USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 713 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 69 ASN : amide:sc= -0.618 K(o=-0.66,f=-4.5!) USER MOD Set 1.2: A 100 MET CE :methyl -128:sc= -0.042 (180deg=-0.31) USER MOD Set 2.1: A 47 CYS SG : rot 79:sc= 0.595 USER MOD Set 2.2: A 90 GLN : amide:sc=-0.00678 X(o=0.59,f=0.27) USER MOD Set 3.1: A 30 HIS : no HE2:sc= 0.0499 X(o=0.00036,f=-0.33) USER MOD Set 3.2: A 37 CYS SG : rot 180:sc= -0.0495 USER MOD Set 4.1: A 21 THR OG1 : rot 180:sc= 0.129 USER MOD Set 4.2: A 41 SER OG : rot -168:sc= 0.0526 USER MOD Set 5.1: A 16 CYS SG : rot 81:sc= 2.28 USER MOD Set 5.2: A 60 LYS NZ :NH3+ 178:sc= 1.35 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=-0.0092) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 173:sc= -0.71 (180deg=-0.859) USER MOD Single : A 25 GLN : amide:sc= -0.378 X(o=-0.38,f=0) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -2.3! C(o=-2.3!,f=-4.7!) USER MOD Single : A 55 THR OG1 : rot -12:sc= 0.682 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -140:sc= 0.411 (180deg=-0.0261) USER MOD Single : A 59 TYR OH : rot 40:sc= -0.0209 USER MOD Single : A 61 ASN : amide:sc= 0.541 K(o=0.54,f=-2.6!) USER MOD Single : A 65 SER OG : rot 74:sc= 0.661 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ -123:sc= 0.132 (180deg=0) USER MOD Single : A 75 ASN :FLIP amide:sc= -0.542 F(o=-2.5!,f=-0.54) USER MOD Single : A 81 ASN : amide:sc= 0.354 K(o=0.35,f=-0.34) USER MOD Single : A 84 CYS SG : rot 88:sc= -1.82! USER MOD Single : A 88 THR OG1 : rot 180:sc= 0.0724 USER MOD Single : A 91 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 95 MET CE :methyl -131:sc=-0.00847 (180deg=-1.22) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0562 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.463 17.518 -5.472 1.00 42.42 N ATOM 147 CA ALA A 11 -7.555 16.431 -6.479 1.00 0.10 C ATOM 148 C ALA A 11 -6.196 15.752 -6.793 1.00 13.21 C ATOM 149 O ALA A 11 -6.178 14.644 -7.351 1.00 54.25 O ATOM 150 CB ALA A 11 -8.194 16.975 -7.768 1.00 30.10 C ATOM 0 HA ALA A 11 -8.182 15.653 -6.044 1.00 0.10 H new ATOM 0 HB1 ALA A 11 -8.261 16.176 -8.506 1.00 30.10 H new ATOM 0 HB2 ALA A 11 -9.193 17.351 -7.548 1.00 30.10 H new ATOM 0 HB3 ALA A 11 -7.581 17.785 -8.164 1.00 30.10 H new ATOM 156 N VAL A 12 -5.072 16.422 -6.450 1.00 55.20 N ATOM 157 CA VAL A 12 -3.715 15.835 -6.571 1.00 72.54 C ATOM 158 C VAL A 12 -3.601 14.525 -5.750 1.00 53.12 C ATOM 159 O VAL A 12 -3.365 13.446 -6.311 1.00 31.31 O ATOM 160 CB VAL A 12 -2.587 16.832 -6.092 1.00 15.12 C ATOM 161 CG1 VAL A 12 -1.174 16.224 -6.282 1.00 5.30 C ATOM 162 CG2 VAL A 12 -2.703 18.201 -6.796 1.00 3.32 C ATOM 0 H VAL A 12 -5.077 17.375 -6.085 1.00 55.20 H new ATOM 0 HA VAL A 12 -3.568 15.624 -7.630 1.00 72.54 H new ATOM 0 HB VAL A 12 -2.735 16.997 -5.025 1.00 15.12 H new ATOM 0 HG11 VAL A 12 -0.423 16.937 -5.942 1.00 5.30 H new ATOM 0 HG12 VAL A 12 -1.092 15.306 -5.701 1.00 5.30 H new ATOM 0 HG13 VAL A 12 -1.012 16.002 -7.337 1.00 5.30 H new ATOM 0 HG21 VAL A 12 -1.911 18.861 -6.442 1.00 3.32 H new ATOM 0 HG22 VAL A 12 -2.607 18.065 -7.873 1.00 3.32 H new ATOM 0 HG23 VAL A 12 -3.673 18.645 -6.571 1.00 3.32 H new ATOM 172 N ARG A 13 -3.793 14.635 -4.416 1.00 34.24 N ATOM 173 CA ARG A 13 -3.711 13.477 -3.506 1.00 42.30 C ATOM 174 C ARG A 13 -4.930 12.542 -3.680 1.00 43.05 C ATOM 175 O ARG A 13 -4.788 11.335 -3.590 1.00 55.31 O ATOM 176 CB ARG A 13 -3.508 13.940 -2.021 1.00 25.02 C ATOM 177 CG ARG A 13 -4.645 14.788 -1.361 1.00 74.22 C ATOM 178 CD ARG A 13 -5.783 13.954 -0.732 1.00 13.23 C ATOM 179 NE ARG A 13 -5.260 12.929 0.182 1.00 32.42 N ATOM 180 CZ ARG A 13 -5.167 13.019 1.495 1.00 11.31 C ATOM 181 NH1 ARG A 13 -5.580 14.049 2.152 1.00 15.24 N ATOM 182 NH2 ARG A 13 -4.633 12.064 2.159 1.00 52.34 N ATOM 0 H ARG A 13 -4.006 15.516 -3.948 1.00 34.24 H new ATOM 0 HA ARG A 13 -2.831 12.892 -3.773 1.00 42.30 H new ATOM 0 HB2 ARG A 13 -3.356 13.050 -1.410 1.00 25.02 H new ATOM 0 HB3 ARG A 13 -2.587 14.520 -1.974 1.00 25.02 H new ATOM 0 HG2 ARG A 13 -4.207 15.422 -0.590 1.00 74.22 H new ATOM 0 HG3 ARG A 13 -5.071 15.451 -2.114 1.00 74.22 H new ATOM 0 HD2 ARG A 13 -6.462 14.613 -0.191 1.00 13.23 H new ATOM 0 HD3 ARG A 13 -6.364 13.477 -1.521 1.00 13.23 H new ATOM 0 HE ARG A 13 -4.936 12.060 -0.242 1.00 32.42 H new ATOM 0 HH11 ARG A 13 -5.998 14.836 1.656 1.00 15.24 H new ATOM 0 HH12 ARG A 13 -5.488 14.076 3.168 1.00 15.24 H new ATOM 0 HH21 ARG A 13 -4.282 11.239 1.673 1.00 52.34 H new ATOM 0 HH22 ARG A 13 -4.558 12.128 3.174 1.00 52.34 H new ATOM 196 N ASN A 14 -6.118 13.119 -3.974 1.00 31.11 N ATOM 197 CA ASN A 14 -7.368 12.336 -4.164 1.00 45.13 C ATOM 198 C ASN A 14 -7.200 11.256 -5.259 1.00 21.33 C ATOM 199 O ASN A 14 -7.499 10.081 -5.024 1.00 14.31 O ATOM 200 CB ASN A 14 -8.542 13.284 -4.508 1.00 43.30 C ATOM 201 CG ASN A 14 -9.867 12.550 -4.747 1.00 71.34 C ATOM 202 OD1 ASN A 14 -10.199 12.173 -5.868 1.00 54.51 O ATOM 203 ND2 ASN A 14 -10.630 12.340 -3.699 1.00 1.32 N ATOM 0 H ASN A 14 -6.240 14.125 -4.086 1.00 31.11 H new ATOM 0 HA ASN A 14 -7.590 11.822 -3.229 1.00 45.13 H new ATOM 0 HB2 ASN A 14 -8.672 13.999 -3.695 1.00 43.30 H new ATOM 0 HB3 ASN A 14 -8.287 13.858 -5.399 1.00 43.30 H new ATOM 0 HD21 ASN A 14 -11.520 11.854 -3.806 1.00 1.32 H new ATOM 0 HD22 ASN A 14 -10.332 12.663 -2.778 1.00 1.32 H new ATOM 210 N LYS A 15 -6.699 11.674 -6.436 1.00 30.53 N ATOM 211 CA LYS A 15 -6.454 10.757 -7.571 1.00 33.43 C ATOM 212 C LYS A 15 -5.347 9.722 -7.246 1.00 24.42 C ATOM 213 O LYS A 15 -5.407 8.581 -7.709 1.00 12.33 O ATOM 214 CB LYS A 15 -6.107 11.551 -8.852 1.00 10.41 C ATOM 215 CG LYS A 15 -5.951 10.669 -10.116 1.00 62.22 C ATOM 216 CD LYS A 15 -5.919 11.486 -11.422 1.00 70.44 C ATOM 217 CE LYS A 15 -5.766 10.592 -12.665 1.00 4.12 C ATOM 218 NZ LYS A 15 -5.829 11.364 -13.932 1.00 75.42 N ATOM 0 H LYS A 15 -6.454 12.645 -6.629 1.00 30.53 H new ATOM 0 HA LYS A 15 -7.375 10.202 -7.748 1.00 33.43 H new ATOM 0 HB2 LYS A 15 -6.887 12.291 -9.031 1.00 10.41 H new ATOM 0 HB3 LYS A 15 -5.180 12.100 -8.687 1.00 10.41 H new ATOM 0 HG2 LYS A 15 -5.032 10.088 -10.035 1.00 62.22 H new ATOM 0 HG3 LYS A 15 -6.776 9.957 -10.159 1.00 62.22 H new ATOM 0 HD2 LYS A 15 -6.837 12.068 -11.506 1.00 70.44 H new ATOM 0 HD3 LYS A 15 -5.093 12.196 -11.384 1.00 70.44 H new ATOM 0 HE2 LYS A 15 -4.815 10.063 -12.613 1.00 4.12 H new ATOM 0 HE3 LYS A 15 -6.552 9.837 -12.664 1.00 4.12 H new ATOM 0 HZ1 LYS A 15 -5.721 10.717 -14.739 1.00 75.42 H new ATOM 0 HZ2 LYS A 15 -6.747 11.849 -13.998 1.00 75.42 H new ATOM 0 HZ3 LYS A 15 -5.064 12.068 -13.948 1.00 75.42 H new ATOM 232 N CYS A 16 -4.348 10.136 -6.437 1.00 3.11 N ATOM 233 CA CYS A 16 -3.263 9.237 -5.976 1.00 3.13 C ATOM 234 C CYS A 16 -3.810 8.093 -5.081 1.00 23.15 C ATOM 235 O CYS A 16 -3.386 6.945 -5.226 1.00 3.12 O ATOM 236 CB CYS A 16 -2.166 10.040 -5.248 1.00 12.22 C ATOM 237 SG CYS A 16 -1.324 11.251 -6.300 1.00 45.40 S ATOM 0 H CYS A 16 -4.269 11.091 -6.087 1.00 3.11 H new ATOM 0 HA CYS A 16 -2.818 8.772 -6.856 1.00 3.13 H new ATOM 0 HB2 CYS A 16 -2.612 10.558 -4.399 1.00 12.22 H new ATOM 0 HB3 CYS A 16 -1.427 9.346 -4.846 1.00 12.22 H new ATOM 0 HG CYS A 16 -2.053 12.323 -6.397 1.00 45.40 H new ATOM 243 N ARG A 17 -4.768 8.422 -4.178 1.00 14.34 N ATOM 244 CA ARG A 17 -5.515 7.414 -3.375 1.00 31.31 C ATOM 245 C ARG A 17 -6.268 6.428 -4.293 1.00 51.34 C ATOM 246 O ARG A 17 -6.236 5.221 -4.073 1.00 3.22 O ATOM 247 CB ARG A 17 -6.537 8.093 -2.418 1.00 11.25 C ATOM 248 CG ARG A 17 -7.390 7.097 -1.577 1.00 1.04 C ATOM 249 CD ARG A 17 -8.430 7.798 -0.681 1.00 35.30 C ATOM 250 NE ARG A 17 -7.789 8.730 0.244 1.00 53.02 N ATOM 251 CZ ARG A 17 -8.355 9.348 1.247 1.00 13.45 C ATOM 252 NH1 ARG A 17 -9.597 9.150 1.568 1.00 34.45 N ATOM 253 NH2 ARG A 17 -7.647 10.166 1.940 1.00 61.21 N ATOM 0 H ARG A 17 -5.045 9.385 -3.985 1.00 14.34 H new ATOM 0 HA ARG A 17 -4.779 6.872 -2.781 1.00 31.31 H new ATOM 0 HB2 ARG A 17 -5.997 8.754 -1.739 1.00 11.25 H new ATOM 0 HB3 ARG A 17 -7.207 8.719 -3.007 1.00 11.25 H new ATOM 0 HG2 ARG A 17 -7.903 6.410 -2.250 1.00 1.04 H new ATOM 0 HG3 ARG A 17 -6.727 6.497 -0.953 1.00 1.04 H new ATOM 0 HD2 ARG A 17 -9.147 8.334 -1.303 1.00 35.30 H new ATOM 0 HD3 ARG A 17 -8.991 7.052 -0.119 1.00 35.30 H new ATOM 0 HE ARG A 17 -6.798 8.918 0.091 1.00 53.02 H new ATOM 0 HH11 ARG A 17 -10.164 8.494 1.031 1.00 34.45 H new ATOM 0 HH12 ARG A 17 -10.006 9.650 2.357 1.00 34.45 H new ATOM 0 HH21 ARG A 17 -6.667 10.320 1.702 1.00 61.21 H new ATOM 0 HH22 ARG A 17 -8.065 10.661 2.728 1.00 61.21 H new ATOM 267 N GLU A 18 -6.947 6.970 -5.319 1.00 2.04 N ATOM 268 CA GLU A 18 -7.695 6.155 -6.308 1.00 35.42 C ATOM 269 C GLU A 18 -6.763 5.180 -7.083 1.00 51.23 C ATOM 270 O GLU A 18 -7.174 4.071 -7.433 1.00 50.31 O ATOM 271 CB GLU A 18 -8.472 7.062 -7.301 1.00 14.24 C ATOM 272 CG GLU A 18 -9.410 8.102 -6.647 1.00 51.31 C ATOM 273 CD GLU A 18 -10.406 7.507 -5.633 1.00 43.23 C ATOM 274 OE1 GLU A 18 -11.374 6.841 -6.066 1.00 10.13 O ATOM 275 OE2 GLU A 18 -10.226 7.700 -4.403 1.00 72.10 O ATOM 0 H GLU A 18 -6.997 7.974 -5.490 1.00 2.04 H new ATOM 0 HA GLU A 18 -8.411 5.553 -5.748 1.00 35.42 H new ATOM 0 HB2 GLU A 18 -7.752 7.589 -7.927 1.00 14.24 H new ATOM 0 HB3 GLU A 18 -9.063 6.427 -7.961 1.00 14.24 H new ATOM 0 HG2 GLU A 18 -8.804 8.855 -6.144 1.00 51.31 H new ATOM 0 HG3 GLU A 18 -9.969 8.614 -7.431 1.00 51.31 H new ATOM 282 N MET A 19 -5.513 5.615 -7.344 1.00 30.41 N ATOM 283 CA MET A 19 -4.482 4.769 -7.999 1.00 34.05 C ATOM 284 C MET A 19 -3.886 3.707 -7.025 1.00 70.41 C ATOM 285 O MET A 19 -3.486 2.619 -7.461 1.00 40.01 O ATOM 286 CB MET A 19 -3.362 5.648 -8.615 1.00 41.02 C ATOM 287 CG MET A 19 -3.828 6.585 -9.748 1.00 52.23 C ATOM 288 SD MET A 19 -2.460 7.401 -10.616 1.00 30.21 S ATOM 289 CE MET A 19 -1.615 8.271 -9.295 1.00 11.01 C ATOM 0 H MET A 19 -5.187 6.553 -7.111 1.00 30.41 H new ATOM 0 HA MET A 19 -4.975 4.222 -8.802 1.00 34.05 H new ATOM 0 HB2 MET A 19 -2.915 6.251 -7.824 1.00 41.02 H new ATOM 0 HB3 MET A 19 -2.578 4.996 -9.000 1.00 41.02 H new ATOM 0 HG2 MET A 19 -4.414 6.011 -10.466 1.00 52.23 H new ATOM 0 HG3 