USER MOD reduce.3.24.130724 H: found=0, std=0, add=956, rem=0, adj=28 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= -0.803 K(o=-0.34,f=-7.6!) USER MOD Set 1.2: A 125 THR OG1 : rot 180:sc= 0.46 USER MOD Single : A 17 SER OG : rot 24:sc= 0.0192 USER MOD Single : A 19 CYS SG : rot -36:sc= -0.048 USER MOD Single : A 25 MET CE :methyl -151:sc= -1.65 (180deg=-4.07!) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 36 CYS SG : rot 116:sc= 0.237 USER MOD Single : A 39 THR OG1 : rot -170:sc= -0.001 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -175:sc= -0.267 USER MOD Single : A 49 GLN : amide:sc= -0.376 X(o=-0.38,f=-0.57) USER MOD Single : A 52 SER OG : rot -166:sc= 0.0665 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 CYS SG : rot 145:sc= 0.0588 USER MOD Single : A 58 MET CE :methyl -172:sc= -0.431 (180deg=-0.532) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 ASN : amide:sc= -1.17 K(o=-1.2,f=-5.7!) USER MOD Single : A 63 HIS : no HD1:sc= -0.836 K(o=-0.84,f=-2.9!) USER MOD Single : A 64 CYS SG : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -1.01 K(o=-1,f=-5.2!) USER MOD Single : A 69 ASN : amide:sc= -0.104 K(o=-0.1,f=-11!) USER MOD Single : A 73 GLN : amide:sc= -0.608 K(o=-0.61,f=-3.4!) USER MOD Single : A 75 THR OG1 : rot 18:sc= 0.723 USER MOD Single : A 77 MET CE :methyl -135:sc= -1.18 (180deg=-3.4!) USER MOD Single : A 79 ASN : amide:sc=-0.00178 K(o=-0.0018,f=-1.2) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 70:sc= 0.0426 USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=-0.0011) USER MOD Single : A 88 ASN : amide:sc= -1.68 K(o=-1.7,f=-7.9!) USER MOD Single : A 98 TYR OH : rot 130:sc= 0 USER MOD Single : A 99 SER OG : rot 180:sc= 0.115 USER MOD Single : A 101 HIS : no HD1:sc= -0.877 X(o=-0.88,f=-0.61) USER MOD Single : A 105 TYR OH : rot 180:sc= 0 USER MOD Single : A 107 GLN :FLIP amide:sc= -0.538 F(o=-2.3,f=-0.54) USER MOD Single : A 120 TYR OH : rot 30:sc= -0.579 USER MOD Single : A 122 TYR OH : rot 180:sc= -0.731 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 -91:sc= 0.223 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 140 SER OG : rot 61:sc= 0.0461 USER MOD ----------------------------------------------------------------- ATOM 156 N GLY A 15 8.998 -17.983 -9.231 1.00 0.00 N ATOM 157 CA GLY A 15 7.632 -18.000 -9.721 1.00 0.00 C ATOM 158 C GLY A 15 7.042 -16.609 -9.842 1.00 0.00 C ATOM 159 O GLY A 15 7.771 -15.617 -9.847 1.00 0.00 O ATOM 0 HA2 GLY A 15 7.605 -18.489 -10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 15 7.015 -18.596 -9.048 1.00 0.00 H new ATOM 163 N ARG A 16 5.719 -16.536 -9.943 1.00 0.00 N ATOM 164 CA ARG A 16 5.032 -15.256 -10.068 1.00 0.00 C ATOM 165 C ARG A 16 5.102 -14.471 -8.762 1.00 0.00 C ATOM 166 O ARG A 16 5.316 -15.043 -7.693 1.00 0.00 O ATOM 167 CB ARG A 16 3.571 -15.474 -10.466 1.00 0.00 C ATOM 168 CG ARG A 16 3.289 -15.184 -11.931 1.00 0.00 C ATOM 169 CD ARG A 16 2.411 -16.258 -12.553 1.00 0.00 C ATOM 170 NE ARG A 16 2.453 -16.223 -14.013 1.00 0.00 N ATOM 171 CZ ARG A 16 1.780 -17.066 -14.788 1.00 0.00 C ATOM 172 NH1 ARG A 16 1.016 -18.004 -14.246 1.00 0.00 N ATOM 173 NH2 ARG A 16 1.870 -16.970 -16.108 1.00 0.00 N ATOM 0 H ARG A 16 5.101 -17.348 -9.941 1.00 0.00 H new ATOM 0 HA ARG A 16 5.532 -14.679 -10.846 1.00 0.00 H new ATOM 0 HB2 ARG A 16 3.294 -16.506 -10.249 1.00 0.00 H new ATOM 0 HB3 ARG A 16 2.936 -14.837 -9.850 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.800 -14.214 -12.023 1.00 0.00 H new ATOM 0 HG3 ARG A 16 4.230 -15.120 -12.478 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.736 -17.238 -12.205 1.00 0.00 H new ATOM 0 HD3 ARG A 16 1.383 -16.125 -12.217 1.00 0.00 H new ATOM 0 HE ARG A 16 3.031 -15.512 -14.462 1.00 0.00 H new ATOM 0 HH11 ARG A 16 0.944 -18.080 -13.231 1.00 0.00 H new ATOM 0 HH12 ARG A 16 0.500 -18.650 -14.844 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.456 -16.249 -16.528 1.00 0.00 H new ATOM 0 HH22 ARG A 16 1.353 -17.618 -16.703 1.00 0.00 H new ATOM 187 N SER A 17 4.922 -13.157 -8.856 1.00 0.00 N ATOM 188 CA SER A 17 4.969 -12.293 -7.682 1.00 0.00 C ATOM 189 C SER A 17 3.966 -11.151 -7.808 1.00 0.00 C ATOM 190 O SER A 17 4.142 -10.242 -8.620 1.00 0.00 O ATOM 191 CB SER A 17 6.379 -11.730 -7.494 1.00 0.00 C ATOM 192 OG SER A 17 7.182 -12.610 -6.727 1.00 0.00 O ATOM 0 H SER A 17 4.742 -12.668 -9.733 1.00 0.00 H new ATOM 0 HA SER A 17 4.705 -12.891 -6.810 1.00 0.00 H new ATOM 0 HB2 SER A 17 6.841 -11.566 -8.467 1.00 0.00 H new ATOM 0 HB3 SER A 17 6.324 -10.760 -7.000 1.00 0.00 H new ATOM 0 HG SER A 17 6.832 -13.522 -6.803 1.00 0.00 H new ATOM 198 N TRP A 18 2.914 -11.204 -6.999 1.00 0.00 N ATOM 199 CA TRP A 18 1.881 -10.174 -7.019 1.00 0.00 C ATOM 200 C TRP A 18 2.495 -8.785 -6.883 1.00 0.00 C ATOM 201 O TRP A 18 3.670 -8.647 -6.541 1.00 0.00 O ATOM 202 CB TRP A 18 0.873 -10.412 -5.894 1.00 0.00 C ATOM 203 CG TRP A 18 0.008 -11.616 -6.116 1.00 0.00 C ATOM 204 CD1 TRP A 18 0.340 -12.919 -5.876 1.00 0.00 C ATOM 205 CD2 TRP A 18 -1.330 -11.627 -6.625 1.00 0.00 C ATOM 206 NE1 TRP A 18 -0.712 -13.739 -6.204 1.00 0.00 N ATOM 207 CE2 TRP A 18 -1.749 -12.972 -6.665 1.00 0.00 C ATOM 208 CE3 TRP A 18 -2.216 -10.633 -7.048 1.00 0.00 C ATOM 209 CZ2 TRP A 18 -3.013 -13.344 -7.113 1.00 0.00 C ATOM 210 CZ3 TRP A 18 -3.471 -11.004 -7.493 1.00 0.00 C ATOM 211 CH2 TRP A 18 -3.860 -12.350 -7.522 1.00 0.00 C ATOM 0 H TRP A 18 2.754 -11.949 -6.321 1.00 0.00 H new ATOM 0 HA TRP A 18 1.365 -10.230 -7.977 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.411 -10.528 -4.953 1.00 0.00 H new ATOM 0 HB3 TRP A 18 0.239 -9.532 -5.792 1.00 0.00 H new ATOM 0 HD1 TRP A 18 1.289 -13.255 -5.486 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -0.720 -14.755 -6.118 1.00 0.00 H new ATOM 0 HE3 TRP A 18 -1.925 -9.593 -7.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -3.315 -14.381 -7.137 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -4.163 -10.244 -7.824 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -4.848 -12.608 -7.874 1.00 0.00 H new ATOM 222 N CYS A 19 1.694 -7.760 -7.153 1.00 0.00 N ATOM 223 CA CYS A 19 2.160 -6.381 -7.061 1.00 0.00 C ATOM 224 C CYS A 19 1.000 -5.404 -7.220 1.00 0.00 C ATOM 225 O CYS A 19 -0.156 -5.810 -7.344 1.00 0.00 O ATOM 226 CB CYS A 19 3.223 -6.108 -8.127 1.00 0.00 C ATOM 227 SG CYS A 19 2.574 -6.021 -9.812 1.00 0.00 S ATOM 0 H CYS A 19 0.719 -7.858 -7.437 1.00 0.00 H new ATOM 0 HA CYS A 19 2.600 -6.237 -6.074 1.00 0.00 H new ATOM 0 HB2 CYS A 19 3.724 -5.168 -7.893 1.00 0.00 H new ATOM 0 HB3 CYS A 19 3.979 -6.892 -8.080 1.00 0.00 H new ATOM 0 HG CYS A 19 1.617 -6.890 -9.954 1.00 0.00 H new ATOM 233 N LEU A 20 1.316 -4.113 -7.214 1.00 0.00 N ATOM 234 CA LEU A 20 0.299 -3.076 -7.356 1.00 0.00 C ATOM 235 C LEU A 20 0.589 -2.192 -8.565 1.00 0.00 C ATOM 236 O LEU A 20 1.078 -1.072 -8.424 1.00 0.00 O ATOM 237 CB LEU A 20 0.234 -2.222 -6.089 1.00 0.00 C ATOM 238 CG LEU A 20 -0.011 -2.977 -4.783 1.00 0.00 C ATOM 239 CD1 LEU A 20 0.176 -2.053 -3.589 1.00 0.00 C ATOM 240 CD2 LEU A 20 -1.405 -3.587 -4.773 1.00 0.00 C ATOM 0 H LEU A 20 2.267 -3.760 -7.112 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.664 -3.563 -7.508 1.00 0.00 H new ATOM 0 HB2 LEU A 20 1.171 -1.672 -5.997 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.558 -1.484 -6.213 1.00 0.00 H new ATOM 0 HG LEU A 20 0.718 -3.784 -4.710 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.003 -2.608 -2.668 1.00 0.00 H new ATOM 0 HD12 LEU A 20 1.194 -1.663 -3.586 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.529 -1.225 -3.656 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.562 -4.121 -3.836 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.149 -2.796 -4.869 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.504 -4.282 -5.607 1.00 0.00 H new ATOM 252 N ARG A 21 0.281 -2.704 -9.753 1.00 0.00 N ATOM 253 CA ARG A 21 0.507 -1.960 -10.987 1.00 0.00 C ATOM 254 C ARG A 21 -0.112 -0.568 -10.903 1.00 0.00 C ATOM 255 O ARG A 21 -1.334 -0.421 -10.877 1.00 0.00 O ATOM 256 CB ARG A 21 -0.078 -2.720 -12.179 1.00 0.00 C ATOM 257 CG ARG A 21 0.551 -2.342 -13.510 1.00 0.00 C ATOM 258 CD ARG A 21 -0.237 -2.909 -14.680 1.00 0.00 C ATOM 259 NE ARG A 21 -1.399 -2.086 -15.007 1.00 0.00 N ATOM 260 CZ ARG A 21 -2.083 -2.198 -16.140 1.00 0.00 C ATOM 261 NH1 ARG A 21 -1.724 -3.094 -17.049 1.00 0.00 N ATOM 262 NH2 ARG A 21 -3.129 -1.413 -16.365 1.00 0.00 N ATOM 0 H ARG A 21 -0.125 -3.630 -9.887 1.00 0.00 H new ATOM 0 HA ARG A 21 1.583 -1.852 -11.126 1.00 0.00 H new ATOM 0 HB2 ARG A 21 0.052 -3.790 -12.016 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.151 -2.533 -12.227 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.600 -1.256 -13.595 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.576 -2.711 -13.547 1.00 0.00 H new ATOM 0 HD2 ARG A 21 0.412 -2.983 -15.553 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.565 -3.920 -14.440 1.00 0.00 H new ATOM 0 HE ARG A 21 -1.701 -1.387 -14.328 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -0.921 -3.699 -16.879 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -2.251 -3.178 -17.918 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -3.408 -0.723 -15.668 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -3.654 -1.500 -17.235 1.00 0.00 H new ATOM 276 N ARG A 22 0.741 0.451 -10.861 1.00 0.00 N ATOM 277 CA ARG A 22 0.278 1.831 -10.779 1.00 0.00 C ATOM 278 C ARG A 22 -0.647 2.165 -11.945 1.00 0.00 C ATOM 279 O ARG A 22 -0.342 1.864 -13.100 1.00 0.00 O ATOM 280 CB ARG A 22 1.469 2.791 -10.769 1.00 0.00 C ATOM 281 CG ARG A 22 1.073 4.252 -10.630 1.00 0.00 C ATOM 282 CD ARG A 22 0.897 4.645 -9.172 1.00 0.00 C ATOM 283 NE ARG A 22 1.153 6.066 -8.953 1.00 0.00 N ATOM 284 CZ ARG A 22 2.369 6.581 -8.817 1.00 0.00 C ATOM 285 NH1 ARG A 22 3.436 5.796 -8.876 1.00 0.00 N ATOM 286 NH2 ARG A 22 2.521 7.885 -8.621 1.00 0.00 N ATOM 0 H ARG A 22 1.755 0.347 -10.882 1.00 0.00 H new ATOM 0 HA ARG A 22 -0.281 1.945 -9.850 1.00 0.00 H new ATOM 0 HB2 ARG A 22 2.133 2.524 -9.947 1.00 0.00 H new ATOM 0 HB3 ARG A 22 2.036 2.663 -11.691 1.00 0.00 H new ATOM 0 HG2 ARG A 22 1.835 4.882 -11.088 1.00 0.00 H new ATOM 0 HG3 ARG A 22 0.144 4.431 -11.171 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -0.117 4.406 -8.852 1.00 0.00 H new ATOM 0 HD3 ARG A 22 1.574 4.055 -8.553 1.00 0.00 H new ATOM 0 HE ARG A 22 0.354 6.697 -8.902 1.00 0.00 H new ATOM 0 HH11 ARG A 22 3.324 4.793 -9.026 1.00 0.00 H new ATOM 0 HH12 ARG A 22 4.369 6.195 -8.771 1.00 0.00 H new ATOM 0 HH21 ARG A 22 1.703 8.493 -8.575 1.00 0.00 H new ATOM 0 HH22 ARG A 22 3.456 8.279 -8.517 1.00 0.00 H new ATOM 300 N VAL A 23 -1.781 2.787 -11.636 1.00 0.00 N ATOM 301 CA VAL A 23 -2.751 3.162 -12.658 1.00 0.00 C ATOM 302 C VAL A 23 -2.290 4.395 -13.426 1.00 0.00 C ATOM 303 O VAL A 23 -1.829 5.371 -12.836 1.00 0.00 O ATOM 304 CB VAL A 23 -4.135 3.441 -12.042 1.00 0.00 C ATOM 305 CG1 VAL A 23 -5.129 3.839 -13.122 1.00 0.00 C ATOM 306 CG2 VAL A 23 -4.630 2.226 -11.272 1.00 0.00 C ATOM 0 H VAL A 23 -2.050 3.042 -10.686 1.00 0.00 H new ATOM 0 HA VAL A 23 -2.831 2.319 -13.344 1.00 0.00 H new ATOM 0 HB VAL A 23 -4.042 4.272 -11.343 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -6.101 4.032 -12.668 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.778 4.740 -13.625 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -5.221 3.031 -13.847 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -5.609 2.441 -10.844 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -4.709 1.374 -11.948 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -3.928 1.991 -10.472 1.00 0.00 H new ATOM 316 N GLY A 24 -2.420 4.344 -14.749 1.00 0.00 N ATOM 317 CA GLY A 24 -2.013 5.464 -15.577 1.00 0.00 C ATOM 318 C GLY A 24 -0.506 5.603 -15.665 1.00 0.00 C ATOM 319 O GLY A 24 0.005 6.653 -16.052 1.00 0.00 O ATOM 0 H GLY A 24 -2.800 3.548 -15.261 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -2.422 5.338 -16.579 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -2.437 6.383 -15.173 1.00 0.00 H new ATOM 323 N MET A 25 0.207 4.541 -15.304 1.00 0.00 N ATOM 324 CA MET A 25 1.664 4.550 -15.343 1.00 0.00 C ATOM 325 C MET A 25 2.217 3.128 -15.348 1.00 0.00 C ATOM 326 O MET A 25 1.720 2.257 -14.635 1.00 0.00 O ATOM 327 CB MET A 25 2.224 5.323 -14.147 1.00 0.00 C ATOM 328 CG MET A 25 2.813 6.674 -14.518 1.00 0.00 C ATOM 329 SD MET A 25 4.158 7.169 -13.424 1.00 0.00 S ATOM 330 CE MET A 25 3.458 6.768 -11.825 1.00 0.00 C ATOM 0 H MET A 25 -0.201 3.664 -14.981 1.00 0.00 H new ATOM 0 HA MET A 25 1.974 5.045 -16.263 1.00 0.00 H new ATOM 0 HB2 MET A 25 1.429 5.471 -13.416 1.00 0.00 H new ATOM 0 HB3 MET A 25 2.993 4.721 -13.664 1.00 0.00 H new ATOM 0 HG2 MET A 25 3.179 6.637 -15.544 1.00 0.00 H new ATOM 0 HG3 MET A 25 2.028 7.429 -14.487 1.00 0.00 H new ATOM 0 HE1 MET A 25 3.873 7.435 -11.069 1.00 0.00 H new ATOM 0 HE2 MET A 25 2.375 6.889 -11.861 1.00 0.00 H new ATOM 0 HE3 MET A 25 3.699 5.736 -11.571 1.00 0.00 H new ATOM 340 N SER A 26 3.247 2.901 -16.157 1.00 0.00 N ATOM 341 CA SER A 26 3.864 1.584 -16.258 1.00 0.00 C ATOM 342 C SER A 26 5.069 1.476 -15.329 1.00 0.00 C ATOM 343 O SER A 26 5.929 0.614 -15.507 1.00 0.00 O ATOM 344 CB SER A 26 4.291 1.306 -17.700 1.00 0.00 C ATOM 345 OG SER A 26 4.182 -0.073 -18.008 1.00 0.00 O ATOM 0 H SER A 26 3.672 3.612 -16.752 1.00 0.00 H new ATOM 0 HA SER A 26 3.126 0.841 -15.956 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.670 1.885 -18.384 1.00 0.00 H new ATOM 0 HB3 SER A 26 5.320 1.634 -17.848 1.00 0.00 H new ATOM 0 HG SER A 26 4.459 -0.224 -18.936 1.00 0.00 H new ATOM 351 N ALA A 27 5.124 2.358 -14.336 1.00 0.00 N ATOM 352 CA ALA A 27 6.222 2.362 -13.377 1.00 0.00 C ATOM 353 C ALA A 27 5.700 2.420 -11.945 1.00 0.00 C ATOM 354 O ALA A 27 4.496 2.535 -11.717 1.00 0.00 O ATOM 355 CB ALA A 27 7.155 3.532 -13.648 1.00 0.00 C ATOM 0 H ALA A 27 4.421 3.079 -14.175 1.00 0.00 H new ATOM 0 HA ALA A 27 6.779 1.432 -13.496 1.00 0.00 H new ATOM 0 HB1 ALA A 27 7.970 3.523 -12.924 1.00 0.00 H new ATOM 0 HB2 ALA A 27 7.563 3.446 -14.655 1.00 0.00 H new ATOM 0 HB3 ALA A 27 6.602 4.467 -13.559 1.00 0.00 H new ATOM 361 N GLY A 28 6.614 2.340 -10.983 1.00 0.00 N ATOM 362 CA GLY A 28 6.226 2.384 -9.585 1.00 0.00 C ATOM 363 C GLY A 28 5.424 1.168 -9.167 1.00 0.00 C ATOM 364 O GLY A 28 4.463 1.281 -8.406 1.00 0.00 O ATOM 0 H GLY A 28 