 15.161 -6.673 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.618 17.108 -4.502 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -6.941 17.189 -7.029 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.304 18.620 -6.084 1.00 0.00 H new ATOM 0 HG LEU A 112 -5.899 16.199 -4.930 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -3.804 17.463 -5.220 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -4.570 17.087 -6.782 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.694 18.727 -6.102 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.183 17.807 -3.204 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.126 19.084 -4.009 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.956 17.682 -3.294 1.00 0.00 H new ATOM 1800 N ALA A 118 -7.503 10.229 -7.677 1.00 0.00 N ATOM 1801 CA ALA A 118 -6.289 10.433 -6.897 1.00 0.00 C ATOM 1802 C ALA A 118 -5.044 10.221 -7.753 1.00 0.00 C ATOM 1803 O ALA A 118 -5.057 9.433 -8.698 1.00 0.00 O ATOM 1804 CB ALA A 118 -6.271 9.499 -5.696 1.00 0.00 C ATOM 0 HA ALA A 118 -6.283 11.464 -6.543 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -5.359 9.662 -5.122 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -7.137 9.700 -5.066 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -6.304 8.465 -6.039 1.00 0.00 H new ATOM 1810 N GLU A 119 -3.972 10.930 -7.416 1.00 0.00 N ATOM 1811 CA GLU A 119 -2.720 10.820 -8.155 1.00 0.00 C ATOM 1812 C GLU A 119 -2.076 9.454 -7.934 1.00 0.00 C ATOM 1813 O GLU A 119 -1.491 8.876 -8.851 1.00 0.00 O ATOM 1814 CB GLU A 119 -1.753 11.927 -7.732 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.403 13.297 -7.627 1.00 0.00 C ATOM 1816 CD GLU A 119 -3.357 13.579 -8.771 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -2.956 13.388 -9.939 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -4.504 13.991 -8.499 1.00 0.00 O ATOM 0 H GLU A 119 -3.945 11.587 -6.636 1.00 0.00 H new ATOM 0 HA GLU A 119 -2.943 10.930 -9.216 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.316 11.667 -6.768 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -0.935 11.977 -8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -2.943 13.367 -6.683 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.627 14.063 -7.608 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.187 8.945 -6.713 1.00 0.00 N ATOM 1826 CA TYR A 120 -1.614 7.650 -6.369 1.00 0.00 C ATOM 1827 C TYR A 120 -2.669 6.551 -6.440 1.00 0.00 C ATOM 1828 O TYR A 120 -3.537 6.452 -5.573 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.001 7.695 -4.969 1.00 0.00 C ATOM 1830 CG TYR A 120 0.270 8.510 -4.890 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.227 9.880 -4.660 1.00 0.00 C ATOM 1832 CD2 TYR A 120 1.514 7.910 -5.043 1.00 0.00 C ATOM 1833 CE1 TYR A 120 1.386 10.628 -4.588 1.00 0.00 C ATOM 1834 CE2 TYR A 120 2.678 8.651 -4.971 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.608 10.009 -4.744 1.00 0.00 C ATOM 1836 OH TYR A 120 3.765 10.751 -4.671 1.00 0.00 O ATOM 0 H TYR A 120 -2.669 9.410 -5.944 1.00 0.00 H new ATOM 0 HA TYR A 120 -0.831 7.424 -7.093 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -1.732 8.109 -4.275 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -0.791 6.677 -4.641 1.00 0.00 H new ATOM 0 HD1 TYR A 120 -0.728 10.368 -4.536 1.00 0.00 H new ATOM 0 HD2 TYR A 