USER MOD reduce.3.24.130724 H: found=0, std=0, add=712, rem=0, adj=22 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 65 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 69 ASN : amide:sc= -0.127 K(o=-0.85,f=-1.5) USER MOD Set 1.3: A 100 MET CE :methyl -166:sc= -0.727 (180deg=-0.868) USER MOD Set 2.1: A 90 GLN : amide:sc= 0.0367 X(o=-0.081,f=-0.13) USER MOD Set 2.2: A 91 GLN : amide:sc= -0.117 X(o=-0.081,f=-0.19) USER MOD Set 3.1: A 55 THR OG1 : rot -48:sc= 0.27 USER MOD Set 3.2: A 60 LYS NZ :NH3+ -148:sc= -0.272 (180deg=-0.339) USER MOD Set 4.1: A 25 GLN :FLIP amide:sc= -1.2 F(o=-4.5!,f=-2.4) USER MOD Set 4.2: A 30 HIS : no HE2:sc= -0.119 K(o=-2.4,f=-4.3) USER MOD Set 4.3: A 37 CYS SG : rot -164:sc= -1.03 USER MOD Set 5.1: A 21 THR OG1 : rot 64:sc= 2.07 USER MOD Set 5.2: A 41 SER OG : rot -163:sc= 1.02 USER MOD Set 6.1: A 16 CYS SG : rot -123:sc= -1.4 USER MOD Set 6.2: A 59 TYR OH : rot 97:sc= 1.06 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -139:sc= -0.47 (180deg=-1.15) USER MOD Single : A 26 THR OG1 : rot -140:sc= 0 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=-0.0089) USER MOD Single : A 43 GLN : amide:sc= 0.193 X(o=0.19,f=0) USER MOD Single : A 47 CYS SG : rot 81:sc= 0.315 USER MOD Single : A 54 ASN : amide:sc= -0.238 K(o=-0.24,f=-7.4!) USER MOD Single : A 57 MET CE :methyl 157:sc= -0.27 (180deg=-0.906) USER MOD Single : A 58 LYS NZ :NH3+ 161:sc= -0.0614 (180deg=-0.381) USER MOD Single : A 61 ASN : amide:sc= 0.0883 K(o=0.088,f=-1.7) USER MOD Single : A 68 SER OG : rot -79:sc= 0.149 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -0.274 K(o=-0.27,f=-3!) USER MOD Single : A 81 ASN : amide:sc= 0.74 K(o=0.74,f=-0.011) USER MOD Single : A 84 CYS SG : rot -23:sc= -2.35! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.271 USER MOD Single : A 95 MET CE :methyl 158:sc= -1.77! (180deg=-3.03) USER MOD Single : A 96 THR OG1 : rot 180:sc= -1.11 USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -8.794 17.053 -5.874 1.00 62.40 N ATOM 147 CA ALA A 11 -8.269 16.204 -6.968 1.00 23.25 C ATOM 148 C ALA A 11 -7.010 15.370 -6.602 1.00 3.04 C ATOM 149 O ALA A 11 -6.959 14.186 -6.924 1.00 11.14 O ATOM 150 CB ALA A 11 -7.993 17.081 -8.201 1.00 42.14 C ATOM 0 HA ALA A 11 -9.042 15.465 -7.178 1.00 23.25 H new ATOM 0 HB1 ALA A 11 -7.606 16.461 -9.010 1.00 42.14 H new ATOM 0 HB2 ALA A 11 -8.918 17.560 -8.522 1.00 42.14 H new ATOM 0 HB3 ALA A 11 -7.259 17.845 -7.947 1.00 42.14 H new ATOM 156 N VAL A 12 -6.016 15.981 -5.924 1.00 11.33 N ATOM 157 CA VAL A 12 -4.744 15.288 -5.559 1.00 64.14 C ATOM 158 C VAL A 12 -4.979 14.180 -4.494 1.00 23.33 C ATOM 159 O VAL A 12 -4.590 13.025 -4.687 1.00 14.51 O ATOM 160 CB VAL A 12 -3.661 16.314 -5.042 1.00 34.21 C ATOM 161 CG1 VAL A 12 -2.331 15.623 -4.652 1.00 71.14 C ATOM 162 CG2 VAL A 12 -3.408 17.425 -6.085 1.00 20.33 C ATOM 0 H VAL A 12 -6.061 16.952 -5.615 1.00 11.33 H new ATOM 0 HA VAL A 12 -4.370 14.814 -6.466 1.00 64.14 H new ATOM 0 HB VAL A 12 -4.066 16.768 -4.138 1.00 34.21 H new ATOM 0 HG11 VAL A 12 -1.620 16.372 -4.303 1.00 71.14 H new ATOM 0 HG12 VAL A 12 -2.516 14.900 -3.857 1.00 71.14 H new ATOM 0 HG13 VAL A 12 -1.919 15.109 -5.521 1.00 71.14 H new ATOM 0 HG21 VAL A 12 -2.658 18.118 -5.704 1.00 20.33 H new ATOM 0 HG22 VAL A 12 -3.051 16.978 -7.013 1.00 20.33 H new ATOM 0 HG23 VAL A 12 -4.336 17.964 -6.275 1.00 20.33 H new ATOM 172 N ARG A 13 -5.649 14.559 -3.391 1.00 35.35 N ATOM 173 CA ARG A 13 -5.933 13.660 -2.242 1.00 1.01 C ATOM 174 C ARG A 13 -6.898 12.507 -2.622 1.00 30.24 C ATOM 175 O ARG A 13 -6.923 11.473 -1.965 1.00 42.40 O ATOM 176 CB ARG A 13 -6.510 14.476 -1.056 1.00 70.13 C ATOM 177 CG ARG A 13 -5.584 15.600 -0.531 1.00 13.23 C ATOM 178 CD ARG A 13 -4.279 15.079 0.093 1.00 32.05 C ATOM 179 NE ARG A 13 -4.523 14.344 1.347 1.00 12.21 N ATOM 180 CZ ARG A 13 -3.853 13.297 1.763 1.00 15.01 C ATOM 181 NH1 ARG A 13 -2.863 12.814 1.083 1.00 31.40 N ATOM 182 NH2 ARG A 13 -4.157 12.748 2.888 1.00 74.00 N ATOM 0 H ARG A 13 -6.014 15.503 -3.264 1.00 35.35 H new ATOM 0 HA ARG A 13 -4.989 13.204 -1.944 1.00 1.01 H new ATOM 0 HB2 ARG A 13 -7.457 14.919 -1.364 1.00 70.13 H new ATOM 0 HB3 ARG A 13 -6.730 13.793 -0.236 1.00 70.13 H new ATOM 0 HG2 ARG A 13 -5.341 16.273 -1.353 1.00 13.23 H new ATOM 0 HG3 ARG A 13 -6.124 16.187 0.212 1.00 13.23 H new ATOM 0 HD2 ARG A 13 -3.773 14.426 -0.618 1.00 32.05 H new ATOM 0 HD3 ARG A 13 -3.610 15.917 0.288 1.00 32.05 H new ATOM 0 HE ARG A 13 -5.279 14.679 1.943 1.00 12.21 H new ATOM 0 HH11 ARG A 13 -2.589 13.249 0.202 1.00 31.40 H new ATOM 0 HH12 ARG A 13 -2.357 11.998 1.428 1.00 31.40 H new ATOM 0 HH21 ARG A 13 -4.917 13.128 3.452 1.00 74.00 H new ATOM 0 HH22 ARG A 13 -3.638 11.933 3.215 1.00 74.00 H new ATOM 196 N ASN A 14 -7.759 12.739 -3.625 1.00 63.02 N ATOM 197 CA ASN A 14 -8.640 11.686 -4.177 1.00 62.31 C ATOM 198 C ASN A 14 -7.840 10.735 -5.110 1.00 34.23 C ATOM 199 O ASN A 14 -7.776 9.536 -4.866 1.00 41.34 O ATOM 200 CB ASN A 14 -9.833 12.339 -4.923 1.00 43.33 C ATOM 201 CG ASN A 14 -10.861 11.318 -5.431 1.00 60.42 C ATOM 202 OD1 ASN A 14 -10.782 10.842 -6.558 1.00 74.10 O ATOM 203 ND2 ASN A 14 -11.823 10.964 -4.604 1.00 51.05 N ATOM 0 H ASN A 14 -7.867 13.648 -4.075 1.00 63.02 H new ATOM 0 HA ASN A 14 -9.034 11.084 -3.358 1.00 62.31 H new ATOM 0 HB2 ASN A 14 -10.329 13.043 -4.255 1.00 43.33 H new ATOM 0 HB3 ASN A 14 -9.454 12.914 -5.768 1.00 43.33 H new ATOM 0 HD21 ASN A 14 -12.522 10.281 -4.897 1.00 51.05 H new ATOM 0 HD22 ASN A 14 -11.869 11.373 -3.671 1.00 51.05 H new ATOM 210 N LYS A 15 -7.198 11.314 -6.138 1.00 64.53 N ATOM 211 CA LYS A 15 -6.496 10.567 -7.215 1.00 4.12 C ATOM 212 C LYS A 15 -5.362 9.662 -6.688 1.00 53.01 C ATOM 213 O LYS A 15 -5.175 8.543 -7.180 1.00 71.44 O ATOM 214 CB LYS A 15 -5.940 11.565 -8.249 1.00 32.25 C ATOM 215 CG LYS A 15 -5.266 10.926 -9.481 1.00 33.32 C ATOM 216 CD LYS A 15 -4.847 11.978 -10.526 1.00 25.53 C ATOM 217 CE LYS A 15 -3.833 13.003 -9.980 1.00 2.11 C ATOM 218 NZ LYS A 15 -3.499 14.041 -10.987 1.00 72.41 N ATOM 0 H LYS A 15 -7.147 12.326 -6.253 1.00 64.53 H new ATOM 0 HA LYS A 15 -7.228 9.905 -7.678 1.00 4.12 H new ATOM 0 HB2 LYS A 15 -6.756 12.202 -8.591 1.00 32.25 H new ATOM 0 HB3 LYS A 15 -5.216 12.212 -7.753 1.00 32.25 H new ATOM 0 HG2 LYS A 15 -4.388 10.364 -9.162 1.00 33.32 H new ATOM 0 HG3 LYS A 15 -5.952 10.214 -9.940 1.00 33.32 H new ATOM 0 HD2 LYS A 15 -4.414 11.472 -11.389 1.00 25.53 H new ATOM 0 HD3 LYS A 15 -5.734 12.505 -10.878 1.00 25.53 H new ATOM 0 HE2 LYS A 15 -4.242 13.480 -9.089 1.00 2.11 H new ATOM 0 HE3 LYS A 15 -2.923 12.486 -9.675 1.00 2.11 H new ATOM 0 HZ1 LYS A 15 -2.815 14.711 -10.581 1.00 72.41 H new ATOM 0 HZ2 LYS A 15 -3.085 13.589 -11.827 1.00 72.41 H new ATOM 0 HZ3 LYS A 15 -4.363 14.551 -11.259 1.00 72.41 H new ATOM 232 N CYS A 16 -4.618 10.155 -5.686 1.00 32.44 N ATOM 233 CA CYS A 16 -3.486 9.417 -5.099 1.00 73.23 C ATOM 234 C CYS A 16 -3.945 8.119 -4.399 1.00 34.35 C ATOM 235 O CYS A 16 -3.440 7.051 -4.718 1.00 72.44 O ATOM 236 CB CYS A 16 -2.677 10.310 -4.146 1.00 24.45 C ATOM 237 SG CYS A 16 -1.437 9.421 -3.183 1.00 43.14 S ATOM 0 H CYS A 16 -4.781 11.068 -5.262 1.00 32.44 H new ATOM 0 HA CYS A 16 -2.831 9.123 -5.919 1.00 73.23 H new ATOM 0 HB2 CYS A 16 -2.182 11.088 -4.726 1.00 24.45 H new ATOM 0 HB3 CYS A 16 -3.363 10.810 -3.462 1.00 24.45 H new ATOM 0 HG CYS A 16 -1.652 9.614 -1.915 1.00 43.14 H new ATOM 243 N ARG A 17 -4.924 8.192 -3.478 1.00 60.43 N ATOM 244 CA ARG A 17 -5.475 6.974 -2.820 1.00 23.33 C ATOM 245 C ARG A 17 -6.204 6.039 -3.817 1.00 10.22 C ATOM 246 O ARG A 17 -6.261 4.837 -3.593 1.00 21.32 O ATOM 247 CB ARG A 17 -6.365 7.338 -1.589 1.00 21.13 C ATOM 248 CG ARG A 17 -7.579 8.276 -1.846 1.00 10.13 C ATOM 249 CD ARG A 17 -8.850 7.562 -2.358 1.00 23.12 C ATOM 250 NE ARG A 17 -9.393 6.607 -1.370 1.00 14.14 N ATOM 251 CZ ARG A 17 -10.608 6.105 -1.398 1.00 24.12 C ATOM 252 NH1 ARG A 17 -11.393 6.311 -2.397 1.00 3.15 N ATOM 253 NH2 ARG A 17 -11.015 5.346 -0.442 1.00 33.50 N ATOM 0 H ARG A 17 -5.351 9.066 -3.170 1.00 60.43 H new ATOM 0 HA ARG A 17 -4.624 6.407 -2.443 1.00 23.33 H new ATOM 0 HB2 ARG A 17 -6.740 6.410 -1.156 1.00 21.13 H new ATOM 0 HB3 ARG A 17 -5.729 7.806 -0.838 1.00 21.13 H new ATOM 0 HG2 ARG A 17 -7.820 8.798 -0.920 1.00 10.13 H new ATOM 0 HG3 ARG A 17 -7.287 9.034 -2.572 1.00 10.13 H new ATOM 0 HD2 ARG A 17 -9.610 8.306 -2.597 1.00 23.12 H new ATOM 0 HD3 ARG A 17 -8.619 7.033 -3.283 1.00 23.12 H new ATOM 0 HE ARG A 17 -8.779 6.315 -0.609 1.00 14.14 H new ATOM 0 HH11 ARG A 17 -11.076 6.873 -3.187 1.00 3.15 H new ATOM 0 HH12 ARG A 17 -12.332 5.912 -2.399 1.00 3.15 H new ATOM 0 HH21 ARG A 17 -10.395 5.133 0.339 1.00 33.50 H new ATOM 0 HH22 ARG A 17 -11.958 4.958 -0.465 1.00 33.50 H new ATOM 267 N GLU A 18 -6.763 6.605 -4.910 1.00 55.21 N ATOM 268 CA GLU A 18 -7.396 5.808 -5.995 1.00 55.13 C ATOM 269 C GLU A 18 -6.372 4.968 -6.800 1.00 71.21 C ATOM 270 O GLU A 18 -6.659 3.824 -7.167 1.00 14.24 O ATOM 271 CB GLU A 18 -8.210 6.728 -6.946 1.00 53.20 C ATOM 272 CG GLU A 18 -9.496 7.325 -6.330 1.00 33.41 C ATOM 273 CD GLU A 18 -10.560 6.265 -5.979 1.00 43.40 C ATOM 274 OE1 GLU A 18 -10.445 5.615 -4.920 1.00 4.22 O ATOM 275 OE2 GLU A 18 -11.514 6.073 -6.764 1.00 45.42 O ATOM 0 H GLU A 18 -6.791 7.612 -5.068 1.00 55.21 H new ATOM 0 HA GLU A 18 -8.072 5.103 -5.511 1.00 55.13 H new ATOM 0 HB2 GLU A 18 -7.568 7.546 -7.274 1.00 53.20 H new ATOM 0 HB3 GLU A 18 -8.481 6.159 -7.835 1.00 53.20 H new ATOM 0 HG2 GLU A 18 -9.234 7.878 -5.428 1.00 33.41 H new ATOM 0 HG3 GLU A 18 -9.926 8.042 -7.030 1.00 33.41 H new ATOM 282 N MET A 19 -5.184 5.541 -7.076 1.00 24.01 N ATOM 283 CA MET A 19 -4.089 4.806 -7.758 1.00 35.31 C ATOM 284 C MET A 19 -3.403 3.804 -6.787 1.00 15.13 C ATOM 285 O MET A 19 -2.850 2.788 -7.222 1.00 43.13 O ATOM 286 CB MET A 19 -3.067 5.778 -8.419 1.00 71.12 C ATOM 287 CG MET A 19 -2.173 6.553 -7.459 1.00 40.01 C ATOM 288 SD MET A 19 -1.006 7.638 -8.307 1.00 71.14 S ATOM 289 CE MET A 19 -2.036 9.034 -8.753 1.00 11.13 C ATOM 0 H MET A 19 -4.954 6.506 -6.840 1.00 24.01 H new ATOM 0 HA MET A 19 -4.530 4.224 -8.567 1.00 35.31 H new ATOM 0 HB2 