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 96 THR OG1 : rot 180:sc= -0.168 USER MOD Set 1.2: A 97 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 68 SER OG : rot 180:sc= -0.0567 USER MOD Set 2.2: A 69 ASN : amide:sc= 0.625 K(o=0.57,f=-0.059) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -0.295 K(o=-0.43,f=-1.2) USER MOD Set 3.2: A 37 CYS SG : rot -150:sc= -0.137 USER MOD Set 4.1: A 21 THR OG1 : rot 68:sc= 1.4 USER MOD Set 4.2: A 41 SER OG : rot -109:sc= 0.0145 USER MOD Set 5.1: A 16 CYS SG : rot -4:sc= -0.152 USER MOD Set 5.2: A 59 TYR OH : rot -88:sc= 1.3 USER MOD Single : A 14 ASN : amide:sc= -0.239 X(o=-0.24,f=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl 146:sc= -1.23 (180deg=-1.78) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.199 F(o=-1.6,f=-0.2) 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 47 CYS SG : rot 82:sc= -0.681! USER MOD Single : A 54 ASN :FLIP amide:sc= 0.103 F(o=-2.7!,f=0.1) USER MOD Single : A 55 THR OG1 : rot 0:sc= 0.373 USER MOD Single : A 57 MET CE :methyl 170:sc= -0.0405 (180deg=-0.242) USER MOD Single : A 58 LYS NZ :NH3+ 152:sc= 0.182 (180deg=-0.787) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.143 K(o=-0.14,f=-2.5!) USER MOD Single : A 65 SER OG : rot 83:sc= 0.687 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= -0.386 K(o=-0.39,f=-2.7) USER MOD Single : A 81 ASN : amide:sc= -0.0275 K(o=-0.027,f=-0.77) USER MOD Single : A 84 CYS SG : rot -9:sc= -3.07! USER MOD Single : A 88 THR OG1 : rot 180:sc= -0.415 USER MOD Single : A 90 GLN : amide:sc= 0 K(o=0,f=-2.2) USER MOD Single : A 91 GLN : amide:sc= 0.36 K(o=0.36,f=-2.9!) USER MOD Single : A 95 MET CE :methyl 178:sc= -0.0937 (180deg=-0.111) USER MOD Single : A 100 MET CE :methyl 175:sc= -0.489 (180deg=-0.685) USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -7.282 17.481 -5.357 1.00 52.44 N ATOM 147 CA ALA A 11 -7.246 16.304 -6.247 1.00 42.33 C ATOM 148 C ALA A 11 -5.866 15.590 -6.225 1.00 52.33 C ATOM 149 O ALA A 11 -5.748 14.471 -6.716 1.00 44.15 O ATOM 150 CB ALA A 11 -7.632 16.715 -7.676 1.00 22.11 C ATOM 0 HA ALA A 11 -7.974 15.584 -5.875 1.00 42.33 H new ATOM 0 HB1 ALA A 11 -7.603 15.841 -8.326 1.00 22.11 H new ATOM 0 HB2 ALA A 11 -8.639 17.133 -7.675 1.00 22.11 H new ATOM 0 HB3 ALA A 11 -6.929 17.463 -8.042 1.00 22.11 H new ATOM 156 N VAL A 12 -4.831 16.257 -5.664 1.00 12.10 N ATOM 157 CA VAL A 12 -3.507 15.638 -5.399 1.00 60.22 C ATOM 158 C VAL A 12 -3.641 14.390 -4.478 1.00 65.24 C ATOM 159 O VAL A 12 -3.326 13.263 -4.888 1.00 0.44 O ATOM 160 CB VAL