MET A 19 -4.490 7.345 -9.332 1.00 52.23 H new ATOM 0 HE1 MET A 19 -0.692 8.705 -9.678 1.00 11.01 H new ATOM 0 HE2 MET A 19 -2.258 9.064 -8.912 1.00 11.01 H new ATOM 0 HE3 MET A 19 -1.381 7.573 -8.491 1.00 11.01 H new ATOM 299 N LEU A 20 -3.824 4.031 -5.715 1.00 73.53 N ATOM 300 CA LEU A 20 -3.452 3.051 -4.656 1.00 32.25 C ATOM 301 C LEU A 20 -4.546 1.959 -4.522 1.00 1.43 C ATOM 302 O LEU A 20 -4.244 0.779 -4.317 1.00 13.44 O ATOM 303 CB LEU A 20 -3.239 3.767 -3.292 1.00 71.21 C ATOM 304 CG LEU A 20 -2.064 4.796 -3.220 1.00 40.20 C ATOM 305 CD1 LEU A 20 -2.068 5.567 -1.877 1.00 12.31 C ATOM 306 CD2 LEU A 20 -0.700 4.108 -3.465 1.00 31.12 C ATOM 0 H LEU A 20 -4.026 4.965 -5.359 1.00 73.53 H new ATOM 0 HA LEU A 20 -2.515 2.576 -4.946 1.00 32.25 H new ATOM 0 HB2 LEU A 20 -4.162 4.284 -3.031 1.00 71.21 H new ATOM 0 HB3 LEU A 20 -3.073 3.006 -2.529 1.00 71.21 H new ATOM 0 HG LEU A 20 -2.217 5.523 -4.017 1.00 40.20 H new ATOM 0 HD11 LEU A 20 -1.238 6.274 -1.861 1.00 12.31 H new ATOM 0 HD12 LEU A 20 -3.008 6.109 -1.771 1.00 12.31 H new ATOM 0 HD13 LEU A 20 -1.961 4.862 -1.053 1.00 12.31 H new ATOM 0 HD21 LEU A 20 0.097 4.850 -3.409 1.00 31.12 H new ATOM 0 HD22 LEU A 20 -0.537 3.342 -2.707 1.00 31.12 H new ATOM 0 HD23 LEU A 20 -0.697 3.647 -4.453 1.00 31.12 H new ATOM 318 N THR A 21 -5.821 2.390 -4.653 1.00 12.51 N ATOM 319 CA THR A 21 -6.995 1.487 -4.715 1.00 61.44 C ATOM 320 C THR A 21 -6.927 0.606 -5.976 1.00 20.05 C ATOM 321 O THR A 21 -7.187 -0.592 -5.908 1.00 22.04 O ATOM 322 CB THR A 21 -8.354 2.283 -4.711 1.00 5.15 C ATOM 323 OG1 THR A 21 -8.418 3.130 -3.552 1.00 24.31 O ATOM 324 CG2 THR A 21 -9.589 1.347 -4.724 1.00 45.14 C ATOM 0 H THR A 21 -6.067 3.378 -4.719 1.00 12.51 H new ATOM 0 HA THR A 21 -6.964 0.862 -3.822 1.00 61.44 H new ATOM 0 HB THR A 21 -8.379 2.879 -5.623 1.00 5.15 H new ATOM 0 HG1 THR A 21 -9.264 3.624 -3.555 1.00 24.31 H new ATOM 0 HG21 THR A 21 -10.500 1.946 -4.721 1.00 45.14 H new ATOM 0 HG22 THR A 21 -9.566 0.727 -5.620 1.00 45.14 H new ATOM 0 HG23 THR A 21 -9.571 0.709 -3.840 1.00 45.14 H new ATOM 332 N ALA A 22 -6.536 1.225 -7.114 1.00 30.22 N ATOM 333 CA ALA A 22 -6.359 0.531 -8.417 1.00 40.12 C ATOM 334 C ALA A 22 -5.275 -0.573 -8.345 1.00 75.21 C ATOM 335 O ALA A 22 -5.365 -1.591 -9.041 1.00 25.31 O ATOM 336 CB ALA A 22 -6.031 1.548 -9.524 1.00 2.13 C ATOM 0 H ALA A 22 -6.333 2.224 -7.158 1.00 30.22 H new ATOM 0 HA ALA A 22 -7.301 0.039 -8.658 1.00 40.12 H new ATOM 0 HB1 ALA A 22 -5.904 1.025 -10.472 1.00 2.13 H new ATOM 0 HB2 ALA A 22 -6.846 2.266 -9.612 1.00 2.13 H new ATOM 0 HB3 ALA A 22 -5.110 2.074 -9.274 1.00 2.13 H new ATOM 342 N ALA A 23 -4.253 -0.346 -7.494 1.00 33.22 N ATOM 343 CA ALA A 23 -3.229 -1.360 -7.160 1.00 65.44 C ATOM 344 C ALA A 23 -3.832 -2.499 -6.299 1.00 74.34 C ATOM 345 O ALA A 23 -3.569 -3.671 -6.544 1.00 41.32 O ATOM 346 CB ALA A 23 -2.053 -0.698 -6.426 1.00 40.31 C ATOM 0 H ALA A 23 -4.114 0.546 -7.018 1.00 33.22 H new ATOM 0 HA ALA A 23 -2.866 -1.799 -8.089 1.00 65.44 H new ATOM 0 HB1 ALA A 23 -1.304 -1.452 -6.184 1.00 40.31 H new ATOM 0 HB2 ALA A 23 -1.607 0.064 -7.066 1.00 40.31 H new ATOM 0 HB3 ALA A 23 -2.412 -0.235 -5.507 1.00 40.31 H new ATOM 352 N LEU A 24 -4.654 -2.123 -5.300 1.00 13.32 N ATOM 353 CA LEU A 24 -5.300 -3.082 -4.356 1.00 2.35 C ATOM 354 C LEU A 24 -6.522 -3.833 -4.978 1.00 70.24 C ATOM 355 O LEU A 24 -7.057 -4.766 -4.363 1.00 2.52 O ATOM 356 CB LEU A 24 -5.714 -2.328 -3.060 1.00 33.34 C ATOM 357 CG LEU A 24 -4.543 -1.752 -2.194 1.00 41.11 C ATOM 358 CD1 LEU A 24 -5.068 -0.928 -0.999 1.00 45.14 C ATOM 359 CD2 LEU A 24 -3.595 -2.876 -1.714 1.00 14.21 C ATOM 0 H LEU A 24 -4.895 -1.149 -5.117 1.00 13.32 H new ATOM 0 HA LEU A 24 -4.567 -3.853 -4.121 1.00 2.35 H new ATOM 0 HB2 LEU A 24 -6.373 -1.505 -3.337 1.00 33.34 H new ATOM 0 HB3 LEU A 24 -6.298 -3.008 -2.439 1.00 33.34 H new ATOM 0 HG LEU A 24 -3.972 -1.078 -2.833 1.00 41.11 H new ATOM 0 HD11 LEU A 24 -4.226 -0.546 -0.423 1.00 45.14 H new ATOM 0 HD12 LEU A 24 -5.665 -0.093 -1.367 1.00 45.14 H new ATOM 0 HD13 LEU A 24 -5.685 -1.562 -0.363 1.00 45.14 H new ATOM 0 HD21 LEU A 24 -2.793 -2.444 -1.116 1.00 14.21 H new ATOM 0 HD22 LEU A 24 -4.154 -3.590 -1.110 1.00 14.21 H new ATOM 0 HD23 LEU A 24 -3.169 -3.386 -2.578 1.00 14.21 H new ATOM 371 N GLN A 25 -6.966 -3.409 -6.179 1.00 2.41 N ATOM 372 CA GLN A 25 -8.052 -4.090 -6.943 1.00 72.34 C ATOM 373 C GLN A 25 -7.562 -4.517 -8.353 1.00 25.41 C ATOM 374 O GLN A 25 -8.382 -4.834 -9.226 1.00 51.41 O ATOM 375 CB GLN A 25 -9.304 -3.161 -7.061 1.00 22.12 C ATOM 376 CG GLN A 25 -9.131 -1.934 -7.990 1.00 53.23 C ATOM 377 CD GLN A 25 -10.370 -1.027 -8.117 1.00 44.21 C ATOM 378 OE1 GLN A 25 -10.594 -0.408 -9.151 1.00 40.54 O ATOM 379 NE2 GLN A 25 -11.162 -0.907 -7.069 1.00 75.45 N ATOM 0 H GLN A 25 -6.588 -2.588 -6.652 1.00 2.41 H new ATOM 0 HA GLN A 25 -8.333 -4.990 -6.396 1.00 72.34 H new ATOM 0 HB2 GLN A 25 -10.144 -3.754 -7.423 1.00 22.12 H new ATOM 0 HB3 GLN A 25 -9.569 -2.807 -6.065 1.00 22.12 H new ATOM 0 HG2 GLN A 25 -8.298 -1.335 -7.622 1.00 53.23 H new ATOM 0 HG3 GLN A 25 -8.856 -2.287 -8.984 1.00 53.23 H new ATOM 0 HE21 GLN A 25 -10.962 -1.429 -6.216 1.00 75.45 H new ATOM 0 HE22 GLN A 25 -11.975 -0.292 -7.112 1.00 75.45 H new ATOM 388 N THR A 26 -6.222 -4.581 -8.543 1.00 64.21 N ATOM 389 CA THR A 26 -5.582 -4.888 -9.860 1.00 11.22 C ATOM 390 C THR A 26 -6.019 -6.254 -10.446 1.00 52.31 C ATOM 391 O THR A 26 -5.996 -6.456 -11.663 1.00 13.13 O ATOM 392 CB THR A 26 -4.013 -4.841 -9.762 1.00 35.41 C ATOM 393 OG1 THR A 26 -3.406 -4.994 -11.067 1.00 73.54 O ATOM 394 CG2 THR A 26 -3.453 -5.923 -8.812 1.00 62.32 C ATOM 0 H THR A 26 -5.549 -4.423 -7.793 1.00 64.21 H new ATOM 0 HA THR A 26 -5.929 -4.109 -10.540 1.00 11.22 H new ATOM 0 HB THR A 26 -3.760 -3.863 -9.353 1.00 35.41 H new ATOM 0 HG1 THR A 26 -2.430 -4.960 -10.980 1.00 73.54 H new ATOM 0 HG21 THR A 26 -2.366 -5.850 -8.778 1.00 62.32 H new ATOM 0 HG22 THR A 26 -3.858 -5.774 -7.811 1.00 62.32 H new ATOM 0 HG23 THR A 26 -3.739 -6.910 -9.176 1.00 62.32 H new ATOM 402 N ASP A 27 -6.406 -7.185 -9.570 1.00 34.05 N ATOM 403 CA ASP A 27 -6.890 -8.522 -9.963 1.00 64.15 C ATOM 404 C ASP A 27 -8.270 -8.816 -9.312 1.00 61.53 C ATOM 405 O ASP A 27 -8.777 -9.933 -9.397 1.00 61.21 O ATOM 406 CB ASP A 27 -5.803 -9.552 -9.533 1.00 25.22 C ATOM 407 CG ASP A 27 -6.068 -10.997 -9.982 1.00 21.41 C ATOM 408 OD1 ASP A 27 -6.452 -11.203 -11.154 1.00 13.22 O ATOM 409 OD2 ASP A 27 -5.877 -11.934 -9.178 1.00 41.30 O ATOM 0 H ASP A 27 -6.394 -7.037 -8.561 1.00 34.05 H new ATOM 0 HA ASP A 27 -7.044 -8.585 -11.040 1.00 64.15 H new ATOM 0 HB2 ASP A 27 -4.841 -9.233 -9.935 1.00 25.22 H new ATOM 0 HB3 ASP A 27 -5.716 -9.535 -8.447 1.00 25.22 H new ATOM 414 N HIS A 28 -8.885 -7.776 -8.687 1.00 54.24 N ATOM 415 CA HIS A 28 -10.059 -7.920 -7.776 1.00 12.44 C ATOM 416 C HIS A 28 -9.731 -8.875 -6.595 1.00 20.41 C ATOM 417 O HIS A 28 -10.620 -9.391 -5.933 1.00 12.24 O ATOM 418 CB HIS A 28 -11.333 -8.390 -8.541 1.00 30.13 C ATOM 419 CG HIS A 28 -11.787 -7.442 -9.613 1.00 5.33 C ATOM 420 ND1 HIS A 28 -11.883 -7.782 -10.942 1.00 74.34 N ATOM 421 CD2 HIS A 28 -12.189 -6.160 -9.528 1.00 53.21 C ATOM 422 CE1 HIS A 28 -12.318 -6.749 -11.627 1.00 3.04 C ATOM 423 NE2 HIS A 28 -12.517 -5.747 -10.795 1.00 24.21 N ATOM 0 H HIS A 28 -8.581 -6.809 -8.800 1.00 54.24 H new ATOM 0 HA HIS A 28 -10.276 -6.934 -7.366 1.00 12.44 H new ATOM 0 HB2 HIS A 28 -11.136 -9.363 -8.991 1.00 30.13 H new ATOM 0 HB3 HIS A 28 -12.144 -8.528 -7.825 1.00 30.13 H new ATOM 0 HD2 HIS A 28 -12.243 -5.566 -8.628 1.00 53.21 H new ATOM 0 HE1 HIS A 28 -12.485 -6.725 -12.694 1.00 3.04 H new ATOM 0 HE2 HIS A 28 -12.858 -4.820 -11.050 1.00 24.21 H new ATOM 432 N ASP A 29 -8.428 -8.996 -6.313 1.00 61.04 N ATOM 433 CA ASP A 29 -7.821 -9.984 -5.389 1.00 31.23 C ATOM 434 C ASP A 29 -8.299 -9.858 -3.918 1.00 64.41 C ATOM 435 O ASP A 29 -8.238 -10.830 -3.152 1.00 51.13 O ATOM 436 CB ASP A 29 -6.279 -9.853 -5.497 1.00 25.43 C ATOM 437 CG ASP A 29 -5.810 -8.389 -5.396 1.00 31.11 C ATOM 438 OD1 ASP A 29 -5.721 -7.705 -6.449 1.00 34.45 O ATOM 439 OD2 ASP A 29 -5.551 -7.911 -4.279 1.00 74.04 O ATOM 0 H ASP A 29 -7.730 -8.385 -6.737 1.00 61.04 H new ATOM 0 HA ASP A 29 -8.151 -10.977 -5.694 1.00 31.23 H new ATOM 0 HB2 ASP A 29 -5.810 -10.438 -4.706 1.00 25.43 H new ATOM 0 HB3 ASP A 29 -5.946 -10.275 -6.445 1.00 25.43 H new ATOM 444 N HIS A 30 -8.754 -8.655 -3.534 1.00 50.41 N ATOM 445 CA HIS A 30 -9.363 -8.398 -2.203 1.00 73.34 C ATOM 446 C HIS A 30 -10.600 -9.301 -1.928 1.00 22.03 C ATOM 447 O HIS A 30 -10.896 -9.601 -0.782 1.00 53.31 O ATOM 448 CB HIS A 30 -9.752 -6.905 -2.065 1.00 0.13 C ATOM 449 CG HIS A 30 -10.854 -6.457 -2.992 1.00 34.21 C ATOM 450 ND1 HIS A 30 -12.151 -6.259 -2.571 1.00 15.33 N ATOM 451 CD2 HIS A 30 -10.852 -6.175 -4.318 1.00 14.33 C ATOM 452 CE1 HIS A 30 -12.892 -5.890 -3.592 1.00 63.04 C ATOM 453 NE2 HIS A 30 -12.130 -5.831 -4.657 1.00 13.13 N ATOM 0 H HIS A 30 -8.714 -7.829 -4.131 1.00 50.41 H new ATOM 0 HA HIS A 30 -8.609 -8.648 -1.457 1.00 73.34 H new ATOM 0 HB2 HIS A 30 -10.061 -6.717 -1.037 1.00 0.13 H new ATOM 0 HB3 HIS A 30 -8.868 -6.294 -2.250 1.00 0.13 H new ATOM 0 HD1 HIS A 30 -12.485 -6.380 -1.615 1.00 15.33 H new ATOM 0 HD2 HIS A 30 -10.001 -6.215 -4.981 1.00 14.33 H new ATOM 0 HE1 HIS A 30 -13.949 -5.672 -3.559 1.00 63.04 H new ATOM 462 N VAL A 31 -11.300 -9.721 -3.003 1.00 62.20 N ATOM 463 CA VAL A 31 -12.500 -10.603 -2.923 1.00 42.04 C ATOM 464 C VAL A 31 -12.136 -12.025 -2.412 1.00 75.20 C ATOM 465 O VAL A 31 -12.874 -12.614 -1.611 1.00 53.12 O ATOM 466 CB VAL A 31 -13.223 -10.685 -4.326 1.00 12.32 C ATOM 467 CG1 VAL A 31 -14.445 -11.635 -4.311 1.00 42.34 C ATOM 468 CG2 VAL A 31 -13.632 -9.272 -4.813 1.00 11.03 C ATOM 0 H VAL A 31 -11.054 -9.461 -3.958 1.00 62.20 H new ATOM 0 HA VAL A 31 -13.186 -10.160 -2.201 1.00 42.04 H new ATOM 0 HB VAL A 31 -12.505 -11.107 -5.029 1.00 12.32 H new ATOM 0 HG11 VAL A 31 -14.904 -11.653 -5.300 1.00 42.34 H new ATOM 0 HG12 VAL A 31 -14.121 -12.640 -4.042 1.00 42.34 H new ATOM 0 HG13 VAL A 31 -15.172 -11.281 -3.580 1.00 42.34 H new ATOM 0 HG21 VAL A 