MET A 19 -2.432 5.204 -9.094 1.00 71.12 H new ATOM 0 HB3 MET A 19 -3.617 6.493 -9.031 1.00 71.12 H new ATOM 0 HG2 MET A 19 -2.796 7.148 -6.791 1.00 40.01 H new ATOM 0 HG3 MET A 19 -1.621 5.849 -6.837 1.00 40.01 H new ATOM 0 HE1 MET A 19 -1.784 9.365 -9.760 1.00 11.13 H new ATOM 0 HE2 MET A 19 -3.084 8.738 -8.720 1.00 11.13 H new ATOM 0 HE3 MET A 19 -1.867 9.850 -8.050 1.00 11.13 H new ATOM 299 N LEU A 20 -3.435 4.115 -5.468 1.00 71.21 N ATOM 300 CA LEU A 20 -3.006 3.170 -4.405 1.00 4.44 C ATOM 301 C LEU A 20 -3.995 1.986 -4.275 1.00 34.30 C ATOM 302 O LEU A 20 -3.582 0.860 -3.990 1.00 54.13 O ATOM 303 CB LEU A 20 -2.868 3.894 -3.035 1.00 53.14 C ATOM 304 CG LEU A 20 -1.832 5.060 -2.963 1.00 31.44 C ATOM 305 CD1 LEU A 20 -1.751 5.667 -1.543 1.00 74.40 C ATOM 306 CD2 LEU A 20 -0.445 4.612 -3.477 1.00 62.12 C ATOM 0 H LEU A 20 -3.755 5.016 -5.113 1.00 71.21 H new ATOM 0 HA LEU A 20 -2.031 2.779 -4.695 1.00 4.44 H new ATOM 0 HB2 LEU A 20 -3.845 4.289 -2.758 1.00 53.14 H new ATOM 0 HB3 LEU A 20 -2.599 3.152 -2.283 1.00 53.14 H new ATOM 0 HG LEU A 20 -2.184 5.851 -3.626 1.00 31.44 H new ATOM 0 HD11 LEU A 20 -1.019 6.475 -1.534 1.00 74.40 H new ATOM 0 HD12 LEU A 20 -2.728 6.058 -1.258 1.00 74.40 H new ATOM 0 HD13 LEU A 20 -1.449 4.896 -0.834 1.00 74.40 H new ATOM 0 HD21 LEU A 20 0.253 5.446 -3.414 1.00 62.12 H new ATOM 0 HD22 LEU A 20 -0.080 3.786 -2.866 1.00 62.12 H new ATOM 0 HD23 LEU A 20 -0.529 4.287 -4.514 1.00 62.12 H new ATOM 318 N THR A 21 -5.301 2.260 -4.483 1.00 3.55 N ATOM 319 CA THR A 21 -6.347 1.209 -4.555 1.00 73.53 C ATOM 320 C THR A 21 -6.089 0.296 -5.768 1.00 45.43 C ATOM 321 O THR A 21 -6.160 -0.929 -5.662 1.00 10.23 O ATOM 322 CB THR A 21 -7.797 1.811 -4.672 1.00 55.22 C ATOM 323 OG1 THR A 21 -8.053 2.721 -3.597 1.00 4.03 O ATOM 324 CG2 THR A 21 -8.881 0.719 -4.654 1.00 74.43 C ATOM 0 H THR A 21 -5.661 3.207 -4.605 1.00 3.55 H new ATOM 0 HA THR A 21 -6.291 0.641 -3.626 1.00 73.53 H new ATOM 0 HB THR A 21 -7.840 2.332 -5.628 1.00 55.22 H new ATOM 0 HG1 THR A 21 -7.443 3.485 -3.663 1.00 4.03 H new ATOM 0 HG21 THR A 21 -9.865 1.181 -4.737 1.00 74.43 H new ATOM 0 HG22 THR A 21 -8.727 0.040 -5.493 1.00 74.43 H new ATOM 0 HG23 THR A 21 -8.820 0.161 -3.720 1.00 74.43 H new ATOM 332 N ALA A 22 -5.764 0.931 -6.914 1.00 1.04 N ATOM 333 CA ALA A 22 -5.375 0.239 -8.159 1.00 60.13 C ATOM 334 C ALA A 22 -4.092 -0.610 -7.971 1.00 22.21 C ATOM 335 O ALA A 22 -3.944 -1.672 -8.577 1.00 72.12 O ATOM 336 CB ALA A 22 -5.194 1.263 -9.284 1.00 33.32 C ATOM 0 H ALA A 22 -5.765 1.947 -7.001 1.00 1.04 H new ATOM 0 HA ALA A 22 -6.174 -0.451 -8.429 1.00 60.13 H new ATOM 0 HB1 ALA A 22 -4.907 0.749 -10.201 1.00 33.32 H new ATOM 0 HB2 ALA A 22 -6.131 1.796 -9.445 1.00 33.32 H new ATOM 0 HB3 ALA A 22 -4.415 1.974 -9.007 1.00 33.32 H new ATOM 342 N ALA A 23 -3.181 -0.132 -7.107 1.00 12.00 N ATOM 343 CA ALA A 23 -1.970 -0.879 -6.711 1.00 0.33 C ATOM 344 C ALA A 23 -2.315 -2.108 -5.840 1.00 42.22 C ATOM 345 O ALA A 23 -1.594 -3.094 -5.854 1.00 65.12 O ATOM 346 CB ALA A 23 -1.013 0.044 -5.962 1.00 12.15 C ATOM 0 H ALA A 23 -3.261 0.782 -6.662 1.00 12.00 H new ATOM 0 HA ALA A 23 -1.489 -1.243 -7.619 1.00 0.33 H new ATOM 0 HB1 ALA A 23 -0.122 -0.513 -5.673 1.00 12.15 H new ATOM 0 HB2 ALA A 23 -0.728 0.874 -6.608 1.00 12.15 H new ATOM 0 HB3 ALA A 23 -1.505 0.431 -5.069 1.00 12.15 H new ATOM 352 N LEU A 24 -3.412 -2.012 -5.066 1.00 24.13 N ATOM 353 CA LEU A 24 -3.935 -3.132 -4.239 1.00 23.31 C ATOM 354 C LEU A 24 -4.895 -4.067 -5.037 1.00 43.31 C ATOM 355 O LEU A 24 -5.367 -5.085 -4.508 1.00 33.34 O ATOM 356 CB LEU A 24 -4.620 -2.561 -2.972 1.00 23.42 C ATOM 357 CG LEU A 24 -3.675 -1.793 -1.982 1.00 45.25 C ATOM 358 CD1 LEU A 24 -4.471 -1.068 -0.872 1.00 44.31 C ATOM 359 CD2 LEU A 24 -2.619 -2.750 -1.371 1.00 74.41 C ATOM 0 H LEU A 24 -3.966 -1.159 -4.992 1.00 24.13 H new ATOM 0 HA LEU A 24 -3.092 -3.755 -3.941 1.00 23.31 H new ATOM 0 HB2 LEU A 24 -5.417 -1.886 -3.284 1.00 23.42 H new ATOM 0 HB3 LEU A 24 -5.091 -3.383 -2.433 1.00 23.42 H new ATOM 0 HG LEU A 24 -3.153 -1.029 -2.558 1.00 45.25 H new ATOM 0 HD11 LEU A 24 -3.780 -0.549 -0.208 1.00 44.31 H new ATOM 0 HD12 LEU A 24 -5.151 -0.346 -1.324 1.00 44.31 H new ATOM 0 HD13 LEU A 24 -5.044 -1.797 -0.300 1.00 44.31 H new ATOM 0 HD21 LEU A 24 -1.976 -2.194 -0.688 1.00 74.41 H new ATOM 0 HD22 LEU A 24 -3.123 -3.548 -0.826 1.00 74.41 H new ATOM 0 HD23 LEU A 24 -2.014 -3.181 -2.169 1.00 74.41 H new ATOM 371 N GLN A 25 -5.181 -3.707 -6.311 1.00 73.02 N ATOM 372 CA GLN A 25 -5.930 -4.578 -7.263 1.00 53.11 C ATOM 373 C GLN A 25 -5.016 -5.658 -7.900 1.00 23.24 C ATOM 374 O GLN A 25 -5.506 -6.568 -8.581 1.00 53.42 O ATOM 375 CB GLN A 25 -6.597 -3.737 -8.392 1.00 63.42 C ATOM 376 CG GLN A 25 -7.620 -2.685 -7.919 1.00 62.42 C ATOM 377 CD GLN A 25 -8.782 -3.262 -7.118 1.00 12.33 C ATOM 378 OE1 GLN A 25 -8.662 -3.265 -5.810 1.00 45.21 O flip ATOM 379 NE2 GLN A 25 -9.792 -3.678 -7.670 1.00 55.32 N flip ATOM 0 H GLN A 25 -4.903 -2.811 -6.711 1.00 73.02 H new ATOM 0 HA GLN A 25 -6.705 -5.078 -6.682 1.00 53.11 H new ATOM 0 HB2 GLN A 25 -5.813 -3.229 -8.954 1.00 63.42 H new ATOM 0 HB3 GLN A 25 -7.095 -4.418 -9.083 1.00 63.42 H new ATOM 0 HG2 GLN A 25 -7.106 -1.942 -7.309 1.00 62.42 H new ATOM 0 HG3 GLN A 25 -8.017 -2.163 -8.790 1.00 62.42 H new ATOM 0 HE21 GLN A 25 -9.859 -3.664 -8.688 1.00 55.32 H new ATOM 0 HE22 GLN A 25 -10.566 -4.038 -7.112 1.00 55.32 H new ATOM 388 N THR A 26 -3.689 -5.534 -7.678 1.00 71.12 N ATOM 389 CA THR A 26 -2.667 -6.486 -8.199 1.00 41.35 C ATOM 390 C THR A 26 -2.911 -7.939 -7.697 1.00 44.15 C ATOM 391 O THR A 26 -2.609 -8.913 -8.395 1.00 40.41 O ATOM 392 CB THR A 26 -1.221 -6.015 -7.810 1.00 40.01 C ATOM 393 OG1 THR A 26 -0.228 -6.826 -8.466 1.00 32.34 O ATOM 394 CG2 THR A 26 -0.996 -6.056 -6.287 1.00 21.24 C ATOM 0 H THR A 26 -3.289 -4.771 -7.132 1.00 71.12 H new ATOM 0 HA THR A 26 -2.760 -6.492 -9.285 1.00 41.35 H new ATOM 0 HB THR A 26 -1.122 -4.981 -8.142 1.00 40.01 H new ATOM 0 HG1 THR A 26 0.509 -7.006 -7.846 1.00 32.34 H new ATOM 0 HG21 THR A 26 0.017 -5.723 -6.060 1.00 21.24 H new ATOM 0 HG22 THR A 26 -1.713 -5.399 -5.795 1.00 21.24 H new ATOM 0 HG23 THR A 26 -1.132 -7.076 -5.926 1.00 21.24 H new ATOM 402 N ASP A 27 -3.471 -8.048 -6.476 1.00 2.24 N ATOM 403 CA ASP A 27 -3.910 -9.322 -5.868 1.00 50.02 C ATOM 404 C ASP A 27 -5.421 -9.296 -5.611 1.00 71.33 C ATOM 405 O ASP A 27 -5.945 -8.311 -5.094 1.00 13.05 O ATOM 406 CB ASP A 27 -3.163 -9.572 -4.537 1.00 31.42 C ATOM 407 CG ASP A 27 -1.665 -9.770 -4.751 1.00 1.11 C ATOM 408 OD1 ASP A 27 -1.269 -10.859 -5.219 1.00 23.44 O ATOM 409 OD2 ASP A 27 -0.880 -8.845 -4.480 1.00 60.11 O ATOM 0 H ASP A 27 -3.634 -7.241 -5.874 1.00 2.24 H new ATOM 0 HA ASP A 27 -3.678 -10.129 -6.563 1.00 50.02 H new ATOM 0 HB2 ASP A 27 -3.325 -8.728 -3.866 1.00 31.42 H new ATOM 0 HB3 ASP A 27 -3.579 -10.453 -4.048 1.00 31.42 H new ATOM 414 N HIS A 28 -6.110 -10.399 -5.952 1.00 13.13 N ATOM 415 CA HIS A 28 -7.560 -10.564 -5.693 1.00 33.23 C ATOM 416 C HIS A 28 -7.847 -10.972 -4.223 1.00 63.23 C ATOM 417 O HIS A 28 -9.012 -11.171 -3.858 1.00 63.41 O ATOM 418 CB HIS A 28 -8.157 -11.607 -6.671 1.00 34.00 C ATOM 419 CG HIS A 28 -8.062 -11.232 -8.119 1.00 31.42 C ATOM 420 ND1 HIS A 28 -7.672 -12.107 -9.109 1.00 44.22 N ATOM 421 CD2 HIS A 28 -8.336 -10.071 -8.744 1.00 72.44 C ATOM 422 CE1 HIS A 28 -7.725 -11.504 -10.274 1.00 14.35 C ATOM 423 NE2 HIS A 28 -8.125 -10.270 -10.079 1.00 52.53 N ATOM 0 H HIS A 28 -5.683 -11.202 -6.414 1.00 13.13 H new ATOM 0 HA HIS A 28 -8.038 -9.598 -5.858 1.00 33.23 H new ATOM 0 HB2 HIS A 28 -7.647 -12.559 -6.522 1.00 34.00 H new ATOM 0 HB3 HIS A 28 -9.206 -11.764 -6.418 1.00 34.00 H new ATOM 0 HD2 HIS A 28 -8.662 -9.153 -8.277 1.00 72.44 H new ATOM 0 HE1 HIS A 28 -7.481 -11.947 -11.228 1.00 14.35 H new ATOM 0 HE2 HIS A 28 -8.258 -9.570 -10.809 1.00 52.53 H new ATOM 432 N ASP A 29 -6.781 -11.074 -3.388 1.00 13.15 N ATOM 433 CA ASP A 29 -6.891 -11.404 -1.947 1.00 71.44 C ATOM 434 C ASP A 29 -7.796 -10.416 -1.166 1.00 21.13 C ATOM 435 O ASP A 29 -8.444 -10.818 -0.214 1.00 64.43 O ATOM 436 CB ASP A 29 -5.484 -11.467 -1.301 1.00 1.30 C ATOM 437 CG ASP A 29 -4.630 -12.600 -1.888 1.00 51.21 C ATOM 438 OD1 ASP A 29 -4.740 -13.750 -1.415 1.00 53.22 O ATOM 439 OD2 ASP A 29 -3.868 -12.358 -2.839 1.00 51.21 O ATOM 0 H ASP A 29 -5.820 -10.929 -3.698 1.00 13.15 H new ATOM 0 HA ASP A 29 -7.367 -12.382 -1.885 1.00 71.44 H new ATOM 0 HB2 ASP A 29 -4.974 -10.515 -1.449 1.00 1.30 H new ATOM 0 HB3 ASP A 29 -5.585 -11.610 -0.225 1.00 1.30 H new ATOM 444 N HIS A 30 -7.852 -9.132 -1.582 1.00 25.40 N ATOM 445 CA HIS A 30 -8.756 -8.136 -0.938 1.00 33.24 C ATOM 446 C HIS A 30 -10.256 -8.530 -1.093 1.00 72.15 C ATOM 447 O HIS A 30 -11.070 -8.274 -0.206 1.00 72.31 O ATOM 448 CB HIS A 30 -8.486 -6.700 -1.471 1.00 73.02 C ATOM 449 CG HIS A 30 -8.789 -6.469 -2.925 1.00 21.14 C ATOM 450 ND1 HIS A 30 -7.884 -6.712 -3.932 1.00 62.02 N ATOM 451 CD2 HIS A 30 -9.907 -6.012 -3.543 1.00 22.53 C ATOM 452 CE1 HIS A 30 -8.428 -6.428 -5.093 1.00 61.12 C ATOM 453 NE2 HIS A 30 -9.647 -6.003 -4.885 1.00 64.32 N ATOM 0 H HIS A 30 -7.293 -8.758 -2.349 1.00 25.40 H new ATOM 0 HA HIS A 30 -8.533 -8.139 0.129 1.00 33.24 H new ATOM 0 HB2 HIS A 30 -9.076 -5.998 -0.881 1.00 73.02 H new ATOM 0 HB3 HIS A 30 -7.437 -6.460 -1.296 1.00 73.02 H new ATOM 0 HD1 HIS A 30 -6.935 -7.060 -3.797 1.00 62.02 H new ATOM 0 HD2 HIS A 30 -10.828 -5.712 -3.065 1.00 22.53 H new ATOM 0 HE1 HIS A 30 -7.950 -6.528 -6.056 1.00 61.12 H new ATOM 462 N VAL A 31 -10.593 -9.171 -2.226 1.00 4.31 N ATOM 463 CA VAL A 31 -11.952 -9.702 -2.481 1.00 32.12 C ATOM 464 C VAL A 31 -12.200 -10.993 -1.653 1.00 10.05 C ATOM 465 O VAL A 31 -13.183 -11.086 -0.919 1.00 22.34 O ATOM 466 CB VAL A 31 -12.166 -10.002 -4.014 1.00 4.12 C ATOM 467 CG1 VAL A 31 -13.576 -10.577 -4.300 1.00 1.44 C ATOM 468 CG2 VAL A 31 -11.904 -8.738 -4.868 1.00 50.04 C ATOM 0 H VAL A 31 -9.938 -9.337 -2.990 1.00 4.31 H new ATOM 0 HA VAL A 31 -12.668 -8.940 -2.174 1.00 32.12 H new ATOM 0 HB VAL A 31 -11.440 -10.765 -4.297 1.00 4.12 H new ATOM 0 HG11 VAL A 31 -13.681 -10.769 -5.368 1.00 1.44 H new