120 1.572 6.846 -5.221 1.00 0.00 H new ATOM 0 HE1 TYR A 120 1.335 11.692 -4.410 1.00 0.00 H new ATOM 0 HE2 TYR A 120 3.637 8.169 -5.092 1.00 0.00 H new ATOM 0 HH TYR A 120 4.539 10.164 -4.801 1.00 0.00 H new ATOM 1846 N GLU A 121 -2.588 5.726 -7.479 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.536 4.634 -7.664 1.00 0.00 C ATOM 1848 C GLU A 121 -2.831 3.382 -8.179 1.00 0.00 C ATOM 1849 O GLU A 121 -1.846 3.469 -8.913 1.00 0.00 O ATOM 1850 CB GLU A 121 -4.641 5.047 -8.638 1.00 0.00 C ATOM 1851 CG GLU A 121 -5.814 5.743 -7.968 1.00 0.00 C ATOM 1852 CD GLU A 121 -6.525 6.710 -8.893 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.344 6.595 -10.124 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -7.262 7.583 -8.388 1.00 0.00 O ATOM 0 H GLU A 121 -1.875 5.793 -8.206 1.00 0.00 H new ATOM 0 HA GLU A 121 -3.982 4.407 -6.696 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.219 5.710 -9.393 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.004 4.161 -9.159 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.524 4.994 -7.617 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -5.458 6.282 -7.090 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.342 2.220 -7.790 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.760 0.950 -8.209 1.00 0.00 C ATOM 1863 C TYR A 122 -3.849 -0.076 -8.506 1.00 0.00 C ATOM 1864 O TYR A 122 -5.019 0.136 -8.191 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.820 0.414 -7.128 1.00 0.00 C ATOM 1866 CG TYR A 122 -0.886 1.462 -6.564 1.00 0.00 C ATOM 1867 CD1 TYR A 122 0.338 1.725 -7.165 1.00 0.00 C ATOM 1868 CD2 TYR A 122 -1.228 2.187 -5.430 1.00 0.00 C ATOM 1869 CE1 TYR A 122 1.195 2.680 -6.653 1.00 0.00 C ATOM 1870 CE2 TYR A 122 -0.379 3.145 -4.911 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.832 3.388 -5.527 1.00 0.00 C ATOM 1872 OH TYR A 122 1.681 4.341 -5.013 1.00 0.00 O ATOM 0 H TYR A 122 -4.158 2.131 -7.185 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.191 1.124 -9.122 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.415 -0.005 -6.316 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.229 -0.402 -7.544 1.00 0.00 H new ATOM 0 HD1 TYR A 122 0.625 1.173 -8.048 1.00 0.00 H new ATOM 0 HD2 TYR A 122 -2.175 1.998 -4.945 1.00 0.00 H new ATOM 0 HE1 TYR A 122 2.144 2.871 -7.132 1.00 0.00 H new ATOM 0 HE2 TYR A 122 -0.661 3.700 -4.029 1.00 0.00 H new ATOM 0 HH TYR A 122 1.274 4.748 -4.220 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.453 -1.190 -9.114 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.395 -2.250 -9.454 1.00 0.00 C ATOM 1884 C GLU A 123 -3.796 -3.623 -9.166 1.00 0.00 C ATOM 1885 O GLU A 123 -2.867 -4.062 -9.845 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.795 -2.154 -10.928 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.874 -3.145 -11.332 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.998 -3.291 -12.836 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -5.099 -3.903 -13.449 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.996 -2.794 -13.399 1.00 0.00 O ATOM 0 H GLU A 123 -2.487 -1.382 -9.381 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.283 -2.124 -8.835 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -5.146 -1.143 -11.135 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.913 -2.318 -11.547 