31 -14.128 -9.350 -5.780 1.00 11.03 H new ATOM 0 HG22 VAL A 31 -14.313 -8.821 -4.091 1.00 11.03 H new ATOM 0 HG23 VAL A 31 -12.743 -8.649 -4.911 1.00 11.03 H new ATOM 478 N ALA A 32 -10.968 -12.538 -2.861 1.00 4.24 N ATOM 479 CA ALA A 32 -10.432 -13.870 -2.461 1.00 75.13 C ATOM 480 C ALA A 32 -10.219 -14.000 -0.929 1.00 25.13 C ATOM 481 O ALA A 32 -10.320 -15.095 -0.366 1.00 0.34 O ATOM 482 CB ALA A 32 -9.107 -14.135 -3.205 1.00 43.03 C ATOM 0 H ALA A 32 -10.363 -12.041 -3.515 1.00 4.24 H new ATOM 0 HA ALA A 32 -11.177 -14.616 -2.737 1.00 75.13 H new ATOM 0 HB1 ALA A 32 -8.714 -15.109 -2.913 1.00 43.03 H new ATOM 0 HB2 ALA A 32 -9.285 -14.123 -4.280 1.00 43.03 H new ATOM 0 HB3 ALA A 32 -8.384 -13.361 -2.948 1.00 43.03 H new ATOM 488 N ILE A 33 -9.896 -12.866 -0.279 1.00 3.13 N ATOM 489 CA ILE A 33 -9.691 -12.780 1.193 1.00 12.22 C ATOM 490 C ILE A 33 -10.947 -12.181 1.897 1.00 2.21 C ATOM 491 O ILE A 33 -11.198 -12.437 3.078 1.00 44.34 O ATOM 492 CB ILE A 33 -8.396 -11.917 1.496 1.00 62.35 C ATOM 493 CG1 ILE A 33 -7.150 -12.590 0.820 1.00 14.45 C ATOM 494 CG2 ILE A 33 -8.157 -11.701 3.021 1.00 2.51 C ATOM 495 CD1 ILE A 33 -5.830 -11.857 0.989 1.00 5.15 C ATOM 0 H ILE A 33 -9.767 -11.974 -0.757 1.00 3.13 H new ATOM 0 HA ILE A 33 -9.545 -13.784 1.592 1.00 12.22 H new ATOM 0 HB ILE A 33 -8.551 -10.925 1.072 1.00 62.35 H new ATOM 0 HG12 ILE A 33 -7.040 -13.596 1.225 1.00 14.45 H new ATOM 0 HG13 ILE A 33 -7.351 -12.696 -0.246 1.00 14.45 H new ATOM 0 HG21 ILE A 33 -7.257 -11.104 3.167 1.00 2.51 H new ATOM 0 HG22 ILE A 33 -9.012 -11.181 3.453 1.00 2.51 H new ATOM 0 HG23 ILE A 33 -8.035 -12.667 3.511 1.00 2.51 H new ATOM 0 HD11 ILE A 33 -5.039 -12.410 0.483 1.00 5.15 H new ATOM 0 HD12 ILE A 33 -5.910 -10.860 0.556 1.00 5.15 H new ATOM 0 HD13 ILE A 33 -5.593 -11.774 2.050 1.00 5.15 H new ATOM 507 N GLY A 34 -11.749 -11.413 1.136 1.00 73.21 N ATOM 508 CA GLY A 34 -12.938 -10.718 1.670 1.00 31.41 C ATOM 509 C GLY A 34 -12.618 -9.379 2.353 1.00 50.12 C ATOM 510 O GLY A 34 -13.351 -8.940 3.246 1.00 14.31 O ATOM 0 H GLY A 34 -11.594 -11.257 0.140 1.00 73.21 H new ATOM 0 HA2 GLY A 34 -13.640 -10.541 0.856 1.00 31.41 H new ATOM 0 HA3 GLY A 34 -13.438 -11.370 2.386 1.00 31.41 H new ATOM 514 N ALA A 35 -11.523 -8.726 1.924 1.00 21.44 N ATOM 515 CA ALA A 35 -11.039 -7.449 2.504 1.00 35.15 C ATOM 516 C ALA A 35 -11.624 -6.208 1.786 1.00 75.31 C ATOM 517 O ALA A 35 -11.940 -6.255 0.589 1.00 1.31 O ATOM 518 CB ALA A 35 -9.507 -7.416 2.447 1.00 44.15 C ATOM 0 H ALA A 35 -10.941 -9.068 1.159 1.00 21.44 H new ATOM 0 HA ALA A 35 -11.381 -7.405 3.538 1.00 35.15 H new ATOM 0 HB1 ALA A 35 -9.147 -6.479 2.872 1.00 44.15 H new ATOM 0 HB2 ALA A 35 -9.104 -8.252 3.018 1.00 44.15 H new ATOM 0 HB3 ALA A 35 -9.180 -7.493 1.410 1.00 44.15 H new ATOM 524 N ASP A 36 -11.752 -5.097 2.545 1.00 44.11 N ATOM 525 CA ASP A 36 -12.184 -3.786 2.016 1.00 25.40 C ATOM 526 C ASP A 36 -10.944 -2.971 1.556 1.00 63.21 C ATOM 527 O ASP A 36 -10.358 -2.203 2.330 1.00 24.35 O ATOM 528 CB ASP A 36 -12.998 -3.011 3.088 1.00 72.35 C ATOM 529 CG ASP A 36 -14.141 -3.845 3.688 1.00 73.15 C ATOM 530 OD1 ASP A 36 -15.153 -4.066 2.997 1.00 54.25 O ATOM 531 OD2 ASP A 36 -14.019 -4.304 4.844 1.00 20.34 O ATOM 0 H ASP A 36 -11.557 -5.086 3.546 1.00 44.11 H new ATOM 0 HA ASP A 36 -12.833 -3.943 1.154 1.00 25.40 H new ATOM 0 HB2 ASP A 36 -12.328 -2.694 3.887 1.00 72.35 H new ATOM 0 HB3 ASP A 36 -13.411 -2.107 2.640 1.00 72.35 H new ATOM 536 N CYS A 37 -10.555 -3.165 0.284 1.00 10.25 N ATOM 537 CA CYS A 37 -9.282 -2.649 -0.283 1.00 61.40 C ATOM 538 C CYS A 37 -9.251 -1.110 -0.424 1.00 20.11 C ATOM 539 O CYS A 37 -8.216 -0.494 -0.179 1.00 34.23 O ATOM 540 CB CYS A 37 -9.012 -3.309 -1.652 1.00 24.44 C ATOM 541 SG CYS A 37 -10.300 -3.024 -2.890 1.00 51.51 S ATOM 0 H CYS A 37 -11.114 -3.687 -0.390 1.00 10.25 H new ATOM 0 HA CYS A 37 -8.496 -2.911 0.425 1.00 61.40 H new ATOM 0 HB2 CYS A 37 -8.064 -2.936 -2.040 1.00 24.44 H new ATOM 0 HB3 CYS A 37 -8.897 -4.383 -1.507 1.00 24.44 H new ATOM 0 HG CYS A 37 -9.975 -3.618 -3.999 1.00 51.51 H new ATOM 547 N GLU A 38 -10.380 -0.498 -0.818 1.00 64.00 N ATOM 548 CA GLU A 38 -10.484 0.983 -0.958 1.00 22.11 C ATOM 549 C GLU A 38 -10.388 1.696 0.418 1.00 74.52 C ATOM 550 O GLU A 38 -9.843 2.805 0.520 1.00 1.35 O ATOM 551 CB GLU A 38 -11.790 1.397 -1.703 1.00 71.32 C ATOM 552 CG GLU A 38 -13.118 1.196 -0.936 1.00 34.43 C ATOM 553 CD GLU A 38 -13.455 -0.275 -0.634 1.00 43.44 C ATOM 554 OE1 GLU A 38 -13.907 -0.990 -1.547 1.00 11.42 O ATOM 555 OE2 GLU A 38 -13.254 -0.721 0.520 1.00 40.03 O ATOM 0 H GLU A 38 -11.239 -0.997 -1.048 1.00 64.00 H new ATOM 0 HA GLU A 38 -9.636 1.306 -1.562 1.00 22.11 H new ATOM 0 HB2 GLU A 38 -11.709 2.450 -1.974 1.00 71.32 H new ATOM 0 HB3 GLU A 38 -11.845 0.832 -2.634 1.00 71.32 H new ATOM 0 HG2 GLU A 38 -13.069 1.746 0.004 1.00 34.43 H new ATOM 0 HG3 GLU A 38 -13.930 1.631 -1.518 1.00 34.43 H new ATOM 562 N ARG A 39 -10.915 1.032 1.471 1.00 75.43 N ATOM 563 CA ARG A 39 -10.818 1.506 2.865 1.00 4.54 C ATOM 564 C ARG A 39 -9.346 1.425 3.343 1.00 71.12 C ATOM 565 O ARG A 39 -8.852 2.347 3.997 1.00 5.21 O ATOM 566 CB ARG A 39 -11.790 0.680 3.778 1.00 61.52 C ATOM 567 CG ARG A 39 -11.954 1.175 5.251 1.00 24.23 C ATOM 568 CD ARG A 39 -10.861 0.655 6.210 1.00 11.21 C ATOM 569 NE ARG A 39 -10.889 1.337 7.516 1.00 14.13 N ATOM 570 CZ ARG A 39 -10.257 0.942 8.603 1.00 52.01 C ATOM 571 NH1 ARG A 39 -9.581 -0.165 8.635 1.00 34.33 N ATOM 572 NH2 ARG A 39 -10.309 1.670 9.668 1.00 14.42 N ATOM 0 H ARG A 39 -11.420 0.151 1.375 1.00 75.43 H new ATOM 0 HA ARG A 39 -11.125 2.550 2.928 1.00 4.54 H new ATOM 0 HB2 ARG A 39 -12.774 0.672 3.309 1.00 61.52 H new ATOM 0 HB3 ARG A 39 -11.440 -0.352 3.802 1.00 61.52 H new ATOM 0 HG2 ARG A 39 -11.944 2.265 5.261 1.00 24.23 H new ATOM 0 HG3 ARG A 39 -12.929 0.862 5.623 1.00 24.23 H new ATOM 0 HD2 ARG A 39 -10.993 -0.417 6.360 1.00 11.21 H new ATOM 0 HD3 ARG A 39 -9.882 0.795 5.751 1.00 11.21 H new ATOM 0 HE ARG A 39 -11.446 2.189 7.585 1.00 14.13 H new ATOM 0 HH11 ARG A 39 -9.529 -0.755 7.804 1.00 34.33 H new ATOM 0 HH12 ARG A 39 -9.102 -0.445 9.491 1.00 34.33 H new ATOM 0 HH21 ARG A 39 -10.836 2.543 9.664 1.00 14.42 H new ATOM 0 HH22 ARG A 39 -9.823 1.372 10.514 1.00 14.42 H new ATOM 586 N LEU A 40 -8.660 0.307 3.003 1.00 52.23 N ATOM 587 CA LEU A 40 -7.212 0.135 3.277 1.00 74.32 C ATOM 588 C LEU A 40 -6.381 1.254 2.605 1.00 71.34 C ATOM 589 O LEU A 40 -5.524 1.843 3.244 1.00 33.04 O ATOM 590 CB LEU A 40 -6.711 -1.252 2.789 1.00 64.00 C ATOM 591 CG LEU A 40 -7.279 -2.494 3.544 1.00 65.54 C ATOM 592 CD1 LEU A 40 -6.821 -3.810 2.883 1.00 4.03 C ATOM 593 CD2 LEU A 40 -6.895 -2.465 5.044 1.00 3.22 C ATOM 0 H LEU A 40 -9.088 -0.492 2.536 1.00 52.23 H new ATOM 0 HA LEU A 40 -7.077 0.197 4.357 1.00 74.32 H new ATOM 0 HB2 LEU A 40 -6.956 -1.352 1.732 1.00 64.00 H new ATOM 0 HB3 LEU A 40 -5.624 -1.271 2.868 1.00 64.00 H new ATOM 0 HG LEU A 40 -8.366 -2.448 3.477 1.00 65.54 H new ATOM 0 HD11 LEU A 40 -7.234 -4.656 3.433 1.00 4.03 H new ATOM 0 HD12 LEU A 40 -7.173 -3.841 1.852 1.00 4.03 H new ATOM 0 HD13 LEU A 40 -5.732 -3.864 2.897 1.00 4.03 H new ATOM 0 HD21 LEU A 40 -7.306 -3.343 5.542 1.00 3.22 H new ATOM 0 HD22 LEU A 40 -5.809 -2.467 5.142 1.00 3.22 H new ATOM 0 HD23 LEU A 40 -7.299 -1.564 5.506 1.00 3.22 H new ATOM 605 N SER A 41 -6.687 1.538 1.323 1.00 2.43 N ATOM 606 CA SER A 41 -6.000 2.579 0.507 1.00 40.10 C ATOM 607 C SER A 41 -6.052 3.976 1.165 1.00 73.43 C ATOM 608 O SER A 41 -5.063 4.718 1.154 1.00 14.43 O ATOM 609 CB SER A 41 -6.640 2.647 -0.898 1.00 32.44 C ATOM 610 OG SER A 41 -6.050 3.651 -1.705 1.00 65.13 O ATOM 0 H SER A 41 -7.424 1.051 0.813 1.00 2.43 H new ATOM 0 HA SER A 41 -4.951 2.291 0.433 1.00 40.10 H new ATOM 0 HB2 SER A 41 -6.537 1.680 -1.390 1.00 32.44 H new ATOM 0 HB3 SER A 41 -7.708 2.842 -0.800 1.00 32.44 H new ATOM 0 HG SER A 41 -6.596 3.789 -2.507 1.00 65.13 H new ATOM 616 N ALA A 42 -7.222 4.311 1.739 1.00 41.44 N ATOM 617 CA ALA A 42 -7.419 5.562 2.501 1.00 71.32 C ATOM 618 C ALA A 42 -6.483 5.626 3.736 1.00 14.23 C ATOM 619 O ALA A 42 -5.807 6.629 3.961 1.00 3.55 O ATOM 620 CB ALA A 42 -8.892 5.690 2.927 1.00 42.13 C ATOM 0 H ALA A 42 -8.056 3.726 1.689 1.00 41.44 H new ATOM 0 HA ALA A 42 -7.163 6.401 1.853 1.00 71.32 H new ATOM 0 HB1 ALA A 42 -9.029 6.614 3.488 1.00 42.13 H new ATOM 0 HB2 ALA A 42 -9.527 5.705 2.041 1.00 42.13 H new ATOM 0 HB3 ALA A 42 -9.165 4.841 3.554 1.00 42.13 H new ATOM 626 N GLN A 43 -6.436 4.518 4.498 1.00 31.20 N ATOM 627 CA GLN A 43 -5.599 4.395 5.718 1.00 41.12 C ATOM 628 C GLN A 43 -4.075 4.488 5.401 1.00 61.13 C ATOM 629 O GLN A 43 -3.326 5.182 6.102 1.00 75.30 O ATOM 630 CB GLN A 43 -5.913 3.050 6.435 1.00 12.04 C ATOM 631 CG GLN A 43 -7.376 2.852 6.870 1.00 42.24 C ATOM 632 CD GLN A 43 -7.867 3.899 7.873 1.00 40.42 C ATOM 633 OE1 GLN A 43 -8.395 4.941 7.501 1.00 4.43 O ATOM 634 NE2 GLN A 43 -7.696 3.628 9.153 1.00 21.22 N ATOM 0 H GLN A 43 -6.976 3.678 4.290 1.00 31.20 H new ATOM 0 HA GLN A 43 -5.844 5.232 6.372 1.00 41.12 H new ATOM 0 HB2 GLN A 43 -5.637 2.232 5.770 1.00 12.04 H new ATOM 0 HB3 GLN A 43 -5.277 2.972 7.317 1.00 12.04 H new ATOM 0 HG2 GLN A 43 -8.015 2.880 5.987 1.00 42.24 H new ATOM 0 HG3 GLN A 43 -7.484 1.861 7.311 1.00 42.24 H new ATOM 0 HE21 GLN A 43 -7.254 2.753 9.434 1.00 21.22 H new ATOM 0 HE22 GLN A 43 -8.006 4.293 9.861 1.00 21.22 H new ATOM 643 N ILE A 44 -3.642 3.770 4.337 1.00 73.42 N ATOM 644 CA ILE A 44 -2.231 3.733 3.876 1.00 31.10 C ATOM 645 C ILE A 44 -1.749 5.147 3.482 1.00 32.41 C ATOM 646 O ILE A 44 -0.701 5.616 3.952 1.00 43.21 O ATOM 647 CB ILE A 44 -2.054 2.754 2.638 1.00 23.11 C ATOM 648 CG1 ILE A 44 -2.459 1.289 3.019 1.00 45.13 C ATOM 649 CG2 ILE A 44 -0.606 2.789 2.067 1.00 74.02 C ATOM 650 CD1 ILE A 44 -2.458 0.293 1.859 1.00 73.51 C ATOM 0 H ILE A 44 -4.266 3.196 3.770 1.00 73.42 H new ATOM 0 HA ILE A 44 -1.628 3.362 4.705 1.00 31.10 H new ATOM 0 HB ILE A 44 -2.724 3.108 1.854 1.00 23.11 H new ATOM 0 HG12 ILE A 44 -1.776 0.928 3.788 1.00 45.13 H new ATOM 0 HG13 ILE A 44 -3.455 1.307 3.461 1.00 45.13 H new ATOM 0 HG21 ILE A 44 -0.531 