ATOM 0 HG12 VAL A 31 -13.708 -11.508 -3.749 1.00 1.44 H new ATOM 0 HG13 VAL A 31 -14.333 -9.859 -3.985 1.00 1.44 H new ATOM 0 HG21 VAL A 31 -12.058 -8.972 -5.921 1.00 50.04 H new ATOM 0 HG22 VAL A 31 -12.591 -7.947 -4.568 1.00 50.04 H new ATOM 0 HG23 VAL A 31 -10.878 -8.403 -4.717 1.00 50.04 H new ATOM 478 N ALA A 32 -11.269 -11.967 -1.784 1.00 62.14 N ATOM 479 CA ALA A 32 -11.367 -13.309 -1.145 1.00 63.33 C ATOM 480 C ALA A 32 -11.462 -13.240 0.402 1.00 53.00 C ATOM 481 O ALA A 32 -12.287 -13.921 1.016 1.00 4.20 O ATOM 482 CB ALA A 32 -10.163 -14.168 -1.564 1.00 53.24 C ATOM 0 H ALA A 32 -10.422 -11.847 -2.339 1.00 62.14 H new ATOM 0 HA ALA A 32 -12.294 -13.764 -1.493 1.00 63.33 H new ATOM 0 HB1 ALA A 32 -10.236 -15.150 -1.096 1.00 53.24 H new ATOM 0 HB2 ALA A 32 -10.157 -14.282 -2.648 1.00 53.24 H new ATOM 0 HB3 ALA A 32 -9.241 -13.682 -1.246 1.00 53.24 H new ATOM 488 N ILE A 33 -10.604 -12.408 1.002 1.00 51.23 N ATOM 489 CA ILE A 33 -10.573 -12.163 2.465 1.00 64.14 C ATOM 490 C ILE A 33 -11.776 -11.280 2.902 1.00 24.34 C ATOM 491 O ILE A 33 -12.284 -11.412 4.018 1.00 2.25 O ATOM 492 CB ILE A 33 -9.198 -11.484 2.863 1.00 75.21 C ATOM 493 CG1 ILE A 33 -8.005 -12.419 2.453 1.00 22.51 C ATOM 494 CG2 ILE A 33 -9.123 -11.128 4.374 1.00 52.44 C ATOM 495 CD1 ILE A 33 -6.620 -11.799 2.558 1.00 4.42 C ATOM 0 H ILE A 33 -9.901 -11.876 0.489 1.00 51.23 H new ATOM 0 HA ILE A 33 -10.657 -13.117 2.986 1.00 64.14 H new ATOM 0 HB ILE A 33 -9.127 -10.542 2.318 1.00 75.21 H new ATOM 0 HG12 ILE A 33 -8.033 -13.310 3.080 1.00 22.51 H new ATOM 0 HG13 ILE A 33 -8.160 -12.747 1.425 1.00 22.51 H new ATOM 0 HG21 ILE A 33 -8.160 -10.666 4.592 1.00 52.44 H new ATOM 0 HG22 ILE A 33 -9.924 -10.433 4.624 1.00 52.44 H new ATOM 0 HG23 ILE A 33 -9.232 -12.036 4.968 1.00 52.44 H new ATOM 0 HD11 ILE A 33 -5.870 -12.529 2.252 1.00 4.42 H new ATOM 0 HD12 ILE A 33 -6.562 -10.925 1.909 1.00 4.42 H new ATOM 0 HD13 ILE A 33 -6.433 -11.498 3.589 1.00 4.42 H new ATOM 507 N GLY A 34 -12.239 -10.405 1.989 1.00 52.33 N ATOM 508 CA GLY A 34 -13.378 -9.511 2.255 1.00 43.03 C ATOM 509 C GLY A 34 -12.965 -8.183 2.886 1.00 3.33 C ATOM 510 O GLY A 34 -13.711 -7.603 3.678 1.00 2.13 O ATOM 0 H GLY A 34 -11.838 -10.300 1.057 1.00 52.33 H new ATOM 0 HA2 GLY A 34 -13.903 -9.314 1.320 1.00 43.03 H new ATOM 0 HA3 GLY A 34 -14.082 -10.017 2.916 1.00 43.03 H new ATOM 514 N ALA A 35 -11.761 -7.705 2.534 1.00 42.34 N ATOM 515 CA ALA A 35 -11.245 -6.386 2.956 1.00 51.52 C ATOM 516 C ALA A 35 -11.236 -5.423 1.757 1.00 61.21 C ATOM 517 O ALA A 35 -10.459 -5.617 0.816 1.00 13.13 O ATOM 518 CB ALA A 35 -9.827 -6.536 3.526 1.00 23.42 C ATOM 0 H ALA A 35 -11.111 -8.224 1.944 1.00 42.34 H new ATOM 0 HA ALA A 35 -11.894 -5.979 3.732 1.00 51.52 H new ATOM 0 HB1 ALA A 35 -9.454 -5.560 3.835 1.00 23.42 H new ATOM 0 HB2 ALA A 35 -9.850 -7.205 4.387 1.00 23.42 H new ATOM 0 HB3 ALA A 35 -9.170 -6.951 2.762 1.00 23.42 H new ATOM 524 N ASP A 36 -12.112 -4.402 1.771 1.00 61.12 N ATOM 525 CA ASP A 36 -12.154 -3.391 0.694 1.00 22.35 C ATOM 526 C ASP A 36 -10.902 -2.484 0.751 1.00 61.32 C ATOM 527 O ASP A 36 -10.750 -1.663 1.653 1.00 11.22 O ATOM 528 CB ASP A 36 -13.456 -2.563 0.765 1.00 75.13 C ATOM 529 CG ASP A 36 -14.700 -3.415 0.513 1.00 53.23 C ATOM 530 OD1 ASP A 36 -15.164 -4.086 1.450 1.00 21.21 O ATOM 531 OD2 ASP A 36 -15.194 -3.450 -0.633 1.00 51.01 O ATOM 0 H ASP A 36 -12.798 -4.254 2.511 1.00 61.12 H new ATOM 0 HA ASP A 36 -12.148 -3.909 -0.265 1.00 22.35 H new ATOM 0 HB2 ASP A 36 -13.532 -2.094 1.746 1.00 75.13 H new ATOM 0 HB3 ASP A 36 -13.414 -1.760 0.030 1.00 75.13 H new ATOM 536 N CYS A 37 -10.017 -2.648 -0.244 1.00 4.24 N ATOM 537 CA CYS A 37 -8.689 -1.997 -0.293 1.00 0.22 C ATOM 538 C CYS A 37 -8.743 -0.458 -0.487 1.00 0.01 C ATOM 539 O CYS A 37 -7.706 0.206 -0.436 1.00 20.14 O ATOM 540 CB CYS A 37 -7.848 -2.663 -1.395 1.00 35.30 C ATOM 541 SG CYS A 37 -8.604 -2.654 -3.033 1.00 15.43 S ATOM 0 H CYS A 37 -10.202 -3.244 -1.051 1.00 4.24 H new ATOM 0 HA CYS A 37 -8.224 -2.140 0.682 1.00 0.22 H new ATOM 0 HB2 CYS A 37 -6.884 -2.157 -1.452 1.00 35.30 H new ATOM 0 HB3 CYS A 37 -7.650 -3.696 -1.107 1.00 35.30 H new ATOM 0 HG CYS A 37 -7.990 -3.507 -3.799 1.00 15.43 H new ATOM 547 N GLU A 38 -9.953 0.092 -0.708 1.00 34.14 N ATOM 548 CA GLU A 38 -10.180 1.555 -0.761 1.00 31.41 C ATOM 549 C GLU A 38 -10.014 2.230 0.636 1.00 22.45 C ATOM 550 O GLU A 38 -9.494 3.345 0.729 1.00 72.10 O ATOM 551 CB GLU A 38 -11.566 1.871 -1.421 1.00 32.32 C ATOM 552 CG GLU A 38 -12.791 1.051 -0.918 1.00 72.40 C ATOM 553 CD GLU A 38 -13.319 1.450 0.472 1.00 22.13 C ATOM 554 OE1 GLU A 38 -13.836 2.575 0.612 1.00 52.12 O ATOM 555 OE2 GLU A 38 -13.221 0.644 1.428 1.00 43.33 O ATOM 0 H GLU A 38 -10.798 -0.460 -0.854 1.00 34.14 H new ATOM 0 HA GLU A 38 -9.407 1.992 -1.392 1.00 31.41 H new ATOM 0 HB2 GLU A 38 -11.781 2.929 -1.269 1.00 32.32 H new ATOM 0 HB3 GLU A 38 -11.473 1.716 -2.496 1.00 32.32 H new ATOM 0 HG2 GLU A 38 -13.600 1.156 -1.641 1.00 72.40 H new ATOM 0 HG3 GLU A 38 -12.518 -0.004 -0.897 1.00 72.40 H new ATOM 562 N ARG A 39 -10.444 1.541 1.717 1.00 22.55 N ATOM 563 CA ARG A 39 -10.276 2.042 3.109 1.00 21.40 C ATOM 564 C ARG A 39 -8.801 1.915 3.550 1.00 62.33 C ATOM 565 O ARG A 39 -8.289 2.761 4.283 1.00 13.31 O ATOM 566 CB ARG A 39 -11.223 1.288 4.097 1.00 44.04 C ATOM 567 CG ARG A 39 -10.828 -0.175 4.406 1.00 50.15 C ATOM 568 CD ARG A 39 -11.932 -0.966 5.121 1.00 72.33 C ATOM 569 NE ARG A 39 -13.123 -1.157 4.268 1.00 42.41 N ATOM 570 CZ ARG A 39 -14.077 -2.036 4.488 1.00 41.41 C ATOM 571 NH1 ARG A 39 -14.028 -2.865 5.483 1.00 11.12 N ATOM 572 NH2 ARG A 39 -15.076 -2.087 3.688 1.00 73.33 N ATOM 0 H ARG A 39 -10.911 0.636 1.657 1.00 22.55 H new ATOM 0 HA ARG A 39 -10.552 3.096 3.129 1.00 21.40 H new ATOM 0 HB2 ARG A 39 -11.259 1.843 5.035 1.00 44.04 H new ATOM 0 HB3 ARG A 39 -12.232 1.295 3.684 1.00 44.04 H new ATOM 0 HG2 ARG A 39 -10.575 -0.680 3.474 1.00 50.15 H new ATOM 0 HG3 ARG A 39 -9.930 -0.178 5.024 1.00 50.15 H new ATOM 0 HD2 ARG A 39 -11.543 -1.939 5.422 1.00 72.33 H new ATOM 0 HD3 ARG A 39 -12.220 -0.442 6.032 1.00 72.33 H new ATOM 0 HE ARG A 39 -13.213 -0.561 3.445 1.00 42.41 H new ATOM 0 HH11 ARG A 39 -13.234 -2.848 6.123 1.00 11.12 H new ATOM 0 HH12 ARG A 39 -14.784 -3.535 5.627 1.00 11.12 H new ATOM 0 HH21 ARG A 39 -15.125 -1.451 2.892 1.00 73.33 H new ATOM 0 HH22 ARG A 39 -15.823 -2.764 3.847 1.00 73.33 H new ATOM 586 N LEU A 40 -8.127 0.848 3.064 1.00 0.53 N ATOM 587 CA LEU A 40 -6.700 0.600 3.335 1.00 61.05 C ATOM 588 C LEU A 40 -5.827 1.703 2.695 1.00 61.55 C ATOM 589 O LEU A 40 -5.026 2.336 3.374 1.00 34.45 O ATOM 590 CB LEU A 40 -6.290 -0.806 2.806 1.00 65.14 C ATOM 591 CG LEU A 40 -7.081 -2.025 3.399 1.00 32.21 C ATOM 592 CD1 LEU A 40 -6.630 -3.357 2.754 1.00 60.24 C ATOM 593 CD2 LEU A 40 -6.946 -2.085 4.940 1.00 71.42 C ATOM 0 H LEU A 40 -8.560 0.138 2.474 1.00 0.53 H new ATOM 0 HA LEU A 40 -6.539 0.624 4.413 1.00 61.05 H new ATOM 0 HB2 LEU A 40 -6.410 -0.813 1.723 1.00 65.14 H new ATOM 0 HB3 LEU A 40 -5.229 -0.953 3.010 1.00 65.14 H new ATOM 0 HG LEU A 40 -8.134 -1.878 3.160 1.00 32.21 H new ATOM 0 HD11 LEU A 40 -7.197 -4.181 3.187 1.00 60.24 H new ATOM 0 HD12 LEU A 40 -6.807 -3.319 1.679 1.00 60.24 H new ATOM 0 HD13 LEU A 40 -5.567 -3.510 2.941 1.00 60.24 H new ATOM 0 HD21 LEU A 40 -7.505 -2.940 5.321 1.00 71.42 H new ATOM 0 HD22 LEU A 40 -5.895 -2.189 5.209 1.00 71.42 H new ATOM 0 HD23 LEU A 40 -7.343 -1.168 5.376 1.00 71.42 H new ATOM 605 N SER A 41 -6.056 1.949 1.391 1.00 42.14 N ATOM 606 CA SER A 41 -5.320 2.965 0.591 1.00 11.41 C ATOM 607 C SER A 41 -5.530 4.402 1.119 1.00 3.14 C ATOM 608 O SER A 41 -4.625 5.232 1.059 1.00 41.34 O ATOM 609 CB SER A 41 -5.779 2.906 -0.879 1.00 62.00 C ATOM 610 OG SER A 41 -7.145 3.275 -0.998 1.00 11.04 O ATOM 0 H SER A 41 -6.762 1.447 0.852 1.00 42.14 H new ATOM 0 HA SER A 41 -4.260 2.727 0.676 1.00 11.41 H new ATOM 0 HB2 SER A 41 -5.164 3.573 -1.483 1.00 62.00 H new ATOM 0 HB3 SER A 41 -5.635 1.898 -1.269 1.00 62.00 H new ATOM 0 HG SER A 41 -7.489 2.980 -1.867 1.00 11.04 H new ATOM 616 N ALA A 42 -6.751 4.676 1.608 1.00 21.23 N ATOM 617 CA ALA A 42 -7.126 5.983 2.190 1.00 31.23 C ATOM 618 C ALA A 42 -6.448 6.240 3.565 1.00 32.23 C ATOM 619 O ALA A 42 -6.194 7.391 3.935 1.00 53.12 O ATOM 620 CB ALA A 42 -8.649 6.082 2.291 1.00 3.14 C ATOM 0 H ALA A 42 -7.512 3.996 1.612 1.00 21.23 H new ATOM 0 HA ALA A 42 -6.760 6.764 1.524 1.00 31.23 H new ATOM 0 HB1 ALA A 42 -8.923 7.046 2.720 1.00 3.14 H new ATOM 0 HB2 ALA A 42 -9.086 5.990 1.297 1.00 3.14 H new ATOM 0 HB3 ALA A 42 -9.024 5.281 2.928 1.00 3.14 H new ATOM 626 N GLN A 43 -6.195 5.165 4.336 1.00 72.33 N ATOM 627 CA GLN A 43 -5.402 5.252 5.590 1.00 54.12 C ATOM 628 C GLN A 43 -3.871 5.350 5.297 1.00 42.21 C ATOM 629 O GLN A 43 -3.128 5.959 6.072 1.00 62.23 O ATOM 630 CB GLN A 43 -5.716 4.051 6.513 1.00 52.01 C ATOM 631 CG GLN A 43 -7.169 3.999 7.038 1.00 55.42 C ATOM 632 CD GLN A 43 -7.474 2.728 7.843 1.00 23.13 C ATOM 633 OE1 GLN A 43 -7.336 2.694 9.064 1.00 61.42 O ATOM 634 NE2 GLN A 43 -7.859 1.664 7.159 1.00 50.03 N ATOM 0 H GLN A 43 -6.525 4.225 4.118 1.00 72.33 H new ATOM 0 HA GLN A 43 -5.691 6.168 6.106 1.00 54.12 H new ATOM 0 HB2 GLN A 43 -5.508 3.129 5.970 1.00 52.01 H new ATOM 0 HB3 GLN A 43 -5.037 4.079 7.366 1.00 52.01 H new ATOM 0 HG2 GLN A 43 -7.354 4.872 7.664 1.00 55.42 H new ATOM 0 HG3 GLN A 43 -7.856 4.061 6.194 1.00 55.42 H new ATOM 0 HE21 GLN A 43 -7.966 1.720 6.146 1.00 50.03 H new ATOM 0 HE22 GLN A 43 -8.049 0.787 7.644 1.00 50.03 H new ATOM 643 N ILE A 44 -3.410 4.740 4.173 1.00 13.22 N ATOM 644 CA ILE A 44 -2.029 4.961 3.639 1.00 23.11 C ATOM 645 C ILE A 44 -1.865 6.446 3.226 1.00 13.24 C ATOM 646 O ILE A 44 -0.818 7.058 3.440 1.00 31.54 O ATOM 647 CB ILE A 44 -1.721 4.042 2.380 1.00 35.14 C ATOM 648 CG1 ILE A 44 -1.905 2.529 2.723 1.00 64.35 C ATOM 649 CG2 ILE A 44 -0.298 4.303 1.802 1.00 1.30 C ATOM 650 CD1 ILE A 44 -1.780 1.572 1.541 1.00 41.33 C ATOM 0 H ILE A 44 -3.969 4.092 3.617 1.00 13.22 H new ATOM 0 HA ILE A 44 -1.327 4.699 4.431 1.00 23.11 H new ATOM 0 HB ILE A 44 -2.444 4.309 1.610 1.00 35.14 H new ATOM 