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.651 -4.118 -10.893 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.831 -2.822 -10.922 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.334 -4.297 -8.155 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.854 -5.621 -7.776 1.00 0.00 C ATOM 1899 C VAL A 124 -3.810 -6.555 -8.981 1.00 0.00 C ATOM 1900 O VAL A 124 -4.844 -6.891 -9.558 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.741 -6.249 -6.686 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -4.196 -7.607 -6.270 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.850 -5.320 -5.487 1.00 0.00 C ATOM 0 H VAL A 124 -5.103 -3.948 -7.583 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.846 -5.492 -7.383 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.740 -6.395 -7.096 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.836 -8.035 -5.499 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.175 -8.271 -7.134 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.186 -7.489 -5.879 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.481 -5.780 -4.726 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.857 -5.140 -5.075 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.290 -4.373 -5.799 1.00 0.00 H new ATOM 1913 N THR A 125 -2.605 -6.972 -9.356 1.00 0.00 N ATOM 1914 CA THR A 125 -2.425 -7.867 -10.492 1.00 0.00 C ATOM 1915 C THR A 125 -1.262 -8.824 -10.259 1.00 0.00 C ATOM 1916 O THR A 125 -0.205 -8.424 -9.774 1.00 0.00 O ATOM 1917 CB THR A 125 -2.175 -7.080 -11.793 1.00 0.00 C ATOM 1918 OG1 THR A 125 -2.067 -7.983 -12.899 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.906 -6.248 -11.686 1.00 0.00 C ATOM 0 H THR A 125 -1.739 -6.704 -8.889 1.00 0.00 H new ATOM 0 HA THR A 125 -3.347 -8.439 -10.593 1.00 0.00 H new ATOM 0 HB THR A 125 -3.019 -6.409 -11.954 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.910 -7.475 -13.722 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.750 -5.701 -12.616 1.00 0.00 H new ATOM 0 HG22 THR A 125 -1.003 -5.542 -10.862 1.00 0.00 H new ATOM 0 HG23 THR A 125 -0.055 -6.904 -11.504 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.465 -10.091 -10.609 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.432 -11.105 -10.437 1.00 0.00 C ATOM 1929 C GLU A 126 0.415 -11.238 -11.700 1.00 0.00 C ATOM 1930 O GLU A 126 -0.062 -11.706 -12.733 1.00 0.00 O ATOM 1931 CB GLU A 126 -1.063 -12.454 -10.089 1.00 0.00 C ATOM 1932 CG GLU A 126 -0.159 -13.354 -9.263 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.732 -14.746 -9.080 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.888 -14.972 -9.493 1.00 0.00 O ATOM 1935 OE2 GLU A 126 -0.023 -15.610 -8.523 1.00 0.00 O ATOM 0 H GLU A 126 -2.335 -10.439 -11.013 1.00 0.00 H new ATOM 0 HA GLU A 126 0.215 -10.793 -9.617 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.989 -12.282 -9.541 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -1.330 -12.970 -11.012 1.00 0.00 H new ATOM 0 HG2 GLU A 126 0.815 -13.427 -9.747 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.004 -12.901 -8.285 1.00 0.00 H new ATOM 1942 N GLU A 127 1.675 -10.822 -11.607 1.00 0.00 N ATOM 1943 CA GLU A 127 2.587 -10.894 -12.742 1.00 0.00 C ATOM 1944 C GLU A 127 3.917 -11.522 -12.332 1.00 0.00 C ATOM 1945 O GLU A 127 4.309 -11.465 -11.167 