A 12 -2.520 16.683 -4.739 1.00 25.53 C ATOM 161 CG1 VAL A 12 -1.163 16.042 -4.345 1.00 14.45 C ATOM 162 CG2 VAL A 12 -2.298 17.900 -5.669 1.00 40.43 C ATOM 0 H VAL A 12 -4.887 17.236 -5.382 1.00 12.10 H new ATOM 0 HA VAL A 12 -3.099 15.319 -6.358 1.00 60.22 H new ATOM 0 HB VAL A 12 -2.994 17.029 -3.820 1.00 25.53 H new ATOM 0 HG11 VAL A 12 -0.520 16.799 -3.896 1.00 14.45 H new ATOM 0 HG12 VAL A 12 -1.334 15.240 -3.627 1.00 14.45 H new ATOM 0 HG13 VAL A 12 -0.680 15.637 -5.234 1.00 14.45 H new ATOM 0 HG21 VAL A 12 -1.616 18.603 -5.191 1.00 40.43 H new ATOM 0 HG22 VAL A 12 -1.870 17.563 -6.613 1.00 40.43 H new ATOM 0 HG23 VAL A 12 -3.252 18.392 -5.858 1.00 40.43 H new ATOM 172 N ARG A 13 -4.134 14.610 -3.237 1.00 52.34 N ATOM 173 CA ARG A 13 -4.315 13.532 -2.232 1.00 22.25 C ATOM 174 C ARG A 13 -5.515 12.618 -2.593 1.00 74.53 C ATOM 175 O ARG A 13 -5.482 11.412 -2.320 1.00 31.12 O ATOM 176 CB ARG A 13 -4.449 14.157 -0.807 1.00 52.35 C ATOM 177 CG ARG A 13 -4.626 13.150 0.375 1.00 64.33 C ATOM 178 CD ARG A 13 -6.098 12.844 0.704 1.00 40.35 C ATOM 179 NE ARG A 13 -6.241 11.909 1.821 1.00 54.32 N ATOM 180 CZ ARG A 13 -6.480 12.218 3.072 1.00 32.21 C ATOM 181 NH1 ARG A 13 -6.605 13.447 3.443 1.00 43.24 N ATOM 182 NH2 ARG A 13 -6.567 11.277 3.951 1.00 45.34 N ATOM 0 H ARG A 13 -4.416 15.532 -2.904 1.00 52.34 H new ATOM 0 HA ARG A 13 -3.434 12.891 -2.235 1.00 22.25 H new ATOM 0 HB2 ARG A 13 -3.562 14.760 -0.613 1.00 52.35 H new ATOM 0 HB3 ARG A 13 -5.302 14.836 -0.809 1.00 52.35 H new ATOM 0 HG2 ARG A 13 -4.116 12.219 0.128 1.00 64.33 H new ATOM 0 HG3 ARG A 13 -4.140 13.555 1.263 1.00 64.33 H new ATOM 0 HD2 ARG A 13 -6.614 13.774 0.945 1.00 40.35 H new ATOM 0 HD3 ARG A 13 -6.585 12.428 -0.178 1.00 40.35 H new ATOM 0 HE ARG A 13 -6.145 10.917 1.604 1.00 54.32 H new ATOM 0 HH11 ARG A 13 -6.518 14.198 2.758 1.00 43.24 H new ATOM 0 HH12 ARG A 13 -6.791 13.668 4.421 1.00 43.24 H new ATOM 0 HH21 ARG A 13 -6.450 10.304 3.669 1.00 45.34 H new ATOM 0 HH22 ARG A 13 -6.753 11.507 4.927 1.00 45.34 H new ATOM 196 N ASN A 14 -6.574 13.201 -3.200 1.00 53.51 N ATOM 197 CA ASN A 14 -7.760 12.428 -3.649 1.00 74.44 C ATOM 198 C ASN A 14 -7.352 11.344 -4.671 1.00 42.12 C ATOM 199 O ASN A 14 -7.581 10.155 -4.437 1.00 22.24 O ATOM 200 CB ASN A 14 -8.829 13.379 -4.251 1.00 61.14 C ATOM 201 CG ASN A 14 -10.102 12.676 -4.762 1.00 32.21 C ATOM 202 OD1 ASN A 14 -10.714 13.112 -5.731 1.00 1.14 O ATOM 203 ND2 ASN A 14 -10.539 11.617 -4.104 1.00 12.02 N ATOM 0 H ASN A 14 -6.634 14.201 -3.391 1.00 53.51 H new ATOM 0 HA ASN A 14 -8.194 11.928 -2.783 1.00 74.44 H new ATOM 0 HB2 ASN A 14 -9.113 14.110 -3.494 1.00 61.14 H new ATOM 0 HB3 ASN A 14 -8.380 13.932 -5.076 1.00 61.14 H new ATOM 0 HD21 ASN A 14 -11.396 11.150 -4.400 1.00 12.02 H new ATOM 0 HD22 ASN A 14 -10.019 11.266 -3.300 1.00 12.02 H new ATOM 210 N LYS A 15 -6.696 11.774 -5.771 1.00 12.41 N ATOM 211 CA LYS A 15 -6.209 10.862 -6.831 1.00 15.15 C ATOM 212 C LYS A 15 -5.166 9.855 -6.286 1.00 52.44 C ATOM 213 O LYS A 15 -5.118 8.720 -6.744 1.00 12.21 O ATOM 214 CB LYS A 15 -5.625 11.664 -8.018 1.00 63.31 C ATOM 215 CG LYS A 15 -5.242 10.807 -9.251 1.00 54.43 C ATOM 216 CD LYS A 15 -4.803 11.670 -10.452 1.00 43.32 C ATOM 217 CE LYS A 15 -4.444 10.835 -11.695 1.00 62.52 C ATOM 218 NZ LYS A 15 -4.002 11.686 -12.832 1.00 33.53 N ATOM 0 H LYS A 15 -6.490 12.757 -5.949 1.00 12.41 H new ATOM 0 HA LYS A 15 -7.065 10.288 -7.187 1.00 15.15 H new ATOM 0 HB2 LYS A 15 -6.354 12.414 -8.326 1.00 63.31 H new ATOM 0 HB3 LYS A 15 -4.740 12.201 -7.676 1.00 63.31 H new ATOM 0 HG2 LYS A 15 -4.434 10.127 -8.981 1.00 54.43 H new ATOM 0 HG3 LYS A 15 -6.093 10.191 -9.541 1.00 54.43 H new ATOM 0 HD2 LYS A 15 -5.605 12.363 -10.706 1.00 43.32 H new ATOM 0 HD3 LYS A 15 -3.941 12.272 -10.164 1.00 43.32 H new ATOM 0 HE2 LYS A 15 -3.652 10.130 -11.441 1.00 62.52 H new ATOM 0 HE3 LYS A 15 -5.310 10.247 -11.998 1.00 62.52 H new ATOM 0 HZ1 LYS A 15 -3.770 11.083 -13.647 1.00 33.53 H new ATOM 0 HZ2 LYS A 15 -4.766 12.342 -13.092 1.00 33.53 H new ATOM 0 HZ3 LYS A 15 -3.160 12.229 -12.553 1.00 33.53 H new ATOM 232 N CYS A 16 -4.361 10.287 -5.286 1.00 23.50 N ATOM 233 CA CYS A 16 -3.375 9.408 -4.594 1.00 23.41 C ATOM 234 C CYS A 16 -4.052 8.177 -3.948 1.00 23.21 C ATOM 235 O CYS A 16 -3.599 7.042 -4.144 1.00 63.44 O ATOM 236 CB CYS A 16 -2.599 10.191 -3.516 1.00 54.20 C ATOM 237 SG CYS A 16 -1.520 9.165 -2.496 1.00 34.13 S ATOM 0 H CYS A 16 -4.372 11.245 -4.935 1.00 23.50 H new ATOM 0 HA CYS A 16 -2.680 9.056 -5.356 1.00 23.41 H new ATOM 0 HB2 CYS A 16 -1.999 10.960 -4.002 1.00 54.20 H new ATOM 0 HB3 CYS A 16 -3.312 10.704 -2.870 1.00 54.20 H new ATOM 0 HG CYS A 16 -1.678 7.915 -2.818 1.00 34.13 H new ATOM 243 N ARG A 17 -5.150 8.419 -3.202 1.00 54.13 N ATOM 244 CA ARG A 17 -5.950 7.342 -2.567 1.00 14.15 C ATOM 245 C ARG A 17 -6.572 6.427 -3.654 1.00 32.13 C ATOM 246 O ARG A 17 -6.546 5.201 -3.521 1.00 30.03 O ATOM 247 CB ARG A 17 -7.052 7.962 -1.641 1.00 51.53 C ATOM 248 CG ARG A 17 -7.623 7.032 -0.520 1.00 3.02 C ATOM 249 CD ARG A 17 -8.579 5.928 -1.006 1.00 15.40 C ATOM 250 NE ARG A 17 -9.868 6.471 -1.472 1.00 62.41 N ATOM 251 CZ ARG A 17 -10.616 5.948 -2.421 1.00 73.02 C ATOM 252 NH1 ARG A 17 -10.170 5.014 -3.201 1.00 23.43 N ATOM 253 NH2 ARG A 17 -11.802 6.409 -2.619 1.00 22.33 N ATOM 0 H ARG A 17 -5.508 9.357 -3.022 1.00 54.13 H new ATOM 0 HA ARG A 17 -5.297 6.728 -1.946 1.00 14.15 H new ATOM 0 HB2 ARG A 17 -6.639 8.853 -1.168 1.00 51.53 H new ATOM 0 HB3 ARG A 17 -7.881 8.289 -2.269 1.00 51.53 H new ATOM 0 HG2 ARG A 17 -6.788 6.563 0.001 1.00 3.02 H new ATOM 0 HG3 ARG A 17 -8.148 7.649 0.209 1.00 3.02 H new ATOM 0 HD2 ARG A 17 -8.107 5.372 -1.816 1.00 15.40 H new ATOM 0 HD3 ARG A 17 -8.756 5.221 -0.196 1.00 15.40 H new ATOM 0 HE ARG A 17 -10.208 7.321 -1.023 1.00 62.41 H new ATOM 0 HH11 ARG A 17 -9.218 4.666 -3.088 1.00 23.43 H new ATOM 0 HH12 ARG A 17 -10.771 4.627 -3.928 1.00 23.43 H new ATOM 0 HH21 ARG A 17 -12.155 7.173 -2.043 1.00 22.33 H new ATOM 0 HH22 ARG A 17 -12.388 6.010 -3.352 1.00 22.33 H new ATOM 267 N GLU A 18 -7.116 7.042 -4.730 1.00 12.10 N ATOM 268 CA GLU A 18 -7.747 6.303 -5.855 1.00 22.23 C ATOM 269 C GLU A 18 -6.762 5.298 -6.528 1.00 42.55 C ATOM 270 O GLU A 18 -7.103 4.132 -6.741 1.00 55.11 O ATOM 271 CB GLU A 18 -8.288 7.281 -6.941 1.00 52.33 C ATOM 272 CG GLU A 18 -9.262 8.379 -6.452 1.00 32.44 C ATOM 273 CD GLU A 18 -10.485 7.874 -5.657 1.00 62.04 C ATOM 274 OE1 GLU A 18 -11.148 6.907 -6.106 1.00 74.20 O ATOM 275 OE2 GLU A 18 -10.797 8.454 -4.592 1.00 23.40 O ATOM 0 H GLU A 18 -7.132 8.055 -4.845 1.00 12.10 H new ATOM 0 HA GLU A 18 -8.575 5.742 -5.421 1.00 22.23 H new ATOM 0 HB2 GLU A 18 -7.437 7.767 -7.418 1.00 52.33 H new ATOM 0 HB3 GLU A 18 -8.792 6.694 -7.709 1.00 52.33 H new ATOM 0 HG2 GLU A 18 -8.708 9.080 -5.827 1.00 32.44 H new ATOM 0 HG3 GLU A 18 -9.618 8.937 -7.318 1.00 32.44 H new ATOM 282 N MET A 19 -5.542 5.778 -6.865 1.00 24.33 N ATOM 283 CA MET A 19 -4.523 4.967 -7.582 1.00 21.41 C ATOM 284 C MET A 19 -3.814 3.925 -6.666 1.00 54.33 C ATOM 285 O MET A 19 -3.353 2.885 -7.154 1.00 62.13 O ATOM 286 CB MET A 19 -3.515 5.862 -8.360 1.00 23.21 C ATOM 287 CG MET A 19 -2.711 6.880 -7.543 1.00 54.43 C ATOM 288 SD MET A 19 -1.657 7.892 -8.615 1.00 71.52 S ATOM 289 CE MET A 19 -0.933 9.076 -7.479 1.00 11.33 C ATOM 0 H MET A 19 -5.236 6.727 -6.652 1.00 24.33 H new ATOM 0 HA MET A 19 -5.065 4.380 -8.323 1.00 21.41 H new ATOM 0 HB2 MET A 19 -2.810 5.209 -8.875 1.00 23.21 H new ATOM 0 HB3 MET A 19 -4.067 6.404 -9.128 1.00 23.21 H new ATOM 0 HG2 MET A 19 -3.392 7.523 -6.986 1.00 54.43 H new ATOM 0 HG3 MET A 19 -2.095 6.358 -6.811 1.00 54.43 H new ATOM 0 HE1 