0 HG12 ILE A 44 -1.165 2.251 3.474 1.00 64.35 H new ATOM 0 HG13 ILE A 44 -2.887 2.393 3.177 1.00 64.35 H new ATOM 0 HG21 ILE A 44 -0.130 3.654 0.943 1.00 1.30 H new ATOM 0 HG22 ILE A 44 -0.217 5.345 1.491 1.00 1.30 H new ATOM 0 HG23 ILE A 44 0.450 4.094 2.567 1.00 1.30 H new ATOM 0 HD11 ILE A 44 -1.924 0.548 1.885 1.00 41.33 H new ATOM 0 HD12 ILE A 44 -2.537 1.814 0.795 1.00 41.33 H new ATOM 0 HD13 ILE A 44 -0.789 1.670 1.097 1.00 41.33 H new ATOM 662 N GLU A 45 -2.953 6.996 2.654 1.00 21.21 N ATOM 663 CA GLU A 45 -3.030 8.372 2.125 1.00 44.15 C ATOM 664 C GLU A 45 -2.785 9.455 3.207 1.00 42.41 C ATOM 665 O GLU A 45 -2.111 10.466 2.959 1.00 53.21 O ATOM 666 CB GLU A 45 -4.426 8.577 1.477 1.00 54.21 C ATOM 667 CG GLU A 45 -4.685 9.956 0.841 1.00 43.13 C ATOM 668 CD GLU A 45 -3.854 10.207 -0.429 1.00 22.44 C ATOM 669 OE1 GLU A 45 -2.615 10.364 -0.335 1.00 41.44 O ATOM 670 OE2 GLU A 45 -4.435 10.253 -1.518 1.00 32.14 O ATOM 0 H GLU A 45 -3.827 6.482 2.544 1.00 21.21 H new ATOM 0 HA GLU A 45 -2.235 8.489 1.388 1.00 44.15 H new ATOM 0 HB2 GLU A 45 -4.563 7.815 0.710 1.00 54.21 H new ATOM 0 HB3 GLU A 45 -5.186 8.403 2.239 1.00 54.21 H new ATOM 0 HG2 GLU A 45 -5.744 10.043 0.597 1.00 43.13 H new ATOM 0 HG3 GLU A 45 -4.462 10.733 1.572 1.00 43.13 H new ATOM 677 N GLU A 46 -3.356 9.245 4.401 1.00 52.02 N ATOM 678 CA GLU A 46 -3.205 10.195 5.527 1.00 54.13 C ATOM 679 C GLU A 46 -1.804 10.070 6.184 1.00 3.10 C ATOM 680 O GLU A 46 -1.254 11.062 6.680 1.00 52.44 O ATOM 681 CB GLU A 46 -4.379 10.021 6.534 1.00 3.33 C ATOM 682 CG GLU A 46 -4.388 8.734 7.410 1.00 32.51 C ATOM 683 CD GLU A 46 -3.725 8.916 8.790 1.00 50.30 C ATOM 684 OE1 GLU A 46 -4.168 9.808 9.555 1.00 75.43 O ATOM 685 OE2 GLU A 46 -2.759 8.193 9.114 1.00 33.32 O ATOM 0 H GLU A 46 -3.927 8.428 4.618 1.00 52.02 H new ATOM 0 HA GLU A 46 -3.262 11.215 5.148 1.00 54.13 H new ATOM 0 HB2 GLU A 46 -4.380 10.883 7.202 1.00 3.33 H new ATOM 0 HB3 GLU A 46 -5.312 10.052 5.972 1.00 3.33 H new ATOM 0 HG2 GLU A 46 -5.419 8.410 7.552 1.00 32.51 H new ATOM 0 HG3 GLU A 46 -3.875 7.937 6.873 1.00 32.51 H new ATOM 692 N CYS A 47 -1.242 8.843 6.169 1.00 74.14 N ATOM 693 CA CYS A 47 0.126 8.565 6.671 1.00 22.41 C ATOM 694 C CYS A 47 1.219 9.235 5.802 1.00 21.34 C ATOM 695 O CYS A 47 2.108 9.923 6.323 1.00 52.23 O ATOM 696 CB CYS A 47 0.372 7.035 6.748 1.00 43.13 C ATOM 697 SG CYS A 47 -0.701 6.159 7.911 1.00 75.31 S ATOM 0 H CYS A 47 -1.720 8.017 5.810 1.00 74.14 H new ATOM 0 HA CYS A 47 0.194 8.995 7.670 1.00 22.41 H new ATOM 0 HB2 CYS A 47 0.235 6.608 5.755 1.00 43.13 H new ATOM 0 HB3 CYS A 47 1.410 6.861 7.030 1.00 43.13 H new ATOM 0 HG CYS A 47 -1.855 5.939 7.355 1.00 75.31 H new ATOM 703 N ILE A 48 1.122 9.045 4.470 1.00 72.44 N ATOM 704 CA ILE A 48 2.122 9.562 3.505 1.00 35.41 C ATOM 705 C ILE A 48 2.123 11.121 3.452 1.00 35.21 C ATOM 706 O ILE A 48 3.177 11.742 3.307 1.00 11.12 O ATOM 707 CB ILE A 48 1.889 8.937 2.065 1.00 11.23 C ATOM 708 CG1 ILE A 48 3.080 9.249 1.097 1.00 35.24 C ATOM 709 CG2 ILE A 48 0.544 9.398 1.445 1.00 64.42 C ATOM 710 CD1 ILE A 48 2.969 8.602 -0.277 1.00 41.41 C ATOM 0 H ILE A 48 0.356 8.533 4.033 1.00 72.44 H new ATOM 0 HA ILE A 48 3.107 9.253 3.854 1.00 35.41 H new ATOM 0 HB ILE A 48 1.840 7.856 2.199 1.00 11.23 H new ATOM 0 HG12 ILE A 48 3.154 10.329 0.970 1.00 35.24 H new ATOM 0 HG13 ILE A 48 4.007 8.919 1.565 1.00 35.24 H new ATOM 0 HG21 ILE A 48 0.424 8.947 0.460 1.00 64.42 H new ATOM 0 HG22 ILE A 48 -0.279 9.087 2.089 1.00 64.42 H new ATOM 0 HG23 ILE A 48 0.540 10.484 1.350 1.00 64.42 H new ATOM 0 HD11 ILE A 48 3.837 8.873 -0.878 1.00 41.41 H new ATOM 0 HD12 ILE A 48 2.928 7.518 -0.167 1.00 41.41 H new ATOM 0 HD13 ILE A 48 2.062 8.951 -0.771 1.00 41.41 H new ATOM 722 N PHE A 49 0.939 11.739 3.648 1.00 34.35 N ATOM 723 CA PHE A 49 0.751 13.207 3.519 1.00 30.33 C ATOM 724 C PHE A 49 1.512 14.028 4.601 1.00 61.31 C ATOM 725 O PHE A 49 1.841 15.194 4.380 1.00 41.31 O ATOM 726 CB PHE A 49 -0.760 13.548 3.558 1.00 11.14 C ATOM 727 CG PHE A 49 -1.079 15.015 3.239 1.00 12.42 C ATOM 728 CD1 PHE A 49 -0.881 15.519 1.950 1.00 22.45 C ATOM 729 CD2 PHE A 49 -1.559 15.888 4.218 1.00 24.20 C ATOM 730 CE1 PHE A 49 -1.146 16.840 1.653 1.00 24.42 C ATOM 731 CE2 PHE A 49 -1.827 17.210 3.919 1.00 21.32 C ATOM 732 CZ PHE A 49 -1.621 17.686 2.636 1.00 34.24 C ATOM 0 H PHE A 49 0.086 11.239 3.900 1.00 34.35 H new ATOM 0 HA PHE A 49 1.179 13.494 2.558 1.00 30.33 H new ATOM 0 HB2 PHE A 49 -1.284 12.910 2.846 1.00 11.14 H new ATOM 0 HB3 PHE A 49 -1.150 13.309 4.547 1.00 11.14 H new ATOM 0 HD1 PHE A 49 -0.515 14.863 1.174 1.00 22.45 H new ATOM 0 HD2 PHE A 49 -1.723 15.525 5.222 1.00 24.20 H new ATOM 0 HE1 PHE A 49 -0.982 17.212 0.653 1.00 24.42 H new ATOM 0 HE2 PHE A 49 -2.198 17.872 4.687 1.00 21.32 H new ATOM 0 HZ PHE A 49 -1.832 18.719 2.403 1.00 34.24 H new ATOM 742 N ARG A 50 1.782 13.429 5.767 1.00 21.43 N ATOM 743 CA ARG A 50 2.453 14.136 6.884 1.00 42.14 C ATOM 744 C ARG A 50 3.931 14.499 6.555 1.00 12.21 C ATOM 745 O ARG A 50 4.351 15.652 6.728 1.00 42.31 O ATOM 746 CB ARG A 50 2.343 13.297 8.187 1.00 11.45 C ATOM 747 CG ARG A 50 0.906 13.240 8.758 1.00 54.42 C ATOM 748 CD ARG A 50 0.795 12.493 10.106 1.00 63.23 C ATOM 749 NE ARG A 50 0.886 11.025 9.964 1.00 74.03 N ATOM 750 CZ ARG A 50 -0.139 10.195 10.007 1.00 43.45 C ATOM 751 NH1 ARG A 50 -1.352 10.631 10.124 1.00 61.10 N ATOM 752 NH2 ARG A 50 0.054 8.922 9.923 1.00 14.32 N ATOM 0 H ARG A 50 1.549 12.457 5.969 1.00 21.43 H new ATOM 0 HA ARG A 50 1.938 15.084 7.037 1.00 42.14 H new ATOM 0 HB2 ARG A 50 2.688 12.282 7.988 1.00 11.45 H new ATOM 0 HB3 ARG A 50 3.009 13.718 8.940 1.00 11.45 H new ATOM 0 HG2 ARG A 50 0.536 14.257 8.887 1.00 54.42 H new ATOM 0 HG3 ARG A 50 0.256 12.754 8.030 1.00 54.42 H new ATOM 0 HD2 ARG A 50 1.586 12.837 10.772 1.00 63.23 H new ATOM 0 HD3 ARG A 50 -0.153 12.748 10.579 1.00 63.23 H new ATOM 0 HE ARG A 50 1.812 10.622 9.822 1.00 74.03 H new ATOM 0 HH11 ARG A 50 -1.530 11.634 10.185 1.00 61.10 H new ATOM 0 HH12 ARG A 50 -2.130 9.972 10.155 1.00 61.10 H new ATOM 0 HH21 ARG A 50 1.001 8.555 9.823 1.00 14.32 H new ATOM 0 HH22 ARG A 50 -0.740 8.283 9.957 1.00 14.32 H new ATOM 766 N ASP A 51 4.701 13.516 6.078 1.00 63.12 N ATOM 767 CA ASP A 51 6.134 13.704 5.726 1.00 23.02 C ATOM 768 C ASP A 51 6.330 14.155 4.254 1.00 53.22 C ATOM 769 O ASP A 51 7.152 15.031 3.958 1.00 43.22 O ATOM 770 CB ASP A 51 6.893 12.383 5.989 1.00 54.14 C ATOM 771 CG ASP A 51 6.833 11.966 7.469 1.00 71.14 C ATOM 772 OD1 ASP A 51 5.756 11.524 7.930 1.00 71.32 O ATOM 773 OD2 ASP A 51 7.849 12.111 8.187 1.00 41.43 O ATOM 0 H ASP A 51 4.361 12.567 5.921 1.00 63.12 H new ATOM 0 HA ASP A 51 6.534 14.502 6.352 1.00 23.02 H new ATOM 0 HB2 ASP A 51 6.467 11.592 5.372 1.00 54.14 H new ATOM 0 HB3 ASP A 51 7.934 12.497 5.687 1.00 54.14 H new ATOM 778 N VAL A 52 5.561 13.541 3.348 1.00 22.41 N ATOM 779 CA VAL A 52 5.719 13.703 1.874 1.00 35.55 C ATOM 780 C VAL A 52 4.799 14.823 1.298 1.00 44.02 C ATOM 781 O VAL A 52 4.964 15.247 0.142 1.00 12.03 O ATOM 782 CB VAL A 52 5.436 12.323 1.157 1.00 4.31 C ATOM 783 CG1 VAL A 52 5.758 12.362 -0.340 1.00 52.30 C ATOM 784 CG2 VAL A 52 6.213 11.177 1.826 1.00 60.22 C ATOM 0 H VAL A 52 4.802 12.910 3.605 1.00 22.41 H new ATOM 0 HA VAL A 52 6.746 14.012 1.680 1.00 35.55 H new ATOM 0 HB VAL A 52 4.367 12.140 1.263 1.00 4.31 H new ATOM 0 HG11 VAL A 52 5.546 11.389 -0.783 1.00 52.30 H new ATOM 0 HG12 VAL A 52 5.146 13.123 -0.824 1.00 52.30 H new ATOM 0 HG13 VAL A 52 6.812 12.602 -0.479 1.00 52.30 H new ATOM 0 HG21 VAL A 52 5.997 10.241 1.310 1.00 60.22 H new ATOM 0 HG22 VAL A 52 7.282 11.383 1.773 1.00 60.22 H new ATOM 0 HG23 VAL A 52 5.911 11.094 2.870 1.00 60.22 H new ATOM 794 N GLY A 53 3.850 15.313 2.124 1.00 32.44 N ATOM 795 CA GLY A 53 2.813 16.272 1.688 1.00 72.43 C ATOM 796 C GLY A 53 3.275 17.707 1.373 1.00 72.02 C ATOM 797 O GLY A 53 2.493 18.648 1.521 1.00 31.32 O ATOM 0 H GLY A 53 3.781 15.056 3.109 1.00 32.44 H new ATOM 0 HA2 GLY A 53 2.331 15.868 0.798 1.00 72.43 H new ATOM 0 HA3 GLY A 53 2.052 16.325 2.466 1.00 72.43 H new ATOM 801 N ASN A 54 4.539 17.882 0.935 1.00 72.01 N ATOM 802 CA ASN A 54 4.983 19.106 0.220 1.00 25.14 C ATOM 803 C ASN A 54 4.258 19.237 -1.150 1.00 40.21 C ATOM 804 O ASN A 54 4.192 20.325 -1.720 1.00 51.35 O ATOM 805 CB ASN A 54 6.533 19.110 0.041 1.00 54.55 C ATOM 806 CG ASN A 54 7.115 17.890 -0.711 1.00 43.44 C ATOM 807 OD1 ASN A 54 6.506 17.307 -1.605 1.00 24.14 O ATOM 808 ND2 ASN A 54 8.316 17.493 -0.350 1.00 4.43 N ATOM 0 H ASN A 54 5.277 17.189 1.063 1.00 72.01 H new ATOM 0 HA ASN A 54 4.715 19.973 0.824 1.00 25.14 H new ATOM 0 HB2 ASN A 54 6.818 20.016 -0.494 1.00 54.55 H new ATOM 0 HB3 ASN A 54 6.996 19.163 1.026 1.00 54.55 H new ATOM 0 HD21 ASN A 54 8.750 16.695 -0.813 1.00 4.43 H new ATOM 0 HD22 ASN A 54 8.813 17.984 0.393 1.00 4.43 H new ATOM 815 N THR A 55 3.758 18.071 -1.650 1.00 72.11 N ATOM 816 CA THR A 55 2.927 17.904 -2.878 1.00 54.24 C ATOM 817 C THR A 55 3.510 18.596 -4.140 1.00 31.35 C ATOM 818 O THR A 55 2.790 18.971 -5.066 1.00 21.01 O ATOM 819 CB THR A 55 1.405 18.258 -2.632 1.00 64.33 C ATOM 820 OG1 THR A 55 0.608 17.731 -3.705 1.00 41.02 O ATOM 821 CG2 THR A 55 1.122 19.773 -2.482 1.00 14.33 C ATOM 0 H THR A 55 3.932 17.180 -1.185 1.00 72.11 H new ATOM 0 HA THR A 55 2.968 16.838 -3.104 1.00 54.24 H new ATOM 0 HB THR A 55 1.139 17.799 -1.680 1.00 64.33 H new ATOM 0 HG1 THR A 55 1.014 17.973 -4.563 1.00 41.02 H new ATOM 0 HG21 THR A 55 0.056 19.929 -2.316 1.00 14.33 H new ATOM 0 HG22 THR A 55 1.683 20.166 -1.634 1.00 14.33 H new ATOM 0 HG23 THR A 55 1.428 20.292 -3.390 1.00 14.33 H new ATOM 829 N ASP A 56 4.847 18.692 -4.188 1.00 12.41 N ATOM 830 CA ASP A 56 5.576 19.293 -5.325 1.00 32.12 C ATOM 831 C ASP A 56 6.012 18.193 -6.344 1.00 42.44 C ATOM 832 O ASP A 56 5.318 17.943 -7.338 1.00 71.02 O ATOM 833 CB ASP A 56 6.785 20.112 -4.784 1.00 52.02 C ATOM 834 CG ASP A 56 7.604 20.804 -5.887 1.00 32.45 C ATOM 835 OD1 ASP A 56 7.104 21.786 -6.479 1.00 25.21 O ATOM 836 OD2 ASP A 56 8.728 20.348 -6.189 1.00 12.05 O ATOM 0 H ASP A 56 5.457 18.357 -3.442 1.00 12.41 H new ATOM 0 HA ASP A 56 