1.00 0.00 O ATOM 1946 CB GLU A 127 2.827 -9.498 -13.321 1.00 0.00 C ATOM 1947 CG GLU A 127 1.548 -8.721 -13.585 1.00 0.00 C ATOM 1948 CD GLU A 127 1.391 -8.333 -15.042 1.00 0.00 C ATOM 1949 OE1 GLU A 127 1.097 -9.224 -15.866 1.00 0.00 O ATOM 1950 OE2 GLU A 127 1.563 -7.137 -15.359 1.00 0.00 O ATOM 0 H GLU A 127 2.086 -10.432 -10.759 1.00 0.00 H new ATOM 0 HA GLU A 127 2.128 -11.522 -13.505 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.451 -8.930 -12.631 1.00 0.00 H new ATOM 0 HB3 GLU A 127 3.385 -9.591 -14.253 1.00 0.00 H new ATOM 0 HG2 GLU A 127 0.692 -9.323 -13.279 1.00 0.00 H new ATOM 0 HG3 GLU A 127 1.541 -7.821 -12.970 1.00 0.00 H new ATOM 1957 N ASP A 128 4.604 -12.120 -13.299 1.00 0.00 N ATOM 1958 CA ASP A 128 5.889 -12.759 -13.040 1.00 0.00 C ATOM 1959 C ASP A 128 6.951 -11.721 -12.690 1.00 0.00 C ATOM 1960 O ASP A 128 6.872 -10.569 -13.118 1.00 0.00 O ATOM 1961 CB ASP A 128 6.334 -13.570 -14.258 1.00 0.00 C ATOM 1962 CG ASP A 128 5.388 -14.713 -14.569 1.00 0.00 C ATOM 1963 OD1 ASP A 128 5.568 -15.805 -13.991 1.00 0.00 O ATOM 1964 OD2 ASP A 128 4.468 -14.516 -15.391 1.00 0.00 O ATOM 0 H ASP A 128 4.293 -12.176 -14.269 1.00 0.00 H new ATOM 0 HA ASP A 128 5.768 -13.431 -12.190 1.00 0.00 H new ATOM 0 HB2 ASP A 128 6.401 -12.912 -15.124 1.00 0.00 H new ATOM 0 HB3 ASP A 128 7.333 -13.967 -14.081 1.00 0.00 H new ATOM 1969 N TRP A 129 7.941 -12.136 -11.909 1.00 0.00 N ATOM 1970 CA TRP A 129 9.018 -11.241 -11.500 1.00 0.00 C ATOM 1971 C TRP A 129 9.731 -10.657 -12.714 1.00 0.00 C ATOM 1972 O TRP A 129 10.180 -9.512 -12.689 1.00 0.00 O ATOM 1973 CB TRP A 129 10.019 -11.986 -10.614 1.00 0.00 C ATOM 1974 CG TRP A 129 11.321 -11.262 -10.451 1.00 0.00 C ATOM 1975 CD1 TRP A 129 12.507 -11.561 -11.059 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.569 -10.119 -9.625 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.477 -10.673 -10.660 1.00 0.00 N ATOM 1978 CE2 TRP A 129 12.927 -9.778 -9.781 1.00 0.00 C ATOM 1979 CE3 TRP A 129 10.775 -9.349 -8.771 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.505 -8.702 -9.113 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.351 -8.282 -8.108 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.705 -7.966 -8.283 1.00 0.00 C ATOM 0 H TRP A 129 8.021 -13.086 -11.546 1.00 0.00 H new ATOM 0 HA TRP A 129 8.580 -10.421 -10.931 1.00 0.00 H new ATOM 0 HB2 TRP A 129 9.575 -12.146 -9.632 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.210 -12.970 -11.042 1.00 0.00 H new ATOM 0 HD1 TRP A 129 12.660 -12.376 -11.751 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.449 -10.679 -10.969 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.730 -9.584 -8.632 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.548 -8.457 -9.246 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.747 -7.681 -7.444 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.125 -7.125 -7.752 1.00 0.00 H new ATOM 1993 N GLU A 130 9.831 -11.451 -13.775 1.00 0.00 N ATOM 1994 CA GLU A 130 10.491 -11.011 -14.999 1.00 0.00 C ATOM 1995 C GLU A 130 9.632 -9.994 -15.745 1.00 0.00 C ATOM 1996 O GLU A 130 10.067 -9.401 -16.732 1.00 0.00 O ATOM 1997 CB GLU A 130 10.786 -12.208 -15.905 1.00 0.00 C ATOM 1998 CG GLU A 130 11.418 -13.382 -15.176 1.00 0.00 C ATOM 1999 CD GLU A 130 12.644 -13.920 -15.889 1.00 0.00 C ATOM 