MET A 19 0.081 9.314 -7.799 1.00 11.33 H new ATOM 0 HE2 MET A 19 -1.534 9.985 -7.470 1.00 11.33 H new ATOM 0 HE3 MET A 19 -0.906 8.649 -6.477 1.00 11.33 H new ATOM 299 N LEU A 20 -3.711 4.207 -5.350 1.00 62.34 N ATOM 300 CA LEU A 20 -3.258 3.188 -4.356 1.00 23.01 C ATOM 301 C LEU A 20 -4.318 2.074 -4.164 1.00 33.22 C ATOM 302 O LEU A 20 -3.971 0.913 -3.920 1.00 11.11 O ATOM 303 CB LEU A 20 -2.895 3.853 -2.997 1.00 1.21 C ATOM 304 CG LEU A 20 -1.542 4.632 -2.967 1.00 30.35 C ATOM 305 CD1 LEU A 20 -1.323 5.346 -1.615 1.00 10.34 C ATOM 306 CD2 LEU A 20 -0.352 3.693 -3.289 1.00 42.42 C ATOM 0 H LEU A 20 -3.930 5.118 -4.946 1.00 62.34 H new ATOM 0 HA LEU A 20 -2.357 2.721 -4.753 1.00 23.01 H new ATOM 0 HB2 LEU A 20 -3.696 4.541 -2.724 1.00 1.21 H new ATOM 0 HB3 LEU A 20 -2.865 3.079 -2.231 1.00 1.21 H new ATOM 0 HG LEU A 20 -1.594 5.398 -3.740 1.00 30.35 H new ATOM 0 HD11 LEU A 20 -0.371 5.877 -1.634 1.00 10.34 H new ATOM 0 HD12 LEU A 20 -2.131 6.057 -1.444 1.00 10.34 H new ATOM 0 HD13 LEU A 20 -1.312 4.609 -0.812 1.00 10.34 H new ATOM 0 HD21 LEU A 20 0.578 4.261 -3.261 1.00 42.42 H new ATOM 0 HD22 LEU A 20 -0.310 2.892 -2.550 1.00 42.42 H new ATOM 0 HD23 LEU A 20 -0.485 3.264 -4.282 1.00 42.42 H new ATOM 318 N THR A 21 -5.608 2.442 -4.284 1.00 72.24 N ATOM 319 CA THR A 21 -6.720 1.459 -4.323 1.00 44.44 C ATOM 320 C THR A 21 -6.647 0.620 -5.615 1.00 31.00 C ATOM 321 O THR A 21 -6.904 -0.586 -5.602 1.00 63.31 O ATOM 322 CB THR A 21 -8.125 2.149 -4.244 1.00 31.55 C ATOM 323 OG1 THR A 21 -8.216 2.948 -3.054 1.00 33.43 O ATOM 324 CG2 THR A 21 -9.274 1.123 -4.247 1.00 22.03 C ATOM 0 H THR A 21 -5.911 3.413 -4.356 1.00 72.24 H new ATOM 0 HA THR A 21 -6.605 0.818 -3.449 1.00 44.44 H new ATOM 0 HB THR A 21 -8.224 2.777 -5.130 1.00 31.55 H new ATOM 0 HG1 THR A 21 -7.607 3.713 -3.126 1.00 33.43 H new ATOM 0 HG21 THR A 21 -10.229 1.646 -4.191 1.00 22.03 H new ATOM 0 HG22 THR A 21 -9.235 0.536 -5.164 1.00 22.03 H new ATOM 0 HG23 THR A 21 -9.172 0.460 -3.388 1.00 22.03 H new ATOM 332 N ALA A 22 -6.280 1.290 -6.726 1.00 12.41 N ATOM 333 CA ALA A 22 -6.073 0.647 -8.043 1.00 61.30 C ATOM 334 C ALA A 22 -4.939 -0.409 -7.994 1.00 2.32 C ATOM 335 O ALA A 22 -5.019 -1.450 -8.654 1.00 1.13 O ATOM 336 CB ALA A 22 -5.794 1.708 -9.120 1.00 31.24 C ATOM 0 H ALA A 22 -6.118 2.297 -6.737 1.00 12.41 H new ATOM 0 HA ALA A 22 -6.991 0.121 -8.305 1.00 61.30 H new ATOM 0 HB1 ALA A 22 -5.644 1.219 -10.082 1.00 31.24 H new ATOM 0 HB2 ALA A 22 -6.642 2.390 -9.188 1.00 31.24 H new ATOM 0 HB3 ALA A 22 -4.898 2.269 -8.855 1.00 31.24 H