7.616 2.245 -11.147 1.00 0.00 H new ATOM 0 HA2 GLY A 28 7.120 2.456 -8.965 1.00 0.00 H new ATOM 0 HA3 GLY A 28 5.638 3.283 -9.403 1.00 0.00 H new ATOM 368 N TRP A 29 5.817 0.002 -9.667 1.00 0.00 N ATOM 369 CA TRP A 29 5.127 -1.241 -9.342 1.00 0.00 C ATOM 370 C TRP A 29 5.600 -1.792 -8.002 1.00 0.00 C ATOM 371 O TRP A 29 6.744 -2.229 -7.868 1.00 0.00 O ATOM 372 CB TRP A 29 5.354 -2.278 -10.443 1.00 0.00 C ATOM 373 CG TRP A 29 4.727 -1.903 -11.752 1.00 0.00 C ATOM 374 CD1 TRP A 29 4.054 -0.749 -12.037 1.00 0.00 C ATOM 375 CD2 TRP A 29 4.712 -2.684 -12.951 1.00 0.00 C ATOM 376 NE1 TRP A 29 3.622 -0.767 -13.341 1.00 0.00 N ATOM 377 CE2 TRP A 29 4.014 -1.943 -13.924 1.00 0.00 C ATOM 378 CE3 TRP A 29 5.223 -3.938 -13.298 1.00 0.00 C ATOM 379 CZ2 TRP A 29 3.814 -2.415 -15.218 1.00 0.00 C ATOM 380 CZ3 TRP A 29 5.024 -4.406 -14.583 1.00 0.00 C ATOM 381 CH2 TRP A 29 4.325 -3.646 -15.530 1.00 0.00 C ATOM 0 H TRP A 29 6.610 -0.109 -10.299 1.00 0.00 H new ATOM 0 HA TRP A 29 4.061 -1.027 -9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 29 6.426 -2.415 -10.588 1.00 0.00 H new ATOM 0 HB3 TRP A 29 4.951 -3.237 -10.117 1.00 0.00 H new ATOM 0 HD1 TRP A 29 3.886 0.059 -11.340 1.00 0.00 H new ATOM 0 HE1 TRP A 29 3.095 -0.025 -13.801 1.00 0.00 H new ATOM 0 HE3 TRP A 29 5.764 -4.531 -12.575 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 3.275 -1.831 -15.949 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 5.414 -5.374 -14.862 1.00 0.00 H new ATOM 0 HH2 TRP A 29 4.187 -4.039 -16.526 1.00 0.00 H new ATOM 392 N LEU A 30 4.715 -1.769 -7.012 1.00 0.00 N ATOM 393 CA LEU A 30 5.043 -2.268 -5.680 1.00 0.00 C ATOM 394 C LEU A 30 4.995 -3.792 -5.642 1.00 0.00 C ATOM 395 O LEU A 30 3.926 -4.393 -5.757 1.00 0.00 O ATOM 396 CB LEU A 30 4.076 -1.689 -4.645 1.00 0.00 C ATOM 397 CG LEU A 30 3.721 -0.211 -4.810 1.00 0.00 C ATOM 398 CD1 LEU A 30 2.536 0.154 -3.931 1.00 0.00 C ATOM 399 CD2 LEU A 30 4.921 0.665 -4.483 1.00 0.00 C ATOM 0 H LEU A 30 3.765 -1.410 -7.106 1.00 0.00 H new ATOM 0 HA LEU A 30 6.057 -1.949 -5.439 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.154 -2.269 -4.675 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.509 -1.830 -3.655 1.00 0.00 H new ATOM 0 HG LEU A 30 3.443 -0.037 -5.849 1.00 0.00 H new ATOM 0 HD11 LEU A 30 2.298 1.210 -4.062 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.674 -0.450 -4.213 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.786 -0.035 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.650 1.714 -4.606 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.231 0.488 -3.453 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.743 0.421 -5.156 1.00 0.00 H new ATOM 411 N LEU A 31 6.159 -4.411 -5.478 1.00 0.00 N ATOM 412 CA LEU A 31 6.250 -5.866 -5.422 1.00 0.00 C ATOM 413 C LEU A 31 5.601 -6.404 -4.151 1.00 0.00 C ATOM 414 O LEU A 31 5.813 -5.872 -3.060 1.00 0.00 O ATOM 415 CB LEU A 31 7.713 -6.308 -5.488 1.00 0.00 C ATOM 416 CG LEU A 31 7.968 -7.808 -5.340 1.00 0.00 C ATOM 417 CD1 LEU A 31 7.735 -8.522 -6.663 1.00 0.00 C ATOM 418 CD2 LEU A 31 9.381 -8.062 -4.837 1.00 0.00 C ATOM 0 H LEU A 31 7.052 -3.928 -5.382 1.00 0.00 H new ATOM 0 HA LEU A 31 5.715 -6.272 -6.281 1.00 0.00 H new ATOM 0 HB2 LEU A 31 8.128 -5.982 -6.442 1.00 0.00 H new ATOM 0 HB3 LEU A 31 8.265 -5.787 -4.706 1.00 0.00 H new ATOM 0 HG LEU A 31 7.266 -8.206 -4.607 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.921 -9.589 -6.538 1.00 0.00 H new ATOM 0 HD12 LEU A 31 6.704 -8.368 -6.983 1.00 0.00 H new ATOM 0 HD13 LEU A 31 8.412 -8.121 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.544 -9.135 -4.738 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.099 -7.650 -5.546 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.513 -7.584 -3.867 1.00 0.00 H new ATOM 430 N LEU A 32 4.812 -7.462 -4.298 1.00 0.00 N ATOM 431 CA LEU A 32 4.133 -8.074 -3.160 1.00 0.00 C ATOM 432 C LEU A 32 4.644 -9.491 -2.920 1.00 0.00 C ATOM 433 O LEU A 32 3.976 -10.467 -3.261 1.00 0.00 O ATOM 434 CB LEU A 32 2.622 -8.097 -3.395 1.00 0.00 C ATOM 435 CG LEU A 32 1.911 -6.746 -3.322 1.00 0.00 C ATOM 436 CD1 LEU A 32 0.516 -6.843 -3.920 1.00 0.00 C ATOM 437 CD2 LEU A 32 1.843 -6.256 -1.883 1.00 0.00 C ATOM 0 H LEU A 32 4.626 -7.914 -5.193 1.00 0.00 H new ATOM 0 HA LEU A 32 4.347 -7.475 -2.275 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.434 -8.531 -4.377 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.170 -8.763 -2.660 1.00 0.00 H new ATOM 0 HG LEU A 32 2.484 -6.024 -3.904 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.026 -5.871 -3.859 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.588 -7.148 -4.964 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -0.067 -7.579 -3.366 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.334 -5.293 -1.850 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.294 -6.978 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.853 -6.146 -1.488 1.00 0.00 H new ATOM 449 N GLU A 33 5.831 -9.596 -2.330 1.00 0.00 N ATOM 450 CA GLU A 33 6.429 -10.894 -2.044 1.00 0.00 C ATOM 451 C GLU A 33 5.563 -11.690 -1.071 1.00 0.00 C ATOM 452 O GLU A 33 4.944 -11.124 -0.169 1.00 0.00 O ATOM 453 CB GLU A 33 7.834 -10.716 -1.464 1.00 0.00 C ATOM 454 CG GLU A 33 8.894 -11.540 -2.175 1.00 0.00 C ATOM 455 CD GLU A 33 9.273 -12.792 -1.407 1.00 0.00 C ATOM 456 OE1 GLU A 33 9.923 -12.664 -0.348 1.00 0.00 O ATOM 457 OE2 GLU A 33 8.919 -13.898 -1.864 1.00 0.00 O ATOM 0 H GLU A 33 6.397 -8.798 -2.041 1.00 0.00 H new ATOM 0 HA GLU A 33 6.497 -11.448 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU A 33 8.109 -9.663 -1.516 1.00 0.00 H new ATOM 0 HB3 GLU A 33 7.820 -10.990 -0.409 1.00 0.00 H new ATOM 0 HG2 GLU A 33 8.528 -11.821 -3.163 1.00 0.00 H new ATOM 0 HG3 GLU A 33 9.783 -10.928 -2.327 1.00 0.00 H new ATOM 464 N ASP A 34 5.524 -13.004 -1.262 1.00 0.00 N ATOM 465 CA ASP A 34 4.735 -13.878 -0.402 1.00 0.00 C ATOM 466 C ASP A 34 5.375 -14.007 0.977 1.00 0.00 C ATOM 467 O ASP A 34 6.478 -14.534 1.114 1.00 0.00 O ATOM 468 CB ASP A 34 4.588 -15.260 -1.041 1.00 0.00 C ATOM 469 CG ASP A 34 4.163 -16.318 -0.041 1.00 0.00 C ATOM 470 OD1 ASP A 34 2.943 -16.474 0.175 1.00 0.00 O ATOM 471 OD2 ASP A 34 5.050 -16.989 0.525 1.00 0.00 O ATOM 0 H ASP A 34 6.029 -13.487 -2.005 1.00 0.00 H new ATOM 0 HA ASP A 34 3.747 -13.434 -0.283 1.00 0.00 H new ATOM 0 HB2 ASP A 34 3.854 -15.209 -1.845 1.00 0.00 H new ATOM 0 HB3 ASP A 34 5.536 -15.551 -1.493 1.00 0.00 H new ATOM 476 N GLY A 35 4.675 -13.520 1.997 1.00 0.00 N ATOM 477 CA GLY A 35 5.192 -13.589 3.351 1.00 0.00 C ATOM 478 C GLY A 35 6.025 -12.376 3.717 1.00 0.00 C ATOM 479 O GLY A 35 6.819 -12.421 4.657 1.00 0.00 O ATOM 0 H GLY A 35 3.759 -13.079 1.910 1.00 0.00 H new ATOM 0 HA2 GLY A 35 4.360 -13.679 4.050 1.00 0.00 H new ATOM 0 HA3 GLY A 35 5.798 -14.488 3.460 1.00 0.00 H new ATOM 483 N CYS A 36 5.846 -11.291 2.972 1.00 0.00 N ATOM 484 CA CYS A 36 6.590 -10.061 3.221 1.00 0.00 C ATOM 485 C CYS A 36 5.641 -8.889 3.451 1.00 0.00 C ATOM 486 O CYS A 36 4.699 -8.683 2.688 1.00 0.00 O ATOM 487 CB CYS A 36 7.520 -9.757 2.046 1.00 0.00 C ATOM 488 SG CYS A 36 9.095 -10.643 2.102 1.00 0.00 S ATOM 0 H CYS A 36 5.192 -11.238 2.191 1.00 0.00 H new ATOM 0 HA CYS A 36 7.188 -10.203 4.121 1.00 0.00 H new ATOM 0 HB2 CYS A 36 7.008 -10.007 1.117 1.00 0.00 H new ATOM 0 HB3 CYS A 36 7.719 -8.686 2.022 1.00 0.00 H new ATOM 0 HG CYS A 36 9.178 -11.446 1.083 1.00 0.00 H new ATOM 494 N GLU A 37 5.897 -8.127 4.510 1.00 0.00 N ATOM 495 CA GLU A 37 5.064 -6.977 4.842 1.00 0.00 C ATOM 496 C GLU A 37 5.364 -5.802 3.915 1.00 0.00 C ATOM 497 O GLU A 37 6.486 -5.298 3.878 1.00 0.00 O ATOM 498 CB GLU A 37 5.285 -6.562 6.298 1.00 0.00 C ATOM 499 CG GLU A 37 4.140 -6.944 7.220 1.00 0.00 C ATOM 500 CD GLU A 37 4.598 -7.205 8.642 1.00 0.00 C ATOM 501 OE1 GLU A 37 5.728 -7.706 8.819 1.00 0.00 O ATOM 502 OE2 GLU A 37 3.826 -6.907 9.577 1.00 0.00 O ATOM 0 H GLU A 37 6.674 -8.285 5.152 1.00 0.00 H new ATOM 0 HA GLU A 37 4.021 -7.266 4.709 1.00 0.00 H new ATOM 0 HB2 GLU A 37 6.203 -7.022 6.663 1.00 0.00 H new ATOM 0 HB3 GLU A 37 5.431 -5.483 6.341 1.00 0.00 H new ATOM 0 HG2 GLU A 37 3.398 -6.145 7.222 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.648 -7.835 6.831 1.00 0.00 H new ATOM 509 N VAL A 38 4.352 -5.372 3.168 1.00 0.00 N ATOM 510 CA VAL A 38 4.506 -4.257 2.242 1.00 0.00 C ATOM 511 C VAL A 38 3.809 -3.007 2.766 1.00 0.00 C ATOM 512 O VAL A 38 2.601 -2.837 2.594 1.00 0.00 O ATOM 513 CB VAL A 38 3.941 -4.601 0.850 1.00 0.00 C ATOM 514 CG1 VAL A 38 4.091 -3.418 -0.094 1.00 0.00 C ATOM 515 CG2 VAL A 38 4.630 -5.835 0.287 1.00 0.00 C ATOM 0 H VAL A 38 3.417 -5.779 3.186 1.00 0.00 H new ATOM 0 HA VAL A 38 5.575 -4.064 2.155 1.00 0.00 H new ATOM 0 HB VAL A 38 2.878 -4.821 0.951 1.00 0.00 H new ATOM 0 HG11 VAL A 38 3.687 -3.679 -1.072 1.00 0.00 H new ATOM 0 HG12 VAL A 38 3.548 -2.562 0.306 1.00 0.00 H new ATOM 0 HG13 VAL A 38 5.146 -3.164 -0.194 1.00 0.00 H new ATOM 0 HG21 VAL A 38 4.219 -6.064 -0.696 1.00 0.00 H new ATOM 0 HG22 VAL A 38 5.700 -5.646 0.198 1.00 0.00 H new ATOM 0 HG23 VAL A 38 4.465 -6.680 0.955 1.00 0.00 H new ATOM 525 N THR A 39 4.577 -2.132 3.407 1.00 0.00 N ATOM 526 CA THR A 39 4.034 -0.897 3.958 1.00 0.00 C ATOM 527 C THR A 39 4.322 0.287 3.042 1.00 0.00 C ATOM 528 O THR A 39 5.436 0.440 2.540 1.00 0.00 O ATOM 529 CB THR A 39 4.612 -0.603 5.355 1.00 0.00 C ATOM 530 OG1 THR A 39 5.978 -0.189 5.243 1.00 0.00 O ATOM 531 CG2 THR A 39 4.520 -1.831 6.248 1.00 0.00 C ATOM 0 H THR A 39 5.578 -2.256 3.557 1.00 0.00 H new ATOM 0 HA THR A 39 2.956 -1.035 4.041 1.00 0.00 H new ATOM 0 HB THR A 39 4.026 0.198 5.805 1.00 0.00 H new ATOM 0 HG1 THR A 39 6.384 -0.156 6.134 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.934 -1.599 7.229 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.476 -2.126 6.355 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.084 -2.649 5.800 1.00 0.00 H new ATOM 539 N VAL A 40 3.312 1.124 2.829 1.00 0.00 N ATOM 540 CA VAL A 40 3.458 2.296 1.974 1.00 0.00 C ATOM 541 C VAL A 40 3.308 3.584 2.777 1.00 0.00 C ATOM 542 O VAL A 40 2.595 3.624 3.778 1.00 0.00 O ATOM 543 CB VAL A 40 2.422 2.292 0.834 1.00 0.00 C ATOM 544 CG1 VAL A 40 2.713 3.410 -0.156 1.00 0.00 C ATOM 545 CG2 VAL A 40 2.405 0.941 0.135 1.00 0.00 C ATOM 0 H VAL A 40 2.384 1.012 3.237 1.00 0.00 H new ATOM 0 HA VAL A 40 4.459 2.252 1.545 1.00 0.00 H new ATOM 0 HB VAL A 40 1.435 2.466 1.262 1.00 0.00 H new ATOM 0 HG11 VAL A 40 1.971 3.391 -0.954 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.670 4.371 0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 40 3.707 3.270 -0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.668 0.956 -0.668 1.00 0.00 H new ATOM 0 HG22 VAL A 40 3.391 0.735 -0.282 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.144 0.163 0.853 1.00 0.00 H new ATOM 555 N GLY A 41 3.987 4.636 2.329 1.00 0.00 N ATOM 556 CA GLY A 41 3.917 5.912 3.018 1.00 0.00 C ATOM 557 C GLY A 41 4.796 6.966 2.376 1.00 0.00 C ATOM 558 O GLY A 41 5.249 6.801 1.243 1.00 0.00 O ATOM 0 H GLY A 41 4.584 4.628 1.502 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.884 6.261 3.027 1.00 0.00 H new ATOM 0 HA3 GLY A 41 4.217 5.777 4.057 1.00 0.00 H new ATOM 562 N ARG A 42 5.036 8.055 3.099 1.00 0.00 N ATOM 563 CA ARG A 42 5.864 9.142 2.592 1.00 0.00 C ATOM 564 C ARG A 42 7.014 9.442 3.549 1.00 0.00 C ATOM 565 O ARG A 42 7.438 10.589 3.687 1.00 0.00 O ATOM 566 CB ARG A 42 5.019 10.400 2.383 1.00 0.00 C ATOM 567 CG ARG A 42 4.329 10.887 3.646 1.00 0.00 C ATOM 568 CD ARG A 42 4.094 12.389 3.610 1.00 0.00 C ATOM 569 NE ARG A 42 3.537 12.887 4.864 1.00 0.00 N ATOM 570 CZ ARG A 42 4.255 13.068 5.967 1.00 0.00 C ATOM 571 NH1 ARG A 42 5.552 12.795 5.969 1.00 0.00 N ATOM 572 NH2 ARG A 42 3.676 13.525 7.070 1.00 0.00 N ATOM 0 H ARG A 42 4.668 8.208 4.038 1.00 0.00 H new ATOM 0 HA ARG A 42 6.283 8.830 1.635 1.00 0.00 H new ATOM 0 HB2 ARG A 42 5.657 11.196 1.998 1.00 0.00 H new ATOM 0 HB3 ARG A 42 4.265 10.199 1.622 1.00 0.00 H new ATOM 0 HG2 ARG A 42 3.376 10.371 3.763 1.00 0.00 H new ATOM 0 HG3 ARG A 42 4.937 10.634 4.515 1.00 0.00 H new ATOM 0 HD2 ARG A 42 5.036 12.898 3.404 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.416 12.630 2.791 1.00 0.00 H new ATOM 0 HE ARG A 42 2.542 13.108 4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 42 6.001 12.445 5.122 1.00 0.00 H new ATOM 0 HH12 ARG A 42 6.101 12.935 6.817 1.00 0.00 H new ATOM 0 HH21 ARG A 42 2.678 13.738 7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 42 4.228 13.663 7.916 1.00 0.00 H new ATOM 586 N GLY A 43 7.514 8.402 4.210 1.00 0.00 N ATOM 587 CA GLY A 43 8.609 8.575 5.146 1.00 0.00 C ATOM 588 C GLY A 43 9.746 7.605 4.894 1.00 0.00 C ATOM 589 O GLY A 43 9.768 6.914 3.875 1.00 0.00 O ATOM 0 H GLY A 43 7.180 7.443 4.114 1.00 0.00 H new ATOM 0 HA2 GLY A 43 8.984 9.596 5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.239 8.440 6.162 1.00 0.00 H new ATOM 593 N PHE A 44 10.695 7.553 5.823 1.00 0.00 N ATOM 594 CA PHE A 44 11.842 6.662 5.695 1.00 0.00 C ATOM 595 C PHE A 44 11.686 5.441 6.598 1.00 0.00 C ATOM 596 O PHE A 44 12.671 4.873 7.068 1.00 0.00 O ATOM 597 CB PHE A 44 13.133 7.406 6.043 1.00 0.00 C ATOM 598 CG PHE A 44 14.338 6.889 5.310 1.00 0.00 C ATOM 599 CD1 PHE A 44 14.488 7.115 3.951 1.00 0.00 C ATOM 600 CD2 PHE A 44 15.322 6.179 5.980 1.00 0.00 C ATOM 601 CE1 PHE A 44 15.596 6.640 3.274 1.00 0.00 C ATOM 602 CE2 PHE A 44 16.432 5.702 5.308 1.00 0.00 C ATOM 603 CZ PHE A 44 16.569 5.934 3.954 1.00 0.00 C ATOM 0 H PHE A 44 10.692 8.117 6.673 1.00 0.00 H new ATOM 0 HA PHE A 44 11.894 6.323 4.660 1.00 0.00 H new ATOM 0 HB2 PHE A 44 13.006 8.464 5.816 1.00 0.00 H new ATOM 0 HB3 PHE A 44 13.309 7.329 7.116 1.00 0.00 H new ATOM 0 HD1 PHE A 44 13.731 7.668 3.415 1.00 0.00 H new ATOM 0 HD2 PHE A 44 15.220 5.996 7.040 1.00 0.00 H new ATOM 0 HE1 PHE A 44 15.701 6.821 2.214 1.00 0.00 H new ATOM 0 HE2 PHE A 44 17.191 5.149 5.841 1.00 0.00 H new ATOM 0 HZ PHE A 44 17.436 5.564 3.427 1.00 0.00 H new ATOM 613 N GLY A 45 10.440 5.044 6.836 1.00 0.00 N ATOM 614 CA GLY A 45 10.176 3.895 7.682 1.00 0.00 C ATOM 615 C GLY A 45 9.233 2.902 7.033 1.00 0.00 C ATOM 616 O GLY A 45 8.586 2.109 7.718 1.00 0.00 O ATOM 0 H GLY A 45 9.608 5.498 6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 45 11.117 3.397 7.918 1.00 0.00 H new ATOM 0 HA3 GLY A 45 9.749 