2.104 1.222 1.00 74.02 H new ATOM 0 HG22 ILE A 44 -0.370 3.800 1.736 1.00 74.02 H new ATOM 0 HG23 ILE A 44 0.098 2.487 2.842 1.00 74.02 H new ATOM 0 HD11 ILE A 44 -2.751 -0.691 2.224 1.00 73.51 H new ATOM 0 HD12 ILE A 44 -3.164 0.622 1.096 1.00 73.51 H new ATOM 0 HD13 ILE A 44 -1.458 0.237 1.428 1.00 73.51 H new ATOM 662 N GLU A 45 -2.544 5.822 2.630 1.00 20.02 N ATOM 663 CA GLU A 45 -2.211 7.166 2.139 1.00 13.24 C ATOM 664 C GLU A 45 -2.146 8.191 3.294 1.00 4.52 C ATOM 665 O GLU A 45 -1.190 8.942 3.383 1.00 31.20 O ATOM 666 CB GLU A 45 -3.233 7.664 1.095 1.00 22.00 C ATOM 667 CG GLU A 45 -2.864 9.051 0.500 1.00 62.02 C ATOM 668 CD GLU A 45 -4.038 9.780 -0.143 1.00 21.44 C ATOM 669 OE1 GLU A 45 -5.110 9.845 0.480 1.00 4.43 O ATOM 670 OE2 GLU A 45 -3.888 10.335 -1.229 1.00 64.40 O ATOM 0 H GLU A 45 -3.424 5.454 2.268 1.00 20.02 H new ATOM 0 HA GLU A 45 -1.231 7.084 1.670 1.00 13.24 H new ATOM 0 HB2 GLU A 45 -3.304 6.935 0.287 1.00 22.00 H new ATOM 0 HB3 GLU A 45 -4.218 7.724 1.558 1.00 22.00 H new ATOM 0 HG2 GLU A 45 -2.450 9.676 1.291 1.00 62.02 H new ATOM 0 HG3 GLU A 45 -2.079 8.919 -0.245 1.00 62.02 H new ATOM 677 N GLU A 46 -3.169 8.203 4.163 1.00 51.31 N ATOM 678 CA GLU A 46 -3.278 9.183 5.268 1.00 65.55 C ATOM 679 C GLU A 46 -2.119 9.075 6.300 1.00 73.20 C ATOM 680 O GLU A 46 -1.740 10.080 6.909 1.00 2.12 O ATOM 681 CB GLU A 46 -4.669 9.103 5.952 1.00 70.22 C ATOM 682 CG GLU A 46 -5.858 9.607 5.075 1.00 5.32 C ATOM 683 CD GLU A 46 -5.914 11.133 4.781 1.00 54.31 C ATOM 684 OE1 GLU A 46 -4.938 11.871 5.048 1.00 33.53 O ATOM 685 OE2 GLU A 46 -6.941 11.603 4.242 1.00 11.44 O ATOM 0 H GLU A 46 -3.943 7.540 4.125 1.00 51.31 H new ATOM 0 HA GLU A 46 -3.180 10.170 4.816 1.00 65.55 H new ATOM 0 HB2 GLU A 46 -4.859 8.068 6.238 1.00 70.22 H new ATOM 0 HB3 GLU A 46 -4.641 9.687 6.872 1.00 70.22 H new ATOM 0 HG2 GLU A 46 -5.826 9.078 4.122 1.00 5.32 H new ATOM 0 HG3 GLU A 46 -6.788 9.321 5.567 1.00 5.32 H new ATOM 692 N CYS A 47 -1.587 7.854 6.509 1.00 14.33 N ATOM 693 CA CYS A 47 -0.372 7.635 7.341 1.00 5.02 C ATOM 694 C CYS A 47 0.875 8.355 6.756 1.00 64.12 C ATOM 695 O CYS A 47 1.567 9.097 7.469 1.00 15.32 O ATOM 696 CB CYS A 47 -0.092 6.117 7.506 1.00 41.42 C ATOM 697 SG CYS A 47 -1.310 5.249 8.529 1.00 3.44 S ATOM 0 H CYS A 47 -1.976 6.998 6.114 1.00 14.33 H new ATOM 0 HA CYS A 47 -0.569 8.069 8.321 1.00 5.02 H new ATOM 0 HB2 CYS A 47 -0.065 5.654 6.520 1.00 41.42 H new ATOM 0 HB3 CYS A 47 0.896 5.986 7.947 1.00 41.42 H new ATOM 0 HG CYS A 47 -2.381 5.020 7.828 1.00 3.44 H new ATOM 703 N ILE A 48 1.140 8.155 5.449 1.00 23.12 N ATOM 704 CA ILE A 48 2.307 8.767 4.752 1.00 3.23 C ATOM 705 C ILE A 48 2.051 10.275 4.416 1.00 60.44 C ATOM 706 O ILE A 48 2.991 11.069 4.329 1.00 64.24 O ATOM 707 CB ILE A 48 2.699 7.940 3.453 1.00 43.45 C ATOM 708 CG1 ILE A 48 4.068 8.412 2.864 1.00 21.31 C ATOM 709 CG2 ILE A 48 1.584 7.984 2.375 1.00 71.12 C ATOM 710 CD1 ILE A 48 4.518 7.694 1.600 1.00 61.33 C ATOM 0 H ILE A 48 0.561 7.571 4.845 1.00 23.12 H new ATOM 0 HA ILE A 48 3.155 8.728 5.436 1.00 3.23 H new ATOM 0 HB ILE A 48 2.808 6.901 3.763 1.00 43.45 H new ATOM 0 HG12 ILE A 48 4.004 9.479 2.652 1.00 21.31 H new ATOM 0 HG13 ILE A 48 4.836 8.284 3.627 1.00 21.31 H new ATOM 0 HG21 ILE A 48 1.896 7.405 1.505 1.00 71.12 H new ATOM 0 HG22 ILE A 48 0.666 7.560 2.783 1.00 71.12 H new ATOM 0 HG23 ILE A 48 1.405 9.017 2.078 1.00 71.12 H new ATOM 0 HD11 ILE A 48 5.477 8.096 1.275 1.00 61.33 H new ATOM 0 HD12 ILE A 48 4.622 6.628 1.804 1.00 61.33 H new ATOM 0 HD13 ILE A 48 3.777 7.842 0.814 1.00 61.33 H new ATOM 722 N PHE A 49 0.759 10.654 4.290 1.00 42.31 N ATOM 723 CA PHE A 49 0.317 12.017 3.873 1.00 2.21 C ATOM 724 C PHE A 49 0.766 13.117 4.863 1.00 11.01 C ATOM 725 O PHE A 49 1.009 14.257 4.456 1.00 23.21 O ATOM 726 CB PHE A 49 -1.234 12.050 3.710 1.00 32.04 C ATOM 727 CG PHE A 49 -1.822 13.421 3.331 1.00 73.34 C ATOM 728 CD1 PHE A 49 -1.757 13.891 2.017 1.00 62.23 C ATOM 729 CD2 PHE A 49 -2.428 14.241 4.289 1.00 35.11 C ATOM 730 CE1 PHE A 49 -2.271 15.132 1.677 1.00 44.30 C ATOM 731 CE2 PHE A 49 -2.941 15.477 3.946 1.00 70.53 C ATOM 732 CZ PHE A 49 -2.864 15.923 2.640 1.00 71.23 C ATOM 0 H PHE A 49 -0.019 10.021 4.475 1.00 42.31 H new ATOM 0 HA PHE A 49 0.795 12.229 2.917 1.00 2.21 H new ATOM 0 HB2 PHE A 49 -1.519 11.326 2.946 1.00 32.04 H new ATOM 0 HB3 PHE A 49 -1.689 11.723 4.645 1.00 32.04 H new ATOM 0 HD1 PHE A 49 -1.299 13.278 1.255 1.00 62.23 H new ATOM 0 HD2 PHE A 49 -2.496 13.903 5.312 1.00 35.11 H new ATOM 0 HE1 PHE A 49 -2.207 15.481 0.657 1.00 44.30 H new ATOM 0 HE2 PHE A 49 -3.403 16.096 4.700 1.00 70.53 H new ATOM 0 HZ PHE A 49 -3.267 16.889 2.374 1.00 71.23 H new ATOM 742 N ARG A 50 0.875 12.757 6.149 1.00 24.15 N ATOM 743 CA ARG A 50 1.169 13.707 7.243 1.00 64.30 C ATOM 744 C ARG A 50 2.509 14.474 7.007 1.00 44.41 C ATOM 745 O ARG A 50 2.544 15.708 7.091 1.00 24.01 O ATOM 746 CB ARG A 50 1.165 12.946 8.599 1.00 22.01 C ATOM 747 CG ARG A 50 -0.138 12.147 8.851 1.00 54.53 C ATOM 748 CD ARG A 50 -0.159 11.386 10.188 1.00 41.34 C ATOM 749 NE ARG A 50 -1.349 10.511 10.308 1.00 72.42 N ATOM 750 CZ ARG A 50 -2.426 10.758 11.035 1.00 50.43 C ATOM 751 NH1 ARG A 50 -2.588 11.887 11.653 1.00 74.35 N ATOM 752 NH2 ARG A 50 -3.367 9.875 11.108 1.00 70.41 N ATOM 0 H ARG A 50 0.762 11.794 6.467 1.00 24.15 H new ATOM 0 HA ARG A 50 0.389 14.468 7.266 1.00 64.30 H new ATOM 0 HB2 ARG A 50 2.013 12.262 8.626 1.00 22.01 H new ATOM 0 HB3 ARG A 50 1.307 13.661 9.409 1.00 22.01 H new ATOM 0 HG2 ARG A 50 -0.984 12.834 8.823 1.00 54.53 H new ATOM 0 HG3 ARG A 50 -0.278 11.435 8.038 1.00 54.53 H new ATOM 0 HD2 ARG A 50 0.745 10.783 10.277 1.00 41.34 H new ATOM 0 HD3 ARG A 50 -0.149 12.100 11.012 1.00 41.34 H new ATOM 0 HE ARG A 50 -1.336 9.638 9.781 1.00 72.42 H new ATOM 0 HH11 ARG A 50 -1.874 12.612 11.585 1.00 74.35 H new ATOM 0 HH12 ARG A 50 -3.429 12.049 12.207 1.00 74.35 H new ATOM 0 HH21 ARG A 50 -3.277 8.992 10.606 1.00 70.41 H new ATOM 0 HH22 ARG A 50 -4.199 10.062 11.668 1.00 70.41 H new ATOM 766 N ASP A 51 3.593 13.734 6.702 1.00 4.43 N ATOM 767 CA ASP A 51 4.905 14.332 6.321 1.00 72.31 C ATOM 768 C ASP A 51 5.027 14.557 4.786 1.00 40.23 C ATOM 769 O ASP A 51 5.279 15.672 4.313 1.00 51.04 O ATOM 770 CB ASP A 51 6.054 13.409 6.813 1.00 13.02 C ATOM 771 CG ASP A 51 7.456 13.922 6.421 1.00 31.12 C ATOM 772 OD1 ASP A 51 7.985 14.820 7.115 1.00 53.44 O ATOM 773 OD2 ASP A 51 8.024 13.447 5.407 1.00 24.21 O ATOM 0 H ASP A 51 3.594 12.714 6.710 1.00 4.43 H new ATOM 0 HA ASP A 51 4.976 15.310 6.797 1.00 72.31 H new ATOM 0 HB2 ASP A 51 5.998 13.317 7.898 1.00 13.02 H new ATOM 0 HB3 ASP A 51 5.911 12.410 6.400 1.00 13.02 H new ATOM 778 N VAL A 52 4.829 13.470 4.029 1.00 53.25 N ATOM 779 CA VAL A 52 5.158 13.392 2.583 1.00 22.10 C ATOM 780 C VAL A 52 4.083 14.059 1.682 1.00 53.23 C ATOM 781 O VAL A 52 4.400 14.547 0.594 1.00 50.02 O ATOM 782 CB VAL A 52 5.372 11.884 2.170 1.00 73.24 C ATOM 783 CG1 VAL A 52 5.700 11.718 0.671 1.00 73.12 C ATOM 784 CG2 VAL A 52 6.472 11.223 3.038 1.00 11.11 C ATOM 0 H VAL A 52 4.432 12.606 4.399 1.00 53.25 H new ATOM 0 HA VAL A 52 6.079 13.953 2.427 1.00 22.10 H new ATOM 0 HB VAL A 52 4.424 11.376 2.350 1.00 73.24 H new ATOM 0 HG11 VAL A 52 5.837 10.661 0.443 1.00 73.12 H new ATOM 0 HG12 VAL A 52 4.880 12.115 0.073 1.00 73.12 H new ATOM 0 HG13 VAL A 52 6.615 12.261 0.437 1.00 73.12 H new ATOM 0 HG21 VAL A 52 6.600 10.184 2.734 1.00 11.11 H new ATOM 0 HG22 VAL A 52 7.412 11.759 2.905 1.00 11.11 H new ATOM 0 HG23 VAL A 52 6.179 11.260 4.087 1.00 11.11 H new ATOM 794 N GLY A 53 2.833 14.134 2.176 1.00 61.23 N ATOM 795 CA GLY A 53 1.685 14.648 1.394 1.00 40.14 C ATOM 796 C GLY A 53 1.644 16.179 1.189 1.00 33.25 C ATOM 797 O GLY A 53 0.573 16.754 0.969 1.00 41.21 O ATOM 0 H GLY A 53 2.588 13.843 3.122 1.00 61.23 H new ATOM 0 HA2 GLY A 53 1.693 14.169 0.415 1.00 40.14 H new ATOM 0 HA3 GLY A 53 0.765 14.342 1.891 1.00 40.14 H new ATOM 801 N ASN A 54 2.821 16.822 1.266 1.00 2.22 N ATOM 802 CA ASN A 54 3.057 18.220 0.835 1.00 51.54 C ATOM 803 C ASN A 54 2.906 18.391 -0.710 1.00 1.35 C ATOM 804 O ASN A 54 2.810 19.517 -1.209 1.00 64.22 O ATOM 805 CB ASN A 54 4.472 18.654 1.317 1.00 52.41 C ATOM 806 CG ASN A 54 5.618 17.711 0.879 1.00 13.33 C ATOM 807 OD1 ASN A 54 5.622 17.142 -0.213 1.00 15.24 O ATOM 808 ND2 ASN A 54 6.586 17.510 1.744 1.00 63.24 N ATOM 0 H ASN A 54 3.660 16.377 1.639 1.00 2.22 H new ATOM 0 HA ASN A 54 2.301 18.863 1.285 1.00 51.54 H new ATOM 0 HB2 ASN A 54 4.679 19.656 0.940 1.00 52.41 H new ATOM 0 HB3 ASN A 54 4.467 18.718 2.405 1.00 52.41 H new ATOM 0 HD21 ASN A 54 7.352 16.877 1.514 1.00 63.24 H new ATOM 0 HD22 ASN A 54 6.572 17.987 2.645 1.00 63.24 H new ATOM 815 N THR A 55 2.954 17.245 -1.442 1.00 3.22 N ATOM 816 CA THR A 55 2.690 17.126 -2.906 1.00 52.42 C ATOM 817 C THR A 55 3.657 17.957 -3.799 1.00 42.32 C ATOM 818 O THR A 55 3.353 18.204 -4.971 1.00 31.45 O ATOM 819 CB THR A 55 1.181 17.435 -3.288 1.00 74.44 C ATOM 820 OG1 THR A 55 0.847 18.818 -3.051 1.00 44.21 O ATOM 821 CG2 THR A 55 0.187 16.540 -2.520 1.00 10.11 C ATOM 0 H THR A 55 3.185 16.347 -1.016 1.00 3.22 H new ATOM 0 HA THR A 55 2.888 16.076 -3.122 1.00 52.42 H new ATOM 0 HB THR A 55 1.093 17.218 -4.353 1.00 74.44 H new ATOM 0 HG1 THR A 55 1.561 19.243 -2.531 1.00 44.21 H new ATOM 0 HG21 THR A 55 -0.832 16.790 -2.816 1.00 10.11 H new ATOM 0 HG22 THR A 55 0.386 15.494 -2.752 1.00 10.11 H new ATOM 0 HG23 THR A 55 0.304 16.703 -1.449 1.00 10.11 H new ATOM 829 N ASP A 56 4.839 18.335 -3.257 1.00 24.01 N ATOM 830 CA ASP A 56 5.876 19.071 -4.024 1.00 11.05 C ATOM 831 C ASP A 56 6.469 18.192 -5.160 1.00 25.02 C ATOM 832 O ASP A 56 6.263 18.483 -6.341 1.00 10.00 O ATOM 833 CB ASP A 56 6.998 19.582 -3.082 1.00 21.22 C ATOM 834 CG ASP A 56 6.509 20.652 -2.097 1.00 14.54 C ATOM 835 OD1 ASP A 56 6.256 21.796 -2.531 1.00 74.32 O ATOM 836 OD2 ASP A 56 6.386 20.367 -0.895 1.00 23.22 O ATOM 0 H ASP A 56 5.100 18.143 -2.290 1.00 24.01 H new ATOM 0 HA ASP A 56 5.397 19.934 -4.487 1.00 11.05 H new ATOM 0 HB2 ASP A 56 7.407 18.741 -2.523 1.00 21.22 H new ATOM 0 HB3 ASP A 56 7.811 19.992 -3.682 