4.920 19.975 -5.866 1.00 32.12 H new ATOM 0 HB2 ASP A 56 6.419 20.866 -4.087 1.00 52.02 H new ATOM 0 HB3 ASP A 56 7.440 19.448 -4.220 1.00 52.02 H new ATOM 841 N MET A 57 7.146 17.523 -6.064 1.00 64.20 N ATOM 842 CA MET A 57 7.732 16.462 -6.930 1.00 35.15 C ATOM 843 C MET A 57 7.803 15.126 -6.162 1.00 12.02 C ATOM 844 O MET A 57 7.458 14.059 -6.695 1.00 61.32 O ATOM 845 CB MET A 57 9.159 16.901 -7.373 1.00 31.32 C ATOM 846 CG MET A 57 9.940 15.874 -8.216 1.00 31.32 C ATOM 847 SD MET A 57 11.643 16.391 -8.548 1.00 32.03 S ATOM 848 CE MET A 57 12.308 16.573 -6.887 1.00 24.00 C ATOM 0 H MET A 57 7.694 17.700 -5.222 1.00 64.20 H new ATOM 0 HA MET A 57 7.103 16.320 -7.809 1.00 35.15 H new ATOM 0 HB2 MET A 57 9.074 17.825 -7.945 1.00 31.32 H new ATOM 0 HB3 MET A 57 9.742 17.131 -6.481 1.00 31.32 H new ATOM 0 HG2 MET A 57 9.951 14.916 -7.696 1.00 31.32 H new ATOM 0 HG3 MET A 57 9.421 15.717 -9.162 1.00 31.32 H new ATOM 0 HE1 MET A 57 13.394 16.481 -6.918 1.00 24.00 H new ATOM 0 HE2 MET A 57 12.038 17.552 -6.492 1.00 24.00 H new ATOM 0 HE3 MET A 57 11.896 15.796 -6.243 1.00 24.00 H new ATOM 858 N LYS A 58 8.253 15.229 -4.896 1.00 60.45 N ATOM 859 CA LYS A 58 8.451 14.096 -3.964 1.00 1.21 C ATOM 860 C LYS A 58 7.194 13.217 -3.839 1.00 62.52 C ATOM 861 O LYS A 58 7.271 11.996 -3.915 1.00 44.33 O ATOM 862 CB LYS A 58 8.829 14.657 -2.565 1.00 14.12 C ATOM 863 CG LYS A 58 9.207 13.593 -1.511 1.00 25.51 C ATOM 864 CD LYS A 58 9.408 14.191 -0.095 1.00 35.10 C ATOM 865 CE LYS A 58 10.097 13.212 0.868 1.00 65.11 C ATOM 866 NZ LYS A 58 11.469 12.859 0.409 1.00 2.24 N ATOM 0 H LYS A 58 8.496 16.128 -4.479 1.00 60.45 H new ATOM 0 HA LYS A 58 9.249 13.469 -4.361 1.00 1.21 H new ATOM 0 HB2 LYS A 58 9.667 15.344 -2.681 1.00 14.12 H new ATOM 0 HB3 LYS A 58 7.989 15.239 -2.185 1.00 14.12 H new ATOM 0 HG2 LYS A 58 8.426 12.834 -1.472 1.00 25.51 H new ATOM 0 HG3 LYS A 58 10.123 13.091 -1.821 1.00 25.51 H new ATOM 0 HD2 LYS A 58 10.004 15.101 -0.170 1.00 35.10 H new ATOM 0 HD3 LYS A 58 8.440 14.477 0.315 1.00 35.10 H new ATOM 0 HE2 LYS A 58 10.149 13.656 1.862 1.00 65.11 H new ATOM 0 HE3 LYS A 58 9.498 12.305 0.955 1.00 65.11 H new ATOM 0 HZ1 LYS A 58 12.014 12.474 1.207 1.00 2.24 H new ATOM 0 HZ2 LYS A 58 11.410 12.146 -0.346 1.00 2.24 H new ATOM 0 HZ3 LYS A 58 11.943 13.710 0.045 1.00 2.24 H new ATOM 880 N TYR A 59 6.043 13.886 -3.657 1.00 21.34 N ATOM 881 CA TYR A 59 4.728 13.241 -3.462 1.00 32.03 C ATOM 882 C TYR A 59 4.352 12.329 -4.646 1.00 71.10 C ATOM 883 O TYR A 59 4.054 11.159 -4.440 1.00 61.03 O ATOM 884 CB TYR A 59 3.678 14.344 -3.203 1.00 32.30 C ATOM 885 CG TYR A 59 2.289 13.888 -2.703 1.00 4.31 C ATOM 886 CD1 TYR A 59 1.279 13.484 -3.585 1.00 52.24 C ATOM 887 CD2 TYR A 59 1.977 13.910 -1.336 1.00 45.22 C ATOM 888 CE1 TYR A 59 0.026 13.132 -3.127 1.00 32.12 C ATOM 889 CE2 TYR A 59 0.727 13.548 -0.877 1.00 54.12 C ATOM 890 CZ TYR A 59 -0.245 13.161 -1.774 1.00 51.25 C ATOM 891 OH TYR A 59 -1.501 12.834 -1.321 1.00 75.50 O ATOM 0 H TYR A 59 5.996 14.905 -3.641 1.00 21.34 H new ATOM 0 HA TYR A 59 4.768 12.580 -2.596 1.00 32.03 H new ATOM 0 HB2 TYR A 59 4.090 15.039 -2.471 1.00 32.30 H new ATOM 0 HB3 TYR A 59 3.538 14.902 -4.129 1.00 32.30 H new ATOM 0 HD1 TYR A 59 1.485 13.447 -4.645 1.00 52.24 H new ATOM 0 HD2 TYR A 59 2.732 14.217 -0.627 1.00 45.22 H new ATOM 0 HE1 TYR A 59 -0.741 12.834 -3.826 1.00 32.12 H new ATOM 0 HE2 TYR A 59 0.511 13.568 0.181 1.00 54.12 H new ATOM 0 HH TYR A 59 -1.511 11.897 -1.033 1.00 75.50 H new ATOM 901 N LYS A 60 4.438 12.869 -5.875 1.00 41.25 N ATOM 902 CA LYS A 60 4.117 12.127 -7.123 1.00 71.41 C ATOM 903 C LYS A 60 4.935 10.812 -7.249 1.00 53.42 C ATOM 904 O LYS A 60 4.370 9.731 -7.457 1.00 45.01 O ATOM 905 CB LYS A 60 4.361 13.024 -8.378 1.00 12.24 C ATOM 906 CG LYS A 60 3.266 14.078 -8.676 1.00 63.22 C ATOM 907 CD LYS A 60 3.253 15.281 -7.707 1.00 22.02 C ATOM 908 CE LYS A 60 2.185 16.320 -8.104 1.00 1.24 C ATOM 909 NZ LYS A 60 2.239 17.547 -7.273 1.00 73.31 N ATOM 0 H LYS A 60 4.731 13.832 -6.039 1.00 41.25 H new ATOM 0 HA LYS A 60 3.061 11.860 -7.070 1.00 71.41 H new ATOM 0 HB2 LYS A 60 5.312 13.541 -8.252 1.00 12.24 H new ATOM 0 HB3 LYS A 60 4.463 12.377 -9.249 1.00 12.24 H new ATOM 0 HG2 LYS A 60 3.403 14.448 -9.692 1.00 63.22 H new ATOM 0 HG3 LYS A 60 2.292 13.590 -8.643 1.00 63.22 H new ATOM 0 HD2 LYS A 60 3.060 14.930 -6.693 1.00 22.02 H new ATOM 0 HD3 LYS A 60 4.235 15.753 -7.700 1.00 22.02 H new ATOM 0 HE2 LYS A 60 2.319 16.590 -9.151 1.00 1.24 H new ATOM 0 HE3 LYS A 60 1.196 15.870 -8.015 1.00 1.24 H new ATOM 0 HZ1 LYS A 60 1.281 17.939 -7.170 1.00 73.31 H new ATOM 0 HZ2 LYS A 60 2.621 17.314 -6.334 1.00 73.31 H new ATOM 0 HZ3 LYS A 60 2.853 18.250 -7.731 1.00 73.31 H new ATOM 923 N ASN A 61 6.262 10.932 -7.083 1.00 42.45 N ATOM 924 CA ASN A 61 7.210 9.810 -7.268 1.00 13.23 C ATOM 925 C ASN A 61 7.134 8.779 -6.116 1.00 74.10 C ATOM 926 O ASN A 61 7.311 7.583 -6.345 1.00 12.03 O ATOM 927 CB ASN A 61 8.653 10.360 -7.402 1.00 74.53 C ATOM 928 CG ASN A 61 8.818 11.361 -8.556 1.00 11.42 C ATOM 929 OD1 ASN A 61 8.119 11.296 -9.563 1.00 40.42 O ATOM 930 ND2 ASN A 61 9.751 12.288 -8.427 1.00 4.00 N ATOM 0 H ASN A 61 6.713 11.808 -6.817 1.00 42.45 H new ATOM 0 HA ASN A 61 6.928 9.288 -8.182 1.00 13.23 H new ATOM 0 HB2 ASN A 61 8.938 10.843 -6.468 1.00 74.53 H new ATOM 0 HB3 ASN A 61 9.339 9.527 -7.552 1.00 74.53 H new ATOM 0 HD21 ASN A 61 9.901 12.967 -9.173 1.00 4.00 H new ATOM 0 HD22 ASN A 61 10.321 12.324 -7.582 1.00 4.00 H new ATOM 937 N ARG A 62 6.871 9.257 -4.883 1.00 42.54 N ATOM 938 CA ARG A 62 6.749 8.396 -3.678 1.00 24.42 C ATOM 939 C ARG A 62 5.485 7.510 -3.750 1.00 64.51 C ATOM 940 O ARG A 62 5.493 6.352 -3.307 1.00 51.22 O ATOM 941 CB ARG A 62 6.734 9.275 -2.396 1.00 44.20 C ATOM 942 CG ARG A 62 6.695 8.512 -1.051 1.00 31.55 C ATOM 943 CD ARG A 62 7.890 7.559 -0.849 1.00 31.54 C ATOM 944 NE ARG A 62 7.871 6.957 0.499 1.00 33.02 N ATOM 945 CZ ARG A 62 7.844 5.671 0.776 1.00 0.43 C ATOM 946 NH1 ARG A 62 7.800 4.773 -0.162 1.00 15.43 N ATOM 947 NH2 ARG A 62 7.852 5.289 2.010 1.00 1.34 N ATOM 0 H ARG A 62 6.736 10.249 -4.689 1.00 42.54 H new ATOM 0 HA ARG A 62 7.614 7.733 -3.640 1.00 24.42 H new ATOM 0 HB2 ARG A 62 7.619 9.911 -2.405 1.00 44.20 H new ATOM 0 HB3 ARG A 62 5.868 9.935 -2.442 1.00 44.20 H new ATOM 0 HG2 ARG A 62 6.674 9.233 -0.234 1.00 31.55 H new ATOM 0 HG3 ARG A 62 5.770 7.939 -0.994 1.00 31.55 H new ATOM 0 HD2 ARG A 62 7.862 6.772 -1.602 1.00 31.54 H new ATOM 0 HD3 ARG A 62 8.822 8.105 -0.993 1.00 31.54 H new ATOM 0 HE ARG A 62 7.880 7.599 1.291 1.00 33.02 H new ATOM 0 HH11 ARG A 62 7.786 5.059 -1.141 1.00 15.43 H new ATOM 0 HH12 ARG A 62 7.780 3.783 0.081 1.00 15.43 H new ATOM 0 HH21 ARG A 62 7.879 5.982 2.758 1.00 1.34 H new ATOM 0 HH22 ARG A 62 7.831 4.295 2.236 1.00 1.34 H new ATOM 961 N VAL A 63 4.406 8.073 -4.320 1.00 52.31 N ATOM 962 CA VAL A 63 3.171 7.325 -4.615 1.00 25.02 C ATOM 963 C VAL A 63 3.430 6.234 -5.687 1.00 72.04 C ATOM 964 O VAL A 63 3.003 5.096 -5.517 1.00 53.42 O ATOM 965 CB VAL A 63 2.011 8.291 -5.064 1.00 43.04 C ATOM 966 CG1 VAL A 63 0.739 7.517 -5.475 1.00 54.43 C ATOM 967 CG2 VAL A 63 1.678 9.300 -3.940 1.00 32.20 C ATOM 0 H VAL A 63 4.365 9.056 -4.589 1.00 52.31 H new ATOM 0 HA VAL A 63 2.853 6.831 -3.697 1.00 25.02 H new ATOM 0 HB VAL A 63 2.366 8.834 -5.940 1.00 43.04 H new ATOM 0 HG11 VAL A 63 -0.035 8.223 -5.777 1.00 54.43 H new ATOM 0 HG12 VAL A 63 0.970 6.853 -6.308 1.00 54.43 H new ATOM 0 HG13 VAL A 63 0.383 6.928 -4.630 1.00 54.43 H new ATOM 0 HG21 VAL A 63 0.874 9.959 -4.269 1.00 32.20 H new ATOM 0 HG22 VAL A 63 1.362 8.760 -3.048 1.00 32.20 H new ATOM 0 HG23 VAL A 63 2.563 9.894 -3.710 1.00 32.20 H new ATOM 977 N ARG A 64 4.168 6.588 -6.771 1.00 21.01 N ATOM 978 CA ARG A 64 4.559 5.615 -7.837 1.00 42.25 C ATOM 979 C ARG A 64 5.496 4.502 -7.290 1.00 53.32 C ATOM 980 O ARG A 64 5.444 3.358 -7.754 1.00 43.01 O ATOM 981 CB ARG A 64 5.238 6.331 -9.039 1.00 23.24 C ATOM 982 CG ARG A 64 4.345 7.362 -9.765 1.00 41.43 C ATOM 983 CD ARG A 64 4.920 7.816 -11.123 1.00 74.44 C ATOM 984 NE ARG A 64 6.236 8.471 -11.005 1.00 32.14 N ATOM 985 CZ ARG A 64 6.929 8.962 -12.014 1.00 30.22 C ATOM 986 NH1 ARG A 64 6.488 8.907 -13.229 1.00 52.54 N ATOM 987 NH2 ARG A 64 8.075 9.512 -11.796 1.00 73.11 N ATOM 0 H ARG A 64 4.506 7.537 -6.934 1.00 21.01 H new ATOM 0 HA ARG A 64 3.637 5.147 -8.183 1.00 42.25 H new ATOM 0 HB2 ARG A 64 6.136 6.835 -8.683 1.00 23.24 H new ATOM 0 HB3 ARG A 64 5.559 5.578 -9.759 1.00 23.24 H new ATOM 0 HG2 ARG A 64 3.357 6.930 -9.923 1.00 41.43 H new ATOM 0 HG3 ARG A 64 4.213 8.234 -9.124 1.00 41.43 H new ATOM 0 HD2 ARG A 64 5.009 6.951 -11.780 1.00 74.44 H new ATOM 0 HD3 ARG A 64 4.219 8.504 -11.595 1.00 74.44 H new ATOM 0 HE ARG A 64 6.641 8.550 -10.072 1.00 32.14 H new ATOM 0 HH11 ARG A 64 5.584 8.476 -13.425 1.00 52.54 H new ATOM 0 HH12 ARG A 64 7.044 9.294 -13.991 1.00 52.54 H new ATOM 0 HH21 ARG A 64 8.442 9.566 -10.846 1.00 73.11 H new ATOM 0 HH22 ARG A 64 8.614 9.893 -12.574 1.00 73.11 H new ATOM 1001 N SER A 65 6.346 4.863 -6.309 1.00 63.21 N ATOM 1002 CA SER A 65 7.222 3.904 -5.587 1.00 2.33 C ATOM 1003 C SER A 65 6.377 2.909 -4.769 1.00 63.35 C ATOM 1004 O SER A 65 6.668 1.716 -4.731 1.00 34.22 O ATOM 1005 CB SER A 65 8.205 4.666 -4.658 1.00 63.10 C ATOM 1006 OG SER A 65 9.001 3.781 -3.878 1.00 65.31 O ATOM 0 H SER A 65 6.449 5.827 -5.991 1.00 63.21 H new ATOM 0 HA SER A 65 7.799 3.344 -6.323 1.00 2.33 H new ATOM 0 HB2 SER A 65 8.854 5.301 -5.261 1.00 63.10 H new ATOM 0 HB3 SER A 65 7.641 5.324 -3.997 1.00 63.10 H new ATOM 0 HG SER A 65 9.606 4.301 -3.309 1.00 65.31 H new ATOM 1012 N ARG A 66 5.312 3.427 -4.125 1.00 61.11 N ATOM 1013 CA ARG A 66 4.333 2.607 -3.382 1.00 12.22 C ATOM 1014 C ARG A 66 3.608 1.609 -4.326 1.00 43.51 C ATOM 1015 O ARG A 66 3.515 0.419 -4.018 1.00 33.43 O ATOM 1016 CB ARG A 66 3.316 3.539 -2.650 1.00 65.32 C ATOM 1017 CG ARG A 66 2.159 2.845 -1.869 1.00 32.14 C ATOM 1018 CD ARG A 66 2.619 1.972 -0.690 1.00 32.32 C ATOM 1019 NE ARG A 66 3.242 0.711 -1.142 1.00 32.02 N ATOM 1020 CZ ARG A 66 4.180 0.064 -0.512 1.00 50.14 C ATOM 1021 NH1 ARG A 66 