4.233 8.626 1.00 0.00 H new ATOM 620 N VAL A 46 9.152 2.944 5.707 1.00 0.00 N ATOM 621 CA VAL A 46 8.280 2.042 4.965 1.00 0.00 C ATOM 622 C VAL A 46 9.032 1.365 3.824 1.00 0.00 C ATOM 623 O VAL A 46 10.087 1.834 3.396 1.00 0.00 O ATOM 624 CB VAL A 46 7.060 2.786 4.390 1.00 0.00 C ATOM 625 CG1 VAL A 46 6.151 3.267 5.511 1.00 0.00 C ATOM 626 CG2 VAL A 46 7.508 3.950 3.519 1.00 0.00 C ATOM 0 H VAL A 46 9.680 3.594 5.124 1.00 0.00 H new ATOM 0 HA VAL A 46 7.936 1.285 5.670 1.00 0.00 H new ATOM 0 HB VAL A 46 6.494 2.093 3.767 1.00 0.00 H new ATOM 0 HG11 VAL A 46 5.295 3.790 5.086 1.00 0.00 H new ATOM 0 HG12 VAL A 46 5.803 2.411 6.090 1.00 0.00 H new ATOM 0 HG13 VAL A 46 6.703 3.944 6.162 1.00 0.00 H new ATOM 0 HG21 VAL A 46 6.633 4.464 3.121 1.00 0.00 H new ATOM 0 HG22 VAL A 46 8.097 4.646 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 46 8.115 3.575 2.695 1.00 0.00 H new ATOM 636 N THR A 47 8.482 0.258 3.335 1.00 0.00 N ATOM 637 CA THR A 47 9.101 -0.485 2.244 1.00 0.00 C ATOM 638 C THR A 47 8.988 0.276 0.928 1.00 0.00 C ATOM 639 O THR A 47 9.861 0.176 0.065 1.00 0.00 O ATOM 640 CB THR A 47 8.460 -1.876 2.077 1.00 0.00 C ATOM 641 OG1 THR A 47 8.590 -2.624 3.291 1.00 0.00 O ATOM 642 CG2 THR A 47 9.113 -2.638 0.934 1.00 0.00 C ATOM 0 H THR A 47 7.609 -0.144 3.677 1.00 0.00 H new ATOM 0 HA THR A 47 10.153 -0.607 2.501 1.00 0.00 H new ATOM 0 HB THR A 47 7.404 -1.740 1.846 1.00 0.00 H new ATOM 0 HG1 THR A 47 8.179 -3.506 3.177 1.00 0.00 H new ATOM 0 HG21 THR A 47 8.644 -3.617 0.835 1.00 0.00 H new ATOM 0 HG22 THR A 47 8.988 -2.080 0.006 1.00 0.00 H new ATOM 0 HG23 THR A 47 10.176 -2.764 1.141 1.00 0.00 H new ATOM 650 N TYR A 48 7.909 1.035 0.779 1.00 0.00 N ATOM 651 CA TYR A 48 7.681 1.812 -0.434 1.00 0.00 C ATOM 652 C TYR A 48 7.301 3.250 -0.096 1.00 0.00 C ATOM 653 O TYR A 48 6.225 3.509 0.442 1.00 0.00 O ATOM 654 CB TYR A 48 6.581 1.167 -1.279 1.00 0.00 C ATOM 655 CG TYR A 48 6.969 -0.177 -1.853 1.00 0.00 C ATOM 656 CD1 TYR A 48 8.112 -0.320 -2.630 1.00 0.00 C ATOM 657 CD2 TYR A 48 6.192 -1.305 -1.617 1.00 0.00 C ATOM 658 CE1 TYR A 48 8.469 -1.545 -3.157 1.00 0.00 C ATOM 659 CE2 TYR A 48 6.543 -2.536 -2.139 1.00 0.00 C ATOM 660 CZ TYR A 48 7.681 -2.650 -2.909 1.00 0.00 C ATOM 661 OH TYR A 48 8.035 -3.874 -3.431 1.00 0.00 O ATOM 0 H TYR A 48 7.177 1.129 1.483 1.00 0.00 H new ATOM 0 HA TYR A 48 8.609 1.825 -1.006 1.00 0.00 H new ATOM 0 HB2 TYR A 48 5.687 1.047 -0.667 1.00 0.00 H new ATOM 0 HB3 TYR A 48 6.320 1.840 -2.096 1.00 0.00 H new ATOM 0 HD1 TYR A 48 8.732 0.542 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 48 5.299 -1.218 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 48 9.360 -1.638 -3.760 1.00 0.00 H new ATOM 0 HE2 TYR A 48 5.929 -3.403 -1.945 1.00 0.00 H new ATOM 0 HH TYR A 48 7.335 -4.530 -3.230 1.00 0.00 H new ATOM 671 N GLN A 49 8.193 4.182 -0.418 1.00 0.00 N ATOM 672 CA GLN A 49 7.951 5.595 -0.149 1.00 0.00 C ATOM 673 C GLN A 49 7.405 6.298 -1.387 1.00 0.00 C ATOM 674 O GLN A 49 7.785 5.980 -2.514 1.00 0.00 O ATOM 675 CB GLN A 49 9.242 6.275 0.311 1.00 0.00 C ATOM 676 CG GLN A 49 9.045 7.717 0.752 1.00 0.00 C ATOM 677 CD GLN A 49 10.333 8.365 1.220 1.00 0.00 C ATOM 678 OE1 GLN A 49 11.417 8.042 0.733 1.00 0.00 O ATOM 679 NE2 GLN A 49 10.221 9.286 2.170 1.00 0.00 N ATOM 0 H GLN A 49 9.088 3.984 -0.865 1.00 0.00 H new ATOM 0 HA GLN A 49 7.207 5.667 0.645 1.00 0.00 H new ATOM 0 HB2 GLN A 49 9.668 5.706 1.137 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.967 6.248 -0.502 1.00 0.00 H new ATOM 0 HG2 GLN A 49 8.633 8.293 -0.076 1.00 0.00 H new ATOM 0 HG3 GLN A 49 8.312 7.750 1.558 1.00 0.00 H new ATOM 0 HE21 GLN A 49 9.302 9.523 2.545 1.00 0.00 H new ATOM 0 HE22 GLN A 49 11.053 9.757 2.525 1.00 0.00 H new ATOM 688 N LEU A 50 6.510 7.256 -1.170 1.00 0.00 N ATOM 689 CA LEU A 50 5.909 8.005 -2.268 1.00 0.00 C ATOM 690 C LEU A 50 5.843 9.493 -1.940 1.00 0.00 C ATOM 691 O LEU A 50 5.487 9.879 -0.826 1.00 0.00 O ATOM 692 CB LEU A 50 4.506 7.474 -2.567 1.00 0.00 C ATOM 693 CG LEU A 50 4.382 5.959 -2.728 1.00 0.00 C ATOM 694 CD1 LEU A 50 2.937 5.520 -2.554 1.00 0.00 C ATOM 695 CD2 LEU A 50 4.915 5.521 -4.085 1.00 0.00 C ATOM 0 H LEU A 50 6.185 7.532 -0.244 1.00 0.00 H new ATOM 0 HA LEU A 50 6.536 7.874 -3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 50 3.841 7.789 -1.763 1.00 0.00 H new ATOM 0 HB3 LEU A 50 4.147 7.947 -3.481 1.00 0.00 H new ATOM 0 HG LEU A 50 4.981 5.481 -1.953 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.869 4.439 -2.672 1.00 0.00 H new ATOM 0 HD12 LEU A 50 2.589 5.799 -1.559 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.316 6.007 -3.306 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.819 4.440 -4.182 1.00 0.00 H new ATOM 0 HD22 LEU A 50 4.344 6.008 -4.875 1.00 0.00 H new ATOM 0 HD23 LEU A 50 5.965 5.801 -4.171 1.00 0.00 H new ATOM 707 N VAL A 51 6.187 10.326 -2.917 1.00 0.00 N ATOM 708 CA VAL A 51 6.163 11.772 -2.734 1.00 0.00 C ATOM 709 C VAL A 51 5.734 12.482 -4.013 1.00 0.00 C ATOM 710 O VAL A 51 6.254 12.203 -5.094 1.00 0.00 O ATOM 711 CB VAL A 51 7.542 12.305 -2.301 1.00 0.00 C ATOM 712 CG1 VAL A 51 7.464 13.791 -1.982 1.00 0.00 C ATOM 713 CG2 VAL A 51 8.065 11.522 -1.107 1.00 0.00 C ATOM 0 H VAL A 51 6.486 10.024 -3.844 1.00 0.00 H new ATOM 0 HA VAL A 51 5.438 11.979 -1.947 1.00 0.00 H new ATOM 0 HB VAL A 51 8.240 12.171 -3.128 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.447 14.150 -1.678 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.136 14.336 -2.867 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.753 13.952 -1.172 1.00 0.00 H new ATOM 0 HG21 VAL A 51 9.040 11.912 -0.815 1.00 0.00 H new ATOM 0 HG22 VAL A 51 7.370 11.622 -0.274 1.00 0.00 H new ATOM 0 HG23 VAL A 51 8.161 10.470 -1.376 1.00 0.00 H new ATOM 723 N SER A 52 4.783 13.401 -3.883 1.00 0.00 N ATOM 724 CA SER A 52 4.281 14.149 -5.029 1.00 0.00 C ATOM 725 C SER A 52 4.232 15.643 -4.724 1.00 0.00 C ATOM 726 O SER A 52 3.792 16.055 -3.650 1.00 0.00 O ATOM 727 CB SER A 52 2.889 13.651 -5.421 1.00 0.00 C ATOM 728 OG SER A 52 2.709 13.690 -6.826 1.00 0.00 O ATOM 0 H SER A 52 4.345 13.645 -2.995 1.00 0.00 H new ATOM 0 HA SER A 52 4.964 13.988 -5.863 1.00 0.00 H new ATOM 0 HB2 SER A 52 2.750 12.631 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 52 2.130 14.266 -4.937 1.00 0.00 H new ATOM 0 HG SER A 52 1.758 13.583 -7.037 1.00 0.00 H new ATOM 734 N LYS A 53 4.687 16.451 -5.676 1.00 0.00 N ATOM 735 CA LYS A 53 4.695 17.899 -5.512 1.00 0.00 C ATOM 736 C LYS A 53 3.273 18.445 -5.426 1.00 0.00 C ATOM 737 O LYS A 53 3.038 19.501 -4.837 1.00 0.00 O ATOM 738 CB LYS A 53 5.437 18.561 -6.675 1.00 0.00 C ATOM 739 CG LYS A 53 6.937 18.663 -6.461 1.00 0.00 C ATOM 740 CD LYS A 53 7.664 17.451 -7.020 1.00 0.00 C ATOM 741 CE LYS A 53 8.922 17.139 -6.224 1.00 0.00 C ATOM 742 NZ LYS A 53 10.125 17.794 -6.808 1.00 0.00 N ATOM 0 H LYS A 53 5.055 16.126 -6.570 1.00 0.00 H new ATOM 0 HA LYS A 53 5.212 18.131 -4.581 1.00 0.00 H new ATOM 0 HB2 LYS A 53 5.246 17.994 -7.586 1.00 0.00 H new ATOM 0 HB3 LYS A 53 5.032 19.561 -6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 53 7.313 19.567 -6.940 1.00 0.00 H new ATOM 0 HG3 LYS A 53 7.148 18.756 -5.396 1.00 0.00 H new ATOM 0 HD2 LYS A 53 6.999 16.588 -7.005 1.00 0.00 H new ATOM 0 HD3 LYS A 53 7.927 17.632 -8.062 1.00 0.00 H new ATOM 0 HE2 LYS A 53 8.792 17.471 -5.194 1.00 0.00 H new ATOM 0 HE3 LYS A 53 9.075 16.060 -6.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 10.961 17.557 -6.237 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 10.265 17.458 -7.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 9.991 18.825 -6.813 1.00 0.00 H new ATOM 756 N ILE A 54 2.329 17.719 -6.015 1.00 0.00 N ATOM 757 CA ILE A 54 0.931 18.130 -6.002 1.00 0.00 C ATOM 758 C ILE A 54 0.357 18.081 -4.590 1.00 0.00 C ATOM 759 O ILE A 54 0.119 19.119 -3.970 1.00 0.00 O ATOM 760 CB ILE A 54 0.074 17.240 -6.923 1.00 0.00 C ATOM 761 CG1 ILE A 54 0.606 17.293 -8.357 1.00 0.00 C ATOM 762 CG2 ILE A 54 -1.382 17.677 -6.876 1.00 0.00 C ATOM 763 CD1 ILE A 54 1.522 16.140 -8.704 1.00 0.00 C ATOM 0 H ILE A 54 2.507 16.843 -6.507 1.00 0.00 H new ATOM 0 HA ILE A 54 0.900 19.156 -6.369 1.00 0.00 H new ATOM 0 HB ILE A 54 0.135 16.211 -6.570 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -0.236 17.298 -9.049 1.00 0.00 H new ATOM 0 HG13 ILE A 54 1.143 18.230 -8.502 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.975 17.039 -7.532 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.754 17.593 -5.855 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -1.462 18.712 -7.208 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.861 16.242 -9.735 1.00 0.00 H new ATOM 0 HD12 ILE A 54 2.384 16.146 -8.036 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.982 15.200 -8.591 1.00 0.00 H new ATOM 775 N CYS A 55 0.138 16.872 -4.087 1.00 0.00 N ATOM 776 CA CYS A 55 -0.407 16.688 -2.747 1.00 0.00 C ATOM 777 C CYS A 55 0.463 15.736 -1.932 1.00 0.00 C ATOM 778 O CYS A 55 0.103 14.585 -1.683 1.00 0.00 O ATOM 779 CB CYS A 55 -1.837 16.150 -2.825 1.00 0.00 C ATOM 780 SG CYS A 55 -2.034 14.734 -3.932 1.00 0.00 S ATOM 0 H CYS A 55 0.330 16.004 -4.587 1.00 0.00 H new ATOM 0 HA CYS A 55 -0.418 17.658 -2.250 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -2.161 15.863 -1.825 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -2.498 16.951 -3.156 1.00 0.00 H new ATOM 0 HG CYS A 55 -2.920 13.919 -3.441 1.00 0.00 H new ATOM 786 N PRO A 56 1.637 16.226 -1.506 1.00 0.00 N ATOM 787 CA PRO A 56 2.584 15.435 -0.714 1.00 0.00 C ATOM 788 C PRO A 56 2.074 15.164 0.698 1.00 0.00 C ATOM 789 O PRO A 56 2.578 14.281 1.392 1.00 0.00 O ATOM 790 CB PRO A 56 3.834 16.317 -0.670 1.00 0.00 C ATOM 791 CG PRO A 56 3.325 17.705 -0.858 1.00 0.00 C ATOM 792 CD PRO A 56 2.131 17.588 -1.765 1.00 0.00 C ATOM 0 HA PRO A 56 2.756 14.450 -1.149 1.00 0.00 H new ATOM 0 HB2 PRO A 56 4.359 16.213 0.280 1.00 0.00 H new ATOM 0 HB3 PRO A 56 4.539 16.044 -1.455 1.00 0.00 H new ATOM 0 HG2 PRO A 56 3.048 18.152 0.097 1.00 0.00 H new ATOM 0 HG3 PRO A 56 4.089 18.345 -1.299 1.00 0.00 H new ATOM 0 HD2 PRO A 56 1.376 18.340 -1.534 1.00 0.00 H new ATOM 0 HD3 PRO A 56 2.406 17.723 -2.811 1.00 0.00 H new ATOM 800 N LEU A 57 1.071 15.928 1.116 1.00 0.00 N ATOM 801 CA LEU A 57 0.491 15.770 2.445 1.00 0.00 C ATOM 802 C LEU A 57 -0.595 14.699 2.442 1.00 0.00 C ATOM 803 O LEU A 57 -0.904 14.111 3.478 1.00 0.00 O ATOM 804 CB LEU A 57 -0.088 17.099 2.932 1.00 0.00 C ATOM 805 CG LEU A 57 0.895 18.267 3.022 1.00 0.00 C ATOM 806 CD1 LEU A 57 0.167 19.550 3.392 1.00 0.00 C ATOM 807 CD2 LEU A 57 1.992 17.964 4.032 1.00 0.00 C ATOM 0 H LEU A 57 0.642 16.663 0.554 1.00 0.00 H new ATOM 0 HA LEU A 57 1.283 15.455 3.125 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.901 17.385 2.264 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.526 16.942 3.918 1.00 0.00 H new ATOM 0 HG LEU A 57 1.357 18.405 2.044 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.882 20.370 3.451 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.581 19.776 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.323 19.425 4.358 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.682 18.806 4.083 1.00 0.00 H new ATOM 0 HD22 LEU A 57 1.548 17.799 5.014 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.533 17.069 3.724 1.00 0.00 H new ATOM 819 N MET A 58 -1.170 14.451 1.270 1.00 0.00 N ATOM 820 CA MET A 58 -2.220 13.448 1.131 1.00 0.00 C ATOM 821 C MET A 58 -1.780 12.114 1.727 1.00 0.00 C ATOM 822 O MET A 58 -2.529 11.478 2.468 1.00 0.00 O ATOM 823 CB MET A 58 -2.589 13.265 -0.342 1.00 0.00 C ATOM 824 CG MET A 58 -3.818 12.397 -0.558 1.00 0.00 C ATOM 825 SD MET A 58 -4.632 12.724 -2.133 1.00 0.00 S ATOM 826 CE MET A 58 -5.555 14.206 -1.735 1.00 0.00 C ATOM 0 H MET A 58 -0.927 14.930 0.403 1.00 0.00 H new ATOM 0 HA MET A 58 -3.096 13.798 1.676 1.00 0.00 H new ATOM 0 HB2 MET A 58 -2.763 14.244 -0.789 1.00 0.00 H new ATOM 0 HB3 MET A 58 -1.744 12.820 -0.867 1.00 0.00 H new ATOM 0 HG2 MET A 58 -3.529 11.347 -0.514 1.00 0.00 H new ATOM 0 HG3 MET A 58 -4.525 12.567 0.254 1.00 0.00 H new ATOM 0 HE1 MET A 58 -6.221 14.453 -2.562 1.00 0.00 H new ATOM 0 HE2 MET A 58 -6.144 14.037 -0.833 1.00 0.00 H new ATOM 0 HE3 MET A 58 -4.863 15.031 -1.567 1.00 0.00 H new ATOM 836 N ILE A 59 -0.562 11.697 1.397 1.00 0.00 N ATOM 837 CA ILE A 59 -0.023 10.440 1.901 1.00 0.00 C ATOM 838 C ILE A 59 0.597 10.621 3.282 1.00 0.00 C ATOM 839 O ILE A 59 1.270 11.618 3.546 1.00 0.00 O ATOM 840 CB ILE A 59 1.038 9.860 0.947 1.00 0.00 C ATOM 841 CG1 ILE A 59 0.451 9.682 -0.455 1.00 0.00 C ATOM 842 CG2 ILE A 59 1.561 8.535 1.480 1.00 0.00 C ATOM 843 CD1 ILE A 59 -0.770 8.791 -0.491 1.00 0.00 C ATOM 0 H ILE A 59 0.070 12.211 0.783 1.00 0.00 H new ATOM 0 HA ILE A 59 -0.859 9.744 1.969 1.00 0.00 H new ATOM 0 HB ILE A 59 1.872 10.559 0.886 1.00 0.00 H new ATOM 0 HG12 ILE A 59 0.188 10.661 -0.857 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.215 9.263 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 59 2.310 8.137 0.795 1.00 0.00 H new ATOM 0 HG22 ILE A 59 2.012 8.690 2.460 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.737 7.827 1.567 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -1.132 8.711 -1.516 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.508 7.800 -0.120 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -1.551 9.219 0.137 1.00 0.00 H new ATOM 855 N SER A 60 0.366 9.651 4.160 1.00 0.00 N ATOM 856 CA SER A 60 0.900 9.704 5.516 1.00 0.00 C ATOM 857 C SER A 60 1.769 8.483 5.806 1.00 0.00 C ATOM 858 O SER A 60 1.635 7.445 5.159 1.00 0.00 O ATOM 859 CB SER A 60 -0.240 9.785 6.533 1.00 0.00 C ATOM 860 OG SER A 60 -0.412 11.112 7.000 1.00 0.00 O ATOM 0 H SER A 60 -0.187 8.819 3.957 1.00 0.00 H new ATOM 0 HA SER A 60 1.518 10.598 5.602 1.00 0.00 H new ATOM 0 HB2 SER A 60 -1.165 9.434 6.076 1.00 0.00 H new ATOM 0 HB3 SER A 60 -0.029 9.124 7.374 1.00 0.00 H new ATOM 0 HG SER A 60 -1.147 11.138 7.647 1.00 0.00 H new ATOM 866 N ARG A 61 2.660 8.617 6.783 1.00 0.00 N ATOM 867 CA ARG A 61 3.552 7.527 7.159 1.00 0.00 C ATOM 868 C ARG A 61 2.765 6.247 7.424 1.00 0.00 C ATOM 869 O ARG A 61 1.895 6.210 8.293 1.00 0.00 O ATOM 870 CB ARG A 61 4.361 7.907 8.400 1.00 0.00 C ATOM 871 CG ARG A 61 5.333 9.052 8.167 1.00 0.00 C ATOM 872 CD ARG A 61 6.090 9.408 9.437 1.00 0.00 C ATOM 873 NE ARG