1.00 21.22 H new ATOM 841 N MET A 57 7.194 17.112 -4.788 1.00 73.32 N ATOM 842 CA MET A 57 7.773 16.148 -5.767 1.00 10.44 C ATOM 843 C MET A 57 7.946 14.743 -5.144 1.00 40.32 C ATOM 844 O MET A 57 7.650 13.731 -5.794 1.00 60.25 O ATOM 845 CB MET A 57 9.136 16.663 -6.324 1.00 52.24 C ATOM 846 CG MET A 57 9.787 15.764 -7.396 1.00 12.40 C ATOM 847 SD MET A 57 11.331 16.446 -8.045 1.00 14.14 S ATOM 848 CE MET A 57 11.824 15.167 -9.204 1.00 71.21 C ATOM 0 H MET A 57 7.395 16.881 -3.815 1.00 73.32 H new ATOM 0 HA MET A 57 7.069 16.067 -6.595 1.00 10.44 H new ATOM 0 HB2 MET A 57 8.986 17.656 -6.747 1.00 52.24 H new ATOM 0 HB3 MET A 57 9.832 16.773 -5.493 1.00 52.24 H new ATOM 0 HG2 MET A 57 9.982 14.780 -6.968 1.00 12.40 H new ATOM 0 HG3 MET A 57 9.085 15.621 -8.218 1.00 12.40 H new ATOM 0 HE1 MET A 57 12.762 15.451 -9.681 1.00 71.21 H new ATOM 0 HE2 MET A 57 11.958 14.225 -8.671 1.00 71.21 H new ATOM 0 HE3 MET A 57 11.052 15.047 -9.964 1.00 71.21 H new ATOM 858 N LYS A 58 8.431 14.706 -3.883 1.00 41.44 N ATOM 859 CA LYS A 58 8.673 13.449 -3.137 1.00 10.32 C ATOM 860 C LYS A 58 7.423 12.533 -3.112 1.00 22.05 C ATOM 861 O LYS A 58 7.522 11.349 -3.421 1.00 41.12 O ATOM 862 CB LYS A 58 9.176 13.749 -1.691 1.00 11.11 C ATOM 863 CG LYS A 58 8.215 14.587 -0.804 1.00 45.35 C ATOM 864 CD LYS A 58 8.737 14.814 0.639 1.00 53.31 C ATOM 865 CE LYS A 58 8.989 13.498 1.404 1.00 21.41 C ATOM 866 NZ LYS A 58 9.291 13.726 2.843 1.00 3.21 N ATOM 0 H LYS A 58 8.666 15.545 -3.353 1.00 41.44 H new ATOM 0 HA LYS A 58 9.455 12.906 -3.668 1.00 10.32 H new ATOM 0 HB2 LYS A 58 9.370 12.801 -1.189 1.00 11.11 H new ATOM 0 HB3 LYS A 58 10.129 14.274 -1.759 1.00 11.11 H new ATOM 0 HG2 LYS A 58 8.049 15.555 -1.277 1.00 45.35 H new ATOM 0 HG3 LYS A 58 7.248 14.085 -0.757 1.00 45.35 H new ATOM 0 HD2 LYS A 58 9.663 15.387 0.598 1.00 53.31 H new ATOM 0 HD3 LYS A 58 8.014 15.415 1.190 1.00 53.31 H new ATOM 0 HE2 LYS A 58 8.112 12.857 1.317 1.00 21.41 H new ATOM 0 HE3 LYS A 58 9.820 12.966 0.941 1.00 21.41 H new ATOM 0 HZ1 LYS A 58 10.046 13.078 3.146 1.00 3.21 H new ATOM 0 HZ2 LYS A 58 9.603 14.709 2.981 1.00 3.21 H new ATOM 0 HZ3 LYS A 58 8.436 13.551 3.409 1.00 3.21 H new ATOM 880 N TYR A 59 6.251 13.129 -2.814 1.00 64.43 N ATOM 881 CA TYR A 59 4.954 12.416 -2.732 1.00 11.33 C ATOM 882 C TYR A 59 4.607 11.668 -4.036 1.00 63.13 C ATOM 883 O TYR A 59 4.211 10.504 -3.995 1.00 33.23 O ATOM 884 CB TYR A 59 3.837 13.423 -2.348 1.00 64.22 C ATOM 885 CG TYR A 59 2.408 12.840 -2.327 1.00 23.41 C ATOM 886 CD1 TYR A 59 1.981 12.018 -1.281 1.00 61.41 C ATOM 887 CD2 TYR A 59 1.502 13.095 -3.366 1.00 61.14 C ATOM 888 CE1 TYR A 59 0.704 11.484 -1.265 1.00 53.43 C ATOM 889 CE2 TYR A 59 0.231 12.557 -3.353 1.00 73.21 C ATOM 890 CZ TYR A 59 -0.162 11.753 -2.305 1.00 30.04 C ATOM 891 OH TYR A 59 -1.419 11.204 -2.314 1.00 33.24 O ATOM 0 H TYR A 59 6.174 14.128 -2.621 1.00 64.43 H new ATOM 0 HA TYR A 59 5.036 11.652 -1.959 1.00 11.33 H new ATOM 0 HB2 TYR A 59 4.061 13.831 -1.362 1.00 64.22 H new ATOM 0 HB3 TYR A 59 3.863 14.256 -3.051 1.00 64.22 H new ATOM 0 HD1 TYR A 59 2.659 11.795 -0.471 1.00 61.41 H new ATOM 0 HD2 TYR A 59 1.804 13.723 -4.191 1.00 61.14 H new ATOM 0 HE1 TYR A 59 0.387 10.860 -0.443 1.00 53.43 H new ATOM 0 HE2 TYR A 59 -0.454 12.766 -4.162 1.00 73.21 H new ATOM 0 HH TYR A 59 -1.787 11.215 -1.406 1.00 33.24 H new ATOM 901 N LYS A 60 4.798 12.353 -5.178 1.00 33.23 N ATOM 902 CA LYS A 60 4.541 11.792 -6.526 1.00 74.04 C ATOM 903 C LYS A 60 5.330 10.482 -6.759 1.00 31.42 C ATOM 904 O LYS A 60 4.778 9.486 -7.238 1.00 35.35 O ATOM 905 CB LYS A 60 4.913 12.846 -7.611 1.00 63.24 C ATOM 906 CG LYS A 60 4.047 14.140 -7.632 1.00 71.13 C ATOM 907 CD LYS A 60 2.647 13.966 -8.305 1.00 62.22 C ATOM 908 CE LYS A 60 1.568 13.347 -7.394 1.00 53.54 C ATOM 909 NZ LYS A 60 0.305 13.093 -8.137 1.00 63.54 N ATOM 0 H LYS A 60 5.136 13.315 -5.197 1.00 33.23 H new ATOM 0 HA LYS A 60 3.480 11.552 -6.597 1.00 74.04 H new ATOM 0 HB2 LYS A 60 5.955 13.132 -7.469 1.00 63.24 H new ATOM 0 HB3 LYS A 60 4.844 12.371 -8.589 1.00 63.24 H new ATOM 0 HG2 LYS A 60 3.904 14.484 -6.608 1.00 71.13 H new ATOM 0 HG3 LYS A 60 4.595 14.922 -8.158 1.00 71.13 H new ATOM 0 HD2 LYS A 60 2.299 14.941 -8.647 1.00 62.22 H new ATOM 0 HD3 LYS A 60 2.759 13.340 -9.190 1.00 62.22 H new ATOM 0 HE2 LYS A 60 1.938 12.412 -6.974 1.00 53.54 H new ATOM 0 HE3 LYS A 60 1.370 14.016 -6.557 1.00 53.54 H new ATOM 0 HZ1 LYS A 60 -0.387 12.646 -7.503 1.00 63.54 H new ATOM 0 HZ2 LYS A 60 -0.079 13.994 -8.488 1.00 63.54 H new ATOM 0 HZ3 LYS A 60 0.496 12.462 -8.941 1.00 63.54 H new ATOM 923 N ASN A 61 6.619 10.498 -6.373 1.00 71.20 N ATOM 924 CA ASN A 61 7.519 9.336 -6.510 1.00 20.42 C ATOM 925 C ASN A 61 7.129 8.190 -5.534 1.00 50.20 C ATOM 926 O ASN A 61 7.171 7.017 -5.906 1.00 3.32 O ATOM 927 CB ASN A 61 8.983 9.791 -6.273 1.00 33.14 C ATOM 928 CG ASN A 61 10.018 8.679 -6.502 1.00 23.13 C ATOM 929 OD1 ASN A 61 10.515 8.488 -7.607 1.00 52.04 O ATOM 930 ND2 ASN A 61 10.358 7.943 -5.458 1.00 21.13 N ATOM 0 H ASN A 61 7.066 11.315 -5.958 1.00 71.20 H new ATOM 0 HA ASN A 61 7.423 8.939 -7.520 1.00 20.42 H new ATOM 0 HB2 ASN A 61 9.207 10.626 -6.937 1.00 33.14 H new ATOM 0 HB3 ASN A 61 9.079 10.160 -5.252 1.00 33.14 H new ATOM 0 HD21 ASN A 61 11.047 7.198 -5.562 1.00 21.13 H new ATOM 0 HD22 ASN A 61 9.931 8.120 -4.549 1.00 21.13 H new ATOM 937 N ARG A 62 6.740 8.551 -4.287 1.00 12.31 N ATOM 938 CA ARG A 62 6.363 7.557 -3.238 1.00 31.40 C ATOM 939 C ARG A 62 5.061 6.798 -3.607 1.00 34.24 C ATOM 940 O ARG A 62 4.910 5.622 -3.262 1.00 44.23 O ATOM 941 CB ARG A 62 6.199 8.229 -1.839 1.00 71.24 C ATOM 942 CG ARG A 62 7.414 9.050 -1.351 1.00 11.14 C ATOM 943 CD ARG A 62 8.726 8.253 -1.235 1.00 44.30 C ATOM 944 NE ARG A 62 9.879 9.160 -1.031 1.00 54.14 N ATOM 945 CZ ARG A 62 10.325 9.612 0.127 1.00 64.52 C ATOM 946 NH1 ARG A 62 9.797 9.232 1.252 1.00 11.44 N ATOM 947 NH2 ARG A 62 11.320 10.449 0.142 1.00 14.14 N ATOM 0 H ARG A 62 6.677 9.521 -3.978 1.00 12.31 H new ATOM 0 HA ARG A 62 7.181 6.839 -3.186 1.00 31.40 H new ATOM 0 HB2 ARG A 62 5.328 8.884 -1.869 1.00 71.24 H new ATOM 0 HB3 ARG A 62 5.988 7.452 -1.104 1.00 71.24 H new ATOM 0 HG2 ARG A 62 7.571 9.883 -2.036 1.00 11.14 H new ATOM 0 HG3 ARG A 62 7.178 9.478 -0.377 1.00 11.14 H new ATOM 0 HD2 ARG A 62 8.658 7.552 -0.403 1.00 44.30 H new ATOM 0 HD3 ARG A 62 8.878 7.662 -2.138 1.00 44.30 H new ATOM 0 HE ARG A 62 10.377 9.465 -1.867 1.00 54.14 H new ATOM 0 HH11 ARG A 62 9.021 8.570 1.253 1.00 11.44 H new ATOM 0 HH12 ARG A 62 10.159 9.595 2.134 1.00 11.44 H new ATOM 0 HH21 ARG A 62 11.747 10.749 -0.734 1.00 14.14 H new ATOM 0 HH22 ARG A 62 11.673 10.805 1.030 1.00 14.14 H new ATOM 961 N VAL A 63 4.126 7.494 -4.289 1.00 15.34 N ATOM 962 CA VAL A 63 2.879 6.883 -4.811 1.00 15.52 C ATOM 963 C VAL A 63 3.200 5.816 -5.888 1.00 12.04 C ATOM 964 O VAL A 63 2.700 4.690 -5.809 1.00 41.53 O ATOM 965 CB VAL A 63 1.888 7.974 -5.388 1.00 63.11 C ATOM 966 CG1 VAL A 63 0.639 7.342 -6.059 1.00 51.43 C ATOM 967 CG2 VAL A 63 1.457 8.963 -4.278 1.00 41.01 C ATOM 0 H VAL A 63 4.211 8.490 -4.494 1.00 15.34 H new ATOM 0 HA VAL A 63 2.380 6.395 -3.974 1.00 15.52 H new ATOM 0 HB VAL A 63 2.432 8.518 -6.160 1.00 63.11 H new ATOM 0 HG11 VAL A 63 -0.009 8.132 -6.438 1.00 51.43 H new ATOM 0 HG12 VAL A 63 0.953 6.703 -6.884 1.00 51.43 H new ATOM 0 HG13 VAL A 63 0.094 6.747 -5.326 1.00 51.43 H new ATOM 0 HG21 VAL A 63 0.776 9.705 -4.696 1.00 41.01 H new ATOM 0 HG22 VAL A 63 0.954 8.417 -3.480 1.00 41.01 H new ATOM 0 HG23 VAL A 63 2.337 9.465 -3.876 1.00 41.01 H new ATOM 977 N ARG A 64 4.062 6.175 -6.869 1.00 71.32 N ATOM 978 CA ARG A 64 4.511 5.231 -7.932 1.00 43.23 C ATOM 979 C ARG A 64 5.204 3.986 -7.321 1.00 61.03 C ATOM 980 O ARG A 64 4.945 2.855 -7.733 1.00 31.12 O ATOM 981 CB ARG A 64 5.506 5.907 -8.916 1.00 73.50 C ATOM 982 CG ARG A 64 5.043 7.228 -9.562 1.00 65.25 C ATOM 983 CD ARG A 64 6.078 7.759 -10.580 1.00 44.32 C ATOM 984 NE ARG A 64 7.452 7.736 -10.029 1.00 50.22 N ATOM 985 CZ ARG A 64 8.560 7.637 -10.736 1.00 72.51 C ATOM 986 NH1 ARG A 64 8.545 7.670 -12.028 1.00 11.34 N ATOM 987 NH2 ARG A 64 9.694 7.507 -10.134 1.00 13.14 N ATOM 0 H ARG A 64 4.463 7.110 -6.950 1.00 71.32 H new ATOM 0 HA ARG A 64 3.614 4.929 -8.473 1.00 43.23 H new ATOM 0 HB2 ARG A 64 6.438 6.096 -8.383 1.00 73.50 H new ATOM 0 HB3 ARG A 64 5.733 5.198 -9.713 1.00 73.50 H new ATOM 0 HG2 ARG A 64 4.087 7.073 -10.062 1.00 65.25 H new ATOM 0 HG3 ARG A 64 4.879 7.975 -8.786 1.00 65.25 H new ATOM 0 HD2 ARG A 64 6.040 7.155 -11.486 1.00 44.32 H new ATOM 0 HD3 ARG A 64 5.818 8.778 -10.865 1.00 44.32 H new ATOM 0 HE ARG A 64 7.549 7.802 -9.016 1.00 50.22 H new ATOM 0 HH11 ARG A 64 7.661 7.775 -12.525 1.00 11.34 H new ATOM 0 HH12 ARG A 64 9.418 7.591 -12.550 1.00 11.34 H new ATOM 0 HH21 ARG A 64 9.730 7.481 -9.115 1.00 13.14 H new ATOM 0 HH22 ARG A 64 10.554 7.430 -10.677 1.00 13.14 H new ATOM 1001 N SER A 65 6.097 4.242 -6.342 1.00 65.03 N ATOM 1002 CA SER A 65 6.849 3.195 -5.614 1.00 13.20 C ATOM 1003 C SER A 65 5.906 2.262 -4.815 1.00 52.43 C ATOM 1004 O SER A 65 6.130 1.051 -4.753 1.00 74.32 O ATOM 1005 CB SER A 65 7.873 3.842 -4.645 1.00 24.45 C ATOM 1006 OG SER A 65 8.802 4.665 -5.334 1.00 42.12 O ATOM 0 H SER A 65 6.319 5.188 -6.031 1.00 65.03 H new ATOM 0 HA SER A 65 7.373 2.596 -6.359 1.00 13.20 H new ATOM 0 HB2 SER A 65 7.344 4.436 -3.900 1.00 24.45 H new ATOM 0 HB3 SER A 65 8.409 3.060 -4.107 1.00 24.45 H new ATOM 0 HG SER A 65 8.363 5.499 -5.603 1.00 42.12 H new ATOM 1012 N ARG A 66 4.850 2.849 -4.212 1.00 21.01 N ATOM 1013 CA ARG A 66 3.879 2.094 -3.390 1.00 11.23 C ATOM 1014 C ARG A 66 3.051 1.132 -4.269 1.00 13.12 C ATOM 1015 O ARG A 66 2.995 -0.072 -3.997 1.00 3.41 O ATOM 1016 CB ARG A 66 2.942 3.059 -2.607 1.00 75.34 C ATOM 1017 CG ARG A 66 2.119 2.401 -1.463 1.00 53.21 C ATOM 1018 CD ARG A 66 2.956 2.093 -0.198 1.00 31.30 C ATOM 1019 NE ARG A 66 4.074 1.146 -0.444 1.00 1.21 N ATOM 1020 CZ ARG A 66 5.329 1.311 -0.055 1.00 74.43 C ATOM 1021 NH1 ARG A 66 5.691 2.348 0.639 1.00 20.15 N ATOM 1022 NH2 ARG A 66 6.218 0.424 -0.361 1.00 63.03 N ATOM 0 H ARG A 66 