2000 OE1 GLU A 130 12.484 -14.527 -16.969 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.763 -13.732 -15.368 1.00 0.00 O ATOM 0 H GLU A 130 9.464 -12.402 -13.812 1.00 0.00 H new ATOM 0 HA GLU A 130 11.431 -10.534 -14.723 1.00 0.00 H new ATOM 0 HB2 GLU A 130 9.857 -12.538 -16.371 1.00 0.00 H new ATOM 0 HB3 GLU A 130 11.450 -11.890 -16.708 1.00 0.00 H new ATOM 0 HG2 GLU A 130 11.695 -13.073 -14.168 1.00 0.00 H new ATOM 0 HG3 GLU A 130 10.682 -14.180 -15.074 1.00 0.00 H new ATOM 2008 N THR A 131 8.408 -9.798 -15.265 1.00 0.00 N ATOM 2009 CA THR A 131 7.486 -8.855 -15.886 1.00 0.00 C ATOM 2010 C THR A 131 7.469 -7.528 -15.136 1.00 0.00 C ATOM 2011 O THR A 131 7.287 -6.468 -15.735 1.00 0.00 O ATOM 2012 CB THR A 131 6.054 -9.421 -15.938 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.033 -10.629 -16.706 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.095 -8.409 -16.547 1.00 0.00 C ATOM 0 H THR A 131 8.032 -10.280 -14.448 1.00 0.00 H new ATOM 0 HA THR A 131 7.841 -8.690 -16.903 1.00 0.00 H new ATOM 0 HB THR A 131 5.733 -9.634 -14.918 1.00 0.00 H new ATOM 0 HG1 THR A 131 5.120 -10.984 -16.733 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.090 -8.830 -16.574 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.092 -7.501 -15.943 1.00 0.00 H new ATOM 0 HG23 THR A 131 5.415 -8.169 -17.561 1.00 0.00 H new ATOM 2022 N ILE A 132 7.659 -7.594 -13.822 1.00 0.00 N ATOM 2023 CA ILE A 132 7.667 -6.396 -12.991 1.00 0.00 C ATOM 2024 C ILE A 132 9.090 -5.913 -12.737 1.00 0.00 C ATOM 2025 O ILE A 132 9.306 -4.771 -12.331 1.00 0.00 O ATOM 2026 CB ILE A 132 6.972 -6.645 -11.639 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.593 -7.271 -11.857 1.00 0.00 C ATOM 2028 CG2 ILE A 132 6.852 -5.344 -10.859 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.083 -8.041 -10.659 1.00 0.00 C ATOM 0 H ILE A 132 7.809 -8.464 -13.311 1.00 0.00 H new ATOM 0 HA ILE A 132 7.118 -5.629 -13.537 1.00 0.00 H new ATOM 0 HB ILE A 132 7.578 -7.340 -11.058 1.00 0.00 H new ATOM 0 HG12 ILE A 132 4.880 -6.484 -12.103 1.00 0.00 H new ATOM 0 HG13 ILE A 132 5.638 -7.940 -12.716 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.359 -5.535 -9.906 1.00 0.00 H new ATOM 0 HG22 ILE A 132 7.846 -4.935 -10.678 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.265 -4.628 -11.434 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.101 -8.457 -10.885 1.00 0.00 H new ATOM 0 HD12 ILE A 132 5.775 -8.850 -10.425 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.005 -7.371 -9.802 1.00 0.00 H new ATOM 2041 N TYR A 133 10.059 -6.789 -12.980 1.00 0.00 N ATOM 2042 CA TYR A 133 11.463 -6.452 -12.777 1.00 0.00 C ATOM 2043 C TYR A 133 11.836 -5.186 -13.543 1.00 0.00 C ATOM 2044 O TYR A 133 12.325 -4.209 -12.977 1.00 0.00 O ATOM 2045 CB TYR A 133 12.356 -7.612 -13.220 1.00 0.00 C ATOM 2046 CG TYR A 133 13.724 -7.175 -13.695 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.508 -6.322 -12.929 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.232 -7.617 -14.911 1.00 0.00 C ATOM 2049 CE1 TYR A 133 15.757 -5.920 -13.360 1.00 0.00 C ATOM 2050 CE2 TYR A 133 15.481 -7.221 -15.349 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.240 -6.372 -14.570 1.00 0.00 C ATOM 2052 OH TYR A 133 17.485 -5.975 -15.002 1.00 0.00 O ATOM 0 H TYR A 133 9.898 -7.738 -13.318 1.00 0.00 