4.688 0.548 0.565 1.00 54.45 N ATOM 1022 NH2 ARG A 66 4.626 -1.060 -0.983 1.00 62.44 N ATOM 0 H ARG A 66 5.106 4.426 -4.105 1.00 61.11 H new ATOM 0 HA ARG A 66 4.862 2.015 -2.636 1.00 12.22 H new ATOM 0 HB2 ARG A 66 3.871 4.163 -1.950 1.00 65.32 H new ATOM 0 HB3 ARG A 66 2.874 4.206 -3.390 1.00 65.32 H new ATOM 0 HG2 ARG A 66 1.480 3.611 -1.494 1.00 32.14 H new ATOM 0 HG3 ARG A 66 1.590 2.226 -2.562 1.00 32.14 H new ATOM 0 HD2 ARG A 66 3.331 2.530 -0.082 1.00 32.32 H new ATOM 0 HD3 ARG A 66 1.765 1.745 -0.052 1.00 32.32 H new ATOM 0 HE ARG A 66 2.910 0.314 -2.021 1.00 32.02 H new ATOM 0 HH11 ARG A 66 4.356 1.441 0.929 1.00 54.45 H new ATOM 0 HH12 ARG A 66 5.423 0.039 1.056 1.00 54.45 H new ATOM 0 HH21 ARG A 66 4.242 -1.439 -1.849 1.00 62.44 H new ATOM 0 HH22 ARG A 66 5.361 -1.565 -0.488 1.00 62.44 H new ATOM 1036 N ILE A 67 3.145 2.113 -5.485 1.00 1.24 N ATOM 1037 CA ILE A 67 2.416 1.315 -6.503 1.00 31.23 C ATOM 1038 C ILE A 67 3.273 0.138 -7.039 1.00 12.12 C ATOM 1039 O ILE A 67 2.823 -1.010 -7.049 1.00 51.00 O ATOM 1040 CB ILE A 67 1.961 2.232 -7.708 1.00 21.43 C ATOM 1041 CG1 ILE A 67 0.991 3.357 -7.223 1.00 1.20 C ATOM 1042 CG2 ILE A 67 1.312 1.409 -8.855 1.00 62.24 C ATOM 1043 CD1 ILE A 67 0.648 4.387 -8.286 1.00 64.23 C ATOM 0 H ILE A 67 3.264 3.091 -5.748 1.00 1.24 H new ATOM 0 HA ILE A 67 1.537 0.898 -6.012 1.00 31.23 H new ATOM 0 HB ILE A 67 2.861 2.699 -8.109 1.00 21.43 H new ATOM 0 HG12 ILE A 67 0.069 2.897 -6.868 1.00 1.20 H new ATOM 0 HG13 ILE A 67 1.441 3.867 -6.371 1.00 1.20 H new ATOM 0 HG21 ILE A 67 1.015 2.080 -9.661 1.00 62.24 H new ATOM 0 HG22 ILE A 67 2.031 0.683 -9.234 1.00 62.24 H new ATOM 0 HG23 ILE A 67 0.434 0.886 -8.476 1.00 62.24 H new ATOM 0 HD11 ILE A 67 -0.029 5.131 -7.867 1.00 64.23 H new ATOM 0 HD12 ILE A 67 1.560 4.877 -8.625 1.00 64.23 H new ATOM 0 HD13 ILE A 67 0.166 3.893 -9.130 1.00 64.23 H new ATOM 1055 N SER A 68 4.511 0.448 -7.461 1.00 64.24 N ATOM 1056 CA SER A 68 5.442 -0.542 -8.062 1.00 74.20 C ATOM 1057 C SER A 68 5.885 -1.615 -7.034 1.00 33.31 C ATOM 1058 O SER A 68 5.944 -2.804 -7.355 1.00 12.13 O ATOM 1059 CB SER A 68 6.682 0.176 -8.648 1.00 54.44 C ATOM 1060 OG SER A 68 7.376 0.910 -7.645 1.00 35.54 O ATOM 0 H SER A 68 4.901 1.389 -7.398 1.00 64.24 H new ATOM 0 HA SER A 68 4.907 -1.052 -8.863 1.00 74.20 H new ATOM 0 HB2 SER A 68 7.353 -0.558 -9.094 1.00 54.44 H new ATOM 0 HB3 SER A 68 6.371 0.850 -9.446 1.00 54.44 H new ATOM 0 HG SER A 68 6.909 1.755 -7.476 1.00 35.54 H new ATOM 1066 N ASN A 69 6.195 -1.170 -5.799 1.00 35.51 N ATOM 1067 CA ASN A 69 6.490 -2.069 -4.651 1.00 24.22 C ATOM 1068 C ASN A 69 5.269 -2.942 -4.242 1.00 71.45 C ATOM 1069 O ASN A 69 5.435 -3.961 -3.567 1.00 42.33 O ATOM 1070 CB ASN A 69 7.017 -1.246 -3.444 1.00 64.03 C ATOM 1071 CG ASN A 69 8.442 -0.710 -3.656 1.00 53.42 C ATOM 1072 OD1 ASN A 69 9.282 -1.366 -4.256 1.00 0.22 O ATOM 1073 ND2 ASN A 69 8.716 0.491 -3.183 1.00 74.33 N ATOM 0 H ASN A 69 6.249 -0.179 -5.564 1.00 35.51 H new ATOM 0 HA ASN A 69 7.267 -2.761 -4.975 1.00 24.22 H new ATOM 0 HB2 ASN A 69 6.344 -0.409 -3.261 1.00 64.03 H new ATOM 0 HB3 ASN A 69 6.999 -1.870 -2.551 1.00 64.03 H new ATOM 0 HD21 ASN A 69 9.645 0.891 -3.315 1.00 74.33 H new ATOM 0 HD22 ASN A 69 7.999 1.019 -2.686 1.00 74.33 H new ATOM 1080 N LEU A 70 4.046 -2.500 -4.590 1.00 1.01 N ATOM 1081 CA LEU A 70 2.818 -3.327 -4.436 1.00 1.41 C ATOM 1082 C LEU A 70 2.608 -4.300 -5.633 1.00 73.53 C ATOM 1083 O LEU A 70 1.956 -5.325 -5.479 1.00 50.44 O ATOM 1084 CB LEU A 70 1.571 -2.417 -4.233 1.00 14.42 C ATOM 1085 CG LEU A 70 1.469 -1.713 -2.836 1.00 43.43 C ATOM 1086 CD1 LEU A 70 0.347 -0.652 -2.794 1.00 15.31 C ATOM 1087 CD2 LEU A 70 1.281 -2.744 -1.704 1.00 41.54 C ATOM 0 H LEU A 70 3.874 -1.574 -4.981 1.00 1.01 H new ATOM 0 HA LEU A 70 2.951 -3.944 -3.547 1.00 1.41 H new ATOM 0 HB2 LEU A 70 1.573 -1.650 -5.008 1.00 14.42 H new ATOM 0 HB3 LEU A 70 0.675 -3.019 -4.383 1.00 14.42 H new ATOM 0 HG LEU A 70 2.414 -1.193 -2.679 1.00 43.43 H new ATOM 0 HD11 LEU A 70 0.317 -0.193 -1.806 1.00 15.31 H new ATOM 0 HD12 LEU A 70 0.543 0.114 -3.544 1.00 15.31 H new ATOM 0 HD13 LEU A 70 -0.611 -1.127 -3.003 1.00 15.31 H new ATOM 0 HD21 LEU A 70 1.214 -2.226 -0.747 1.00 41.54 H new ATOM 0 HD22 LEU A 70 0.365 -3.310 -1.876 1.00 41.54 H new ATOM 0 HD23 LEU A 70 2.131 -3.426 -1.688 1.00 41.54 H new ATOM 1099 N LYS A 71 3.181 -3.992 -6.812 1.00 73.23 N ATOM 1100 CA LYS A 71 3.007 -4.827 -8.043 1.00 30.13 C ATOM 1101 C LYS A 71 4.265 -5.657 -8.415 1.00 12.21 C ATOM 1102 O LYS A 71 4.286 -6.304 -9.472 1.00 44.50 O ATOM 1103 CB LYS A 71 2.617 -3.922 -9.241 1.00 41.54 C ATOM 1104 CG LYS A 71 1.287 -3.162 -9.067 1.00 34.21 C ATOM 1105 CD LYS A 71 0.900 -2.368 -10.334 1.00 15.04 C ATOM 1106 CE LYS A 71 -0.401 -1.583 -10.161 1.00 32.05 C ATOM 1107 NZ LYS A 71 -0.826 -0.938 -11.431 1.00 14.11 N ATOM 0 H LYS A 71 3.772 -3.172 -6.950 1.00 73.23 H new ATOM 0 HA LYS A 71 2.213 -5.540 -7.820 1.00 30.13 H new ATOM 0 HB2 LYS A 71 3.415 -3.198 -9.407 1.00 41.54 H new ATOM 0 HB3 LYS A 71 2.554 -4.537 -10.138 1.00 41.54 H new ATOM 0 HG2 LYS A 71 0.494 -3.871 -8.828 1.00 34.21 H new ATOM 0 HG3 LYS A 71 1.369 -2.478 -8.222 1.00 34.21 H new ATOM 0 HD2 LYS A 71 1.705 -1.678 -10.586 1.00 15.04 H new ATOM 0 HD3 LYS A 71 0.796 -3.057 -11.172 1.00 15.04 H new ATOM 0 HE2 LYS A 71 -1.187 -2.253 -9.812 1.00 32.05 H new ATOM 0 HE3 LYS A 71 -0.267 -0.821 -9.393 1.00 32.05 H new ATOM 0 HZ1 LYS A 71 -1.711 -0.415 -11.275 1.00 14.11 H new ATOM 0 HZ2 LYS A 71 -0.087 -0.280 -11.751 1.00 14.11 H new ATOM 0 HZ3 LYS A 71 -0.978 -1.667 -12.157 1.00 14.11 H new ATOM 1121 N ASP A 72 5.301 -5.656 -7.555 1.00 3.15 N ATOM 1122 CA ASP A 72 6.583 -6.347 -7.855 1.00 5.34 C ATOM 1123 C ASP A 72 6.477 -7.888 -7.619 1.00 60.40 C ATOM 1124 O ASP A 72 6.241 -8.337 -6.499 1.00 53.41 O ATOM 1125 CB ASP A 72 7.719 -5.739 -6.993 1.00 52.53 C ATOM 1126 CG ASP A 72 9.116 -6.154 -7.482 1.00 43.11 C ATOM 1127 OD1 ASP A 72 9.521 -7.309 -7.245 1.00 72.01 O ATOM 1128 OD2 ASP A 72 9.812 -5.339 -8.120 1.00 61.42 O ATOM 0 H ASP A 72 5.282 -5.188 -6.649 1.00 3.15 H new ATOM 0 HA ASP A 72 6.812 -6.197 -8.910 1.00 5.34 H new ATOM 0 HB2 ASP A 72 7.640 -4.652 -7.009 1.00 52.53 H new ATOM 0 HB3 ASP A 72 7.592 -6.053 -5.957 1.00 52.53 H new ATOM 1133 N ALA A 73 6.740 -8.681 -8.669 1.00 74.04 N ATOM 1134 CA ALA A 73 6.534 -10.155 -8.659 1.00 10.44 C ATOM 1135 C ALA A 73 7.549 -10.945 -7.776 1.00 62.40 C ATOM 1136 O ALA A 73 7.351 -12.141 -7.547 1.00 63.45 O ATOM 1137 CB ALA A 73 6.572 -10.676 -10.105 1.00 72.44 C ATOM 0 H ALA A 73 7.102 -8.327 -9.554 1.00 74.04 H new ATOM 0 HA ALA A 73 5.560 -10.329 -8.202 1.00 10.44 H new ATOM 0 HB1 ALA A 73 6.422 -11.756 -10.107 1.00 72.44 H new ATOM 0 HB2 ALA A 73 5.782 -10.199 -10.685 1.00 72.44 H new ATOM 0 HB3 ALA A 73 7.539 -10.444 -10.550 1.00 72.44 H new ATOM 1143 N LYS A 74 8.619 -10.286 -7.277 1.00 55.02 N ATOM 1144 CA LYS A 74 9.712 -10.976 -6.533 1.00 22.52 C ATOM 1145 C LYS A 74 9.379 -11.167 -5.017 1.00 73.04 C ATOM 1146 O LYS A 74 9.948 -12.049 -4.359 1.00 60.13 O ATOM 1147 CB LYS A 74 11.056 -10.214 -6.729 1.00 52.41 C ATOM 1148 CG LYS A 74 12.333 -11.050 -6.473 1.00 72.24 C ATOM 1149 CD LYS A 74 12.429 -12.274 -7.415 1.00 62.15 C ATOM 1150 CE LYS A 74 13.684 -13.121 -7.169 1.00 74.21 C ATOM 1151 NZ LYS A 74 13.718 -14.329 -8.033 1.00 2.42 N ATOM 0 H LYS A 74 8.754 -9.280 -7.373 1.00 55.02 H new ATOM 0 HA LYS A 74 9.812 -11.978 -6.949 1.00 22.52 H new ATOM 0 HB2 LYS A 74 11.091 -9.830 -7.748 1.00 52.41 H new ATOM 0 HB3 LYS A 74 11.066 -9.352 -6.062 1.00 52.41 H new ATOM 0 HG2 LYS A 74 13.211 -10.419 -6.609 1.00 72.24 H new ATOM 0 HG3 LYS A 74 12.342 -11.389 -5.437 1.00 72.24 H new ATOM 0 HD2 LYS A 74 11.545 -12.898 -7.283 1.00 62.15 H new ATOM 0 HD3 LYS A 74 12.426 -11.931 -8.450 1.00 62.15 H new ATOM 0 HE2 LYS A 74 14.572 -12.517 -7.356 1.00 74.21 H new ATOM 0 HE3 LYS A 74 13.718 -13.423 -6.122 1.00 74.21 H new ATOM 0 HZ1 LYS A 74 14.582 -14.873 -7.835 1.00 2.42 H new ATOM 0 HZ2 LYS A 74 12.884 -14.919 -7.837 1.00 2.42 H new ATOM 0 HZ3 LYS A 74 13.711 -14.041 -9.032 1.00 2.42 H new ATOM 1165 N ASN A 75 8.451 -10.349 -4.477 1.00 61.44 N ATOM 1166 CA ASN A 75 7.909 -10.525 -3.097 1.00 74.11 C ATOM 1167 C ASN A 75 6.355 -10.477 -3.138 1.00 43.45 C ATOM 1168 O ASN A 75 5.768 -9.403 -3.011 1.00 32.54 O ATOM 1169 CB ASN A 75 8.488 -9.447 -2.119 1.00 51.32 C ATOM 1170 CG ASN A 75 8.093 -9.649 -0.634 1.00 43.41 C ATOM 1171 OD1 ASN A 75 7.012 -10.133 -0.299 1.00 45.34 O ATOM 1172 ND2 ASN A 75 8.981 -9.300 0.275 1.00 54.11 N ATOM 0 H ASN A 75 8.054 -9.552 -4.974 1.00 61.44 H new ATOM 0 HA ASN A 75 8.219 -11.499 -2.717 1.00 74.11 H new ATOM 0 HB2 ASN A 75 9.575 -9.451 -2.196 1.00 51.32 H new ATOM 0 HB3 ASN A 75 8.149 -8.463 -2.441 1.00 51.32 H new ATOM 0 HD21 ASN A 75 8.775 -9.430 1.265 1.00 54.11 H new ATOM 0 HD22 ASN A 75 9.874 -8.900 -0.012 1.00 54.11 H new ATOM 1179 N PRO A 76 5.663 -11.646 -3.342 1.00 31.44 N ATOM 1180 CA PRO A 76 4.179 -11.697 -3.422 1.00 21.10 C ATOM 1181 C PRO A 76 3.461 -11.702 -2.037 1.00 54.42 C ATOM 1182 O PRO A 76 2.302 -11.273 -1.925 1.00 52.44 O ATOM 1183 CB PRO A 76 3.937 -13.013 -4.200 1.00 21.21 C ATOM 1184 CG PRO A 76 5.069 -13.908 -3.785 1.00 75.35 C ATOM 1185 CD PRO A 76 6.266 -12.997 -3.538 1.00 72.31 C ATOM 0 HA PRO A 76 3.765 -10.808 -3.898 1.00 21.10 H new ATOM 0 HB2 PRO A 76 2.971 -13.451 -3.948 1.00 21.21 H new ATOM 0 HB3 PRO A 76 3.939 -12.844 -5.277 1.00 21.21 H new ATOM 0 HG2 PRO A 76 4.813 -14.467 -2.885 1.00 75.35 H new ATOM 0 HG3 PRO A 76 5.291 -14.640 -4.562 1.00 75.35 H new ATOM 0 HD2 PRO A 76 6.832 -13.312 -2.661 1.00 72.31 H new ATOM 0 HD3 PRO A 76 6.955 -13.007 -4.382 1.00 72.31 H new ATOM 1193 N ASP A 77 4.185 -12.156 -1.000 1.00 33.30 N ATOM 1194 CA ASP A 77 3.665 -12.357 0.374 1.00 60.04 C ATOM 1195 C ASP A 77 3.182 -11.032 1.012 1.00 43.24 C ATOM 1196 O ASP A 77 2.173 -11.011 1.727 1.00 24.42 O ATOM 1197 CB ASP A 77 4.806 -12.983 1.213 1.00 1.12 C ATOM 1198 CG ASP A 77 4.359 -13.702 2.488 1.00 20.22 C ATOM 1199 OD1 ASP A 77 4.285 -13.062 3.555 1.00 1.40 O ATOM 1200 OD2 ASP A 77 4.091 -14.930 2.421 1.00 71.11 