A 61 5.321 10.298 10.302 1.00 0.00 N ATOM 874 CZ ARG A 61 5.644 10.558 11.563 1.00 0.00 C ATOM 875 NH1 ARG A 61 6.717 9.997 12.105 1.00 0.00 N ATOM 876 NH2 ARG A 61 4.894 11.379 12.287 1.00 0.00 N ATOM 0 H ARG A 61 2.783 9.470 7.329 1.00 0.00 H new ATOM 0 HA ARG A 61 4.235 7.348 6.329 1.00 0.00 H new ATOM 0 HB2 ARG A 61 3.674 8.182 9.201 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.917 7.034 8.742 1.00 0.00 H new ATOM 0 HG2 ARG A 61 6.041 8.776 7.385 1.00 0.00 H new ATOM 0 HG3 ARG A 61 4.788 9.926 7.810 1.00 0.00 H new ATOM 0 HD2 ARG A 61 6.334 8.496 9.981 1.00 0.00 H new ATOM 0 HD3 ARG A 61 7.034 9.885 9.174 1.00 0.00 H new ATOM 0 HE ARG A 61 4.489 10.745 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 61 7.296 9.364 11.553 1.00 0.00 H new ATOM 0 HH12 ARG A 61 6.963 10.198 13.074 1.00 0.00 H new ATOM 0 HH21 ARG A 61 4.067 11.812 11.875 1.00 0.00 H new ATOM 0 HH22 ARG A 61 5.144 11.577 13.256 1.00 0.00 H new ATOM 890 N ASN A 62 3.076 5.200 6.667 1.00 0.00 N ATOM 891 CA ASN A 62 2.397 3.918 6.819 1.00 0.00 C ATOM 892 C ASN A 62 0.910 4.049 6.502 1.00 0.00 C ATOM 893 O ASN A 62 0.059 3.600 7.270 1.00 0.00 O ATOM 894 CB ASN A 62 2.582 3.385 8.241 1.00 0.00 C ATOM 895 CG ASN A 62 4.001 3.562 8.745 1.00 0.00 C ATOM 896 OD1 ASN A 62 4.430 4.676 9.048 1.00 0.00 O ATOM 897 ND2 ASN A 62 4.738 2.461 8.837 1.00 0.00 N ATOM 0 H ASN A 62 3.794 5.214 5.942 1.00 0.00 H new ATOM 0 HA ASN A 62 2.840 3.214 6.114 1.00 0.00 H new ATOM 0 HB2 ASN A 62 1.894 3.900 8.912 1.00 0.00 H new ATOM 0 HB3 ASN A 62 2.320 2.327 8.267 1.00 0.00 H new ATOM 0 HD21 ASN A 62 5.701 2.518 9.170 1.00 0.00 H new ATOM 0 HD22 ASN A 62 4.341 1.558 8.575 1.00 0.00 H new ATOM 904 N HIS A 63 0.605 4.667 5.366 1.00 0.00 N ATOM 905 CA HIS A 63 -0.779 4.856 4.946 1.00 0.00 C ATOM 906 C HIS A 63 -1.540 3.534 4.970 1.00 0.00 C ATOM 907 O HIS A 63 -2.708 3.486 5.357 1.00 0.00 O ATOM 908 CB HIS A 63 -0.831 5.463 3.544 1.00 0.00 C ATOM 909 CG HIS A 63 -2.089 6.226 3.267 1.00 0.00 C ATOM 910 ND1 HIS A 63 -2.186 7.594 3.408 1.00 0.00 N ATOM 911 CD2 HIS A 63 -3.307 5.805 2.854 1.00 0.00 C ATOM 912 CE1 HIS A 63 -3.410 7.981 3.095 1.00 0.00 C ATOM 913 NE2 HIS A 63 -4.110 6.914 2.755 1.00 0.00 N ATOM 0 H HIS A 63 1.297 5.046 4.720 1.00 0.00 H new ATOM 0 HA HIS A 63 -1.255 5.541 5.648 1.00 0.00 H new ATOM 0 HB2 HIS A 63 0.023 6.127 3.413 1.00 0.00 H new ATOM 0 HB3 HIS A 63 -0.730 4.665 2.808 1.00 0.00 H new ATOM 0 HD2 HIS A 63 -3.594 4.786 2.642 1.00 0.00 H new ATOM 0 HE1 HIS A 63 -3.776 8.997 3.114 1.00 0.00 H new ATOM 0 HE2 HIS A 63 -5.088 6.914 2.466 1.00 0.00 H new ATOM 921 N CYS A 64 -0.870 2.465 4.554 1.00 0.00 N ATOM 922 CA CYS A 64 -1.484 1.142 4.526 1.00 0.00 C ATOM 923 C CYS A 64 -0.430 0.050 4.683 1.00 0.00 C ATOM 924 O CYS A 64 0.768 0.308 4.567 1.00 0.00 O ATOM 925 CB CYS A 64 -2.253 0.941 3.219 1.00 0.00 C ATOM 926 SG CYS A 64 -1.199 0.796 1.757 1.00 0.00 S ATOM 0 H CYS A 64 0.097 2.488 4.232 1.00 0.00 H new ATOM 0 HA CYS A 64 -2.180 1.074 5.362 1.00 0.00 H new ATOM 0 HB2 CYS A 64 -2.864 0.042 3.304 1.00 0.00 H new ATOM 0 HB3 CYS A 64 -2.936 1.779 3.079 1.00 0.00 H new ATOM 0 HG CYS A 64 -1.940 0.626 0.703 1.00 0.00 H new ATOM 932 N VAL A 65 -0.885 -1.170 4.949 1.00 0.00 N ATOM 933 CA VAL A 65 0.018 -2.301 5.123 1.00 0.00 C ATOM 934 C VAL A 65 -0.575 -3.574 4.530 1.00 0.00 C ATOM 935 O VAL A 65 -1.659 -4.008 4.922 1.00 0.00 O ATOM 936 CB VAL A 65 0.337 -2.541 6.611 1.00 0.00 C ATOM 937 CG1 VAL A 65 1.361 -3.656 6.764 1.00 0.00 C ATOM 938 CG2 VAL A 65 0.832 -1.259 7.262 1.00 0.00 C ATOM 0 H VAL A 65 -1.874 -1.400 5.049 1.00 0.00 H new ATOM 0 HA VAL A 65 0.940 -2.054 4.597 1.00 0.00 H new ATOM 0 HB VAL A 65 -0.578 -2.849 7.117 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.574 -3.812 7.822 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.964 -4.576 6.335 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.279 -3.380 6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 65 1.053 -1.446 8.313 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.736 -0.920 6.756 1.00 0.00 H new ATOM 0 HG23 VAL A 65 0.063 -0.491 7.184 1.00 0.00 H new ATOM 948 N LEU A 66 0.143 -4.170 3.584 1.00 0.00 N ATOM 949 CA LEU A 66 -0.312 -5.395 2.936 1.00 0.00 C ATOM 950 C LEU A 66 0.402 -6.614 3.513 1.00 0.00 C ATOM 951 O LEU A 66 1.580 -6.547 3.866 1.00 0.00 O ATOM 952 CB LEU A 66 -0.073 -5.317 1.428 1.00 0.00 C ATOM 953 CG LEU A 66 -1.057 -4.455 0.636 1.00 0.00 C ATOM 954 CD1 LEU A 66 -0.418 -3.130 0.253 1.00 0.00 C ATOM 955 CD2 LEU A 66 -1.537 -5.196 -0.604 1.00 0.00 C ATOM 0 H LEU A 66 1.042 -3.825 3.249 1.00 0.00 H new ATOM 0 HA LEU A 66 -1.381 -5.500 3.123 1.00 0.00 H new ATOM 0 HB2 LEU A 66 0.933 -4.933 1.259 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -0.100 -6.329 1.023 1.00 0.00 H new ATOM 0 HG LEU A 66 -1.920 -4.249 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.133 -2.530 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.125 -2.593 1.155 1.00 0.00 H new ATOM 0 HD13 LEU A 66 0.463 -3.315 -0.361 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -2.236 -4.568 -1.155 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -0.684 -5.433 -1.239 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -2.035 -6.119 -0.306 1.00 0.00 H new ATOM 967 N LYS A 67 -0.318 -7.727 3.604 1.00 0.00 N ATOM 968 CA LYS A 67 0.247 -8.962 4.135 1.00 0.00 C ATOM 969 C LYS A 67 -0.739 -10.117 3.988 1.00 0.00 C ATOM 970 O LYS A 67 -1.952 -9.923 4.062 1.00 0.00 O ATOM 971 CB LYS A 67 0.625 -8.784 5.607 1.00 0.00 C ATOM 972 CG LYS A 67 -0.542 -8.374 6.489 1.00 0.00 C ATOM 973 CD LYS A 67 -0.202 -7.157 7.333 1.00 0.00 C ATOM 974 CE LYS A 67 0.356 -7.558 8.690 1.00 0.00 C ATOM 975 NZ LYS A 67 -0.531 -7.122 9.804 1.00 0.00 N ATOM 0 H LYS A 67 -1.294 -7.799 3.317 1.00 0.00 H new ATOM 0 HA LYS A 67 1.144 -9.197 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 67 1.042 -9.719 5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 67 1.410 -8.031 5.684 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -1.410 -8.156 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -0.817 -9.204 7.140 1.00 0.00 H new ATOM 0 HD2 LYS A 67 0.526 -6.540 6.807 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.095 -6.548 7.471 1.00 0.00 H new ATOM 0 HE2 LYS A 67 0.480 -8.640 8.727 1.00 0.00 H new ATOM 0 HE3 LYS A 67 1.345 -7.119 8.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -0.117 -7.414 10.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -0.629 -6.087 9.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -1.468 -7.561 9.694 1.00 0.00 H new ATOM 989 N GLN A 68 -0.209 -11.319 3.782 1.00 0.00 N ATOM 990 CA GLN A 68 -1.043 -12.504 3.627 1.00 0.00 C ATOM 991 C GLN A 68 -1.487 -13.039 4.984 1.00 0.00 C ATOM 992 O GLN A 68 -0.666 -13.478 5.788 1.00 0.00 O ATOM 993 CB GLN A 68 -0.285 -13.590 2.860 1.00 0.00 C ATOM 994 CG GLN A 68 -0.440 -13.489 1.351 1.00 0.00 C ATOM 995 CD GLN A 68 -0.382 -14.841 0.667 1.00 0.00 C ATOM 996 OE1 GLN A 68 -0.613 -15.876 1.293 1.00 0.00 O ATOM 997 NE2 GLN A 68 -0.073 -14.839 -0.624 1.00 0.00 N ATOM 0 H GLN A 68 0.793 -11.497 3.719 1.00 0.00 H new ATOM 0 HA GLN A 68 -1.931 -12.221 3.061 1.00 0.00 H new ATOM 0 HB2 GLN A 68 0.774 -13.530 3.113 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -0.637 -14.568 3.188 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -1.391 -13.009 1.118 1.00 0.00 H new ATOM 0 HG3 GLN A 68 0.347 -12.849 0.951 1.00 0.00 H new ATOM 0 HE21 GLN A 68 0.111 -13.957 -1.103 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -0.019 -15.719 -1.137 1.00 0.00 H new ATOM 1006 N ASN A 69 -2.792 -12.999 5.232 1.00 0.00 N ATOM 1007 CA ASN A 69 -3.345 -13.479 6.494 1.00 0.00 C ATOM 1008 C ASN A 69 -2.850 -14.889 6.803 1.00 0.00 C ATOM 1009 O ASN A 69 -2.388 -15.618 5.926 1.00 0.00 O ATOM 1010 CB ASN A 69 -4.874 -13.464 6.443 1.00 0.00 C ATOM 1011 CG ASN A 69 -5.419 -14.186 5.226 1.00 0.00 C ATOM 1012 OD1 ASN A 69 -4.875 -15.205 4.800 1.00 0.00 O ATOM 1013 ND2 ASN A 69 -6.500 -13.660 4.660 1.00 0.00 N ATOM 0 H ASN A 69 -3.486 -12.640 4.577 1.00 0.00 H new ATOM 0 HA ASN A 69 -3.008 -12.812 7.287 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -5.269 -13.930 7.346 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -5.225 -12.432 6.437 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -6.912 -14.102 3.838 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -6.918 -12.814 5.047 1.00 0.00 H new ATOM 1020 N PRO A 70 -2.948 -15.283 8.082 1.00 0.00 N ATOM 1021 CA PRO A 70 -2.516 -16.608 8.537 1.00 0.00 C ATOM 1022 C PRO A 70 -3.052 -17.728 7.652 1.00 0.00 C ATOM 1023 O PRO A 70 -2.442 -18.791 7.545 1.00 0.00 O ATOM 1024 CB PRO A 70 -3.108 -16.709 9.945 1.00 0.00 C ATOM 1025 CG PRO A 70 -3.218 -15.299 10.412 1.00 0.00 C ATOM 1026 CD PRO A 70 -3.489 -14.466 9.181 1.00 0.00 C ATOM 0 HA PRO A 70 -1.432 -16.716 8.507 1.00 0.00 H new ATOM 0 HB2 PRO A 70 -4.082 -17.198 9.931 1.00 0.00 H new ATOM 0 HB3 PRO A 70 -2.466 -17.295 10.603 1.00 0.00 H new ATOM 0 HG2 PRO A 70 -4.023 -15.192 11.139 1.00 0.00 H new ATOM 0 HG3 PRO A 70 -2.299 -14.979 10.904 1.00 0.00 H new ATOM 0 HD2 PRO A 70 -4.555 -14.276 9.052 1.00 0.00 H new ATOM 0 HD3 PRO A 70 -2.997 -13.495 9.238 1.00 0.00 H new ATOM 1034 N GLU A 71 -4.195 -17.481 7.019 1.00 0.00 N ATOM 1035 CA GLU A 71 -4.811 -18.470 6.144 1.00 0.00 C ATOM 1036 C GLU A 71 -3.958 -18.704 4.901 1.00 0.00 C ATOM 1037 O GLU A 71 -3.799 -19.837 4.447 1.00 0.00 O ATOM 1038 CB GLU A 71 -6.215 -18.018 5.735 1.00 0.00 C ATOM 1039 CG GLU A 71 -7.041 -17.479 6.890 1.00 0.00 C ATOM 1040 CD GLU A 71 -8.533 -17.580 6.637 1.00 0.00 C ATOM 1041 OE1 GLU A 71 -9.052 -18.715 6.590 1.00 0.00 O ATOM 1042 OE2 GLU A 71 -9.182 -16.523 6.487 1.00 0.00 O ATOM 0 H GLU A 71 -4.712 -16.605 7.096 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.885 -19.408 6.694 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -6.131 -17.247 4.969 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.742 -18.859 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.792 -18.029 7.798 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.776 -16.437 7.066 1.00 0.00 H new ATOM 1049 N GLY A 72 -3.410 -17.623 4.354 1.00 0.00 N ATOM 1050 CA GLY A 72 -2.581 -17.730 3.168 1.00 0.00 C ATOM 1051 C GLY A 72 -3.117 -16.913 2.009 1.00 0.00 C ATOM 1052 O GLY A 72 -2.834 -17.211 0.849 1.00 0.00 O ATOM 0 H GLY A 72 -3.526 -16.675 4.711 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -1.570 -17.399 3.405 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -2.512 -18.776 2.870 1.00 0.00 H new ATOM 1056 N GLN A 73 -3.893 -15.881 2.324 1.00 0.00 N ATOM 1057 CA GLN A 73 -4.472 -15.021 1.299 1.00 0.00 C ATOM 1058 C GLN A 73 -4.115 -13.559 1.550 1.00 0.00 C ATOM 1059 O GLN A 73 -4.169 -13.083 2.684 1.00 0.00 O ATOM 1060 CB GLN A 73 -5.992 -15.187 1.262 1.00 0.00 C ATOM 1061 CG GLN A 73 -6.694 -14.166 0.382 1.00 0.00 C ATOM 1062 CD GLN A 73 -6.298 -14.280 -1.076 1.00 0.00 C ATOM 1063 OE1 GLN A 73 -5.517 -15.155 -1.453 1.00 0.00 O ATOM 1064 NE2 GLN A 73 -6.835 -13.394 -1.907 1.00 0.00 N ATOM 0 H GLN A 73 -4.135 -15.620 3.280 1.00 0.00 H new ATOM 0 HA GLN A 73 -4.058 -15.318 0.335 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -6.231 -16.188 0.904 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -6.382 -15.109 2.277 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -7.773 -14.295 0.472 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -6.462 -13.163 0.740 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -7.478 -12.686 -1.552 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -6.605 -13.422 -2.900 1.00 0.00 H new ATOM 1073 N TRP A 74 -3.749 -12.854 0.486 1.00 0.00 N ATOM 1074 CA TRP A 74 -3.382 -11.446 0.591 1.00 0.00 C ATOM 1075 C TRP A 74 -4.529 -10.627 1.173 1.00 0.00 C ATOM 1076 O TRP A 74 -5.693 -10.836 0.828 1.00 0.00 O ATOM 1077 CB TRP A 74 -2.991 -10.896 -0.781 1.00 0.00 C ATOM 1078 CG TRP A 74 -1.551 -11.130 -1.126 1.00 0.00 C ATOM 1079 CD1 TRP A 74 -1.066 -11.962 -2.094 1.00 0.00 C ATOM 1080 CD2 TRP A 74 -0.411 -10.527 -0.504 1.00 0.00 C ATOM 1081 NE1 TRP A 74 0.307 -11.912 -2.112 1.00 0.00 N ATOM 1082 CE2 TRP A 74 0.733 -11.039 -1.146 1.00 0.00 C ATOM 1083 CE3 TRP A 74 -0.246 -9.603 0.531 1.00 0.00 C ATOM 1084 CZ2 TRP A 74 2.022 -10.657 -0.785 1.00 0.00 C ATOM 1085 CZ3 TRP A 74 1.034 -9.226 0.889 1.00 0.00 C ATOM 1086 CH2 TRP A 74 2.155 -9.751 0.232 1.00 0.00 C ATOM 0 H TRP A 74 -3.698 -13.234 -0.459 1.00 0.00 H new ATOM 0 HA TRP A 74 -2.527 -11.368 1.263 1.00 0.00 H new ATOM 0 HB2 TRP A 74 -3.619 -11.358 -1.542 1.00 0.00 H new ATOM 0 HB3 TRP A 74 -3.194 -9.825 -0.807 1.00 0.00 H new ATOM 0 HD1 TRP A 74 -1.672 -12.570 -2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 74 0.911 -12.439 -2.742 1.00 0.00 H new ATOM 0 HE3 TRP A 74 -1.104 -9.191 1.042 1.00 0.00 H new ATOM 0 HZ2 TRP A 74 2.887 -11.061 -1.290 1.00 0.00 H new ATOM 0 HZ3 TRP A 74 1.173 -8.514 1.689 1.00 0.00 H new ATOM 0 HH2 TRP A 74 3.142 -9.435 0.534 1.00 0.00 H new ATOM 1097 N THR A 75 -4.194 -9.694 2.059 1.00 0.00 N ATOM 1098 CA THR A 75 -5.196 -8.844 2.689 1.00 0.00 C ATOM 1099 C THR A 75 -4.630 -7.462 2.998 1.00 0.00 C ATOM 1100 O THR A 75 -3.635 -7.335 3.712 1.00 0.00 O ATOM 1101 CB THR A 75 -5.727 -9.472 3.991 1.00 0.00 C ATOM 1102 OG1 THR A 75 -4.655 -10.098 4.705 1.00 0.00 O ATOM 1103 CG2 THR A 75 -6.812 -10.496 3.695 1.00 0.00 C ATOM 0 H THR A 75 -3.236 -9.508 2.356 1.00 0.00 H new ATOM 0 HA THR A 75 -6.018 -8.746 1.980 1.00 0.00 H new ATOM 0 HB THR A 75 -6.156 -8.678 4.603 1.00 0.00 H new ATOM 0 HG1 THR A 75 -3.798 -9.756 4.375 1.00 0.00 H new ATOM 0 HG21 THR A 75 -7.171 -10.926 4.630 1.00 0.00 H new ATOM 0 HG22 THR A 75 -7.639 -10.010 3.177 1.00 0.00 H new ATOM 0 HG23 THR A 75 -6.404 -11.287 3.065 1.00 0.00 H new ATOM 1111 N ILE A 76 -5.270 -6.431 2.457 1.00 0.00 N ATOM 1112 CA ILE A 76 -4.831 -5.059 2.678 1.00 0.00 C ATOM 1113 C ILE A 76 -5.441 -4.484 3.952 1.00 0.00 C ATOM 1114 O ILE A 76 -6.659 -4.490 4.126 1.00 0.00 O ATOM 1115 CB ILE A 76 -5.201 -4.152 1.490 1.00 0.00 C ATOM 1116 CG1 ILE A 76 -4.724 -2.720 1.745 1.00 0.00 C ATOM 1117 CG2 ILE A 76 -6.703 -4.180 1.250 1.00 0.00 C ATOM 1118 CD1 ILE A 76 -4.405 -1.955 0.480 1.00 0.00 C ATOM 0 H ILE A 76 -6.094 -6.520 1.863 1.00 0.00 H new ATOM 0 HA ILE A 76 -3.746 -5.087 2.779 1.00 0.00 H new ATOM 0 HB ILE A 76 -4.702 -4.528 0.596 