H new ATOM 0 HA TYR A 133 11.617 -6.269 -11.713 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.474 -8.307 -12.389 1.00 0.00 H new ATOM 0 HB3 TYR A 133 11.859 -8.157 -14.023 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.134 -5.967 -11.980 1.00 0.00 H new ATOM 0 HD2 TYR A 133 13.640 -8.281 -15.524 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.353 -5.255 -12.752 1.00 0.00 H new ATOM 0 HE2 TYR A 133 15.861 -7.574 -16.296 1.00 0.00 H new ATOM 0 HH TYR A 133 17.675 -6.384 -15.872 1.00 0.00 H new ATOM 2062 N PRO A 134 11.598 -5.204 -14.863 1.00 0.00 N ATOM 2063 CA PRO A 134 11.900 -4.066 -15.737 1.00 0.00 C ATOM 2064 C PRO A 134 11.298 -2.763 -15.221 1.00 0.00 C ATOM 2065 O PRO A 134 11.975 -1.736 -15.161 1.00 0.00 O ATOM 2066 CB PRO A 134 11.257 -4.461 -17.069 1.00 0.00 C ATOM 2067 CG PRO A 134 11.242 -5.950 -17.055 1.00 0.00 C ATOM 2068 CD PRO A 134 11.017 -6.335 -15.605 1.00 0.00 C ATOM 0 HA PRO A 134 12.971 -3.877 -15.804 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.249 -4.056 -17.158 1.00 0.00 H new ATOM 0 HB3 PRO A 134 11.830 -4.079 -17.914 1.00 0.00 H new ATOM 0 HG2 PRO A 134 10.450 -6.341 -17.693 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.182 -6.356 -17.428 1.00 0.00 H new ATOM 0 HD2 PRO A 134 9.958 -6.462 -15.382 1.00 0.00 H new ATOM 0 HD3 PRO A 134 11.510 -7.275 -15.357 1.00 0.00 H new ATOM 2076 N CYS A 135 10.024 -2.813 -14.848 1.00 0.00 N ATOM 2077 CA CYS A 135 9.331 -1.635 -14.337 1.00 0.00 C ATOM 2078 C CYS A 135 9.006 -1.796 -12.855 1.00 0.00 C ATOM 2079 O CYS A 135 7.840 -1.787 -12.459 1.00 0.00 O ATOM 2080 CB CYS A 135 8.046 -1.390 -15.129 1.00 0.00 C ATOM 2081 SG CYS A 135 8.276 -1.377 -16.922 1.00 0.00 S ATOM 0 H CYS A 135 9.450 -3.655 -14.890 1.00 0.00 H new ATOM 0 HA CYS A 135 9.991 -0.776 -14.455 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.321 -2.162 -14.872 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.618 -0.436 -14.821 1.00 0.00 H new ATOM 0 HG CYS A 135 7.133 -1.165 -17.505 1.00 0.00 H new ATOM 2087 N LEU A 136 10.045 -1.946 -12.040 1.00 0.00 N ATOM 2088 CA LEU A 136 9.871 -2.111 -10.601 1.00 0.00 C ATOM 2089 C LEU A 136 9.763 -0.757 -9.907 1.00 0.00 C ATOM 2090 O LEU A 136 10.056 0.281 -10.500 1.00 0.00 O ATOM 2091 CB LEU A 136 11.038 -2.906 -10.015 1.00 0.00 C ATOM 2092 CG LEU A 136 10.703 -4.304 -9.493 1.00 0.00 C ATOM 2093 CD1 LEU A 136 11.920 -4.934 -8.834 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.536 -4.244 -8.518 1.00 0.00 C ATOM 0 H LEU A 136 11.016 -1.957 -12.351 1.00 0.00 H new ATOM 0 HA LEU A 136 8.944 -2.660 -10.432 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.808 -3.001 -10.781 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.471 -2.329 -9.198 1.00 0.00 H new ATOM 0 HG LEU A 136 10.411 -4.926 -10.339 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.662 -5.928 -8.469 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.728 -5.013 -9.562 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.244 -4.313 -7.999 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.312 -5.248 -8.157 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.799 -3.605 -7.675 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.660 -3.836 -9.023 1.00 0.00 H new ATOM 2106 N SER A 137 9.343 -0.776 -8.646 1.00 0.00 N ATOM 2107 CA SER A 137 