O ATOM 0 H ASP A 77 5.171 -12.401 -1.090 1.00 33.30 H new ATOM 0 HA ASP A 77 2.796 -13.015 0.343 1.00 60.04 H new ATOM 0 HB2 ASP A 77 5.349 -13.691 0.587 1.00 1.12 H new ATOM 0 HB3 ASP A 77 5.508 -12.196 1.486 1.00 1.12 H new ATOM 1205 N LEU A 78 3.884 -9.940 0.656 1.00 32.25 N ATOM 1206 CA LEU A 78 3.721 -8.593 1.245 1.00 32.13 C ATOM 1207 C LEU A 78 2.252 -8.096 1.265 1.00 4.25 C ATOM 1208 O LEU A 78 1.719 -7.731 2.322 1.00 32.14 O ATOM 1209 CB LEU A 78 4.576 -7.602 0.403 1.00 14.42 C ATOM 1210 CG LEU A 78 4.510 -6.097 0.820 1.00 52.35 C ATOM 1211 CD1 LEU A 78 5.226 -5.857 2.169 1.00 35.11 C ATOM 1212 CD2 LEU A 78 5.066 -5.183 -0.297 1.00 53.33 C ATOM 0 H LEU A 78 4.601 -9.969 -0.069 1.00 32.25 H new ATOM 0 HA LEU A 78 4.044 -8.645 2.285 1.00 32.13 H new ATOM 0 HB2 LEU A 78 5.616 -7.924 0.450 1.00 14.42 H new ATOM 0 HB3 LEU A 78 4.264 -7.682 -0.638 1.00 14.42 H new ATOM 0 HG LEU A 78 3.462 -5.834 0.961 1.00 52.35 H new ATOM 0 HD11 LEU A 78 5.163 -4.801 2.432 1.00 35.11 H new ATOM 0 HD12 LEU A 78 4.748 -6.453 2.946 1.00 35.11 H new ATOM 0 HD13 LEU A 78 6.273 -6.147 2.082 1.00 35.11 H new ATOM 0 HD21 LEU A 78 5.007 -4.142 0.022 1.00 53.33 H new ATOM 0 HD22 LEU A 78 6.106 -5.443 -0.496 1.00 53.33 H new ATOM 0 HD23 LEU A 78 4.478 -5.318 -1.205 1.00 53.33 H new ATOM 1224 N ARG A 79 1.612 -8.115 0.088 1.00 33.44 N ATOM 1225 CA ARG A 79 0.311 -7.447 -0.128 1.00 32.24 C ATOM 1226 C ARG A 79 -0.834 -8.231 0.523 1.00 33.40 C ATOM 1227 O ARG A 79 -1.759 -7.626 1.044 1.00 22.41 O ATOM 1228 CB ARG A 79 0.001 -7.222 -1.638 1.00 42.13 C ATOM 1229 CG ARG A 79 1.109 -6.492 -2.438 1.00 72.22 C ATOM 1230 CD ARG A 79 2.248 -7.439 -2.848 1.00 2.40 C ATOM 1231 NE ARG A 79 3.431 -6.734 -3.351 1.00 63.44 N ATOM 1232 CZ ARG A 79 4.213 -7.172 -4.307 1.00 41.11 C ATOM 1233 NH1 ARG A 79 3.875 -8.196 -5.038 1.00 30.12 N ATOM 1234 NH2 ARG A 79 5.318 -6.561 -4.552 1.00 63.03 N ATOM 0 H ARG A 79 1.974 -8.589 -0.739 1.00 33.44 H new ATOM 0 HA ARG A 79 0.390 -6.469 0.348 1.00 32.24 H new ATOM 0 HB2 ARG A 79 -0.182 -8.191 -2.103 1.00 42.13 H new ATOM 0 HB3 ARG A 79 -0.922 -6.649 -1.721 1.00 42.13 H new ATOM 0 HG2 ARG A 79 0.674 -6.042 -3.330 1.00 72.22 H new ATOM 0 HG3 ARG A 79 1.514 -5.679 -1.836 1.00 72.22 H new ATOM 0 HD2 ARG A 79 2.533 -8.047 -1.990 1.00 2.40 H new ATOM 0 HD3 ARG A 79 1.886 -8.122 -3.616 1.00 2.40 H new ATOM 0 HE ARG A 79 3.662 -5.836 -2.925 1.00 63.44 H new ATOM 0 HH11 ARG A 79 2.988 -8.672 -4.871 1.00 30.12 H new ATOM 0 HH12 ARG A 79 4.497 -8.522 -5.778 1.00 30.12 H new ATOM 0 HH21 ARG A 79 5.580 -5.742 -4.004 1.00 63.03 H new ATOM 0 HH22 ARG A 79 5.932 -6.896 -5.294 1.00 63.03 H new ATOM 1248 N ARG A 80 -0.751 -9.581 0.498 1.00 32.42 N ATOM 1249 CA ARG A 80 -1.774 -10.454 1.120 1.00 23.31 C ATOM 1250 C ARG A 80 -1.864 -10.212 2.648 1.00 54.31 C ATOM 1251 O ARG A 80 -2.957 -10.241 3.215 1.00 73.20 O ATOM 1252 CB ARG A 80 -1.485 -11.951 0.817 1.00 71.22 C ATOM 1253 CG ARG A 80 -2.566 -12.932 1.342 1.00 61.23 C ATOM 1254 CD ARG A 80 -2.326 -14.382 0.890 1.00 50.53 C ATOM 1255 NE ARG A 80 -3.314 -15.315 1.456 1.00 24.32 N ATOM 1256 CZ ARG A 80 -3.194 -16.629 1.479 1.00 42.42 C ATOM 1257 NH1 ARG A 80 -2.168 -17.227 0.964 1.00 41.53 N ATOM 1258 NH2 ARG A 80 -4.128 -17.344 1.997 1.00 22.44 N ATOM 0 H ARG A 80 0.014 -10.090 0.054 1.00 32.42 H new ATOM 0 HA ARG A 80 -2.739 -10.197 0.682 1.00 23.31 H new ATOM 0 HB2 ARG A 80 -1.389 -12.079 -0.261 1.00 71.22 H new ATOM 0 HB3 ARG A 80 -0.524 -12.219 1.257 1.00 71.22 H new ATOM 0 HG2 ARG A 80 -2.586 -12.894 2.431 1.00 61.23 H new ATOM 0 HG3 ARG A 80 -3.546 -12.605 0.994 1.00 61.23 H new ATOM 0 HD2 ARG A 80 -2.364 -14.432 -0.198 1.00 50.53 H new ATOM 0 HD3 ARG A 80 -1.324 -14.692 1.188 1.00 50.53 H new ATOM 0 HE ARG A 80 -4.159 -14.914 1.863 1.00 24.32 H new ATOM 0 HH11 ARG A 80 -1.426 -16.681 0.526 1.00 41.53 H new ATOM 0 HH12 ARG A 80 -2.101 -18.244 0.996 1.00 41.53 H new ATOM 0 HH21 ARG A 80 -4.957 -16.895 2.388 1.00 22.44 H new ATOM 0 HH22 ARG A 80 -4.041 -18.360 2.017 1.00 22.44 H new ATOM 1272 N ASN A 81 -0.703 -9.959 3.295 1.00 12.13 N ATOM 1273 CA ASN A 81 -0.666 -9.549 4.722 1.00 55.45 C ATOM 1274 C ASN A 81 -1.341 -8.168 4.963 1.00 3.24 C ATOM 1275 O ASN A 81 -1.977 -7.965 5.997 1.00 72.12 O ATOM 1276 CB ASN A 81 0.777 -9.551 5.283 1.00 23.51 C ATOM 1277 CG ASN A 81 1.361 -10.957 5.414 1.00 73.13 C ATOM 1278 OD1 ASN A 81 1.094 -11.665 6.378 1.00 3.24 O ATOM 1279 ND2 ASN A 81 2.172 -11.366 4.476 1.00 51.13 N ATOM 0 H ASN A 81 0.216 -10.030 2.857 1.00 12.13 H new ATOM 0 HA ASN A 81 -1.245 -10.296 5.265 1.00 55.45 H new ATOM 0 HB2 ASN A 81 1.416 -8.957 4.630 1.00 23.51 H new ATOM 0 HB3 ASN A 81 0.782 -9.068 6.260 1.00 23.51 H new ATOM 0 HD21 ASN A 81 2.597 -12.291 4.537 1.00 51.13 H new ATOM 0 HD22 ASN A 81 2.380 -10.760 3.682 1.00 51.13 H new ATOM 1286 N VAL A 82 -1.205 -7.229 4.007 1.00 14.13 N ATOM 1287 CA VAL A 82 -1.895 -5.910 4.081 1.00 53.33 C ATOM 1288 C VAL A 82 -3.433 -6.082 3.906 1.00 12.42 C ATOM 1289 O VAL A 82 -4.235 -5.453 4.609 1.00 4.33 O ATOM 1290 CB VAL A 82 -1.340 -4.898 3.002 1.00 62.54 C ATOM 1291 CG1 VAL A 82 -1.983 -3.494 3.143 1.00 62.11 C ATOM 1292 CG2 VAL A 82 0.203 -4.803 3.064 1.00 3.15 C ATOM 0 H VAL A 82 -0.628 -7.351 3.175 1.00 14.13 H new ATOM 0 HA VAL A 82 -1.692 -5.495 5.068 1.00 53.33 H new ATOM 0 HB VAL A 82 -1.618 -5.290 2.024 1.00 62.54 H new ATOM 0 HG11 VAL A 82 -1.574 -2.829 2.383 1.00 62.11 H new ATOM 0 HG12 VAL A 82 -3.062 -3.573 3.013 1.00 62.11 H new ATOM 0 HG13 VAL A 82 -1.765 -3.092 4.132 1.00 62.11 H new ATOM 0 HG21 VAL A 82 0.555 -4.099 2.310 1.00 3.15 H new ATOM 0 HG22 VAL A 82 0.507 -4.458 4.052 1.00 3.15 H new ATOM 0 HG23 VAL A 82 0.636 -5.785 2.874 1.00 3.15 H new ATOM 1302 N LEU A 83 -3.812 -6.982 2.981 1.00 61.32 N ATOM 1303 CA LEU A 83 -5.225 -7.256 2.623 1.00 63.15 C ATOM 1304 C LEU A 83 -5.922 -8.191 3.653 1.00 22.32 C ATOM 1305 O LEU A 83 -7.149 -8.309 3.649 1.00 13.34 O ATOM 1306 CB LEU A 83 -5.290 -7.854 1.186 1.00 53.04 C ATOM 1307 CG LEU A 83 -4.666 -6.962 0.051 1.00 60.15 C ATOM 1308 CD1 LEU A 83 -4.738 -7.652 -1.334 1.00 1.22 C ATOM 1309 CD2 LEU A 83 -5.314 -5.557 0.017 1.00 34.13 C ATOM 0 H LEU A 83 -3.145 -7.546 2.454 1.00 61.32 H new ATOM 0 HA LEU A 83 -5.771 -6.313 2.646 1.00 63.15 H new ATOM 0 HB2 LEU A 83 -4.779 -8.817 1.189 1.00 53.04 H new ATOM 0 HB3 LEU A 83 -6.334 -8.048 0.939 1.00 53.04 H new ATOM 0 HG LEU A 83 -3.610 -6.834 0.289 1.00 60.15 H new ATOM 0 HD11 LEU A 83 -4.296 -7.001 -2.088 1.00 1.22 H new ATOM 0 HD12 LEU A 83 -4.189 -8.593 -1.301 1.00 1.22 H new ATOM 0 HD13 LEU A 83 -5.779 -7.848 -1.589 1.00 1.22 H new ATOM 0 HD21 LEU A 83 -4.860 -4.966 -0.779 1.00 34.13 H new ATOM 0 HD22 LEU A 83 -6.384 -5.654 -0.168 1.00 34.13 H new ATOM 0 HD23 LEU A 83 -5.155 -5.060 0.974 1.00 34.13 H new ATOM 1321 N CYS A 84 -5.131 -8.871 4.514 1.00 63.45 N ATOM 1322 CA CYS A 84 -5.668 -9.687 5.641 1.00 53.43 C ATOM 1323 C CYS A 84 -5.658 -8.894 6.961 1.00 42.23 C ATOM 1324 O CYS A 84 -6.283 -9.313 7.936 1.00 42.55 O ATOM 1325 CB CYS A 84 -4.861 -10.997 5.828 1.00 50.13 C ATOM 1326 SG CYS A 84 -3.208 -10.769 6.519 1.00 32.55 S ATOM 0 H CYS A 84 -4.113 -8.874 4.454 1.00 63.45 H new ATOM 0 HA CYS A 84 -6.697 -9.939 5.383 1.00 53.43 H new ATOM 0 HB2 CYS A 84 -5.424 -11.665 6.480 1.00 50.13 H new ATOM 0 HB3 CYS A 84 -4.771 -11.494 4.862 1.00 50.13 H new ATOM 0 HG CYS A 84 -2.802 -9.557 6.282 1.00 32.55 H new ATOM 1332 N GLY A 85 -4.937 -7.753 6.983 1.00 24.22 N ATOM 1333 CA GLY A 85 -4.864 -6.878 8.169 1.00 60.32 C ATOM 1334 C GLY A 85 -3.695 -7.191 9.116 1.00 51.30 C ATOM 1335 O GLY A 85 -3.638 -6.648 10.222 1.00 71.24 O ATOM 0 H GLY A 85 -4.395 -7.416 6.187 1.00 24.22 H new ATOM 0 HA2 GLY A 85 -4.780 -5.843 7.838 1.00 60.32 H new ATOM 0 HA3 GLY A 85 -5.798 -6.960 8.725 1.00 60.32 H new ATOM 1339 N ALA A 86 -2.777 -8.086 8.689 1.00 72.35 N ATOM 1340 CA ALA A 86 -1.538 -8.409 9.445 1.00 15.35 C ATOM 1341 C ALA A 86 -0.549 -7.215 9.417 1.00 52.34 C ATOM 1342 O ALA A 86 -0.052 -6.777 10.461 1.00 65.23 O ATOM 1343 CB ALA A 86 -0.884 -9.674 8.870 1.00 12.33 C ATOM 0 H ALA A 86 -2.869 -8.605 7.816 1.00 72.35 H new ATOM 0 HA ALA A 86 -1.804 -8.598 10.485 1.00 15.35 H new ATOM 0 HB1 ALA A 86 0.023 -9.902 9.431 1.00 12.33 H new ATOM 0 HB2 ALA A 86 -1.579 -10.510 8.948 1.00 12.33 H new ATOM 0 HB3 ALA A 86 -0.631 -9.509 7.823 1.00 12.33 H new ATOM 1349 N ILE A 87 -0.254 -6.721 8.198 1.00 53.12 N ATOM 1350 CA ILE A 87 0.453 -5.438 7.994 1.00 31.33 C ATOM 1351 C ILE A 87 -0.595 -4.309 7.871 1.00 43.12 C ATOM 1352 O ILE A 87 -1.476 -4.364 7.005 1.00 65.42 O ATOM 1353 CB ILE A 87 1.370 -5.471 6.709 1.00 2.41 C ATOM 1354 CG1 ILE A 87 2.458 -6.592 6.832 1.00 71.21 C ATOM 1355 CG2 ILE A 87 2.031 -4.087 6.446 1.00 31.53 C ATOM 1356 CD1 ILE A 87 3.359 -6.756 5.611 1.00 10.14 C ATOM 0 H ILE A 87 -0.497 -7.197 7.329 1.00 53.12 H new ATOM 0 HA ILE A 87 1.105 -5.259 8.849 1.00 31.33 H new ATOM 0 HB ILE A 87 0.734 -5.701 5.854 1.00 2.41 H new ATOM 0 HG12 ILE A 87 3.083 -6.377 7.699 1.00 71.21 H new ATOM 0 HG13 ILE A 87 1.959 -7.541 7.026 1.00 71.21 H new ATOM 0 HG21 ILE A 87 2.655 -4.145 5.554 1.00 31.53 H new ATOM 0 HG22 ILE A 87 1.255 -3.336 6.297 1.00 31.53 H new ATOM 0 HG23 ILE A 87 2.646 -3.809 7.302 1.00 31.53 H new ATOM 0 HD11 ILE A 87 4.078 -7.555 5.794 1.00 10.14 H new ATOM 0 HD12 ILE A 87 2.751 -7.006 4.741 1.00 10.14 H new ATOM 0 HD13 ILE A 87 3.892 -5.824 5.425 1.00 10.14 H new ATOM 1368 N THR A 88 -0.492 -3.293 8.744 1.00 44.22 N ATOM 1369 CA THR A 88 -1.449 -2.163 8.775 1.00 33.52 C ATOM 1370 C THR A 88 -1.189 -1.185 7.598 1.00 61.40 C ATOM 1371 O THR A 88 -0.067 -1.144 7.070 1.00 74.04 O ATOM 1372 CB THR A 88 -1.370 -1.371 10.133 1.00 13.03 C ATOM 1373 OG1 THR A 88 -0.222 -0.510 10.146 1.00 33.00 O ATOM 1374 CG2 THR A 88 -1.303 -2.316 11.350 1.00 52.33 C ATOM 0 H THR A 88 0.247 -3.227 9.443 1.00 44.22 H new ATOM 0 HA THR A 88 -2.447 -2.591 8.678 1.00 33.52 H new ATOM 0 HB THR A 88 -2.282 -0.778 10.207 1.00 13.03 H new ATOM 0 HG1 THR A 88 -0.188 -0.023 10.996 1.00 33.00 H new ATOM 0 HG21 THR A 88 -1.250 -1.727 12.266 1.00 52.33 H new ATOM 0 HG22 THR A 88 -2.194 -2.943 11.373 1.00 