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -5.493 -2.183 2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -3.836 -2.749 2.376 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.949 -3.534 0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -7.017 -5.200 1.029 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -7.221 -3.826 2.142 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -4.073 -0.949 0.737 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -3.614 -2.469 -0.066 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -5.297 -1.895 -0.144 1.00 0.00 H new ATOM 1130 N MET A 77 -4.585 -3.987 4.839 1.00 0.00 N ATOM 1131 CA MET A 77 -5.040 -3.405 6.096 1.00 0.00 C ATOM 1132 C MET A 77 -4.405 -2.036 6.323 1.00 0.00 C ATOM 1133 O MET A 77 -3.182 -1.901 6.319 1.00 0.00 O ATOM 1134 CB MET A 77 -4.706 -4.335 7.264 1.00 0.00 C ATOM 1135 CG MET A 77 -5.129 -3.787 8.617 1.00 0.00 C ATOM 1136 SD MET A 77 -3.852 -3.981 9.875 1.00 0.00 S ATOM 1137 CE MET A 77 -2.906 -2.480 9.631 1.00 0.00 C ATOM 0 H MET A 77 -3.573 -3.976 4.710 1.00 0.00 H new ATOM 0 HA MET A 77 -6.121 -3.279 6.039 1.00 0.00 H new ATOM 0 HB2 MET A 77 -5.193 -5.297 7.102 1.00 0.00 H new ATOM 0 HB3 MET A 77 -3.632 -4.519 7.275 1.00 0.00 H new ATOM 0 HG2 MET A 77 -5.376 -2.730 8.516 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.036 -4.296 8.944 1.00 0.00 H new ATOM 0 HE1 MET A 77 -1.842 -2.716 9.635 1.00 0.00 H new ATOM 0 HE2 MET A 77 -3.175 -2.032 8.674 1.00 0.00 H new ATOM 0 HE3 MET A 77 -3.125 -1.777 10.435 1.00 0.00 H new ATOM 1147 N ASP A 78 -5.244 -1.025 6.520 1.00 0.00 N ATOM 1148 CA ASP A 78 -4.765 0.333 6.750 1.00 0.00 C ATOM 1149 C ASP A 78 -4.237 0.490 8.172 1.00 0.00 C ATOM 1150 O ASP A 78 -4.690 -0.192 9.091 1.00 0.00 O ATOM 1151 CB ASP A 78 -5.885 1.342 6.494 1.00 0.00 C ATOM 1152 CG ASP A 78 -7.121 1.058 7.324 1.00 0.00 C ATOM 1153 OD1 ASP A 78 -7.089 0.104 8.130 1.00 0.00 O ATOM 1154 OD2 ASP A 78 -8.120 1.790 7.168 1.00 0.00 O ATOM 0 H ASP A 78 -6.260 -1.120 6.525 1.00 0.00 H new ATOM 0 HA ASP A 78 -3.947 0.526 6.055 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -5.524 2.346 6.717 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -6.149 1.326 5.437 1.00 0.00 H new ATOM 1159 N ASN A 79 -3.277 1.392 8.346 1.00 0.00 N ATOM 1160 CA ASN A 79 -2.686 1.637 9.657 1.00 0.00 C ATOM 1161 C ASN A 79 -3.243 2.916 10.274 1.00 0.00 C ATOM 1162 O ASN A 79 -2.529 3.907 10.427 1.00 0.00 O ATOM 1163 CB ASN A 79 -1.164 1.733 9.543 1.00 0.00 C ATOM 1164 CG ASN A 79 -0.464 1.385 10.843 1.00 0.00 C ATOM 1165 OD1 ASN A 79 -0.865 1.835 11.916 1.00 0.00 O ATOM 1166 ND2 ASN A 79 0.589 0.580 10.751 1.00 0.00 N ATOM 0 H ASN A 79 -2.891 1.966 7.596 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.943 0.800 10.306 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -0.818 1.062 8.756 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -0.888 2.744 9.244 1.00 0.00 H new ATOM 0 HD21 ASN A 79 1.100 0.311 11.592 1.00 0.00 H new ATOM 0 HD22 ASN A 79 0.886 0.231 9.840 1.00 0.00 H new ATOM 1173 N LYS A 80 -4.524 2.887 10.627 1.00 0.00 N ATOM 1174 CA LYS A 80 -5.178 4.042 11.230 1.00 0.00 C ATOM 1175 C LYS A 80 -4.967 5.292 10.380 1.00 0.00 C ATOM 1176 O LYS A 80 -4.424 6.290 10.852 1.00 0.00 O ATOM 1177 CB LYS A 80 -4.643 4.278 12.644 1.00 0.00 C ATOM 1178 CG LYS A 80 -5.271 3.373 13.690 1.00 0.00 C ATOM 1179 CD LYS A 80 -5.395 4.076 15.032 1.00 0.00 C ATOM 1180 CE LYS A 80 -4.046 4.197 15.724 1.00 0.00 C ATOM 1181 NZ LYS A 80 -4.105 5.111 16.898 1.00 0.00 N ATOM 0 H LYS A 80 -5.130 2.075 10.506 1.00 0.00 H new ATOM 0 HA LYS A 80 -6.247 3.835 11.283 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -3.564 4.126 12.645 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -4.819 5.317 12.922 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -6.257 3.054 13.352 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -4.667 2.473 13.804 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -5.821 5.069 14.886 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -6.085 3.524 15.671 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -3.714 3.211 16.048 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -3.305 4.565 15.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -3.166 5.167 17.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -4.397 6.059 16.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -4.793 4.747 17.587 1.00 0.00 H new ATOM 1195 N SER A 81 -5.401 5.229 9.125 1.00 0.00 N ATOM 1196 CA SER A 81 -5.257 6.355 8.210 1.00 0.00 C ATOM 1197 C SER A 81 -6.089 7.545 8.677 1.00 0.00 C ATOM 1198 O SER A 81 -6.831 7.453 9.656 1.00 0.00 O ATOM 1199 CB SER A 81 -5.678 5.947 6.797 1.00 0.00 C ATOM 1200 OG SER A 81 -6.823 5.113 6.826 1.00 0.00 O ATOM 0 H SER A 81 -5.855 4.411 8.719 1.00 0.00 H new ATOM 0 HA SER A 81 -4.208 6.650 8.198 1.00 0.00 H new ATOM 0 HB2 SER A 81 -5.888 6.838 6.205 1.00 0.00 H new ATOM 0 HB3 SER A 81 -4.857 5.425 6.306 1.00 0.00 H new ATOM 0 HG SER A 81 -7.604 5.638 7.100 1.00 0.00 H new ATOM 1206 N LEU A 82 -5.960 8.663 7.971 1.00 0.00 N ATOM 1207 CA LEU A 82 -6.699 9.873 8.312 1.00 0.00 C ATOM 1208 C LEU A 82 -7.850 10.101 7.336 1.00 0.00 C ATOM 1209 O LEU A 82 -9.019 10.033 7.714 1.00 0.00 O ATOM 1210 CB LEU A 82 -5.765 11.084 8.307 1.00 0.00 C ATOM 1211 CG LEU A 82 -6.421 12.440 8.569 1.00 0.00 C ATOM 1212 CD1 LEU A 82 -6.458 12.735 10.060 1.00 0.00 C ATOM 1213 CD2 LEU A 82 -5.684 13.542 7.823 1.00 0.00 C ATOM 0 H LEU A 82 -5.350 8.756 7.159 1.00 0.00 H new ATOM 0 HA LEU A 82 -7.114 9.746 9.312 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -4.993 10.925 9.060 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -5.263 11.127 7.340 1.00 0.00 H new ATOM 0 HG LEU A 82 -7.446 12.404 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -6.928 13.704 10.228 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -7.031 11.961 10.570 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -5.441 12.752 10.453 1.00 0.00 H new ATOM 0 HD21 LEU A 82 -6.165 14.500 8.021 1.00 0.00 H new ATOM 0 HD22 LEU A 82 -4.648 13.579 8.160 1.00 0.00 H new ATOM 0 HD23 LEU A 82 -5.710 13.337 6.753 1.00 0.00 H new ATOM 1225 N ASN A 83 -7.510 10.370 6.080 1.00 0.00 N ATOM 1226 CA ASN A 83 -8.515 10.606 5.050 1.00 0.00 C ATOM 1227 C ASN A 83 -9.310 9.336 4.765 1.00 0.00 C ATOM 1228 O ASN A 83 -10.466 9.395 4.347 1.00 0.00 O ATOM 1229 CB ASN A 83 -7.851 11.104 3.765 1.00 0.00 C ATOM 1230 CG ASN A 83 -7.695 12.612 3.742 1.00 0.00 C ATOM 1231 OD1 ASN A 83 -8.681 13.349 3.722 1.00 0.00 O ATOM 1232 ND2 ASN A 83 -6.452 13.079 3.744 1.00 0.00 N ATOM 0 H ASN A 83 -6.546 10.430 5.751 1.00 0.00 H new ATOM 0 HA ASN A 83 -9.202 11.369 5.416 1.00 0.00 H new ATOM 0 HB2 ASN A 83 -6.871 10.638 3.662 1.00 0.00 H new ATOM 0 HB3 ASN A 83 -8.445 10.790 2.907 1.00 0.00 H new ATOM 0 HD21 ASN A 83 -6.285 14.085 3.729 1.00 0.00 H new ATOM 0 HD22 ASN A 83 -5.664 12.432 3.761 1.00 0.00 H new ATOM 1239 N GLY A 84 -8.683 8.186 4.995 1.00 0.00 N ATOM 1240 CA GLY A 84 -9.347 6.918 4.758 1.00 0.00 C ATOM 1241 C GLY A 84 -8.838 6.221 3.512 1.00 0.00 C ATOM 1242 O GLY A 84 -8.328 6.865 2.595 1.00 0.00 O ATOM 0 H GLY A 84 -7.727 8.110 5.341 1.00 0.00 H new ATOM 0 HA2 GLY A 84 -9.200 6.268 5.620 1.00 0.00 H new ATOM 0 HA3 GLY A 84 -10.420 7.085 4.664 1.00 0.00 H new ATOM 1246 N VAL A 85 -8.973 4.899 3.478 1.00 0.00 N ATOM 1247 CA VAL A 85 -8.522 4.113 2.336 1.00 0.00 C ATOM 1248 C VAL A 85 -9.705 3.587 1.529 1.00 0.00 C ATOM 1249 O VAL A 85 -10.755 3.267 2.086 1.00 0.00 O ATOM 1250 CB VAL A 85 -7.650 2.924 2.781 1.00 0.00 C ATOM 1251 CG1 VAL A 85 -7.011 2.250 1.577 1.00 0.00 C ATOM 1252 CG2 VAL A 85 -6.589 3.384 3.771 1.00 0.00 C ATOM 0 H VAL A 85 -9.391 4.350 4.229 1.00 0.00 H new ATOM 0 HA VAL A 85 -7.925 4.777 1.711 1.00 0.00 H new ATOM 0 HB VAL A 85 -8.288 2.194 3.279 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -6.399 1.412 1.911 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -7.790 1.885 0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -6.385 2.968 1.048 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -5.982 2.532 4.075 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -5.953 4.134 3.300 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -7.072 3.817 4.647 1.00 0.00 H new ATOM 1262 N TRP A 86 -9.526 3.501 0.216 1.00 0.00 N ATOM 1263 CA TRP A 86 -10.578 3.013 -0.667 1.00 0.00 C ATOM 1264 C TRP A 86 -10.161 1.712 -1.345 1.00 0.00 C ATOM 1265 O TRP A 86 -8.976 1.477 -1.582 1.00 0.00 O ATOM 1266 CB TRP A 86 -10.915 4.067 -1.723 1.00 0.00 C ATOM 1267 CG TRP A 86 -11.260 5.403 -1.139 1.00 0.00 C ATOM 1268 CD1 TRP A 86 -10.440 6.491 -1.039 1.00 0.00 C ATOM 1269 CD2 TRP A 86 -12.517 5.793 -0.573 1.00 0.00 C ATOM 1270 NE1 TRP A 86 -11.111 7.532 -0.445 1.00 0.00 N ATOM 1271 CE2 TRP A 86 -12.387 7.130 -0.151 1.00 0.00 C ATOM 1272 CE3 TRP A 86 -13.739 5.143 -0.385 1.00 0.00 C ATOM 1273 CZ2 TRP A 86 -13.433 7.826 0.450 1.00 0.00 C ATOM 1274 CZ3 TRP A 86 -14.776 5.834 0.211 1.00 0.00 C ATOM 1275 CH2 TRP A 86 -14.618 7.165 0.622 1.00 0.00 C ATOM 0 H TRP A 86 -8.663 3.763 -0.260 1.00 0.00 H new ATOM 0 HA TRP A 86 -11.464 2.818 -0.062 1.00 0.00 H new ATOM 0 HB2 TRP A 86 -10.065 4.181 -2.396 1.00 0.00 H new ATOM 0 HB3 TRP A 86 -11.753 3.714 -2.324 1.00 0.00 H new ATOM 0 HD1 TRP A 86 -9.415 6.527 -1.377 1.00 0.00 H new ATOM 0 HE1 TRP A 86 -10.722 8.455 -0.254 1.00 0.00 H new ATOM 0 HE3 TRP A 86 -13.871 4.118 -0.700 1.00 0.00 H new ATOM 0 HZ2 TRP A 86 -13.313 8.851 0.769 1.00 0.00 H new ATOM 0 HZ3 TRP A 86 -15.725 5.341 0.363 1.00 0.00 H new ATOM 0 HH2 TRP A 86 -15.448 7.679 1.084 1.00 0.00 H new ATOM 1286 N LEU A 87 -11.141 0.871 -1.654 1.00 0.00 N ATOM 1287 CA LEU A 87 -10.875 -0.407 -2.306 1.00 0.00 C ATOM 1288 C LEU A 87 -12.062 -0.841 -3.160 1.00 0.00 C ATOM 1289 O LEU A 87 -13.003 -1.459 -2.665 1.00 0.00 O ATOM 1290 CB LEU A 87 -10.566 -1.481 -1.260 1.00 0.00 C ATOM 1291 CG LEU A 87 -10.269 -2.879 -1.802 1.00 0.00 C ATOM 1292 CD1 LEU A 87 -9.080 -2.843 -2.749 1.00 0.00 C ATOM 1293 CD2 LEU A 87 -10.013 -3.850 -0.658 1.00 0.00 C ATOM 0 H LEU A 87 -12.127 1.050 -1.464 1.00 0.00 H new ATOM 0 HA LEU A 87 -10.010 -0.281 -2.957 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -9.709 -1.151 -0.672 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -11.413 -1.550 -0.578 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.140 -3.225 -2.359 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -8.884 -3.847 -3.125 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -9.301 -2.179 -3.585 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -8.202 -2.477 -2.217 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -9.803 -4.841 -1.062 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -9.158 -3.508 -0.074 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -10.894 -3.898 -0.018 1.00 0.00 H new ATOM 1305 N ASN A 88 -12.008 -0.513 -4.447 1.00 0.00 N ATOM 1306 CA ASN A 88 -13.078 -0.870 -5.372 1.00 0.00 C ATOM 1307 C ASN A 88 -14.385 -0.186 -4.981 1.00 0.00 C ATOM 1308 O ASN A 88 -15.411 -0.842 -4.799 1.00 0.00 O ATOM 1309 CB ASN A 88 -13.272 -2.387 -5.399 1.00 0.00 C ATOM 1310 CG ASN A 88 -11.965 -3.133 -5.586 1.00 0.00 C ATOM 1311 OD1 ASN A 88 -11.259 -2.933 -6.575 1.00 0.00 O ATOM 1312 ND2 ASN A 88 -11.638 -4.000 -4.635 1.00 0.00 N ATOM 0 H ASN A 88 -11.235 -0.001 -4.873 1.00 0.00 H new ATOM 0 HA ASN A 88 -12.793 -0.529 -6.367 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -13.740 -2.707 -4.468 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -13.956 -2.649 -6.207 1.00 0.00 H new ATOM 0 HD21 ASN A 88 -10.771 -4.533 -4.707 1.00 0.00 H new ATOM 0 HD22 ASN A 88 -12.254 -4.133 -3.833 1.00 0.00 H new ATOM 1319 N ARG A 89 -14.340 1.136 -4.855 1.00 0.00 N ATOM 1320 CA ARG A 89 -15.520 1.909 -4.486 1.00 0.00 C ATOM 1321 C ARG A 89 -16.056 1.468 -3.127 1.00 0.00 C ATOM 1322 O ARG A 89 -17.266 1.369 -2.928 1.00 0.00 O ATOM 1323 CB ARG A 89 -16.609 1.757 -5.549 1.00 0.00 C ATOM 1324 CG ARG A 89 -16.100 1.927 -6.971 1.00 0.00 C ATOM 1325 CD ARG A 89 -15.489 3.304 -7.184 1.00 0.00 C ATOM 1326 NE ARG A 89 -14.867 3.430 -8.499 1.00 0.00 N ATOM 1327 CZ ARG A 89 -15.548 3.680 -9.612 1.00 0.00 C ATOM 1328 NH1 ARG A 89 -16.864 3.831 -9.569 1.00 0.00 N ATOM 1329 NH2 ARG A 89 -14.911 3.781 -10.772 1.00 0.00 N ATOM 0 H ARG A 89 -13.499 1.694 -5.003 1.00 0.00 H new ATOM 0 HA ARG A 89 -15.230 2.958 -4.420 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -17.066 0.772 -5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -17.392 2.492 -5.362 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -15.356 1.160 -7.186 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -16.921 1.780 -7.672 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -16.262 4.064 -7.075 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -14.744 3.493 -6.411 1.00 0.00 H new ATOM 0 HE ARG A 89 -13.855 3.320 -8.567 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -17.357 3.755 -8.679 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -17.384 4.023 -10.426 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -13.898 3.667 -10.809 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -15.434 3.973 -11.626 1.00 0.00 H new ATOM 1343 N ALA A 90 -15.145 1.203 -2.196 1.00 0.00 N ATOM 1344 CA ALA A 90 -15.526 0.774 -0.856 1.00 0.00 C ATOM 1345 C ALA A 90 -14.631 1.413 0.201 1.00 0.00 C ATOM 1346 O ALA A 90 -13.419 1.522 0.017 1.00 0.00 O ATOM 1347 CB ALA A 90 -15.469 -0.743 -0.751 1.00 0.00 C ATOM 0 H ALA A 90 -14.139 1.278 -2.345 1.00 0.00 H new ATOM 0 HA ALA A 90 -16.550 1.102 -0.674 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -15.756 -1.049 0.255 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -16.155 -1.184 -1.474 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -14.455 -1.084 -0.959 1.00 0.00 H new ATOM 1353 N ARG A 91 -15.236 1.833 1.307 1.00 0.00 N ATOM 1354 CA ARG A 91 -14.493 2.463 2.391 1.00 0.00 C ATOM 1355 C ARG A 91 -13.859 1.413 3.298 1.00 0.00 C ATOM 1356 O ARG A 91 -14.499 0.428 3.668 1.00 0.00 O ATOM 1357 CB ARG A 91 -15.415 3.369 3.211 1.00 0.00 C ATOM 1358 CG ARG A 91 -14.674 4.283 4.173 1.00 0.00 C ATOM 1359 CD ARG A 91 -15.346 5.642 4.279 1.00 0.00 C ATOM 1360 NE ARG A 91 -16.008 5.826 5.568 1.00 0.00 N ATOM 1361 CZ ARG A 91 -16.401 7.008 6.031 1.00 0.00 C ATOM 1362 NH1 ARG A 91 -16.199 