4.648 3.846 -4.279 1.00 21.01 H new ATOM 0 HA ARG A 66 4.440 1.503 -2.666 1.00 11.23 H new ATOM 0 HB2 ARG A 66 3.546 3.861 -2.183 1.00 75.34 H new ATOM 0 HB3 ARG A 66 2.250 3.519 -3.312 1.00 75.34 H new ATOM 0 HG2 ARG A 66 1.296 3.062 -1.192 1.00 53.21 H new ATOM 0 HG3 ARG A 66 1.677 1.475 -1.831 1.00 53.21 H new ATOM 0 HD2 ARG A 66 3.360 3.025 0.197 1.00 31.30 H new ATOM 0 HD3 ARG A 66 2.302 1.679 0.569 1.00 31.30 H new ATOM 0 HE ARG A 66 3.855 0.293 -0.958 1.00 1.21 H new ATOM 0 HH11 ARG A 66 5.003 3.056 0.895 1.00 20.15 H new ATOM 0 HH12 ARG A 66 6.663 2.454 0.928 1.00 20.15 H new ATOM 0 HH21 ARG A 66 5.952 -0.400 -0.900 1.00 63.03 H new ATOM 0 HH22 ARG A 66 7.186 0.548 -0.063 1.00 63.03 H new ATOM 1036 N ILE A 67 2.445 1.689 -5.335 1.00 50.41 N ATOM 1037 CA ILE A 67 1.689 0.931 -6.364 1.00 61.23 C ATOM 1038 C ILE A 67 2.553 -0.201 -6.982 1.00 34.13 C ATOM 1039 O ILE A 67 2.083 -1.329 -7.158 1.00 32.23 O ATOM 1040 CB ILE A 67 1.190 1.907 -7.508 1.00 70.21 C ATOM 1041 CG1 ILE A 67 0.225 2.990 -6.923 1.00 1.14 C ATOM 1042 CG2 ILE A 67 0.516 1.153 -8.688 1.00 32.24 C ATOM 1043 CD1 ILE A 67 -0.151 4.103 -7.891 1.00 21.42 C ATOM 0 H ILE A 67 2.464 2.693 -5.513 1.00 50.41 H new ATOM 0 HA ILE A 67 0.828 0.476 -5.874 1.00 61.23 H new ATOM 0 HB ILE A 67 2.075 2.398 -7.913 1.00 70.21 H new ATOM 0 HG12 ILE A 67 -0.687 2.498 -6.585 1.00 1.14 H new ATOM 0 HG13 ILE A 67 0.692 3.435 -6.044 1.00 1.14 H new ATOM 0 HG21 ILE A 67 0.194 1.871 -9.442 1.00 32.24 H new ATOM 0 HG22 ILE A 67 1.229 0.458 -9.130 1.00 32.24 H new ATOM 0 HG23 ILE A 67 -0.349 0.601 -8.320 1.00 32.24 H new ATOM 0 HD11 ILE A 67 -0.822 4.805 -7.396 1.00 21.42 H new ATOM 0 HD12 ILE A 67 0.750 4.627 -8.211 1.00 21.42 H new ATOM 0 HD13 ILE A 67 -0.651 3.676 -8.760 1.00 21.42 H new ATOM 1055 N SER A 68 3.826 0.136 -7.283 1.00 41.50 N ATOM 1056 CA SER A 68 4.827 -0.811 -7.839 1.00 43.51 C ATOM 1057 C SER A 68 5.034 -2.033 -6.922 1.00 32.41 C ATOM 1058 O SER A 68 4.968 -3.167 -7.385 1.00 52.54 O ATOM 1059 CB SER A 68 6.182 -0.096 -8.060 1.00 72.10 C ATOM 1060 OG SER A 68 7.165 -0.971 -8.602 1.00 61.44 O ATOM 0 H SER A 68 4.194 1.078 -7.148 1.00 41.50 H new ATOM 0 HA SER A 68 4.439 -1.165 -8.794 1.00 43.51 H new ATOM 0 HB2 SER A 68 6.040 0.750 -8.732 1.00 72.10 H new ATOM 0 HB3 SER A 68 6.538 0.306 -7.112 1.00 72.10 H new ATOM 0 HG SER A 68 8.005 -0.482 -8.728 1.00 61.44 H new ATOM 1066 N ASN A 69 5.261 -1.775 -5.620 1.00 24.54 N ATOM 1067 CA ASN A 69 5.481 -2.836 -4.609 1.00 44.42 C ATOM 1068 C ASN A 69 4.206 -3.681 -4.359 1.00 34.13 C ATOM 1069 O ASN A 69 4.295 -4.876 -4.053 1.00 22.13 O ATOM 1070 CB ASN A 69 5.993 -2.223 -3.280 1.00 34.21 C ATOM 1071 CG ASN A 69 7.350 -1.506 -3.393 1.00 73.42 C ATOM 1072 OD1 ASN A 69 7.627 -0.568 -2.655 1.00 52.43 O ATOM 1073 ND2 ASN A 69 8.218 -1.945 -4.293 1.00 2.04 N ATOM 0 H ASN A 69 5.298 -0.830 -5.237 1.00 24.54 H new ATOM 0 HA ASN A 69 6.241 -3.508 -5.008 1.00 44.42 H new ATOM 0 HB2 ASN A 69 5.251 -1.515 -2.911 1.00 34.21 H new ATOM 0 HB3 ASN A 69 6.075 -3.015 -2.536 1.00 34.21 H new ATOM 0 HD21 ASN A 69 9.132 -1.501 -4.379 1.00 2.04 H new ATOM 0 HD22 ASN A 69 7.972 -2.727 -4.900 1.00 2.04 H new ATOM 1080 N LEU A 70 3.023 -3.046 -4.488 1.00 1.01 N ATOM 1081 CA LEU A 70 1.717 -3.734 -4.346 1.00 44.22 C ATOM 1082 C LEU A 70 1.493 -4.771 -5.481 1.00 31.42 C ATOM 1083 O LEU A 70 1.010 -5.871 -5.230 1.00 52.21 O ATOM 1084 CB LEU A 70 0.563 -2.688 -4.298 1.00 53.04 C ATOM 1085 CG LEU A 70 0.518 -1.792 -3.011 1.00 51.01 C ATOM 1086 CD1 LEU A 70 -0.500 -0.633 -3.139 1.00 31.24 C ATOM 1087 CD2 LEU A 70 0.227 -2.643 -1.757 1.00 51.25 C ATOM 0 H LEU A 70 2.943 -2.050 -4.692 1.00 1.01 H new ATOM 0 HA LEU A 70 1.722 -4.286 -3.406 1.00 44.22 H new ATOM 0 HB2 LEU A 70 0.648 -2.038 -5.169 1.00 53.04 H new ATOM 0 HB3 LEU A 70 -0.387 -3.216 -4.386 1.00 53.04 H new ATOM 0 HG LEU A 70 1.504 -1.341 -2.902 1.00 51.01 H new ATOM 0 HD11 LEU A 70 -0.495 -0.041 -2.224 1.00 31.24 H new ATOM 0 HD12 LEU A 70 -0.226 0.001 -3.982 1.00 31.24 H new ATOM 0 HD13 LEU A 70 -1.498 -1.041 -3.301 1.00 31.24 H new ATOM 0 HD21 LEU A 70 0.201 -1.999 -0.878 1.00 51.25 H new ATOM 0 HD22 LEU A 70 -0.736 -3.141 -1.871 1.00 51.25 H new ATOM 0 HD23 LEU A 70 1.010 -3.391 -1.635 1.00 51.25 H new ATOM 1099 N LYS A 71 1.874 -4.415 -6.722 1.00 62.14 N ATOM 1100 CA LYS A 71 1.743 -5.310 -7.911 1.00 75.15 C ATOM 1101 C LYS A 71 3.104 -5.960 -8.309 1.00 50.14 C ATOM 1102 O LYS A 71 3.215 -6.542 -9.396 1.00 50.42 O ATOM 1103 CB LYS A 71 1.147 -4.515 -9.114 1.00 43.11 C ATOM 1104 CG LYS A 71 2.050 -3.377 -9.651 1.00 44.21 C ATOM 1105 CD LYS A 71 1.443 -2.633 -10.867 1.00 63.44 C ATOM 1106 CE LYS A 71 0.081 -1.987 -10.562 1.00 2.24 C ATOM 1107 NZ LYS A 71 -0.429 -1.196 -11.711 1.00 12.20 N ATOM 0 H LYS A 71 2.281 -3.505 -6.939 1.00 62.14 H new ATOM 0 HA LYS A 71 1.066 -6.120 -7.641 1.00 75.15 H new ATOM 0 HB2 LYS A 71 0.943 -5.212 -9.927 1.00 43.11 H new ATOM 0 HB3 LYS A 71 0.190 -4.089 -8.812 1.00 43.11 H new ATOM 0 HG2 LYS A 71 2.234 -2.660 -8.851 1.00 44.21 H new ATOM 0 HG3 LYS A 71 3.017 -3.793 -9.934 1.00 44.21 H new ATOM 0 HD2 LYS A 71 2.138 -1.861 -11.197 1.00 63.44 H new ATOM 0 HD3 LYS A 71 1.329 -3.334 -11.694 1.00 63.44 H new ATOM 0 HE2 LYS A 71 -0.640 -2.764 -10.308 1.00 2.24 H new ATOM 0 HE3 LYS A 71 0.174 -1.341 -9.689 1.00 2.24 H new ATOM 0 HZ1 LYS A 71 -1.349 -0.778 -11.464 1.00 12.20 H new ATOM 0 HZ2 LYS A 71 0.246 -0.438 -11.938 1.00 12.20 H new ATOM 0 HZ3 LYS A 71 -0.542 -1.817 -12.537 1.00 12.20 H new ATOM 1121 N ASP A 72 4.107 -5.904 -7.405 1.00 74.25 N ATOM 1122 CA ASP A 72 5.499 -6.345 -7.690 1.00 61.13 C ATOM 1123 C ASP A 72 5.596 -7.868 -7.956 1.00 42.54 C ATOM 1124 O ASP A 72 4.929 -8.666 -7.301 1.00 22.22 O ATOM 1125 CB ASP A 72 6.428 -5.941 -6.516 1.00 62.14 C ATOM 1126 CG ASP A 72 7.922 -6.082 -6.849 1.00 30.11 C ATOM 1127 OD1 ASP A 72 8.406 -5.339 -7.730 1.00 52.25 O ATOM 1128 OD2 ASP A 72 8.610 -6.930 -6.250 1.00 34.23 O ATOM 0 H ASP A 72 3.979 -5.553 -6.456 1.00 74.25 H new ATOM 0 HA ASP A 72 5.821 -5.844 -8.603 1.00 61.13 H new ATOM 0 HB2 ASP A 72 6.221 -4.908 -6.236 1.00 62.14 H new ATOM 0 HB3 ASP A 72 6.196 -6.559 -5.649 1.00 62.14 H new ATOM 1133 N ALA A 73 6.448 -8.247 -8.927 1.00 73.44 N ATOM 1134 CA ALA A 73 6.635 -9.657 -9.345 1.00 10.24 C ATOM 1135 C ALA A 73 7.716 -10.384 -8.502 1.00 21.22 C ATOM 1136 O ALA A 73 7.749 -11.621 -8.466 1.00 33.54 O ATOM 1137 CB ALA A 73 6.975 -9.713 -10.845 1.00 55.55 C ATOM 0 H ALA A 73 7.028 -7.588 -9.446 1.00 73.44 H new ATOM 0 HA ALA A 73 5.698 -10.185 -9.168 1.00 10.24 H new ATOM 0 HB1 ALA A 73 7.112 -10.751 -11.149 1.00 55.55 H new ATOM 0 HB2 ALA A 73 6.161 -9.271 -11.419 1.00 55.55 H new ATOM 0 HB3 ALA A 73 7.894 -9.157 -11.031 1.00 55.55 H new ATOM 1143 N LYS A 74 8.595 -9.611 -7.823 1.00 62.42 N ATOM 1144 CA LYS A 74 9.671 -10.171 -6.966 1.00 40.25 C ATOM 1145 C LYS A 74 9.179 -10.389 -5.516 1.00 24.30 C ATOM 1146 O LYS A 74 9.753 -11.198 -4.783 1.00 64.21 O ATOM 1147 CB LYS A 74 10.942 -9.268 -6.969 1.00 23.04 C ATOM 1148 CG LYS A 74 11.718 -9.214 -8.316 1.00 23.40 C ATOM 1149 CD LYS A 74 11.044 -8.345 -9.401 1.00 14.31 C ATOM 1150 CE LYS A 74 11.044 -6.847 -9.046 1.00 12.45 C ATOM 1151 NZ LYS A 74 10.327 -6.038 -10.062 1.00 11.52 N ATOM 0 H LYS A 74 8.581 -8.591 -7.851 1.00 62.42 H new ATOM 0 HA LYS A 74 9.941 -11.138 -7.391 1.00 40.25 H new ATOM 0 HB2 LYS A 74 10.647 -8.254 -6.698 1.00 23.04 H new ATOM 0 HB3 LYS A 74 11.620 -9.621 -6.192 1.00 23.04 H new ATOM 0 HG2 LYS A 74 12.721 -8.829 -8.130 1.00 23.40 H new ATOM 0 HG3 LYS A 74 11.832 -10.229 -8.698 1.00 23.40 H new ATOM 0 HD2 LYS A 74 11.561 -8.490 -10.350 1.00 14.31 H new ATOM 0 HD3 LYS A 74 10.017 -8.681 -9.543 1.00 14.31 H new ATOM 0 HE2 LYS A 74 10.576 -6.705 -8.072 1.00 12.45 H new ATOM 0 HE3 LYS A 74 12.072 -6.494 -8.960 1.00 12.45 H new ATOM 0 HZ1 LYS A 74 10.965 -5.307 -10.437 1.00 11.52 H new ATOM 0 HZ2 LYS A 74 10.013 -6.655 -10.838 1.00 11.52 H new ATOM 0 HZ3 LYS A 74 9.500 -5.584 -9.624 1.00 11.52 H new ATOM 1165 N ASN A 75 8.129 -9.653 -5.111 1.00 52.03 N ATOM 1166 CA ASN A 75 7.473 -9.828 -3.795 1.00 61.01 C ATOM 1167 C ASN A 75 5.928 -9.599 -3.942 1.00 65.34 C ATOM 1168 O ASN A 75 5.398 -8.554 -3.534 1.00 34.13 O ATOM 1169 CB ASN A 75 8.128 -8.878 -2.748 1.00 63.31 C ATOM 1170 CG ASN A 75 7.760 -9.229 -1.306 1.00 45.12 C ATOM 1171 OD1 ASN A 75 6.679 -8.671 -0.801 1.00 21.02 O flip ATOM 1172 ND2 ASN A 75 8.448 -10.004 -0.651 1.00 3.21 N flip ATOM 0 H ASN A 75 7.709 -8.920 -5.683 1.00 52.03 H new ATOM 0 HA ASN A 75 7.615 -10.846 -3.433 1.00 61.01 H new ATOM 0 HB2 ASN A 75 9.212 -8.916 -2.860 1.00 63.31 H new ATOM 0 HB3 ASN A 75 7.822 -7.853 -2.955 1.00 63.31 H new ATOM 0 HD21 ASN A 75 9.280 -10.423 -1.066 1.00 3.21 H new ATOM 0 HD22 ASN A 75 8.188 -10.230 0.309 1.00 3.21 H new ATOM 1179 N PRO A 76 5.186 -10.582 -4.573 1.00 3.21 N ATOM 1180 CA PRO A 76 3.733 -10.436 -4.912 1.00 72.22 C ATOM 1181 C PRO A 76 2.780 -10.595 -3.701 1.00 12.44 C ATOM 1182 O PRO A 76 1.664 -10.048 -3.695 1.00 2.04 O ATOM 1183 CB PRO A 76 3.497 -11.565 -5.976 1.00 72.42 C ATOM 1184 CG PRO A 76 4.855 -12.166 -6.248 1.00 31.12 C ATOM 1185 CD PRO A 76 5.686 -11.906 -5.016 1.00 61.23 C ATOM 0 HA PRO A 76 3.511 -9.432 -5.272 1.00 72.22 H new ATOM 0 HB2 PRO A 76 2.805 -12.318 -5.600 1.00 72.42 H new ATOM 0 HB3 PRO A 76 3.060 -11.158 -6.888 1.00 72.42 H new ATOM 0 HG2 PRO A 76 4.775 -13.235 -6.445 1.00 31.12 H new ATOM 0 HG3 PRO A 76 5.312 -11.713 -7.128 1.00 31.12 H new ATOM 0 HD2 PRO A 76 5.537 -12.672 -4.255 1.00 61.23 H new ATOM 0 HD3 PRO A 76 6.752 -11.884 -5.242 1.00 61.23 H new ATOM 1193 N ASP A 77 3.237 -11.345 -2.686 1.00 22.43 N ATOM 1194 CA ASP A 77 2.454 -11.658 -1.467 1.00 52.55 C ATOM 1195 C ASP A 77 2.158 -10.413 -0.596 1.00 32.14 C ATOM 1196 O ASP A 77 1.239 -10.448 0.225 1.00 4.30 O ATOM 1197 CB ASP A 77 3.203 -12.718 -0.630 1.00 44.44 C ATOM 1198 CG ASP A 77 4.530 -12.209 -0.034 1.00 71.23 C ATOM 1199 OD1 ASP A 77 5.453 -11.860 -0.805 1.00 42.53 O ATOM 1200 OD2 ASP A 77 4.660 -12.165 1.209 1.00 44.33 O ATOM 0 H ASP A 77 4.170 -11.758 -2.683 1.00 22.43 H new ATOM 0 HA ASP A 77 1.490 -12.044 -1.798 1.00 52.55 H new ATOM 0 HB2 ASP A 77 2.555 -13.053 0.180 1.00 44.44 H new ATOM 0 HB3 ASP A 77 3.405 -13.587 -1.256 1.00 44.44 H new ATOM 1205 N LEU A 78 2.927 -9.322 -0.814 1.00 53.01 N ATOM 1206 CA LEU A 78 2.855 -8.074 -0.015 1.00 1.25 C ATOM 1207 C LEU A 78 1.415 -7.516 0.088 1.00 11.14 C ATOM 1208 O LEU A 78 0.905 -7.252 1.186 1.00 32.33 O ATOM 1209 CB LEU A 78 3.740 -6.984 -0.672 1.00 41.11 C ATOM 1210 CG LEU A 78 3.844 -5.649 0.131 1.00 30.32 C ATOM 1211 CD1 LEU A 78 4.755 -5.812 1.365 1.00 61.30 C ATOM 1212 CD2 LEU A 78 4.288 -4.475 -0.763 1.00 20.34 C ATOM 0 H LEU A 78 3.624 -9.281 -1.558 1.00 53.01 H new ATOM 0 HA LEU A 78 3.203 -8.323 0.988 1.00 1.25 H new ATOM 0 HB2 LEU A 78 4.743 -7.386 -0.811 1.00 41.11 H new ATOM 0 HB3 LEU A 78 3.344 -6.765 -1.664 1.00 41.11 H new ATOM 0 HG LEU A 78 2.845 -5.404 0.493 1.00 30.32 H new ATOM 0 HD11 LEU A 78 4.809 -4.867 1.905 1.00 61.30 H new ATOM 0 HD12 LEU A 78 4.346 -6.581 2.020 1.00 61.30 H new ATOM 0 HD13 LEU A 78 5.755 -6.103 1.043 1.00 61.30 H new ATOM 0 HD21 LEU A 78 4.348 -3.565 -0.166 1.00 20.34 H new ATOM 0 HD22 LEU A 78 5.267 -4.693 -1.191 1.00 20.34 H new ATOM 0 HD23 LEU A 78 3.564 -4.335 -1.566 1.00 20.34 H new ATOM 1224 N ARG A 79 0.789 -7.358 -1.087 1.00 3.24 N ATOM 1225 CA ARG A 79 -0.576 -6.816 -1.239 1.00 41.23 C ATOM 1226 C ARG A 79 -1.607 -7.666 -0.458 1.00 73.22 C ATOM 1227 O ARG A 79 -2.476 -7.135 0.234 1.00 21.40 O ATOM 1228 CB ARG A 79 -0.916 -6.784 -2.752 1.00 55.13 C ATOM 1229 CG ARG A 79 -2.175 -5.981 -3.136 1.00 12.13 C ATOM 1230 CD ARG A 79 -2.368 -5.883 -4.664 1.00 0.13 C ATOM 1231 NE ARG A 79 -2.771 -7.164 -5.271 1.00 4.43 N ATOM 1232 CZ ARG A 79 -2.073 -7.898 -6.116 1.00 54.34 C ATOM 1233 NH1 ARG A 79 -0.851 -7.612 -6.419 1.00 33.21 N ATOM 1234 NH2 ARG A 79 -2.621 -8.942 -6.644 1.00 33.52 N ATOM 0 H ARG A 79 1.222 -7.607 -1.976 1.00 3.24 H new ATOM 0 HA ARG A 79 -0.620 -5.809 -0.825 1.00 41.23 H new ATOM 0 HB2 ARG A 79 -0.064 -6.367 -3.289 1.00 55.13 H new ATOM 0 HB3 ARG A 79 -1.041 -7.809 -3.100 1.00 55.13 H new ATOM 0 HG2 ARG A 79 -3.052 -6.451 -2.691 1.00 12.13 H new ATOM 0 HG3 ARG A 79 -2.104 -4.977 -2.716 1.00 12.13 H new ATOM 0 HD2 ARG A 79 -3.124 -5.129 -4.883 1.00 0.13 H new ATOM 0 HD3 ARG A 79 -1.439 -5.545 -5.122 1.00 0.13 H new ATOM 0 HE ARG A 79 -3.690 -7.522 -5.009 1.00 4.43 H new ATOM 0 HH11 ARG A 79 -0.399 -6.799 -6.001 1.00 33.21 H new ATOM 0 HH12 ARG A 79 -0.338 -8.199 -7.076 1.00 33.21 H new ATOM 0 HH21 ARG A 79 -3.581 -9.189 -6.406 1.00 33.52 H new ATOM 0 HH22 ARG A 79 -2.093 -9.519 -7.299 1.00 33.52 H new ATOM 1248 N ARG A 80 -1.427 -8.994 -0.540 1.00 65.34 N ATOM 1249 CA ARG A 80 -2.302 -10.000 0.106 1.00 33.42 C ATOM 1250 C ARG A 80 -2.162 -9.980 1.655 1.00 73.25 C ATOM 1251 O ARG A 80 -3.132 -10.235 2.374 1.00 3.42 O ATOM 1252 CB ARG A 80 -1.959 -11.402 -0.470 1.00 13.43 C ATOM 1253 CG ARG A 80 -2.048 -11.470 -2.016 1.00 34.40 C ATOM 1254 CD ARG A 80 -1.508 -12.785 -2.612 1.00 12.11 C ATOM 1255 NE ARG A 80 -2.308 -13.968 -2.244 1.00 0.33 N ATOM 1256 CZ ARG A 80 -2.197 -15.164 -2.800 1.00 24.30 C ATOM 1257 NH1 ARG A 80 -1.346 -15.396 -3.755 1.00 72.43 N ATOM 1258 NH2 ARG A 80 -2.958 -16.126 -2.400 1.00 15.54 N ATOM 0 H ARG A 80 -0.658 -9.411 -1.065 1.00 65.34 H new ATOM 0 HA ARG A 80 -3.342 -9.757 -0.112 1.00 33.42 H new ATOM 0 HB2 ARG A 80 -0.952 -11.678 -0.159 1.00 13.43 H new ATOM 0 HB3 ARG A 80 -2.638 -12.139 -0.041 1.00 13.43 H new ATOM 0 HG2 ARG A 80 -3.088 -11.346 -2.317 1.00 34.40 H new ATOM 0 HG3 ARG A 80 -1.492 -10.634 -2.440 1.00 34.40 H new ATOM 0 HD2 ARG A 80 -1.480 -12.698 -3.698 1.00 12.11 H new ATOM 0 HD3 ARG A 80 -0.481 -12.932 -2.278 1.00 12.11 H new ATOM 0 HE ARG A 80 -3.001 -13.856 -1.504 1.00 0.33 H new ATOM 0 HH11 ARG A 80 -0.743 -14.647 -4.094 1.00 72.43 H new ATOM 0 HH12 ARG A 80 -1.282 -16.328 -4.166 1.00 72.43 H new ATOM 0 HH21 ARG A 80 -3.640 -15.962 -1.659 1.00 15.54 H new ATOM 0 HH22 ARG A 80 -2.878 -17.050 -2.824 1.00 15.54 H new ATOM 1272 N ASN A 81 -0.947 -9.664 2.151 1.00 13.41 N ATOM 1273 CA ASN A 81 -0.666 -9.533 3.606 1.00 51.41 C ATOM 1274 C ASN A 81 -1.343 -8.272 4.208 1.00 23.41 C ATOM 1275 O ASN A 81 -1.774 -8.284 5.365 1.00 21.32 O ATOM 1276 CB ASN A 81 0.861 -9.494 3.867 1.00 50.21 C ATOM 1277 CG ASN A 81 1.600 -10.739 3.372 1.00 14.53 C ATOM 1278 OD1 ASN A 81 1.055 -11.839 3.338 1.00 34.45 O ATOM 1279 ND2 ASN A 81 2.848 -10.577 2.978 1.00 14.42 N ATOM 0 H ASN A 81 -0.133 -9.492 1.561 1.00 13.41 H new ATOM 0 HA ASN A 81 -1.087 -10.409 4.099 1.00 51.41 H new ATOM 0 HB2 ASN A 81 1.282 -8.614 3.380 1.00 50.21 H new ATOM 0 HB3 ASN A 81 1.035 -9.380 4.937 1.00 50.21 H new ATOM 0 HD21 ASN A 81 3.382 -11.375 2.636 1.00 14.42 H new ATOM 0 HD22 ASN A 81 3.279 -9.653 3.016 1.00 14.42 H new ATOM 1286 N VAL A 82 -1.413 -7.187 3.411 1.00 4.03 N ATOM 1287 CA VAL A 82 -2.143 -5.950 3.787 1.00 25.35 C ATOM 1288 C VAL A 82 -3.674 -6.223 3.860 1.00 51.31 C ATOM 1289 O VAL A 82 -4.362 -5.763 4.783 1.00 54.32 O ATOM 1290 CB VAL A 82 -1.834 -4.772 2.777 1.00 40.40 C ATOM 1291 CG1 VAL A 82 -2.587 -3.468 3.153 1.00 0.43 C ATOM 1292 CG2 VAL A 82 -0.305 -4.520 2.675 1.00 15.42 C ATOM 0 H VAL A 82 -0.970 -7.139 2.494 1.00 4.03 H new ATOM 0 HA VAL A 82 -1.797 -5.642 4.774 1.00 25.35 H new ATOM 0 HB VAL A 82 -2.199 -5.082 1.798 1.00 40.40 H new ATOM 0 HG11 VAL A 82 -2.345 -2.687 2.432 1.00 0.43 H new ATOM 0 HG12 VAL A 82 -3.661 -3.652 3.141 1.00 0.43 H new ATOM 0 HG13 VAL A 82 -2.285 -3.148 4.150 1.00 0.43 H new ATOM 0 HG21 VAL A 82 -0.116 -3.706 1.975 1.00 15.42 H new ATOM 0 HG22 VAL A 82 0.086 -4.252 3.657 1.00 15.42 H new ATOM 0 HG23 VAL A 82 0.190 -5.424 2.322 1.00 15.42 H new ATOM 1302 N LEU A 83 -4.177 -7.010 2.886 1.00 53.55 N ATOM 1303 CA LEU A 83 -5.593 -7.470 2.846 1.00 54.52 C ATOM 1304 C LEU A 83 -5.943 -8.387 4.057 1.00 12.44 C ATOM 1305 O LEU A 83 -7.063 -8.353 4.574 1.00 3.03 O ATOM 1306 CB LEU A 83 -5.868 -8.228 1.518 1.00 63.34 C ATOM 1307 CG LEU A 83 -5.645 -7.433 0.191 1.00 24.44 C ATOM 1308 CD1 LEU A 83 -5.738 -8.365 -1.035 1.00 11.11 C ATOM 1309 CD2 LEU A 83 -6.627 -6.247 0.056 1.00 43.14 C ATOM 0 H LEU A 83 -3.618 -7.348 2.102 1.00 53.55 H new ATOM 0 HA LEU A 83 -6.226 -6.585 2.905 1.00 54.52 H new ATOM 0 HB2 LEU A 83 -5.232 -9.113 1.494 1.00 63.34 H new ATOM 0 HB3 LEU A 83 -6.900 -8.578 1.535 1.00 63.34 H new ATOM 0 HG LEU A 83 -4.638 -7.018 0.231 1.00 24.44 H new ATOM 0 HD11 LEU A 83 -5.579 -7.786 -1.945 1.00 11.11 H new ATOM 0 HD12 LEU A 83 -4.976 -9.141 -0.961 1.00 11.11 H new ATOM 0 HD13 LEU A 83 -6.725 -8.827 -1.067 1.00 11.11 H new ATOM 0 HD21 LEU A 83 -6.437 -5.722 -0.880 1.00 43.14 H new ATOM 0 HD22 LEU A 83 -7.651 -6.620 0.061 1.00 43.14 H new ATOM 0 HD23 LEU A 83 -6.486 -5.561 0.891 1.00 43.14 H new ATOM 1321 N CYS A 84 -4.967 -9.214 4.486 1.00 1.33 N ATOM 1322 CA CYS A 84 -5.118 -10.119 5.659 1.00 22.34 C ATOM 1323 C CYS A 84 -4.899 -9.383 7.007 1.00 13.24 C ATOM 1324 O CYS A 84 -5.223 -9.923 8.073 1.00 52.21 O ATOM 1325 CB CYS A 84 -4.136 -11.313 5.545 1.00 41.33 C ATOM 1326 SG CYS A 84 -4.513 -12.461 4.194 1.00 41.11 S ATOM 0 H CYS A 84 -4.054 -9.278 4.036 1.00 1.33 H new ATOM 0 HA CYS A 84 -6.145 -10.485 5.650 1.00 22.34 H new ATOM 0 HB2 CYS A 84 -3.126 -10.926 5.407 1.00 41.33 H new ATOM 0 HB3 CYS A 84 -4.140 -11.863 6.486 1.00 41.33 H new ATOM 0 HG CYS A 84 -3.935 -12.053 3.103 1.00 41.11 H new ATOM 1332 N GLY A 85 -4.340 -8.159 6.950 1.00 10.14 N ATOM 1333 CA GLY A 85 -4.080 -7.348 8.155 1.00 24.35 C ATOM 1334 C GLY A 85 -2.807 -7.743 8.912 1.00 40.30 C ATOM 1335 O GLY A 85 -2.644 -7.390 10.086 1.00 71.34 O ATOM 0 H GLY A 85 -4.059 -7.709 6.079 1.00 10.14 H new ATOM 0 HA2 GLY A 85 -4.007 -6.300 7.866 1.00 24.35 H new ATOM 0 HA3 GLY A 85 -4.932 -7.434 8.829 1.00 24.35 H new ATOM 1339 N ALA A 86 -1.919 -8.498 8.240 1.00 51.31 N ATOM 1340 CA ALA A 86 -0.583 -8.852 8.770 1.00 32.25 C ATOM 1341 C ALA A 86 0.332 -7.603 8.826 1.00 71.21 C ATOM 1342 O ALA A 86 1.112 -7.423 9.767 1.00 25.43 O ATOM 1343 CB ALA A 86 0.050 -9.950 7.900 1.00 24.50 C ATOM 0 H ALA A 86 -2.105 -8.882 7.313 1.00 51.31 H new ATOM 0 HA ALA A 86 -0.697 -9.231 9.786 1.00 32.25 H new ATOM 0 HB1 ALA A 86 1.033 -10.206 8.295 1.00 24.50 H new ATOM 0 HB2 ALA A 86 -0.587 -10.835 7.910 1.00 24.50 H new ATOM 0 HB3 ALA A 86 0.153 -9.589 6.877 1.00 24.50 H new ATOM 1349 N ILE A 87 0.214 -6.751 7.790 1.00 50.03 N ATOM 1350 CA ILE A 87 0.931 -5.460 7.699 1.00 21.44 C ATOM 1351 C ILE A 87 -0.040 -4.298 8.015 1.00 51.24 C ATOM 1352 O ILE A 87 -1.128 -4.222 7.427 1.00 23.32 O ATOM 1353 CB ILE A 87 1.546 -5.257 6.259 1.00 44.51 C ATOM 1354 CG1 ILE A 87 2.432 -6.486 5.871 1.00 12.13 C ATOM 1355 CG2 ILE A 87 2.359 -3.937 6.169 1.00 64.55 C ATOM 1356 CD1 ILE A 87 3.013 -6.441 4.470 1.00 71.50 C ATOM 0 H ILE A 87 -0.385 -6.938 6.986 1.00 50.03 H new ATOM 0 HA ILE A 87 1.744 -5.468 8.425 1.00 21.44 H new ATOM 0 HB ILE A 87 0.724 -5.181 5.548 1.00 44.51 H new ATOM 0 HG12 ILE A 87 3.251 -6.564 6.586 1.00 12.13 H new ATOM 0 HG13 ILE A 87 1.834 -7.392 5.971 1.00 12.13 H new ATOM 0 HG21 ILE A 87 2.768 -3.829 5.164 1.00 64.55 H new ATOM 0 HG22 ILE A 87 1.706 -3.092 6.388 1.00 64.55 H new ATOM 0 HG23 ILE A 87 3.174 -3.962 6.892 1.00 64.55 H new ATOM 0 HD11 ILE A 87 3.611 -7.335 4.295 1.00 71.50 H new ATOM 0 HD12 ILE A 87 2.203 -6.398 3.742 1.00 71.50 H new ATOM 0 HD13 ILE A 87 3.643 -5.557 4.365 1.00 71.50 H new ATOM 1368 N THR A 88 0.363 -3.399 8.936 1.00 43.21 N ATOM 1369 CA THR A 88 -0.450 -2.216 9.320 1.00 14.35 C ATOM 1370 C THR A 88 -0.333 -1.092 8.256 1.00 30.34 C ATOM 1371 O THR A 88 0.699 -1.007 7.572 1.00 12.11 O ATOM 1372 CB THR A 88 -0.012 -1.635 10.712 1.00 11.53 C ATOM 1373 OG1 THR A 88 1.295 -1.046 10.614 1.00 42.10 O ATOM 1374 CG2 THR A 88 -0.011 -2.713 11.814 1.00 22.35 C ATOM 0 H THR A 88 1.251 -3.467 9.433 1.00 43.21 H new ATOM 0 HA THR A 88 -1.483 -2.557 9.386 1.00 14.35 H new ATOM 0 HB THR A 88 -0.741 -0.874 10.989 1.00 11.53 H new ATOM 0 HG1 THR A 88 1.558 -0.685 11.487 1.00 42.10 H new ATOM 0 HG21 THR A 88 0.298 -2.267 12.759 1.00 22.35 H new ATOM 0 HG22 THR A 88 -1.014 -3.127 11.919 1.00 22.35 H new ATOM 0 HG23 THR A 88 