52.33 H new ATOM 0 HG23 THR A 88 -0.418 -2.947 11.272 1.00 52.33 H new ATOM 1382 N PRO A 89 -2.221 -0.392 7.156 1.00 43.10 N ATOM 1383 CA PRO A 89 -2.041 0.676 6.126 1.00 5.22 C ATOM 1384 C PRO A 89 -0.932 1.711 6.478 1.00 30.12 C ATOM 1385 O PRO A 89 -0.303 2.303 5.588 1.00 21.21 O ATOM 1386 CB PRO A 89 -3.434 1.342 6.060 1.00 20.53 C ATOM 1387 CG PRO A 89 -4.386 0.268 6.491 1.00 74.02 C ATOM 1388 CD PRO A 89 -3.654 -0.512 7.560 1.00 14.44 C ATOM 0 HA PRO A 89 -1.704 0.261 5.176 1.00 5.22 H new ATOM 0 HB2 PRO A 89 -3.490 2.209 6.718 1.00 20.53 H new ATOM 0 HB3 PRO A 89 -3.659 1.691 5.052 1.00 20.53 H new ATOM 0 HG2 PRO A 89 -5.310 0.695 6.880 1.00 74.02 H new ATOM 0 HG3 PRO A 89 -4.659 -0.374 5.654 1.00 74.02 H new ATOM 0 HD2 PRO A 89 -3.828 -0.095 8.552 1.00 14.44 H new ATOM 0 HD3 PRO A 89 -3.977 -1.553 7.590 1.00 14.44 H new ATOM 1396 N GLN A 90 -0.700 1.907 7.786 1.00 51.40 N ATOM 1397 CA GLN A 90 0.368 2.785 8.301 1.00 73.53 C ATOM 1398 C GLN A 90 1.757 2.115 8.140 1.00 15.20 C ATOM 1399 O GLN A 90 2.719 2.762 7.703 1.00 53.13 O ATOM 1400 CB GLN A 90 0.061 3.153 9.789 1.00 44.10 C ATOM 1401 CG GLN A 90 1.019 4.191 10.458 1.00 25.32 C ATOM 1402 CD GLN A 90 2.167 3.566 11.267 1.00 65.20 C ATOM 1403 OE1 GLN A 90 2.039 3.312 12.459 1.00 60.11 O ATOM 1404 NE2 GLN A 90 3.290 3.317 10.636 1.00 24.24 N ATOM 0 H GLN A 90 -1.249 1.460 8.520 1.00 51.40 H new ATOM 0 HA GLN A 90 0.396 3.707 7.720 1.00 73.53 H new ATOM 0 HB2 GLN A 90 -0.956 3.542 9.842 1.00 44.10 H new ATOM 0 HB3 GLN A 90 0.083 2.237 10.379 1.00 44.10 H new ATOM 0 HG2 GLN A 90 1.443 4.829 9.682 1.00 25.32 H new ATOM 0 HG3 GLN A 90 0.435 4.834 11.116 1.00 25.32 H new ATOM 0 HE21 GLN A 90 3.377 3.536 9.643 1.00 24.24 H new ATOM 0 HE22 GLN A 90 4.076 2.905 11.138 1.00 24.24 H new ATOM 1413 N GLN A 91 1.847 0.809 8.470 1.00 60.43 N ATOM 1414 CA GLN A 91 3.115 0.044 8.412 1.00 13.21 C ATOM 1415 C GLN A 91 3.631 -0.121 6.967 1.00 12.00 C ATOM 1416 O GLN A 91 4.810 0.099 6.713 1.00 71.14 O ATOM 1417 CB GLN A 91 2.973 -1.342 9.104 1.00 13.43 C ATOM 1418 CG GLN A 91 2.837 -1.292 10.641 1.00 11.21 C ATOM 1419 CD GLN A 91 4.023 -0.602 11.336 1.00 34.15 C ATOM 1420 OE1 GLN A 91 4.012 0.599 11.576 1.00 55.41 O ATOM 1421 NE2 GLN A 91 5.064 -1.355 11.633 1.00 3.53 N ATOM 0 H GLN A 91 1.049 0.256 8.783 1.00 60.43 H new ATOM 0 HA GLN A 91 3.856 0.627 8.959 1.00 13.21 H new ATOM 0 HB2 GLN A 91 2.100 -1.849 8.693 1.00 13.43 H new ATOM 0 HB3 GLN A 91 3.842 -1.949 8.851 1.00 13.43 H new ATOM 0 HG2 GLN A 91 1.918 -0.767 10.900 1.00 11.21 H new ATOM 0 HG3 GLN A 91 2.742 -2.308 11.023 1.00 11.21 H new ATOM 0 HE21 GLN A 91 5.048 -2.353 11.423 1.00 3.53 H new ATOM 0 HE22 GLN A 91 5.885 -0.939 12.073 1.00 3.53 H new ATOM 1430 N ILE A 92 2.738 -0.488 6.025 1.00 62.30 N ATOM 1431 CA ILE A 92 3.111 -0.647 4.596 1.00 54.24 C ATOM 1432 C ILE A 92 3.657 0.687 4.002 1.00 65.52 C ATOM 1433 O ILE A 92 4.610 0.683 3.219 1.00 2.41 O ATOM 1434 CB ILE A 92 1.906 -1.214 3.739 1.00 3.44 C ATOM 1435 CG1 ILE A 92 2.328 -1.521 2.263 1.00 35.33 C ATOM 1436 CG2 ILE A 92 0.689 -0.272 3.770 1.00 2.23 C ATOM 1437 CD1 ILE A 92 3.419 -2.570 2.118 1.00 70.30 C ATOM 0 H ILE A 92 1.756 -0.680 6.223 1.00 62.30 H new ATOM 0 HA ILE A 92 3.915 -1.382 4.548 1.00 54.24 H new ATOM 0 HB ILE A 92 1.614 -2.156 4.203 1.00 3.44 H new ATOM 0 HG12 ILE A 92 1.449 -1.852 1.710 1.00 35.33 H new ATOM 0 HG13 ILE A 92 2.668 -0.596 1.797 1.00 35.33 H new ATOM 0 HG21 ILE A 92 -0.116 -0.697 3.170 1.00 2.23 H new ATOM 0 HG22 ILE A 92 0.349 -0.150 4.799 1.00 2.23 H new ATOM 0 HG23 ILE A 92 0.970 0.699 3.363 1.00 2.23 H new ATOM 0 HD11 ILE A 92 3.645 -2.716 1.062 1.00 70.30 H new ATOM 0 HD12 ILE A 92 4.317 -2.236 2.638 1.00 70.30 H new ATOM 0 HD13 ILE A 92 3.078 -3.511 2.550 1.00 70.30 H new ATOM 1449 N ALA A 93 3.081 1.819 4.450 1.00 61.04 N ATOM 1450 CA ALA A 93 3.512 3.172 4.039 1.00 44.30 C ATOM 1451 C ALA A 93 4.941 3.527 4.550 1.00 25.34 C ATOM 1452 O ALA A 93 5.729 4.135 3.816 1.00 32.15 O ATOM 1453 CB ALA A 93 2.491 4.216 4.527 1.00 62.32 C ATOM 0 H ALA A 93 2.302 1.823 5.108 1.00 61.04 H new ATOM 0 HA ALA A 93 3.557 3.183 2.950 1.00 44.30 H new ATOM 0 HB1 ALA A 93 2.814 5.211 4.221 1.00 62.32 H new ATOM 0 HB2 ALA A 93 1.515 4.001 4.092 1.00 62.32 H new ATOM 0 HB3 ALA A 93 2.420 4.175 5.614 1.00 62.32 H new ATOM 1459 N VAL A 94 5.273 3.130 5.797 1.00 2.14 N ATOM 1460 CA VAL A 94 6.543 3.546 6.463 1.00 22.23 C ATOM 1461 C VAL A 94 7.719 2.550 6.258 1.00 64.24 C ATOM 1462 O VAL A 94 8.880 2.931 6.455 1.00 63.44 O ATOM 1463 CB VAL A 94 6.314 3.801 8.000 1.00 63.50 C ATOM 1464 CG1 VAL A 94 5.228 4.884 8.221 1.00 64.32 C ATOM 1465 CG2 VAL A 94 5.967 2.493 8.756 1.00 21.43 C ATOM 0 H VAL A 94 4.686 2.523 6.369 1.00 2.14 H new ATOM 0 HA VAL A 94 6.837 4.475 5.975 1.00 22.23 H new ATOM 0 HB VAL A 94 7.251 4.170 8.416 1.00 63.50 H new ATOM 0 HG11 VAL A 94 5.086 5.044 9.290 1.00 64.32 H new ATOM 0 HG12 VAL A 94 5.544 5.817 7.753 1.00 64.32 H new ATOM 0 HG13 VAL A 94 4.289 4.554 7.776 1.00 64.32 H new ATOM 0 HG21 VAL A 94 5.817 2.713 9.813 1.00 21.43 H new ATOM 0 HG22 VAL A 94 5.055 2.064 8.341 1.00 21.43 H new ATOM 0 HG23 VAL A 94 6.785 1.781 8.646 1.00 21.43 H new ATOM 1475 N MET A 95 7.430 1.281 5.886 1.00 44.25 N ATOM 1476 CA MET A 95 8.494 0.276 5.606 1.00 23.24 C ATOM 1477 C MET A 95 9.266 0.625 4.313 1.00 0.22 C ATOM 1478 O MET A 95 8.664 1.034 3.312 1.00 43.54 O ATOM 1479 CB MET A 95 7.922 -1.167 5.504 1.00 71.32 C ATOM 1480 CG MET A 95 7.392 -1.757 6.819 1.00 11.43 C ATOM 1481 SD MET A 95 6.887 -3.492 6.655 1.00 22.03 S ATOM 1482 CE MET A 95 5.688 -3.431 5.319 1.00 45.34 C ATOM 0 H MET A 95 6.480 0.927 5.772 1.00 44.25 H new ATOM 0 HA MET A 95 9.183 0.308 6.450 1.00 23.24 H new ATOM 0 HB2 MET A 95 7.114 -1.169 4.772 1.00 71.32 H new ATOM 0 HB3 MET A 95 8.703 -1.823 5.119 1.00 71.32 H new ATOM 0 HG2 MET A 95 8.164 -1.678 7.585 1.00 11.43 H new ATOM 0 HG3 MET A 95 6.542 -1.166 7.161 1.00 11.43 H new ATOM 0 HE1 MET A 95 5.599 -4.418 4.865 1.00 45.34 H new ATOM 0 HE2 MET A 95 4.719 -3.124 5.713 1.00 45.34 H new ATOM 0 HE3 MET A 95 6.017 -2.714 4.567 1.00 45.34 H new ATOM 1492 N THR A 96 10.600 0.460 4.351 1.00 54.33 N ATOM 1493 CA THR A 96 11.485 0.727 3.189 1.00 44.22 C ATOM 1494 C THR A 96 11.374 -0.376 2.115 1.00 23.12 C ATOM 1495 O THR A 96 10.826 -1.457 2.373 1.00 61.32 O ATOM 1496 CB THR A 96 12.984 0.855 3.619 1.00 42.24 C ATOM 1497 OG1 THR A 96 13.480 -0.413 4.081 1.00 34.23 O ATOM 1498 CG2 THR A 96 13.184 1.928 4.708 1.00 10.53 C ATOM 0 H THR A 96 11.099 0.140 5.181 1.00 54.33 H new ATOM 0 HA THR A 96 11.147 1.674 2.768 1.00 44.22 H new ATOM 0 HB THR A 96 13.548 1.168 2.740 1.00 42.24 H new ATOM 0 HG1 THR A 96 14.419 -0.320 4.345 1.00 34.23 H new ATOM 0 HG21 THR A 96 14.239 1.982 4.976 1.00 10.53 H new ATOM 0 HG22 THR A 96 12.855 2.896 4.330 1.00 10.53 H new ATOM 0 HG23 THR A 96 12.599 1.665 5.589 1.00 10.53 H new ATOM 1506 N SER A 97 11.920 -0.102 0.911 1.00 53.23 N ATOM 1507 CA SER A 97 11.909 -1.063 -0.223 1.00 2.31 C ATOM 1508 C SER A 97 12.639 -2.379 0.133 1.00 23.41 C ATOM 1509 O SER A 97 12.259 -3.441 -0.339 1.00 41.54 O ATOM 1510 CB SER A 97 12.538 -0.432 -1.488 1.00 23.12 C ATOM 1511 OG SER A 97 13.905 -0.113 -1.283 1.00 63.24 O ATOM 0 H SER A 97 12.378 0.783 0.694 1.00 53.23 H new ATOM 0 HA SER A 97 10.866 -1.302 -0.430 1.00 2.31 H new ATOM 0 HB2 SER A 97 12.446 -1.124 -2.325 1.00 23.12 H new ATOM 0 HB3 SER A 97 11.989 0.470 -1.758 1.00 23.12 H new ATOM 0 HG SER A 97 14.275 0.282 -2.100 1.00 63.24 H new ATOM 1517 N GLU A 98 13.663 -2.285 0.997 1.00 54.44 N ATOM 1518 CA GLU A 98 14.430 -3.454 1.496 1.00 12.33 C ATOM 1519 C GLU A 98 13.545 -4.427 2.318 1.00 0.11 C ATOM 1520 O GLU A 98 13.667 -5.646 2.185 1.00 31.11 O ATOM 1521 CB GLU A 98 15.620 -2.956 2.352 1.00 61.12 C ATOM 1522 CG GLU A 98 16.620 -2.077 1.571 1.00 32.41 C ATOM 1523 CD GLU A 98 17.726 -1.491 2.459 1.00 24.53 C ATOM 1524 OE1 GLU A 98 17.534 -0.387 3.008 1.00 73.20 O ATOM 1525 OE2 GLU A 98 18.789 -2.134 2.612 1.00 14.43 O ATOM 0 H GLU A 98 13.989 -1.395 1.375 1.00 54.44 H new ATOM 0 HA GLU A 98 14.798 -4.010 0.634 1.00 12.33 H new ATOM 0 HB2 GLU A 98 15.235 -2.388 3.199 1.00 61.12 H new ATOM 0 HB3 GLU A 98 16.148 -3.818 2.760 1.00 61.12 H new ATOM 0 HG2 GLU A 98 17.075 -2.671 0.778 1.00 32.41 H new ATOM 0 HG3 GLU A 98 16.079 -1.263 1.089 1.00 32.41 H new ATOM 1532 N GLU A 99 12.658 -3.859 3.150 1.00 31.42 N ATOM 1533 CA GLU A 99 11.709 -4.638 3.981 1.00 54.41 C ATOM 1534 C GLU A 99 10.613 -5.293 3.101 1.00 35.21 C ATOM 1535 O GLU A 99 10.325 -6.492 3.206 1.00 71.40 O ATOM 1536 CB GLU A 99 11.043 -3.703 5.040 1.00 1.20 C ATOM 1537 CG GLU A 99 12.008 -2.777 5.817 1.00 41.53 C ATOM 1538 CD GLU A 99 13.081 -3.517 6.631 1.00 41.22 C ATOM 1539 OE1 GLU A 99 12.804 -3.876 7.797 1.00 2.42 O ATOM 1540 OE2 GLU A 99 14.204 -3.743 6.117 1.00 2.00 O ATOM 0 H GLU A 99 12.574 -2.850 3.270 1.00 31.42 H new ATOM 0 HA GLU A 99 12.264 -5.428 4.487 1.00 54.41 H new ATOM 0 HB2 GLU A 99 10.301 -3.084 4.536 1.00 1.20 H new ATOM 0 HB3 GLU A 99 10.506 -4.322 5.758 1.00 1.20 H new ATOM 0 HG2 GLU A 99 12.501 -2.111 5.109 1.00 41.53 H new ATOM 0 HG3 GLU A 99 11.426 -2.150 6.492 1.00 41.53 H new ATOM 1547 N MET A 100 10.037 -4.467 2.214 1.00 25.33 N ATOM 1548 CA MET A 100 8.867 -4.828 1.380 1.00 13.01 C ATOM 1549 C MET A 100 9.220 -5.762 0.196 1.00 41.10 C ATOM 1550 O MET A 100 8.344 -6.453 -0.332 1.00 23.03 O ATOM 1551 CB MET A 100 8.219 -3.534 0.839 1.00 24.00 C ATOM 1552 CG MET A 100 7.725 -2.571 1.924 1.00 62.02 C ATOM 1553 SD MET A 100 6.896 -1.128 1.242 1.00 50.43 S ATOM 1554 CE MET A 100 8.178 -0.388 0.226 1.00 1.20 C ATOM 0 H MET A 100 10.370 -3.517 2.050 1.00 25.33 H new ATOM 0 HA MET A 100 8.176 -5.380 2.017 1.00 13.01 H new ATOM 0 HB2 MET A 100 8.943 -3.014 0.212 1.00 24.00 H new ATOM 0 HB3 MET A 100 7.378 -3.803 0.199 1.00 24.00 H new ATOM 0 HG2 MET A 100 7.041 -3.098 2.589 1.00 62.02 H new ATOM 0 HG3 MET A 100 8.571 -2.247 2.530 1.00 62.02 H new ATOM 0 HE1 MET A 100 7.885 0.626 -0.048 1.00 1.20 H new ATOM 0 HE2 MET A 100 9.113 -0.357 0.785 1.00 1.20 H new ATOM 0 HE3 MET A 100 8.315 -0.983 -0.677 1.00 1.20 H new