new ATOM 342 N ALA A 23 -3.899 -0.124 -7.189 1.00 54.12 N ATOM 343 CA ALA A 23 -2.776 -1.057 -6.926 1.00 3.12 C ATOM 344 C ALA A 23 -3.229 -2.327 -6.162 1.00 71.32 C ATOM 345 O ALA A 23 -2.626 -3.395 -6.302 1.00 41.21 O ATOM 346 CB ALA A 23 -1.695 -0.330 -6.123 1.00 34.22 C ATOM 0 H ALA A 23 -3.809 0.765 -6.697 1.00 54.12 H new ATOM 0 HA ALA A 23 -2.383 -1.383 -7.889 1.00 3.12 H new ATOM 0 HB1 ALA A 23 -0.867 -1.011 -5.927 1.00 34.22 H new ATOM 0 HB2 ALA A 23 -1.333 0.526 -6.692 1.00 34.22 H new ATOM 0 HB3 ALA A 23 -2.114 0.014 -5.177 1.00 34.22 H new ATOM 352 N LEU A 24 -4.263 -2.176 -5.317 1.00 1.43 N ATOM 353 CA LEU A 24 -4.834 -3.293 -4.522 1.00 41.42 C ATOM 354 C LEU A 24 -5.936 -4.081 -5.292 1.00 54.22 C ATOM 355 O LEU A 24 -6.111 -5.284 -5.072 1.00 62.03 O ATOM 356 CB LEU A 24 -5.378 -2.746 -3.175 1.00 51.53 C ATOM 357 CG LEU A 24 -4.328 -2.023 -2.262 1.00 10.01 C ATOM 358 CD1 LEU A 24 -4.976 -1.505 -0.957 1.00 12.14 C ATOM 359 CD2 LEU A 24 -3.112 -2.938 -1.961 1.00 1.24 C ATOM 0 H LEU A 24 -4.730 -1.283 -5.161 1.00 1.43 H new ATOM 0 HA LEU A 24 -4.032 -4.006 -4.329 1.00 41.42 H new ATOM 0 HB2 LEU A 24 -6.189 -2.049 -3.388 1.00 51.53 H new ATOM 0 HB3 LEU A 24 -5.810 -3.575 -2.615 1.00 51.53 H new ATOM 0 HG LEU A 24 -3.960 -1.158 -2.813 1.00 10.01 H new ATOM 0 HD11 LEU A 24 -4.220 -1.009 -0.347 1.00 12.14 H new ATOM 0 HD12 LEU A 24 -5.768 -0.797 -1.200 1.00 12.14 H new ATOM 0 HD13 LEU A 24 -5.397 -2.343 -0.402 1.00 12.14 H new ATOM 0 HD21 LEU A 24 -2.404 -2.405 -1.326 1.00 1.24 H new ATOM 0 HD22 LEU A 24 -3.452 -3.838 -1.449 1.00 1.24 H new ATOM 0 HD23 LEU A 24 -2.624 -3.214 -2.896 1.00 1.24 H new ATOM 371 N GLN A 25 -6.676 -3.387 -6.187 1.00 74.13 N ATOM 372 CA GLN A 25 -7.823 -3.986 -6.947 1.00 21.54 C ATOM 373 C GLN A 25 -7.393 -4.506 -8.345 1.00 10.41 C ATOM 374 O GLN A 25 -8.218 -5.083 -9.064 1.00 51.23 O ATOM 375 CB GLN A 25 -8.975 -2.949 -7.106 1.00 21.20 C ATOM 376 CG GLN A 25 -8.709 -1.853 -8.163 1.00 41.40 C ATOM 377 CD GLN A 25 -9.772 -0.754 -8.241 1.00 51.11 C ATOM 378 OE1 GLN A 25 -10.341 -0.364 -7.121 1.00 65.30 O flip ATOM 379 NE2 GLN A 25 -10.041 -0.217 -9.310 1.00 41.33 N flip ATOM 0 H GLN A 25 -6.506 -2.406 -6.409 1.00 74.13 H new ATOM 0 HA GLN A 25 -8.176 -4.839 -6.367 1.00 21.54 H new ATOM 0 HB2 GLN A 25 -9.890 -3.479 -7.373 1.00 21.20 H new ATOM 0 HB3 GLN A 25 -9.153 -2.471 -6.142 1.00 21.20 H new ATOM 0 HG2 GLN A 25 -7.745 -1.390 -7.949 1.00 41.40 H new ATOM 0 HG3 GLN A 25 -8.626 -2.326 -9.141 1.00 41.40 H new ATOM 0 HE21 GLN A 25 -9.589 -0.534 -10.168 1.00 41.33 H