9.196 0.450 -7.871 1.00 0.00 C ATOM 2108 C SER A 137 10.328 0.592 -6.858 1.00 0.00 C ATOM 2109 O SER A 137 10.999 -0.375 -6.500 1.00 0.00 O ATOM 2110 CB SER A 137 7.846 0.463 -7.150 1.00 0.00 C ATOM 2111 OG SER A 137 7.994 0.868 -5.799 1.00 0.00 O ATOM 0 H SER A 137 9.099 -1.627 -8.140 1.00 0.00 H new ATOM 0 HA SER A 137 9.241 1.294 -8.560 1.00 0.00 H new ATOM 0 HB2 SER A 137 7.162 1.139 -7.663 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.400 -0.531 -7.188 1.00 0.00 H new ATOM 0 HG SER A 137 7.660 0.162 -5.207 1.00 0.00 H new ATOM 2117 N PRO A 138 10.546 1.829 -6.386 1.00 0.00 N ATOM 2118 CA PRO A 138 11.596 2.128 -5.408 1.00 0.00 C ATOM 2119 C PRO A 138 11.288 1.550 -4.031 1.00 0.00 C ATOM 2120 O PRO A 138 10.195 1.742 -3.496 1.00 0.00 O ATOM 2121 CB PRO A 138 11.606 3.658 -5.356 1.00 0.00 C ATOM 2122 CG PRO A 138 10.233 4.060 -5.772 1.00 0.00 C ATOM 2123 CD PRO A 138 9.784 3.029 -6.769 1.00 0.00 C ATOM 0 HA PRO A 138 12.553 1.691 -5.691 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.838 4.019 -4.354 1.00 0.00 H new ATOM 0 HB3 PRO A 138 12.360 4.072 -6.026 1.00 0.00 H new ATOM 0 HG2 PRO A 138 9.560 4.094 -4.915 1.00 0.00 H new ATOM 0 HG3 PRO A 138 10.235 5.056 -6.215 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.709 2.857 -6.713 1.00 0.00 H new ATOM 0 HD3 PRO A 138 10.005 3.336 -7.791 1.00 0.00 H new ATOM 2131 N LYS A 139 12.257 0.843 -3.460 1.00 0.00 N ATOM 2132 CA LYS A 139 12.091 0.238 -2.144 1.00 0.00 C ATOM 2133 C LYS A 139 13.040 0.870 -1.131 1.00 0.00 C ATOM 2134 O LYS A 139 14.128 1.325 -1.486 1.00 0.00 O ATOM 2135 CB LYS A 139 12.337 -1.270 -2.219 1.00 0.00 C ATOM 2136 CG LYS A 139 11.175 -2.048 -2.811 1.00 0.00 C ATOM 2137 CD LYS A 139 11.538 -3.506 -3.040 1.00 0.00 C ATOM 2138 CE LYS A 139 11.203 -4.361 -1.828 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.764 -5.735 -1.946 1.00 0.00 N ATOM 0 H LYS A 139 13.167 0.675 -3.889 1.00 0.00 H new ATOM 0 HA LYS A 139 11.067 0.417 -1.816 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.229 -1.455 -2.817 1.00 0.00 H new ATOM 0 HB3 LYS A 139 12.542 -1.646 -1.217 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.317 -1.987 -2.142 1.00 0.00 H new ATOM 0 HG3 LYS A 139 10.876 -1.594 -3.756 1.00 0.00 H new ATOM 0 HD2 LYS A 139 11.003 -3.883 -3.911 1.00 0.00 H new ATOM 0 HD3 LYS A 139 12.602 -3.587 -3.260 1.00 0.00 H new ATOM 0 HE2 LYS A 139 11.594 -3.885 -0.929 1.00 0.00 H new ATOM 0 HE3 LYS A 139 10.121 -4.419 -1.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 11.514 -6.286 -1.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 11.372 -6.199 -2.790 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 12.799 -5.681 -2.030 1.00 0.00 H new ATOM 2153 N SER A 140 12.623 0.892 0.130 1.00 0.00 N ATOM 2154 CA SER A 140 13.436 1.470 1.194 1.00 0.00 C ATOM 2155 C SER A 140 13.741 0.431 2.269 1.00 0.00 C ATOM 2156 O SER A 140 12.856 0.015 3.016 1.00 0.00 O ATOM 2157 CB SER A 140 12.720 2.670 1.817 1.00 0.00 C ATOM 2158 OG SER A 140 13.281 3.001 3.076 1.00 0.00 O ATOM 0 H SER A 140 11.727 0.516 0.441 1.00 0.00 H new ATOM 0 HA SER A 140 14.378 1.804 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.790 3.527 1.147 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.660 2.444 1.936 1.00 0.00 H new ATOM 0 HG SER A 140 12.613 3.470 3.618 1.00 0.00 H new