8.104 5.313 1.00 0.00 N ATOM 1363 NH2 ARG A 91 -16.996 7.094 7.213 1.00 0.00 N ATOM 0 H ARG A 91 -16.238 1.748 1.476 1.00 0.00 H new ATOM 0 HA ARG A 91 -13.699 3.066 1.950 1.00 0.00 H new ATOM 0 HB2 ARG A 91 -16.011 3.978 2.531 1.00 0.00 H new ATOM 0 HB3 ARG A 91 -16.111 2.749 3.776 1.00 0.00 H new ATOM 0 HG2 ARG A 91 -14.632 3.819 5.158 1.00 0.00 H new ATOM 0 HG3 ARG A 91 -13.645 4.410 3.836 1.00 0.00 H new ATOM 0 HD2 ARG A 91 -14.602 6.426 4.138 1.00 0.00 H new ATOM 0 HD3 ARG A 91 -16.077 5.748 3.478 1.00 0.00 H new ATOM 0 HE ARG A 91 -16.178 5.002 6.144 1.00 0.00 H new ATOM 0 HH11 ARG A 91 -15.741 8.041 4.404 1.00 0.00 H new ATOM 0 HH12 ARG A 91 -16.501 9.010 5.670 1.00 0.00 H new ATOM 0 HH21 ARG A 91 -17.152 6.252 7.768 1.00 0.00 H new ATOM 0 HH22 ARG A 91 -17.297 8.002 7.567 1.00 0.00 H new ATOM 1377 N LEU A 92 -12.596 1.628 3.650 1.00 0.00 N ATOM 1378 CA LEU A 92 -11.874 0.700 4.513 1.00 0.00 C ATOM 1379 C LEU A 92 -11.629 1.312 5.888 1.00 0.00 C ATOM 1380 O LEU A 92 -11.079 2.408 6.001 1.00 0.00 O ATOM 1381 CB LEU A 92 -10.541 0.309 3.871 1.00 0.00 C ATOM 1382 CG LEU A 92 -10.609 -0.170 2.421 1.00 0.00 C ATOM 1383 CD1 LEU A 92 -9.250 -0.043 1.752 1.00 0.00 C ATOM 1384 CD2 LEU A 92 -11.105 -1.607 2.356 1.00 0.00 C ATOM 0 H LEU A 92 -12.051 2.437 3.351 1.00 0.00 H new ATOM 0 HA LEU A 92 -12.487 -0.193 4.638 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -9.872 1.169 3.918 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -10.089 -0.480 4.472 1.00 0.00 H new ATOM 0 HG LEU A 92 -11.316 0.462 1.883 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -9.318 -0.389 0.721 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -8.934 1.000 1.765 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -8.521 -0.649 2.290 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -11.147 -1.931 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -10.423 -2.253 2.910 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.101 -1.669 2.796 1.00 0.00 H new ATOM 1396 N GLU A 93 -12.038 0.597 6.931 1.00 0.00 N ATOM 1397 CA GLU A 93 -11.861 1.070 8.299 1.00 0.00 C ATOM 1398 C GLU A 93 -10.423 0.865 8.764 1.00 0.00 C ATOM 1399 O GLU A 93 -9.684 0.036 8.232 1.00 0.00 O ATOM 1400 CB GLU A 93 -12.823 0.344 9.242 1.00 0.00 C ATOM 1401 CG GLU A 93 -14.231 0.914 9.233 1.00 0.00 C ATOM 1402 CD GLU A 93 -15.279 -0.114 9.610 1.00 0.00 C ATOM 1403 OE1 GLU A 93 -15.314 -0.519 10.791 1.00 0.00 O ATOM 1404 OE2 GLU A 93 -16.064 -0.515 8.725 1.00 0.00 O ATOM 0 H GLU A 93 -12.494 -0.312 6.855 1.00 0.00 H new ATOM 0 HA GLU A 93 -12.082 2.137 8.318 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -12.865 -0.709 8.964 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -12.428 0.391 10.257 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -14.284 1.753 9.927 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -14.453 1.307 8.241 1.00 0.00 H new ATOM 1411 N PRO A 94 -10.014 1.638 9.781 1.00 0.00 N ATOM 1412 CA PRO A 94 -8.661 1.560 10.341 1.00 0.00 C ATOM 1413 C PRO A 94 -8.424 0.261 11.104 1.00 0.00 C ATOM 1414 O PRO A 94 -9.242 -0.144 11.931 1.00 0.00 O ATOM 1415 CB PRO A 94 -8.602 2.758 11.292 1.00 0.00 C ATOM 1416 CG PRO A 94 -10.020 3.014 11.668 1.00 0.00 C ATOM 1417 CD PRO A 94 -10.841 2.648 10.463 1.00 0.00 C ATOM 0 HA PRO A 94 -7.896 1.577 9.565 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -7.994 2.537 12.169 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -8.158 3.627 10.807 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -10.308 2.416 12.533 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -10.169 4.059 11.939 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -11.814 2.246 10.746 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -11.027 3.512 9.826 1.00 0.00 H new ATOM 1425 N LEU A 95 -7.300 -0.388 10.822 1.00 0.00 N ATOM 1426 CA LEU A 95 -6.954 -1.642 11.483 1.00 0.00 C ATOM 1427 C LEU A 95 -7.965 -2.733 11.144 1.00 0.00 C ATOM 1428 O LEU A 95 -8.431 -3.456 12.025 1.00 0.00 O ATOM 1429 CB LEU A 95 -6.891 -1.442 12.998 1.00 0.00 C ATOM 1430 CG LEU A 95 -6.177 -0.178 13.479 1.00 0.00 C ATOM 1431 CD1 LEU A 95 -6.073 -0.169 14.997 1.00 0.00 C ATOM 1432 CD2 LEU A 95 -4.796 -0.073 12.848 1.00 0.00 C ATOM 0 H LEU A 95 -6.613 -0.067 10.140 1.00 0.00 H new ATOM 0 HA LEU A 95 -5.974 -1.956 11.123 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -7.910 -1.429 13.385 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -6.393 -2.306 13.438 1.00 0.00 H new ATOM 0 HG LEU A 95 -6.763 0.688 13.170 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -5.562 0.738 15.321 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -7.073 -0.197 15.430 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -5.509 -1.041 15.328 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -4.302 0.832 13.201 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.201 -0.943 13.127 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.894 -0.033 11.763 1.00 0.00 H new ATOM 1444 N ARG A 96 -8.298 -2.846 9.863 1.00 0.00 N ATOM 1445 CA ARG A 96 -9.253 -3.849 9.407 1.00 0.00 C ATOM 1446 C ARG A 96 -8.654 -4.703 8.293 1.00 0.00 C ATOM 1447 O ARG A 96 -7.821 -4.235 7.517 1.00 0.00 O ATOM 1448 CB ARG A 96 -10.536 -3.177 8.916 1.00 0.00 C ATOM 1449 CG ARG A 96 -11.782 -4.025 9.115 1.00 0.00 C ATOM 1450 CD ARG A 96 -12.672 -3.459 10.210 1.00 0.00 C ATOM 1451 NE ARG A 96 -13.291 -4.512 11.011 1.00 0.00 N ATOM 1452 CZ ARG A 96 -14.223 -5.337 10.547 1.00 0.00 C ATOM 1453 NH1 ARG A 96 -14.642 -5.231 9.293 1.00 0.00 N ATOM 1454 NH2 ARG A 96 -14.738 -6.270 11.337 1.00 0.00 N ATOM 0 H ARG A 96 -7.921 -2.255 9.122 1.00 0.00 H new ATOM 0 HA ARG A 96 -9.491 -4.497 10.250 1.00 0.00 H new ATOM 0 HB2 ARG A 96 -10.664 -2.230 9.440 1.00 0.00 H new ATOM 0 HB3 ARG A 96 -10.431 -2.943 7.857 1.00 0.00 H new ATOM 0 HG2 ARG A 96 -12.341 -4.077 8.181 1.00 0.00 H new ATOM 0 HG3 ARG A 96 -11.493 -5.044 9.370 1.00 0.00 H new ATOM 0 HD2 ARG A 96 -12.082 -2.810 10.858 1.00 0.00 H new ATOM 0 HD3 ARG A 96 -13.449 -2.840 9.762 1.00 0.00 H new ATOM 0 HE ARG A 96 -12.991 -4.620 11.980 1.00 0.00 H new ATOM 0 HH11 ARG A 96 -14.248 -4.515 8.683 1.00 0.00 H new ATOM 0 HH12 ARG A 96 -15.358 -5.866 8.939 1.00 0.00 H new ATOM 0 HH21 ARG A 96 -14.418 -6.354 12.302 1.00 0.00 H new ATOM 0 HH22 ARG A 96 -15.454 -6.903 10.979 1.00 0.00 H new ATOM 1468 N VAL A 97 -9.085 -5.959 8.220 1.00 0.00 N ATOM 1469 CA VAL A 97 -8.593 -6.878 7.201 1.00 0.00 C ATOM 1470 C VAL A 97 -9.556 -6.958 6.022 1.00 0.00 C ATOM 1471 O VAL A 97 -10.767 -7.082 6.204 1.00 0.00 O ATOM 1472 CB VAL A 97 -8.382 -8.291 7.775 1.00 0.00 C ATOM 1473 CG1 VAL A 97 -7.703 -9.188 6.750 1.00 0.00 C ATOM 1474 CG2 VAL A 97 -7.571 -8.229 9.060 1.00 0.00 C ATOM 0 H VAL A 97 -9.774 -6.363 8.855 1.00 0.00 H new ATOM 0 HA VAL A 97 -7.635 -6.487 6.858 1.00 0.00 H new ATOM 0 HB VAL A 97 -9.357 -8.718 8.008 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -7.562 -10.182 7.173 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -8.326 -9.258 5.858 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -6.734 -8.767 6.483 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -7.432 -9.237 9.451 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -6.598 -7.782 8.855 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -8.101 -7.624 9.796 1.00 0.00 H new ATOM 1484 N TYR A 98 -9.010 -6.887 4.813 1.00 0.00 N ATOM 1485 CA TYR A 98 -9.821 -6.950 3.603 1.00 0.00 C ATOM 1486 C TYR A 98 -9.162 -7.837 2.551 1.00 0.00 C ATOM 1487 O TYR A 98 -8.023 -7.602 2.150 1.00 0.00 O ATOM 1488 CB TYR A 98 -10.041 -5.546 3.038 1.00 0.00 C ATOM 1489 CG TYR A 98 -10.992 -4.704 3.858 1.00 0.00 C ATOM 1490 CD1 TYR A 98 -12.364 -4.913 3.798 1.00 0.00 C ATOM 1491 CD2 TYR A 98 -10.518 -3.701 4.695 1.00 0.00 C ATOM 1492 CE1 TYR A 98 -13.237 -4.146 4.545 1.00 0.00 C ATOM 1493 CE2 TYR A 98 -11.383 -2.930 5.447 1.00 0.00 C ATOM 1494 CZ TYR A 98 -12.742 -3.156 5.368 1.00 0.00 C ATOM 1495 OH TYR A 98 -13.608 -2.391 6.115 1.00 0.00 O ATOM 0 H TYR A 98 -8.009 -6.786 4.645 1.00 0.00 H new ATOM 0 HA TYR A 98 -10.786 -7.384 3.865 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -9.080 -5.035 2.974 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -10.427 -5.629 2.022 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -12.755 -5.689 3.156 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -9.455 -3.521 4.759 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -14.301 -4.321 4.485 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -10.998 -2.155 6.093 1.00 0.00 H new ATOM 0 HH TYR A 98 -13.307 -2.373 7.048 1.00 0.00 H new ATOM 1505 N SER A 99 -9.889 -8.858 2.108 1.00 0.00 N ATOM 1506 CA SER A 99 -9.376 -9.783 1.105 1.00 0.00 C ATOM 1507 C SER A 99 -9.396 -9.147 -0.282 1.00 0.00 C ATOM 1508 O SER A 99 -10.437 -8.681 -0.748 1.00 0.00 O ATOM 1509 CB SER A 99 -10.200 -11.072 1.099 1.00 0.00 C ATOM 1510 OG SER A 99 -11.374 -10.929 1.881 1.00 0.00 O ATOM 0 H SER A 99 -10.835 -9.065 2.428 1.00 0.00 H new ATOM 0 HA SER A 99 -8.344 -10.021 1.362 1.00 0.00 H new ATOM 0 HB2 SER A 99 -10.470 -11.330 0.075 1.00 0.00 H new ATOM 0 HB3 SER A 99 -9.598 -11.894 1.487 1.00 0.00 H new ATOM 0 HG SER A 99 -11.885 -11.765 1.860 1.00 0.00 H new ATOM 1516 N ILE A 100 -8.239 -9.131 -0.936 1.00 0.00 N ATOM 1517 CA ILE A 100 -8.124 -8.554 -2.269 1.00 0.00 C ATOM 1518 C ILE A 100 -7.896 -9.636 -3.319 1.00 0.00 C ATOM 1519 O ILE A 100 -7.470 -10.746 -2.999 1.00 0.00 O ATOM 1520 CB ILE A 100 -6.973 -7.533 -2.342 1.00 0.00 C ATOM 1521 CG1 ILE A 100 -5.633 -8.222 -2.078 1.00 0.00 C ATOM 1522 CG2 ILE A 100 -7.201 -6.406 -1.346 1.00 0.00 C ATOM 1523 CD1 ILE A 100 -4.446 -7.288 -2.159 1.00 0.00 C ATOM 0 H ILE A 100 -7.369 -9.511 -0.564 1.00 0.00 H new ATOM 0 HA ILE A 100 -9.065 -8.044 -2.475 1.00 0.00 H new ATOM 0 HB ILE A 100 -6.949 -7.106 -3.345 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -5.658 -8.680 -1.089 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -5.500 -9.028 -2.799 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -6.379 -5.693 -1.409 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -8.139 -5.901 -1.577 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -7.248 -6.816 -0.337 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.530 -7.845 -1.961 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.395 -6.849 -3.156 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.556 -6.495 -1.419 1.00 0.00 H new ATOM 1535 N HIS A 101 -8.182 -9.304 -4.574 1.00 0.00 N ATOM 1536 CA HIS A 101 -8.006 -10.247 -5.673 1.00 0.00 C ATOM 1537 C HIS A 101 -7.640 -9.518 -6.962 1.00 0.00 C ATOM 1538 O HIS A 101 -7.659 -8.288 -7.016 1.00 0.00 O ATOM 1539 CB HIS A 101 -9.281 -11.065 -5.880 1.00 0.00 C ATOM 1540 CG HIS A 101 -9.779 -11.724 -4.631 1.00 0.00 C ATOM 1541 ND1 HIS A 101 -9.385 -12.986 -4.237 1.00 0.00 N ATOM 1542 CD2 HIS A 101 -10.643 -11.289 -3.684 1.00 0.00 C ATOM 1543 CE1 HIS A 101 -9.987 -13.298 -3.103 1.00 0.00 C ATOM 1544 NE2 HIS A 101 -10.755 -12.285 -2.746 1.00 0.00 N ATOM 0 H HIS A 101 -8.536 -8.390 -4.855 1.00 0.00 H new ATOM 0 HA HIS A 101 -7.189 -10.921 -5.414 1.00 0.00 H new ATOM 0 HB2 HIS A 101 -10.061 -10.413 -6.273 1.00 0.00 H new ATOM 0 HB3 HIS A 101 -9.094 -11.829 -6.634 1.00 0.00 H new ATOM 0 HD2 HIS A 101 -11.150 -10.336 -3.669 1.00 0.00 H new ATOM 0 HE1 HIS A 101 -9.871 -14.224 -2.560 1.00 0.00 H new ATOM 0 HE2 HIS A 101 -11.337 -12.248 -1.909 1.00 0.00 H new ATOM 1552 N GLN A 102 -7.309 -10.284 -7.996 1.00 0.00 N ATOM 1553 CA GLN A 102 -6.938 -9.709 -9.284 1.00 0.00 C ATOM 1554 C GLN A 102 -8.040 -8.796 -9.810 1.00 0.00 C ATOM 1555 O GLN A 102 -9.199 -9.197 -9.909 1.00 0.00 O ATOM 1556 CB GLN A 102 -6.651 -10.818 -10.298 1.00 0.00 C ATOM 1557 CG GLN A 102 -6.162 -10.302 -11.642 1.00 0.00 C ATOM 1558 CD GLN A 102 -4.651 -10.218 -11.720 1.00 0.00 C ATOM 1559 OE1 GLN A 102 -3.942 -10.764 -10.873 1.00 0.00 O ATOM 1560 NE2 GLN A 102 -4.148 -9.532 -12.739 1.00 0.00 N ATOM 0 H GLN A 102 -7.290 -11.303 -7.968 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.036 -9.114 -9.141 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -5.903 -11.493 -9.883 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -7.558 -11.403 -10.451 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -6.527 -10.957 -12.433 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -6.587 -9.315 -11.824 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -4.772 -9.096 -13.418 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -3.137 -9.441 -12.843 1.00 0.00 H new ATOM 1569 N GLY A 103 -7.671 -7.563 -10.147 1.00 0.00 N ATOM 1570 CA GLY A 103 -8.641 -6.612 -10.659 1.00 0.00 C ATOM 1571 C GLY A 103 -9.124 -5.648 -9.594 1.00 0.00 C ATOM 1572 O GLY A 103 -10.194 -5.052 -9.726 1.00 0.00 O ATOM 0 H GLY A 103 -6.718 -7.206 -10.075 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -8.196 -6.049 -11.479 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -9.494 -7.153 -11.069 1.00 0.00 H new ATOM 1576 N ASP A 104 -8.336 -5.494 -8.536 1.00 0.00 N ATOM 1577 CA ASP A 104 -8.690 -4.595 -7.443 1.00 0.00 C ATOM 1578 C ASP A 104 -8.097 -3.208 -7.667 1.00 0.00 C ATOM 1579 O ASP A 104 -7.201 -3.030 -8.493 1.00 0.00 O ATOM 1580 CB ASP A 104 -8.202 -5.163 -6.109 1.00 0.00 C ATOM 1581 CG ASP A 104 -9.175 -6.161 -5.514 1.00 0.00 C ATOM 1582 OD1 ASP A 104 -9.876 -6.842 -6.292 1.00 0.00 O ATOM 1583 OD2 ASP A 104 -9.237 -6.262 -4.271 1.00 0.00 O ATOM 0 H ASP A 104 -7.448 -5.980 -8.412 1.00 0.00 H new ATOM 0 HA ASP A 104 -9.776 -4.506 -7.415 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -7.235 -5.645 -6.255 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -8.048 -4.346 -5.404 1.00 0.00 H new ATOM 1588 N TYR A 105 -8.603 -2.227 -6.928 1.00 0.00 N ATOM 1589 CA TYR A 105 -8.126 -0.855 -7.048 1.00 0.00 C ATOM 1590 C TYR A 105 -7.935 -0.222 -5.673 1.00 0.00 C ATOM 1591 O TYR A 105 -8.902 0.039 -4.957 1.00 0.00 O ATOM 1592 CB TYR A 105 -9.109 -0.022 -7.872 1.00 0.00 C ATOM 1593 CG TYR A 105 -8.669 0.193 -9.303 1.00 0.00 C ATOM 1594 CD1 TYR A 105 -8.615 -0.866 -10.201 1.00 0.00 C ATOM 1595 CD2 TYR A 105 -8.307 1.456 -9.757 1.00 0.00 C ATOM 1596 CE1 TYR A 105 -8.213 -0.674 -11.508 1.00 0.00 C ATOM 1597 CE2 TYR A 105 -7.905 1.657 -11.063 1.00 0.00 C ATOM 1598 CZ TYR A 105 -7.859 0.589 -11.935 1.00 0.00 C ATOM 1599 OH TYR A 105 -7.459 0.784 -13.237 