0.684 -3.509 11.544 1.00 22.35 H new ATOM 1382 N PRO A 89 -1.388 -0.213 8.100 1.00 13.42 N ATOM 1383 CA PRO A 89 -1.342 0.978 7.195 1.00 42.03 C ATOM 1384 C PRO A 89 -0.096 1.881 7.393 1.00 15.25 C ATOM 1385 O PRO A 89 0.424 2.444 6.433 1.00 55.24 O ATOM 1386 CB PRO A 89 -2.637 1.737 7.562 1.00 44.43 C ATOM 1387 CG PRO A 89 -3.583 0.662 8.002 1.00 24.40 C ATOM 1388 CD PRO A 89 -2.729 -0.340 8.747 1.00 33.15 C ATOM 0 HA PRO A 89 -1.271 0.679 6.149 1.00 42.03 H new ATOM 0 HB2 PRO A 89 -2.462 2.462 8.357 1.00 44.43 H new ATOM 0 HB3 PRO A 89 -3.031 2.288 6.708 1.00 44.43 H new ATOM 0 HG2 PRO A 89 -4.366 1.066 8.644 1.00 24.40 H new ATOM 0 HG3 PRO A 89 -4.078 0.199 7.148 1.00 24.40 H new ATOM 0 HD2 PRO A 89 -2.683 -0.113 9.812 1.00 33.15 H new ATOM 0 HD3 PRO A 89 -3.125 -1.351 8.653 1.00 33.15 H new ATOM 1396 N GLN A 90 0.368 1.984 8.654 1.00 74.31 N ATOM 1397 CA GLN A 90 1.563 2.775 9.029 1.00 43.10 C ATOM 1398 C GLN A 90 2.865 2.149 8.452 1.00 2.54 C ATOM 1399 O GLN A 90 3.717 2.861 7.903 1.00 24.53 O ATOM 1400 CB GLN A 90 1.649 2.892 10.581 1.00 2.31 C ATOM 1401 CG GLN A 90 2.757 3.837 11.112 1.00 71.20 C ATOM 1402 CD GLN A 90 2.562 5.314 10.719 1.00 52.15 C ATOM 1403 OE1 GLN A 90 1.444 5.795 10.554 1.00 0.32 O ATOM 1404 NE2 GLN A 90 3.646 6.049 10.579 1.00 42.33 N ATOM 0 H GLN A 90 -0.076 1.520 9.447 1.00 74.31 H new ATOM 0 HA GLN A 90 1.464 3.772 8.599 1.00 43.10 H new ATOM 0 HB2 GLN A 90 0.687 3.240 10.957 1.00 2.31 H new ATOM 0 HB3 GLN A 90 1.813 1.897 10.996 1.00 2.31 H new ATOM 0 HG2 GLN A 90 2.794 3.763 12.199 1.00 71.20 H new ATOM 0 HG3 GLN A 90 3.722 3.496 10.736 1.00 71.20 H new ATOM 0 HE21 GLN A 90 4.566 5.632 10.720 1.00 42.33 H new ATOM 0 HE22 GLN A 90 3.565 7.035 10.330 1.00 42.33 H new ATOM 1413 N GLN A 91 2.991 0.806 8.581 1.00 0.33 N ATOM 1414 CA GLN A 91 4.163 0.043 8.077 1.00 50.15 C ATOM 1415 C GLN A 91 4.277 0.110 6.539 1.00 4.40 C ATOM 1416 O GLN A 91 5.314 0.527 6.008 1.00 54.32 O ATOM 1417 CB GLN A 91 4.092 -1.445 8.551 1.00 53.22 C ATOM 1418 CG GLN A 91 4.359 -1.673 10.066 1.00 23.23 C ATOM 1419 CD GLN A 91 5.847 -1.776 10.479 1.00 34.21 C ATOM 1420 OE1 GLN A 91 6.752 -1.115 9.778 1.00 50.20 O flip ATOM 1421 NE2 GLN A 91 6.176 -2.438 11.459 1.00 3.43 N flip ATOM 0 H GLN A 91 2.288 0.222 9.035 1.00 0.33 H new ATOM 0 HA GLN A 91 5.057 0.508 8.493 1.00 50.15 H new ATOM 0 HB2 GLN A 91 3.105 -1.839 8.309 1.00 53.22 H new ATOM 0 HB3 GLN A 91 4.816 -2.026 7.980 1.00 53.22 H new ATOM 0 HG2 GLN A 91 3.902 -0.855 10.623 1.00 23.23 H new ATOM 0 HG3 GLN A 91 3.852 -2.589 10.371 1.00 23.23 H new ATOM 0 HE21 GLN A 91 5.470 -2.944 11.993 1.00 3.43 H new ATOM 0 HE22 GLN A 91 7.156 -2.482 11.739 1.00 3.43 H new ATOM 1430 N ILE A 92 3.196 -0.286 5.838 1.00 2.50 N ATOM 1431 CA ILE A 92 3.170 -0.348 4.357 1.00 50.21 C ATOM 1432 C ILE A 92 3.338 1.056 3.705 1.00 32.14 C ATOM 1433 O ILE A 92 3.992 1.171 2.674 1.00 25.42 O ATOM 1434 CB ILE A 92 1.864 -1.064 3.823 1.00 2.41 C ATOM 1435 CG1 ILE A 92 1.869 -1.223 2.262 1.00 62.10 C ATOM 1436 CG2 ILE A 92 0.590 -0.341 4.296 1.00 4.24 C ATOM 1437 CD1 ILE A 92 3.021 -2.049 1.706 1.00 34.23 C ATOM 0 H ILE A 92 2.320 -0.571 6.276 1.00 2.50 H new ATOM 0 HA ILE A 92 4.028 -0.950 4.059 1.00 50.21 H new ATOM 0 HB ILE A 92 1.863 -2.067 4.251 1.00 2.41 H new ATOM 0 HG12 ILE A 92 0.930 -1.683 1.955 1.00 62.10 H new ATOM 0 HG13 ILE A 92 1.901 -0.231 1.810 1.00 62.10 H new ATOM 0 HG21 ILE A 92 -0.287 -0.860 3.910 1.00 4.24 H new ATOM 0 HG22 ILE A 92 0.558 -0.335 5.386 1.00 4.24 H new ATOM 0 HG23 ILE A 92 0.596 0.685 3.927 1.00 4.24 H new ATOM 0 HD11 ILE A 92 2.939 -2.103 0.620 1.00 34.23 H new ATOM 0 HD12 ILE A 92 3.968 -1.581 1.976 1.00 34.23 H new ATOM 0 HD13 ILE A 92 2.982 -3.055 2.123 1.00 34.23 H new ATOM 1449 N ALA A 93 2.793 2.114 4.345 1.00 12.34 N ATOM 1450 CA ALA A 93 2.855 3.503 3.815 1.00 50.14 C ATOM 1451 C ALA A 93 4.310 3.996 3.621 1.00 11.23 C ATOM 1452 O ALA A 93 4.681 4.484 2.545 1.00 3.51 O ATOM 1453 CB ALA A 93 2.105 4.451 4.763 1.00 23.21 C ATOM 0 H ALA A 93 2.301 2.036 5.235 1.00 12.34 H new ATOM 0 HA ALA A 93 2.381 3.501 2.834 1.00 50.14 H new ATOM 0 HB1 ALA A 93 2.152 5.468 4.373 1.00 23.21 H new ATOM 0 HB2 ALA A 93 1.063 4.139 4.840 1.00 23.21 H new ATOM 0 HB3 ALA A 93 2.567 4.419 5.750 1.00 23.21 H new ATOM 1459 N VAL A 94 5.137 3.807 4.661 1.00 52.01 N ATOM 1460 CA VAL A 94 6.544 4.276 4.683 1.00 51.12 C ATOM 1461 C VAL A 94 7.543 3.137 4.342 1.00 64.31 C ATOM 1462 O VAL A 94 8.764 3.330 4.442 1.00 34.33 O ATOM 1463 CB VAL A 94 6.888 4.908 6.086 1.00 44.41 C ATOM 1464 CG1 VAL A 94 5.968 6.120 6.388 1.00 11.50 C ATOM 1465 CG2 VAL A 94 6.817 3.848 7.220 1.00 15.30 C ATOM 0 H VAL A 94 4.855 3.325 5.514 1.00 52.01 H new ATOM 0 HA VAL A 94 6.647 5.039 3.912 1.00 51.12 H new ATOM 0 HB VAL A 94 7.915 5.270 6.044 1.00 44.41 H new ATOM 0 HG11 VAL A 94 6.225 6.538 7.361 1.00 11.50 H new ATOM 0 HG12 VAL A 94 6.104 6.880 5.619 1.00 11.50 H new ATOM 0 HG13 VAL A 94 4.928 5.794 6.396 1.00 11.50 H new ATOM 0 HG21 VAL A 94 7.060 4.318 8.173 1.00 15.30 H new ATOM 0 HG22 VAL A 94 5.811 3.432 7.267 1.00 15.30 H new ATOM 0 HG23 VAL A 94 7.531 3.050 7.017 1.00 15.30 H new ATOM 1475 N MET A 95 7.018 1.974 3.909 1.00 11.14 N ATOM 1476 CA MET A 95 7.840 0.787 3.584 1.00 51.22 C ATOM 1477 C MET A 95 8.793 1.052 2.387 1.00 4.10 C ATOM 1478 O MET A 95 8.363 1.525 1.329 1.00 33.30 O ATOM 1479 CB MET A 95 6.927 -0.430 3.286 1.00 75.53 C ATOM 1480 CG MET A 95 7.672 -1.727 2.945 1.00 72.02 C ATOM 1481 SD MET A 95 6.559 -3.116 2.651 1.00 14.41 S ATOM 1482 CE MET A 95 5.905 -3.423 4.291 1.00 65.21 C ATOM 0 H MET A 95 6.017 1.829 3.774 1.00 11.14 H new ATOM 0 HA MET A 95 8.460 0.568 4.453 1.00 51.22 H new ATOM 0 HB2 MET A 95 6.292 -0.610 4.153 1.00 75.53 H new ATOM 0 HB3 MET A 95 6.268 -0.177 2.455 1.00 75.53 H new ATOM 0 HG2 MET A 95 8.286 -1.566 2.059 1.00 72.02 H new ATOM 0 HG3 MET A 95 8.350 -1.977 3.761 1.00 72.02 H new ATOM 0 HE1 MET A 95 5.980 -4.486 4.520 1.00 65.21 H new ATOM 0 HE2 MET A 95 6.477 -2.853 5.023 1.00 65.21 H new ATOM 0 HE3 MET A 95 4.860 -3.117 4.329 1.00 65.21 H new ATOM 1492 N THR A 96 10.089 0.754 2.582 1.00 21.41 N ATOM 1493 CA THR A 96 11.129 0.928 1.537 1.00 54.32 C ATOM 1494 C THR A 96 11.266 -0.347 0.684 1.00 34.44 C ATOM 1495 O THR A 96 10.864 -1.420 1.114 1.00 24.12 O ATOM 1496 CB THR A 96 12.525 1.272 2.165 1.00 70.12 C ATOM 1497 OG1 THR A 96 13.054 0.133 2.878 1.00 42.42 O ATOM 1498 CG2 THR A 96 12.430 2.475 3.125 1.00 43.22 C ATOM 0 H THR A 96 10.450 0.387 3.462 1.00 21.41 H new ATOM 0 HA THR A 96 10.811 1.759 0.907 1.00 54.32 H new ATOM 0 HB THR A 96 13.195 1.533 1.345 1.00 70.12 H new ATOM 0 HG1 THR A 96 13.926 0.364 3.262 1.00 42.42 H new ATOM 0 HG21 THR A 96 13.415 2.686 3.542 1.00 43.22 H new ATOM 0 HG22 THR A 96 12.072 3.348 2.580 1.00 43.22 H new ATOM 0 HG23 THR A 96 11.736 2.242 3.933 1.00 43.22 H new ATOM 1506 N SER A 97 11.849 -0.212 -0.519 1.00 71.14 N ATOM 1507 CA SER A 97 12.094 -1.343 -1.460 1.00 71.42 C ATOM 1508 C SER A 97 12.988 -2.447 -0.839 1.00 15.12 C ATOM 1509 O SER A 97 12.776 -3.639 -1.081 1.00 55.22 O ATOM 1510 CB SER A 97 12.758 -0.807 -2.751 1.00 24.24 C ATOM 1511 OG SER A 97 13.994 -0.164 -2.467 1.00 71.04 O ATOM 0 H SER A 97 12.170 0.687 -0.878 1.00 71.14 H new ATOM 0 HA SER A 97 11.128 -1.794 -1.686 1.00 71.42 H new ATOM 0 HB2 SER A 97 12.925 -1.630 -3.446 1.00 24.24 H new ATOM 0 HB3 SER A 97 12.085 -0.105 -3.244 1.00 24.24 H new ATOM 0 HG SER A 97 14.392 0.163 -3.301 1.00 71.04 H new ATOM 1517 N GLU A 98 13.968 -2.020 -0.024 1.00 43.01 N ATOM 1518 CA GLU A 98 14.924 -2.914 0.671 1.00 42.35 C ATOM 1519 C GLU A 98 14.195 -3.788 1.728 1.00 24.03 C ATOM 1520 O GLU A 98 14.353 -5.015 1.767 1.00 11.13 O ATOM 1521 CB GLU A 98 16.016 -2.049 1.360 1.00 21.44 C ATOM 1522 CG GLU A 98 17.126 -2.848 2.082 1.00 64.43 C ATOM 1523 CD GLU A 98 18.068 -1.956 2.916 1.00 42.42 C ATOM 1524 OE1 GLU A 98 18.994 -1.343 2.338 1.00 5.23 O ATOM 1525 OE2 GLU A 98 17.869 -1.844 4.148 1.00 22.24 O ATOM 0 H GLU A 98 14.124 -1.032 0.176 1.00 43.01 H new ATOM 0 HA GLU A 98 15.383 -3.580 -0.059 1.00 42.35 H new ATOM 0 HB2 GLU A 98 16.480 -1.410 0.608 1.00 21.44 H new ATOM 0 HB3 GLU A 98 15.534 -1.391 2.083 1.00 21.44 H new ATOM 0 HG2 GLU A 98 16.666 -3.590 2.735 1.00 64.43 H new ATOM 0 HG3 GLU A 98 17.712 -3.394 1.343 1.00 64.43 H new ATOM 1532 N GLU A 99 13.401 -3.109 2.568 1.00 65.31 N ATOM 1533 CA GLU A 99 12.598 -3.718 3.654 1.00 44.33 C ATOM 1534 C GLU A 99 11.487 -4.655 3.099 1.00 62.42 C ATOM 1535 O GLU A 99 11.248 -5.749 3.627 1.00 40.23 O ATOM 1536 CB GLU A 99 11.990 -2.551 4.486 1.00 13.01 C ATOM 1537 CG GLU A 99 11.006 -2.947 5.607 1.00 65.41 C ATOM 1538 CD GLU A 99 10.433 -1.723 6.355 1.00 73.15 C ATOM 1539 OE1 GLU A 99 9.794 -0.869 5.702 1.00 32.30 O ATOM 1540 OE2 GLU A 99 10.647 -1.584 7.582 1.00 24.40 O ATOM 0 H GLU A 99 13.292 -2.096 2.515 1.00 65.31 H new ATOM 0 HA GLU A 99 13.232 -4.347 4.279 1.00 44.33 H new ATOM 0 HB2 GLU A 99 12.809 -1.988 4.934 1.00 13.01 H new ATOM 0 HB3 GLU A 99 11.475 -1.876 3.802 1.00 13.01 H new ATOM 0 HG2 GLU A 99 10.186 -3.523 5.178 1.00 65.41 H new ATOM 0 HG3 GLU A 99 11.515 -3.598 6.319 1.00 65.41 H new ATOM 1547 N MET A 100 10.847 -4.201 2.008 1.00 14.30 N ATOM 1548 CA MET A 100 9.719 -4.886 1.343 1.00 31.22 C ATOM 1549 C MET A 100 10.162 -6.220 0.695 1.00 45.03 C ATOM 1550 O MET A 100 9.597 -7.285 0.971 1.00 51.23 O ATOM 1551 CB MET A 100 9.148 -3.916 0.268 1.00 3.30 C ATOM 1552 CG MET A 100 7.810 -4.313 -0.360 1.00 64.00 C ATOM 1553 SD MET A 100 7.902 -5.715 -1.499 1.00 24.44 S ATOM 1554 CE MET A 100 8.895 -5.057 -2.845 1.00 33.13 C ATOM 0 H MET A 100 11.104 -3.326 1.551 1.00 14.30 H new ATOM 0 HA MET A 100 8.956 -5.137 2.080 1.00 31.22 H new ATOM 0 HB2 MET A 100 9.035 -2.931 0.721 1.00 3.30 H new ATOM 0 HB3 MET A 100 9.884 -3.817 -0.529 1.00 3.30 H new ATOM 0 HG2 MET A 100 7.107 -4.554 0.437 1.00 64.00 H new ATOM 0 HG3 MET A 100 7.404 -3.454 -0.894 1.00 64.00 H new ATOM 0 HE1 MET A 100 8.379 -5.220 -3.791 1.00 33.13 H new ATOM 0 HE2 MET A 100 9.049 -3.988 -2.695 1.00 33.13 H new ATOM 0 HE3 MET A 100 9.860 -5.563 -2.866 1.00 33.13 H new