1.00 0.00 O ATOM 0 H TYR A 105 -9.344 -2.357 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 105 -7.162 -0.876 -7.556 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -10.081 -0.515 -7.870 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -9.242 0.948 -7.392 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -8.892 -1.856 -9.871 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -8.341 2.294 -9.077 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -8.176 -1.509 -12.193 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -7.628 2.645 -11.400 1.00 0.00 H new ATOM 0 HH TYR A 105 -7.246 1.730 -13.375 1.00 0.00 H new ATOM 1609 N ILE A 106 -6.680 0.022 -5.310 1.00 0.00 N ATOM 1610 CA ILE A 106 -6.360 0.625 -4.023 1.00 0.00 C ATOM 1611 C ILE A 106 -6.089 2.119 -4.168 1.00 0.00 C ATOM 1612 O ILE A 106 -5.290 2.535 -5.006 1.00 0.00 O ATOM 1613 CB ILE A 106 -5.136 -0.047 -3.374 1.00 0.00 C ATOM 1614 CG1 ILE A 106 -5.390 -1.544 -3.182 1.00 0.00 C ATOM 1615 CG2 ILE A 106 -4.810 0.616 -2.044 1.00 0.00 C ATOM 1616 CD1 ILE A 106 -5.027 -2.378 -4.390 1.00 0.00 C ATOM 0 H ILE A 106 -5.868 -0.189 -5.890 1.00 0.00 H new ATOM 0 HA ILE A 106 -7.228 0.476 -3.381 1.00 0.00 H new ATOM 0 HB ILE A 106 -4.280 0.075 -4.037 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -4.817 -1.894 -2.323 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -6.443 -1.698 -2.947 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.943 0.130 -1.598 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.590 1.671 -2.208 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -5.663 0.523 -1.372 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -5.233 -3.428 -4.182 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.618 -2.055 -5.247 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -3.967 -2.253 -4.613 1.00 0.00 H new ATOM 1628 N GLN A 107 -6.758 2.919 -3.344 1.00 0.00 N ATOM 1629 CA GLN A 107 -6.588 4.366 -3.380 1.00 0.00 C ATOM 1630 C GLN A 107 -5.951 4.872 -2.090 1.00 0.00 C ATOM 1631 O GLN A 107 -6.164 4.306 -1.017 1.00 0.00 O ATOM 1632 CB GLN A 107 -7.936 5.054 -3.600 1.00 0.00 C ATOM 1633 CG GLN A 107 -7.833 6.367 -4.360 1.00 0.00 C ATOM 1634 CD GLN A 107 -9.183 7.017 -4.588 1.00 0.00 C ATOM 1635 OE1 GLN A 107 -9.475 8.060 -3.820 1.00 0.00 O flip ATOM 1636 NE2 GLN A 107 -9.955 6.587 -5.445 1.00 0.00 N flip ATOM 0 H GLN A 107 -7.422 2.589 -2.644 1.00 0.00 H new ATOM 0 HA GLN A 107 -5.925 4.607 -4.211 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -8.594 4.378 -4.146 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -8.402 5.240 -2.632 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.192 7.053 -3.806 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -7.353 6.189 -5.322 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.690 5.782 -6.013 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.860 7.035 -5.587 1.00 0.00 H new ATOM 1645 N LEU A 108 -5.168 5.939 -2.202 1.00 0.00 N ATOM 1646 CA LEU A 108 -4.498 6.521 -1.044 1.00 0.00 C ATOM 1647 C LEU A 108 -4.794 8.014 -0.937 1.00 0.00 C ATOM 1648 O LEU A 108 -4.016 8.846 -1.402 1.00 0.00 O ATOM 1649 CB LEU A 108 -2.988 6.294 -1.135 1.00 0.00 C ATOM 1650 CG LEU A 108 -2.536 4.841 -1.283 1.00 0.00 C ATOM 1651 CD1 LEU A 108 -1.021 4.762 -1.391 1.00 0.00 C ATOM 1652 CD2 LEU A 108 -3.034 4.006 -0.113 1.00 0.00 C ATOM 0 H LEU A 108 -4.981 6.419 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.879 6.028 -0.150 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -2.606 6.861 -1.984 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -2.524 6.709 -0.240 1.00 0.00 H new ATOM 0 HG LEU A 108 -2.966 4.438 -2.200 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -0.718 3.720 -1.496 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -0.688 5.326 -2.262 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -0.570 5.183 -0.492 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.703 2.975 -0.235 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.633 4.408 0.818 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.123 4.036 -0.082 1.00 0.00 H new ATOM 1664 N GLY A 109 -5.924 8.346 -0.320 1.00 0.00 N ATOM 1665 CA GLY A 109 -6.301 9.738 -0.162 1.00 0.00 C ATOM 1666 C GLY A 109 -7.351 10.172 -1.165 1.00 0.00 C ATOM 1667 O GLY A 109 -7.158 10.039 -2.374 1.00 0.00 O ATOM 0 H GLY A 109 -6.585 7.676 0.073 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -6.680 9.896 0.848 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -5.417 10.365 -0.272 1.00 0.00 H new ATOM 1671 N VAL A 110 -8.468 10.691 -0.665 1.00 0.00 N ATOM 1672 CA VAL A 110 -9.553 11.145 -1.526 1.00 0.00 C ATOM 1673 C VAL A 110 -9.041 12.098 -2.600 1.00 0.00 C ATOM 1674 O VAL A 110 -8.004 12.744 -2.448 1.00 0.00 O ATOM 1675 CB VAL A 110 -10.656 11.850 -0.714 1.00 0.00 C ATOM 1676 CG1 VAL A 110 -11.517 10.830 0.015 1.00 0.00 C ATOM 1677 CG2 VAL A 110 -10.046 12.842 0.265 1.00 0.00 C ATOM 0 H VAL A 110 -8.645 10.807 0.333 1.00 0.00 H new ATOM 0 HA VAL A 110 -9.972 10.258 -2.001 1.00 0.00 H new ATOM 0 HB VAL A 110 -11.294 12.402 -1.404 1.00 0.00 H new ATOM 0 HG11 VAL A 110 -12.291 11.347 0.583 1.00 0.00 H new ATOM 0 HG12 VAL A 110 -11.984 10.163 -0.710 1.00 0.00 H new ATOM 0 HG13 VAL A 110 -10.895 10.248 0.695 1.00 0.00 H new ATOM 0 HG21 VAL A 110 -10.840 13.331 0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 110 -9.383 12.315 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 110 -9.477 13.592 -0.284 1.00 0.00 H new ATOM 1687 N PRO A 111 -9.783 12.189 -3.713 1.00 0.00 N ATOM 1688 CA PRO A 111 -9.424 13.062 -4.835 1.00 0.00 C ATOM 1689 C PRO A 111 -9.579 14.539 -4.493 1.00 0.00 C ATOM 1690 O PRO A 111 -10.290 14.899 -3.553 1.00 0.00 O ATOM 1691 CB PRO A 111 -10.416 12.659 -5.929 1.00 0.00 C ATOM 1692 CG PRO A 111 -11.588 12.108 -5.193 1.00 0.00 C ATOM 1693 CD PRO A 111 -11.031 11.448 -3.962 1.00 0.00 C ATOM 0 HA PRO A 111 -8.379 12.946 -5.124 1.00 0.00 H new ATOM 0 HB2 PRO A 111 -10.700 13.515 -6.541 1.00 0.00 H new ATOM 0 HB3 PRO A 111 -9.985 11.916 -6.600 1.00 0.00 H new ATOM 0 HG2 PRO A 111 -12.290 12.899 -4.928 1.00 0.00 H new ATOM 0 HG3 PRO A 111 -12.133 11.391 -5.807 1.00 0.00 H new ATOM 0 HD2 PRO A 111 -11.718 11.524 -3.119 1.00 0.00 H new ATOM 0 HD3 PRO A 111 -10.843 10.387 -4.125 1.00 0.00 H new ATOM 1701 N LEU A 112 -8.910 15.393 -5.260 1.00 0.00 N ATOM 1702 CA LEU A 112 -8.974 16.833 -5.038 1.00 0.00 C ATOM 1703 C LEU A 112 -10.039 17.474 -5.922 1.00 0.00 C ATOM 1704 O LEU A 112 -10.575 16.834 -6.826 1.00 0.00 O ATOM 1705 CB LEU A 112 -7.612 17.473 -5.316 1.00 0.00 C ATOM 1706 CG LEU A 112 -6.459 17.012 -4.424 1.00 0.00 C ATOM 1707 CD1 LEU A 112 -5.138 17.095 -5.173 1.00 0.00 C ATOM 1708 CD2 LEU A 112 -6.405 17.844 -3.150 1.00 0.00 C ATOM 0 H LEU A 112 -8.317 15.113 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 112 -9.243 17.003 -3.995 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.344 17.274 -6.354 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -7.713 18.554 -5.215 1.00 0.00 H new ATOM 0 HG LEU A 112 -6.632 15.972 -4.148 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -4.329 16.763 -4.522 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -5.179 16.456 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -4.957 18.125 -5.479 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -5.579 17.502 -2.527 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -6.256 18.893 -3.406 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -7.341 17.733 -2.603 1.00 0.00 H new ATOM 1800 N ALA A 118 -8.364 10.187 -7.804 1.00 0.00 N ATOM 1801 CA ALA A 118 -7.135 10.156 -7.022 1.00 0.00 C ATOM 1802 C ALA A 118 -5.929 9.851 -7.904 1.00 0.00 C ATOM 1803 O ALA A 118 -5.871 8.806 -8.551 1.00 0.00 O ATOM 1804 CB ALA A 118 -7.246 9.129 -5.905 1.00 0.00 C ATOM 0 HA ALA A 118 -6.990 11.143 -6.582 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -6.321 9.117 -5.329 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -8.077 9.391 -5.251 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.420 8.142 -6.334 1.00 0.00 H new ATOM 1810 N GLU A 119 -4.970 10.771 -7.927 1.00 0.00 N ATOM 1811 CA GLU A 119 -3.767 10.600 -8.733 1.00 0.00 C ATOM 1812 C GLU A 119 -3.028 9.324 -8.342 1.00 0.00 C ATOM 1813 O GLU A 119 -2.545 8.586 -9.201 1.00 0.00 O ATOM 1814 CB GLU A 119 -2.842 11.808 -8.571 1.00 0.00 C ATOM 1815 CG GLU A 119 -2.460 12.094 -7.128 1.00 0.00 C ATOM 1816 CD GLU A 119 -1.672 13.380 -6.977 1.00 0.00 C ATOM 1817 OE1 GLU A 119 -2.270 14.465 -7.134 1.00 0.00 O ATOM 1818 OE2 GLU A 119 -0.457 13.302 -6.701 1.00 0.00 O ATOM 0 H GLU A 119 -5.003 11.642 -7.397 1.00 0.00 H new ATOM 0 HA GLU A 119 -4.068 10.520 -9.777 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.935 11.641 -9.152 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -3.331 12.688 -8.990 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -3.364 12.153 -6.522 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -1.870 11.263 -6.741 1.00 0.00 H new ATOM 1825 N TYR A 120 -2.943 9.071 -7.040 1.00 0.00 N ATOM 1826 CA TYR A 120 -2.260 7.886 -6.535 1.00 0.00 C ATOM 1827 C TYR A 120 -3.201 6.686 -6.506 1.00 0.00 C ATOM 1828 O TYR A 120 -4.009 6.540 -5.589 1.00 0.00 O ATOM 1829 CB TYR A 120 -1.708 8.150 -5.133 1.00 0.00 C ATOM 1830 CG TYR A 120 -0.326 8.762 -5.131 1.00 0.00 C ATOM 1831 CD1 TYR A 120 0.762 8.071 -5.651 1.00 0.00 C ATOM 1832 CD2 TYR A 120 -0.106 10.030 -4.609 1.00 0.00 C ATOM 1833 CE1 TYR A 120 2.027 8.625 -5.652 1.00 0.00 C ATOM 1834 CE2 TYR A 120 1.155 10.593 -4.606 1.00 0.00 C ATOM 1835 CZ TYR A 120 2.218 9.887 -5.129 1.00 0.00 C ATOM 1836 OH TYR A 120 3.477 10.444 -5.127 1.00 0.00 O ATOM 0 H TYR A 120 -3.339 9.671 -6.316 1.00 0.00 H new ATOM 0 HA TYR A 120 -1.433 7.659 -7.208 1.00 0.00 H new ATOM 0 HB2 TYR A 120 -2.391 8.814 -4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 120 -1.681 7.211 -4.580 1.00 0.00 H new ATOM 0 HD1 TYR A 120 0.616 7.083 -6.062 1.00 0.00 H new ATOM 0 HD2 TYR A 120 -0.936 10.586 -4.198 1.00 0.00 H new ATOM 0 HE1 TYR A 120 2.861 8.074 -6.060 1.00 0.00 H new ATOM 0 HE2 TYR A 120 1.308 11.581 -4.196 1.00 0.00 H new ATOM 0 HH TYR A 120 3.987 10.102 -5.891 1.00 0.00 H new ATOM 1846 N GLU A 121 -3.089 5.830 -7.517 1.00 0.00 N ATOM 1847 CA GLU A 121 -3.930 4.642 -7.608 1.00 0.00 C ATOM 1848 C GLU A 121 -3.158 3.474 -8.215 1.00 0.00 C ATOM 1849 O GLU A 121 -2.280 3.667 -9.056 1.00 0.00 O ATOM 1850 CB GLU A 121 -5.176 4.935 -8.446 1.00 0.00 C ATOM 1851 CG GLU A 121 -6.364 5.407 -7.625 1.00 0.00 C ATOM 1852 CD GLU A 121 -7.246 4.263 -7.164 1.00 0.00 C ATOM 1853 OE1 GLU A 121 -6.792 3.102 -7.227 1.00 0.00 O ATOM 1854 OE2 GLU A 121 -8.391 4.529 -6.741 1.00 0.00 O ATOM 0 H GLU A 121 -2.425 5.937 -8.284 1.00 0.00 H new ATOM 0 HA GLU A 121 -4.236 4.367 -6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 121 -4.934 5.695 -9.189 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -5.457 4.034 -8.991 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -6.004 5.957 -6.755 1.00 0.00 H new ATOM 0 HG3 GLU A 121 -6.958 6.102 -8.218 1.00 0.00 H new ATOM 1861 N TYR A 122 -3.491 2.263 -7.782 1.00 0.00 N ATOM 1862 CA TYR A 122 -2.828 1.064 -8.280 1.00 0.00 C ATOM 1863 C TYR A 122 -3.849 0.010 -8.696 1.00 0.00 C ATOM 1864 O TYR A 122 -5.057 0.229 -8.602 1.00 0.00 O ATOM 1865 CB TYR A 122 -1.894 0.492 -7.213 1.00 0.00 C ATOM 1866 CG TYR A 122 -1.015 1.533 -6.557 1.00 0.00 C ATOM 1867 CD1 TYR A 122 -1.480 2.289 -5.488 1.00 0.00 C ATOM 1868 CD2 TYR A 122 0.280 1.761 -7.007 1.00 0.00 C ATOM 1869 CE1 TYR A 122 -0.681 3.241 -4.885 1.00 0.00 C ATOM 1870 CE2 TYR A 122 1.086 2.711 -6.409 1.00 0.00 C ATOM 1871 CZ TYR A 122 0.602 3.448 -5.350 1.00 0.00 C ATOM 1872 OH TYR A 122 1.401 4.396 -4.753 1.00 0.00 O ATOM 0 H TYR A 122 -4.216 2.086 -7.087 1.00 0.00 H new ATOM 0 HA TYR A 122 -2.241 1.341 -9.156 1.00 0.00 H new ATOM 0 HB2 TYR A 122 -2.491 -0.002 -6.447 1.00 0.00 H new ATOM 0 HB3 TYR A 122 -1.262 -0.271 -7.667 1.00 0.00 H new ATOM 0 HD1 TYR A 122 -2.484 2.130 -5.122 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.663 1.186 -7.838 1.00 0.00 H new ATOM 0 HE1 TYR A 122 -1.058 3.820 -4.055 1.00 0.00 H new ATOM 0 HE2 TYR A 122 2.091 2.875 -6.770 1.00 0.00 H new ATOM 0 HH TYR A 122 2.274 4.416 -5.198 1.00 0.00 H new ATOM 1882 N GLU A 123 -3.354 -1.135 -9.156 1.00 0.00 N ATOM 1883 CA GLU A 123 -4.224 -2.224 -9.587 1.00 0.00 C ATOM 1884 C GLU A 123 -3.578 -3.578 -9.306 1.00 0.00 C ATOM 1885 O GLU A 123 -2.572 -3.937 -9.917 1.00 0.00 O ATOM 1886 CB GLU A 123 -4.538 -2.096 -11.079 1.00 0.00 C ATOM 1887 CG GLU A 123 -5.500 -3.154 -11.591 1.00 0.00 C ATOM 1888 CD GLU A 123 -5.373 -3.384 -13.084 1.00 0.00 C ATOM 1889 OE1 GLU A 123 -4.626 -2.627 -13.739 1.00 0.00 O ATOM 1890 OE2 GLU A 123 -6.020 -4.320 -13.598 1.00 0.00 O ATOM 0 H GLU A 123 -2.357 -1.333 -9.240 1.00 0.00 H new ATOM 0 HA GLU A 123 -5.153 -2.159 -9.021 1.00 0.00 H new ATOM 0 HB2 GLU A 123 -4.961 -1.110 -11.269 1.00 0.00 H new ATOM 0 HB3 GLU A 123 -3.608 -2.158 -11.644 1.00 0.00 H new ATOM 0 HG2 GLU A 123 -5.316 -4.091 -11.066 1.00 0.00 H new ATOM 0 HG3 GLU A 123 -6.522 -2.853 -11.359 1.00 0.00 H new ATOM 1897 N VAL A 124 -4.166 -4.326 -8.377 1.00 0.00 N ATOM 1898 CA VAL A 124 -3.650 -5.641 -8.015 1.00 0.00 C ATOM 1899 C VAL A 124 -3.558 -6.550 -9.235 1.00 0.00 C ATOM 1900 O VAL A 124 -4.558 -6.811 -9.906 1.00 0.00 O ATOM 1901 CB VAL A 124 -4.533 -6.316 -6.950 1.00 0.00 C ATOM 1902 CG1 VAL A 124 -3.940 -7.654 -6.534 1.00 0.00 C ATOM 1903 CG2 VAL A 124 -4.708 -5.403 -5.746 1.00 0.00 C ATOM 0 H VAL A 124 -5.000 -4.044 -7.862 1.00 0.00 H new ATOM 0 HA VAL A 124 -2.652 -5.488 -7.604 1.00 0.00 H new ATOM 0 HB VAL A 124 -5.516 -6.501 -7.382 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -4.578 -8.116 -5.781 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -3.873 -8.308 -7.403 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -2.944 -7.498 -6.120 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -5.335 -5.896 -5.003 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -3.733 -5.184 -5.310 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -5.182 -4.473 -6.060 1.00 0.00 H new ATOM 1913 N THR A 125 -2.352 -7.032 -9.518 1.00 0.00 N ATOM 1914 CA THR A 125 -2.129 -7.912 -10.658 1.00 0.00 C ATOM 1915 C THR A 125 -0.953 -8.850 -10.407 1.00 0.00 C ATOM 1916 O THR A 125 0.056 -8.451 -9.827 1.00 0.00 O ATOM 1917 CB THR A 125 -1.864 -7.109 -11.945 1.00 0.00 C ATOM 1918 OG1 THR A 125 -1.754 -7.997 -13.063 1.00 0.00 O ATOM 1919 CG2 THR A 125 -0.591 -6.286 -11.817 1.00 0.00 C ATOM 0 H THR A 125 -1.514 -6.828 -8.973 1.00 0.00 H new ATOM 0 HA THR A 125 -3.038 -8.499 -10.786 1.00 0.00 H new ATOM 0 HB THR A 125 -2.702 -6.430 -12.102 1.00 0.00 H new ATOM 0 HG1 THR A 125 -1.587 -7.478 -13.878 1.00 0.00 H new ATOM 0 HG21 THR A 125 -0.425 -5.728 -12.738 1.00 0.00 H new ATOM 0 HG22 THR A 125 -0.690 -5.590 -10.984 1.00 0.00 H new ATOM 0 HG23 THR A 125 0.255 -6.950 -11.637 1.00 0.00 H new ATOM 1927 N GLU A 126 -1.091 -10.096 -10.848 1.00 0.00 N ATOM 1928 CA GLU A 126 -0.039 -11.090 -10.670 1.00 0.00 C ATOM 1929 C GLU A 126 0.922 -11.083 -11.856 1.00 0.00 C ATOM 1930 O GLU A 126 0.509 -11.254 -13.002 1.00 0.00 O ATOM 1931 CB GLU A 126 -0.647 -12.484 -10.499 1.00 0.00 C ATOM 1932 CG GLU A 126 0.234 -13.439 -9.711 1.00 0.00 C ATOM 1933 CD GLU A 126 -0.179 -14.888 -9.882 1.00 0.00 C ATOM 1934 OE1 GLU A 126 -1.081 -15.156 -10.702 1.00 0.00 O ATOM 1935 OE2 GLU A 126 0.401 -15.755 -9.194 1.00 0.00 O ATOM 0 H GLU A 126 -1.920 -10.441 -11.331 1.00 0.00 H new ATOM 0 HA GLU A 126 0.520 -10.833 -9.770 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -1.610 -12.392 -9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -0.841 -12.910 -11.483 1.00 0.00 H new ATOM 0 HG2 GLU A 126 1.269 -13.320 -10.030 1.00 0.00 H new ATOM 0 HG3 GLU A 126 0.194 -13.176 -8.654 1.00 0.00 H new ATOM 1942 N GLU A 127 2.205 -10.885 -11.569 1.00 0.00 N ATOM 1943 CA GLU A 127 3.223 -10.855 -12.612 1.00 0.00 C ATOM 1944 C GLU A 127 4.549 -11.406 -12.094 1.00 0.00 C ATOM 1945 O GLU A 127 4.849 -11.312 -10.904 1.00 0.00 O ATOM 1946 CB GLU A 127 3.418 -9.426 -13.125 1.00 0.00 C ATOM 1947 CG GLU A 127 2.303 -8.952 -14.042 1.00 0.00 C ATOM 1948 CD GLU A 127 2.054 -9.901 -15.198 1.00 0.00 C ATOM 1949 OE1 GLU A 127 3.041 -10.354 -15.815 1.00 0.00 O ATOM 1950 OE2 GLU A 127 0.874 -10.190 -15.485 1.00 0.00 O ATOM 0 H GLU A 127 2.563 -10.743 -10.625 1.00 0.00 H new ATOM 0 HA GLU A 127 2.883 -11.485 -13.434 1.00 0.00 H new ATOM 0 HB2 GLU A 127 3.489 -8.750 -12.273 1.00 0.00 H new ATOM 0 HB3 GLU A 127 4.366 -9.367 -13.659 1.00 0.00 H new ATOM 0 HG2 GLU A 127 1.385 -8.841 -13.464 1.00 0.00 H new ATOM 0 HG3 GLU A 127 2.554 -7.966 -14.434 1.00 0.00 H new ATOM 1957 N ASP A 128 5.336 -11.981 -12.996 1.00 0.00 N ATOM 1958 CA ASP A 128 6.630 -12.547 -12.631 1.00 0.00 C ATOM 1959 C ASP A 128 7.610 -11.449 -12.230 1.00 0.00 C ATOM 1960 O ASP A 128 7.496 -10.308 -12.678 1.00 0.00 O ATOM 1961 CB ASP A 128 7.202 -13.358 -13.795 1.00 0.00 C ATOM 1962 CG ASP A 128 6.378 -14.593 -14.100 1.00 0.00 C ATOM 1963 OD1 ASP A 128 6.410 -15.543 -13.289 1.00 0.00 O ATOM 1964 OD2 ASP A 128 5.701 -14.610 -15.148 1.00 0.00 O ATOM 0 H ASP A 128 5.101 -12.068 -13.985 1.00 0.00 H new ATOM 0 HA ASP A 128 6.482 -13.207 -11.776 1.00 0.00 H new ATOM 0 HB2 ASP A 128 7.250 -12.728 -14.684 1.00 0.00 H new ATOM 0 HB3 ASP A 128 8.224 -13.656 -13.559 1.00 0.00 H new ATOM 1969 N TRP A 129 8.570 -11.801 -11.383 1.00 0.00 N ATOM 1970 CA TRP A 129 9.569 -10.844 -10.920 1.00 0.00 C ATOM 1971 C TRP A 129 10.336 -10.246 -12.095 1.00 0.00 C ATOM 1972 O TRP A 129 10.757 -9.091 -12.048 1.00 0.00 O ATOM 1973 CB TRP A 129 10.542 -11.520 -9.952 1.00 0.00 C ATOM 1974 CG TRP A 129 11.786 -10.721 -9.705 1.00 0.00 C ATOM 1975 CD1 TRP A 129 13.029 -10.961 -10.218 1.00 0.00 C ATOM 1976 CD2 TRP A 129 11.907 -9.555 -8.884 1.00 0.00 C ATOM 1977 NE1 TRP A 129 13.915 -10.014 -9.764 1.00 0.00 N ATOM 1978 CE2 TRP A 129 13.252 -9.140 -8.945 1.00 0.00 C ATOM 1979 CE3 TRP A 129 11.010 -8.820 -8.104 1.00 0.00 C ATOM 1980 CZ2 TRP A 129 13.718 -8.024 -8.255 1.00 0.00 C ATOM 1981 CZ3 TRP A 129 11.474 -7.713 -7.420 1.00 0.00 C ATOM 1982 CH2 TRP A 129 12.818 -7.323 -7.499 1.00 0.00 C ATOM 0 H TRP A 129 8.678 -12.741 -11.003 1.00 0.00 H new ATOM 0 HA TRP A 129 9.051 -10.038 -10.400 1.00 0.00 H new ATOM 0 HB2 TRP A 129 10.036 -11.694 -9.002 1.00 0.00 H new ATOM 0 HB3 TRP A 129 10.819 -12.496 -10.349 1.00 0.00 H new ATOM 0 HD1 TRP A 129 13.279 -11.775 -10.882 1.00 0.00 H new ATOM 0 HE1 TRP A 129 14.907 -9.969 -9.999 1.00 0.00 H new ATOM 0 HE3 TRP A 129 9.972 -9.112 -8.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 129 14.753 -7.722 -8.314 1.00 0.00 H new ATOM 0 HZ3 TRP A 129 10.789 -7.138 -6.814 1.00 0.00 H new ATOM 0 HH2 TRP A 129 13.150 -6.452 -6.953 1.00 0.00 H new ATOM 1993 N GLU A 130 10.512 -11.040 -13.146 1.00 0.00 N ATOM 1994 CA GLU A 130 11.229 -10.587 -14.333 1.00 0.00 C ATOM 1995 C GLU A 130 10.380 -9.612 -15.142 1.00 0.00 C ATOM 1996 O GLU A 130 10.848 -9.022 -16.117 1.00 0.00 O ATOM 1997 CB GLU A 130 11.624 -11.782 -15.204 1.00 0.00 C ATOM 1998 CG GLU A 130 12.252 -12.924 -14.423 1.00 0.00 C ATOM 1999 CD GLU A 130 13.508 -13.460 -15.083 1.00 0.00 C ATOM 2000 OE1 GLU A 130 14.599 -12.918 -14.811 1.00 0.00 O ATOM 2001 OE2 GLU A 130 13.398 -14.422 -15.872 1.00 0.00 O ATOM 0 H GLU A 130 10.169 -11.999 -13.200 1.00 0.00 H new ATOM 0 HA GLU A 130 12.132 -10.071 -14.006 1.00 0.00 H new ATOM 0 HB2 GLU A 130 10.739 -12.151 -15.722 1.00 0.00 H new ATOM 0 HB3 GLU A 130 12.325 -11.447 -15.969 1.00 0.00 H new ATOM 0 HG2 GLU A 130 12.493 -12.582 -13.416 1.00 0.00 H new ATOM 0 HG3 GLU A 130 11.527 -13.731 -14.321 1.00 0.00 H new ATOM 2008 N THR A 131 9.126 -9.446 -14.732 1.00 0.00 N ATOM 2009 CA THR A 131 8.210 -8.545 -15.418 1.00 0.00 C ATOM 2010 C THR A 131 8.074 -7.224 -14.669 1.00 0.00 C ATOM 2011 O THR A 131 7.879 -6.171 -15.278 1.00 0.00 O ATOM 2012 CB THR A 131 6.814 -9.177 -15.579 1.00 0.00 C ATOM 2013 OG1 THR A 131 6.907 -10.381 -16.348 1.00 0.00 O ATOM 2014 CG2 THR A 131 5.856 -8.208 -16.256 1.00 0.00 C ATOM 0 H THR A 131 8.722 -9.925 -13.927 1.00 0.00 H new ATOM 0 HA THR A 131 8.632 -8.358 -16.406 1.00 0.00 H new ATOM 0 HB THR A 131 6.428 -9.410 -14.587 1.00 0.00 H new ATOM 0 HG1 THR A 131 6.016 -10.777 -16.444 1.00 0.00 H new ATOM 0 HG21 THR A 131 4.877 -8.676 -16.359 1.00 0.00 H new ATOM 0 HG22 THR A 131 5.765 -7.305 -15.652 1.00 0.00 H new ATOM 0 HG23 THR A 131 6.239 -7.947 -17.243 1.00 0.00 H new ATOM 2022 N ILE A 132 8.179 -7.286 -13.346 1.00 0.00 N ATOM 2023 CA ILE A 132 8.069 -6.094 -12.515 1.00 0.00 C ATOM 2024 C ILE A 132 9.446 -5.540 -12.163 1.00 0.00 C ATOM 2025 O ILE A 132 9.574 -4.395 -11.730 1.00 0.00 O ATOM 2026 CB ILE A 132 7.297 -6.383 -11.214 1.00 0.00 C ATOM 2027 CG1 ILE A 132 5.959 -7.057 -11.528 1.00 0.00 C ATOM 2028 CG2 ILE A 132 7.078 -5.098 -10.430 1.00 0.00 C ATOM 2029 CD1 ILE A 132 5.391 -7.841 -10.366 1.00 0.00 C ATOM 0 H ILE A 132 8.340 -8.149 -12.827 1.00 0.00 H new ATOM 0 HA ILE A 132 7.520 -5.354 -13.097 1.00 0.00 H new ATOM 0 HB ILE A 132 7.890 -7.062 -10.601 1.00 0.00 H new ATOM 0 HG12 ILE A 132 5.239 -6.296 -11.829 1.00 0.00 H new ATOM 0 HG13 ILE A 132 6.089 -7.726 -12.379 1.00 0.00 H new ATOM 0 HG21 ILE A 132 6.531 -5.320 -9.514 1.00 0.00 H new ATOM 0 HG22 ILE A 132 8.042 -4.656 -10.179 1.00 0.00 H new ATOM 0 HG23 ILE A 132 6.503 -4.396 -11.035 1.00 0.00 H new ATOM 0 HD11 ILE A 132 4.443 -8.291 -10.660 1.00 0.00 H new ATOM 0 HD12 ILE A 132 6.092 -8.625 -10.079 1.00 0.00 H new ATOM 0 HD13 ILE A 132 5.229 -7.172 -9.521 1.00 0.00 H new ATOM 2041 N TYR A 133 10.473 -6.360 -12.354 1.00 0.00 N ATOM 2042 CA TYR A 133 11.841 -5.953 -12.057 1.00 0.00 C ATOM 2043 C TYR A 133 12.200 -4.667 -12.795 1.00 0.00 C ATOM 2044 O TYR A 133 12.602 -3.669 -12.197 1.00 0.00 O ATOM 2045 CB TYR A 133 12.821 -7.064 -12.440 1.00 0.00 C ATOM 2046 CG TYR A 133 14.189 -6.555 -12.834 1.00 0.00 C ATOM 2047 CD1 TYR A 133 14.879 -5.661 -12.025 1.00 0.00 C ATOM 2048 CD2 TYR A 133 14.791 -6.968 -14.016 1.00 0.00 C ATOM 2049 CE1 TYR A 133 16.129 -5.193 -12.381 1.00 0.00 C ATOM 2050 CE2 TYR A 133 16.042 -6.506 -14.380 1.00 0.00 C ATOM 2051 CZ TYR A 133 16.706 -5.619 -13.559 1.00 0.00 C ATOM 2052 OH TYR A 133 17.951 -5.156 -13.919 1.00 0.00 O ATOM 0 H TYR A 133 10.384 -7.311 -12.713 1.00 0.00 H new ATOM 0 HA TYR A 133 11.913 -5.768 -10.985 1.00 0.00 H new ATOM 0 HB2 TYR A 133 12.926 -7.750 -11.600 1.00 0.00 H new ATOM 0 HB3 TYR A 133 12.403 -7.636 -13.268 1.00 0.00 H new ATOM 0 HD1 TYR A 133 14.430 -5.326 -11.102 1.00 0.00 H new ATOM 0 HD2 TYR A 133 14.273 -7.662 -14.661 1.00 0.00 H new ATOM 0 HE1 TYR A 133 16.651 -4.498 -11.741 1.00 0.00 H new ATOM 0 HE2 TYR A 133 16.497 -6.838 -15.302 1.00 0.00 H new ATOM 0 HH TYR A 133 18.213 -5.554 -14.775 1.00 0.00 H new ATOM 2062 N PRO A 134 12.050 -4.690 -14.128 1.00 0.00 N ATOM 2063 CA PRO A 134 12.351 -3.534 -14.978 1.00 0.00 C ATOM 2064 C PRO A 134 11.641 -2.269 -14.509 1.00 0.00 C ATOM 2065 O PRO A 134 12.259 -1.212 -14.376 1.00 0.00 O ATOM 2066 CB PRO A 134 11.832 -3.960 -16.353 1.00 0.00 C ATOM 2067 CG PRO A 134 11.894 -5.449 -16.337 1.00 0.00 C ATOM 2068 CD PRO A 134 11.576 -5.845 -14.908 1.00 0.00 C ATOM 0 HA PRO A 134 13.412 -3.285 -14.966 1.00 0.00 H new ATOM 0 HB2 PRO A 134 10.814 -3.608 -16.518 1.00 0.00 H new ATOM 0 HB3 PRO A 134 12.446 -3.547 -17.153 1.00 0.00 H new ATOM 0 HG2 PRO A 134 11.176 -5.881 -17.034 1.00 0.00 H new ATOM 0 HG3 PRO A 134 12.880 -5.805 -16.634 1.00 0.00 H new ATOM 0 HD2 PRO A 134 10.509 -6.017 -14.765 1.00 0.00 H new ATOM 0 HD3 PRO A 134 12.088 -6.763 -14.621 1.00 0.00 H new ATOM 2076 N CYS A 135 10.341 -2.383 -14.261 1.00 0.00 N ATOM 2077 CA CYS A 135 9.546 -1.248 -13.806 1.00 0.00 C ATOM 2078 C CYS A 135 9.141 -1.417 -12.346 1.00 0.00 C ATOM 2079 O CYS A 135 7.954 -1.445 -12.019 1.00 0.00 O ATOM 2080 CB CYS A 135 8.300 -1.089 -14.679 1.00 0.00 C ATOM 2081 SG CYS A 135 8.643 -1.038 -16.453 1.00 0.00 S ATOM 0 H CYS A 135 9.815 -3.250 -14.367 1.00 0.00 H new ATOM 0 HA CYS A 135 10.158 -0.350 -13.892 1.00 0.00 H new ATOM 0 HB2 CYS A 135 7.619 -1.915 -14.475 1.00 0.00 H new ATOM 0 HB3 CYS A 135 7.784 -0.173 -14.393 1.00 0.00 H new ATOM 0 HG CYS A 135 7.528 -0.904 -17.107 1.00 0.00 H new ATOM 2087 N LEU A 136 10.135 -1.531 -11.471 1.00 0.00 N ATOM 2088 CA LEU A 136 9.882 -1.700 -10.044 1.00 0.00 C ATOM 2089 C LEU A 136 9.578 -0.359 -9.383 1.00 0.00 C ATOM 2090 O LEU A 136 9.659 0.691 -10.020 1.00 0.00 O ATOM 2091 CB LEU A 136 11.088 -2.353 -9.367 1.00 0.00 C ATOM 2092 CG LEU A 136 10.892 -3.793 -8.890 1.00 0.00 C ATOM 2093 CD1 LEU A 136 12.133 -4.289 -8.166 1.00 0.00 C ATOM 2094 CD2 LEU A 136 9.670 -3.894 -7.989 1.00 0.00 C ATOM 0 H LEU A 136 11.123 -1.509 -11.725 1.00 0.00 H new ATOM 0 HA LEU A 136 9.013 -2.347 -9.928 1.00 0.00 H new ATOM 0 HB2 LEU A 136 11.926 -2.333 -10.064 1.00 0.00 H new ATOM 0 HB3 LEU A 136 11.373 -1.743 -8.510 1.00 0.00 H new ATOM 0 HG LEU A 136 10.729 -4.426 -9.762 1.00 0.00 H new ATOM 0 HD11 LEU A 136 11.975 -5.315 -7.834 1.00 0.00 H new ATOM 0 HD12 LEU A 136 12.987 -4.254 -8.842 1.00 0.00 H new ATOM 0 HD13 LEU A 136 12.328 -3.654 -7.302 1.00 0.00 H new ATOM 0 HD21 LEU A 136 9.546 -4.925 -7.659 1.00 0.00 H new ATOM 0 HD22 LEU A 136 9.804 -3.249 -7.121 1.00 0.00 H new ATOM 0 HD23 LEU A 136 8.784 -3.580 -8.541 1.00 0.00 H new ATOM 2106 N SER A 137 9.229 -0.403 -8.101 1.00 0.00 N ATOM 2107 CA SER A 137 8.911 0.808 -7.354 1.00 0.00 C ATOM 2108 C SER A 137 10.088 1.232 -6.480 1.00 0.00 C ATOM 2109 O SER A 137 10.982 0.443 -6.173 1.00 0.00 O ATOM 2110 CB SER A 137 7.671 0.586 -6.486 1.00 0.00 C ATOM 2111 OG SER A 137 7.878 1.066 -5.169 1.00 0.00 O ATOM 0 H SER A 137 9.159 -1.264 -7.558 1.00 0.00 H new ATOM 0 HA SER A 137 8.707 1.604 -8.070 1.00 0.00 H new ATOM 0 HB2 SER A 137 6.816 1.094 -6.931 1.00 0.00 H new ATOM 0 HB3 SER A 137 7.430 -0.477 -6.456 1.00 0.00 H new ATOM 0 HG SER A 137 8.234 0.344 -4.610 1.00 0.00 H new ATOM 2117 N PRO A 138 10.089 2.509 -6.069 1.00 0.00 N ATOM 2118 CA PRO A 138 11.149 3.068 -5.225 1.00 0.00 C ATOM 2119 C PRO A 138 11.115 2.509 -3.807 1.00 0.00 C ATOM 2120 O PRO A 138 10.256 2.874 -3.004 1.00 0.00 O ATOM 2121 CB PRO A 138 10.841 4.567 -5.216 1.00 0.00 C ATOM 2122 CG PRO A 138 9.379 4.656 -5.485 1.00 0.00 C ATOM 2123 CD PRO A 138 9.055 3.505 -6.397 1.00 0.00 C ATOM 0 HA PRO A 138 12.142 2.825 -5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 138 11.095 5.017 -4.256 1.00 0.00 H new ATOM 0 HB3 PRO A 138 11.416 5.094 -5.977 1.00 0.00 H new ATOM 0 HG2 PRO A 138 8.807 4.593 -4.559 1.00 0.00 H new ATOM 0 HG3 PRO A 138 9.125 5.608 -5.952 1.00 0.00 H new ATOM 0 HD2 PRO A 138 8.052 3.118 -6.215 1.00 0.00 H new ATOM 0 HD3 PRO A 138 9.098 3.799 -7.446 1.00 0.00 H new ATOM 2131 N LYS A 139 12.056 1.622 -3.503 1.00 0.00 N ATOM 2132 CA LYS A 139 12.136 1.013 -2.180 1.00 0.00 C ATOM 2133 C LYS A 139 12.966 1.875 -1.234 1.00 0.00 C ATOM 2134 O LYS A 139 13.917 2.535 -1.653 1.00 0.00 O ATOM 2135 CB LYS A 139 12.745 -0.388 -2.277 1.00 0.00 C ATOM 2136 CG LYS A 139 11.753 -1.453 -2.713 1.00 0.00 C ATOM 2137 CD LYS A 139 12.431 -2.798 -2.912 1.00 0.00 C ATOM 2138 CE LYS A 139 11.422 -3.936 -2.911 1.00 0.00 C ATOM 2139 NZ LYS A 139 11.152 -4.436 -1.534 1.00 0.00 N ATOM 0 H LYS A 139 12.775 1.308 -4.155 1.00 0.00 H new ATOM 0 HA LYS A 139 11.125 0.936 -1.781 1.00 0.00 H new ATOM 0 HB2 LYS A 139 13.575 -0.366 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 139 13.158 -0.664 -1.307 1.00 0.00 H new ATOM 0 HG2 LYS A 139 10.967 -1.548 -1.964 1.00 0.00 H new ATOM 0 HG3 LYS A 139 11.273 -1.146 -3.642 1.00 0.00 H new ATOM 0 HD2 LYS A 139 12.977 -2.795 -3.855 1.00 0.00 H new ATOM 0 HD3 LYS A 139 13.163 -2.958 -2.120 1.00 0.00 H new ATOM 0 HE2 LYS A 139 10.490 -3.596 -3.363 1.00 0.00 H new ATOM 0 HE3 LYS A 139 11.796 -4.753 -3.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 139 10.460 -5.211 -1.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 12.036 -4.784 -1.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 10.771 -3.663 -0.952 1.00 0.00 H new ATOM 2153 N SER A 140 12.601 1.863 0.044 1.00 0.00 N ATOM 2154 CA SER A 140 13.311 2.645 1.049 1.00 0.00 C ATOM 2155 C SER A 140 13.610 1.800 2.284 1.00 0.00 C ATOM 2156 O SER A 140 12.779 1.006 2.722 1.00 0.00 O ATOM 2157 CB SER A 140 12.489 3.873 1.444 1.00 0.00 C ATOM 2158 OG SER A 140 13.209 4.703 2.338 1.00 0.00 O ATOM 0 H SER A 140 11.818 1.320 0.408 1.00 0.00 H new ATOM 0 HA SER A 140 14.257 2.973 0.617 1.00 0.00 H new ATOM 0 HB2 SER A 140 12.223 4.439 0.551 1.00 0.00 H new ATOM 0 HB3 SER A 140 11.556 3.555 1.909 1.00 0.00 H new ATOM 0 HG SER A 140 14.027 5.020 1.902 1.00 0.00 H new