new ATOM 0 HE22 GLN A 25 -10.717 0.546 -9.341 1.00 41.33 H new ATOM 388 N THR A 26 -6.112 -4.276 -8.724 1.00 43.51 N ATOM 389 CA THR A 26 -5.533 -4.743 -10.024 1.00 22.10 C ATOM 390 C THR A 26 -5.769 -6.260 -10.260 1.00 14.43 C ATOM 391 O THR A 26 -5.958 -6.708 -11.397 1.00 41.15 O ATOM 392 CB THR A 26 -3.994 -4.426 -10.121 1.00 32.22 C ATOM 393 OG1 THR A 26 -3.449 -4.920 -11.362 1.00 54.40 O ATOM 394 CG2 THR A 26 -3.200 -5.023 -8.946 1.00 70.50 C ATOM 0 H THR A 26 -5.447 -3.764 -8.145 1.00 43.51 H new ATOM 0 HA THR A 26 -6.056 -4.190 -10.804 1.00 22.10 H new ATOM 0 HB THR A 26 -3.896 -3.341 -10.080 1.00 32.22 H new ATOM 0 HG1 THR A 26 -2.492 -4.712 -11.405 1.00 54.40 H new ATOM 0 HG21 THR A 26 -2.144 -4.777 -9.058 1.00 70.50 H new ATOM 0 HG22 THR A 26 -3.571 -4.609 -8.008 1.00 70.50 H new ATOM 0 HG23 THR A 26 -3.321 -6.106 -8.938 1.00 70.50 H new ATOM 402 N ASP A 27 -5.746 -7.027 -9.155 1.00 10.23 N ATOM 403 CA ASP A 27 -6.121 -8.456 -9.116 1.00 62.22 C ATOM 404 C ASP A 27 -7.114 -8.705 -7.952 1.00 65.02 C ATOM 405 O ASP A 27 -7.374 -7.812 -7.126 1.00 3.11 O ATOM 406 CB ASP A 27 -4.861 -9.344 -8.975 1.00 23.42 C ATOM 407 CG ASP A 27 -3.908 -9.226 -10.173 1.00 53.12 C ATOM 408 OD1 ASP A 27 -3.140 -8.242 -10.239 1.00 44.31 O ATOM 409 OD2 ASP A 27 -3.941 -10.089 -11.073 1.00 0.04 O ATOM 0 H ASP A 27 -5.461 -6.665 -8.245 1.00 10.23 H new ATOM 0 HA ASP A 27 -6.611 -8.723 -10.052 1.00 62.22 H new ATOM 0 HB2 ASP A 27 -4.328 -9.068 -8.065 1.00 23.42 H new ATOM 0 HB3 ASP A 27 -5.167 -10.384 -8.862 1.00 23.42 H new ATOM 414 N HIS A 28 -7.657 -9.928 -7.878 1.00 21.51 N ATOM 415 CA HIS A 28 -8.752 -10.278 -6.937 1.00 72.33 C ATOM 416 C HIS A 28 -8.221 -10.906 -5.619 1.00 53.05 C ATOM 417 O HIS A 28 -8.882 -11.767 -5.019 1.00 35.44 O ATOM 418 CB HIS A 28 -9.741 -11.232 -7.658 1.00 55.31 C ATOM 419 CG HIS A 28 -10.398 -10.635 -8.873 1.00 73.42 C ATOM 420 ND1 HIS A 28 -10.834 -11.384 -9.942 1.00 21.22 N ATOM 421 CD2 HIS A 28 -10.718 -9.354 -9.168 1.00 64.12 C ATOM 422 CE1 HIS A 28 -11.393 -10.596 -10.833 1.00 23.13 C ATOM 423 NE2 HIS A 28 -11.335 -9.359 -10.388 1.00 21.21 N ATOM 0 H HIS A 28 -7.357 -10.707 -8.464 1.00 21.51 H new ATOM 0 HA HIS A 28 -9.268 -9.363 -6.645 1.00 72.33 H new ATOM 0 HB2 HIS A 28 -9.207 -12.135 -7.954 1.00 55.31 H new ATOM 0 HB3 HIS A 28 -10.515 -11.536 -6.953 1.00 55.31 H new ATOM 0 HD2 HIS A 28 -10.522 -8.488 -8.553 1.00 64.12 H new ATOM 0 HE1 HIS A 28 -11.826 -10.910 -11.771 1.00 23.13 H new ATOM 0 HE2 HIS A 28 -11.693 -8.537 -10.875 1.00 21.21 H new ATOM 432 N ASP A 29 -7.056 -10.418 -5.148 1.00 3.21 N ATOM 433 CA ASP A 29 -6.418 -10.885 -3.886 1.00 51.12 C ATOM 434 C ASP A 29 -7.308 -10.510 -2.676 1.00 4.42 C ATOM 435 O ASP A 29 -7.688 -11.363 -1.874 1.00 14.31 O ATOM 436 CB ASP A 29 -5.011 -10.238 -3.714 1.00 10.25 C ATOM 437 CG ASP A 29 -4.251 -10.099 -5.035 1.00 31.44 C ATOM 438 OD1 ASP A 29 -3.564 -11.054 -5.447 1.00 21.23 O ATOM 439 OD2 ASP A 29 -4.382 -9.041 -5.683 1.00 43.34 O ATOM 0 H ASP A 29 -6.526 -9.690 -5.626 1.00 3.21 H new ATOM 0 HA ASP A 29 -6.306 -11.968 -3.936 1.00 51.12 H new ATOM 0 HB2 ASP A 29 -5.123 -9.253 -3.260 1.00 10.25 H new ATOM 0 HB3 ASP A 29 -4.422 -10.842 -3.024 1.00 10.25 H new ATOM 444 N HIS A 30 -7.666 -9.212 -2.614 1.00 35.04 N ATOM 445 CA HIS A 30 -8.544 -8.648 -1.561 1.00 45.45 C ATOM 446 C HIS A 30 -9.971 -9.251 -1.605 1.00 62.22 C ATOM 447 O HIS A 30 -10.666 -9.253 -0.603 1.00 45.53 O ATOM 448 CB HIS A 30 -8.619 -7.105 -1.688 1.00 63.24 C ATOM 449 CG HIS A 30 -9.324 -6.611 -2.920 1.00 63.30 C ATOM 450 ND1 HIS A 30 -10.614 -6.132 -2.900 1.00 31.23 N ATOM 451 CD2 HIS A 30 -8.912 -6.515 -4.208 1.00 53.14 C ATOM 452 CE1 HIS A 30 -10.969 -5.780 -4.111 1.00 74.22 C ATOM 453 NE2 HIS A 30 -9.954 -5.997 -4.921 1.00 60.40 N ATOM 0 H HIS A 30 -7.354 -8.519 -3.295 1.00 35.04 H new ATOM 0 HA HIS A 30 -8.103 -8.913 -0.600 1.00 45.45 H new ATOM 0 HB2 HIS A 30 -9.127 -6.706 -0.810 1.00 63.24 H new ATOM 0 HB3 HIS A 30 -7.606 -6.703 -1.680 1.00 63.24 H new ATOM 0 HD1 HIS A 30 -11.203 -6.062 -2.070 1.00 31.23 H new ATOM 0 HD2 HIS A 30 -7.944 -6.795 -4.596 1.00 53.14 H new ATOM 0 HE1 HIS A 30 -11.931 -5.380 -4.396 1.00 74.22 H new ATOM 462 N VAL A 31 -10.399 -9.744 -2.784 1.00 30.55 N ATOM 463 CA VAL A 31 -11.710 -10.415 -2.944 1.00 21.11 C ATOM 464 C VAL A 31 -11.694 -11.807 -2.261 1.00 71.42 C ATOM 465 O VAL A 31 -12.590 -12.132 -1.477 1.00 41.11 O ATOM 466 CB VAL A 31 -12.093 -10.568 -4.463 1.00 61.31 C ATOM 467 CG1 VAL A 31 -13.442 -11.305 -4.647 1.00 62.51 C ATOM 468 CG2 VAL A 31 -12.112 -9.192 -5.169 1.00 11.42 C ATOM 0 H VAL A 31 -9.855 -9.691 -3.645 1.00 30.55 H new ATOM 0 HA VAL A 31 -12.462 -9.790 -2.463 1.00 21.11 H new ATOM 0 HB VAL A 31 -11.324 -11.182 -4.931 1.00 61.31 H new ATOM 0 HG11 VAL A 31 -13.669 -11.389 -5.710 1.00 62.51 H new ATOM 0 HG12 VAL A 31 -13.375 -12.301 -4.210 1.00 62.51 H new ATOM 0 HG13 VAL A 31 -14.234 -10.744 -4.151 1.00 62.51 H new ATOM 0 HG21 VAL A 31 -12.379 -9.325 -6.217 1.00 11.42 H new ATOM 0 HG22 VAL A 31 -12.845 -8.546 -4.687 1.00 11.42 H new ATOM 0 HG23 VAL A 31 -11.125 -8.735 -5.101 1.00 11.42 H new ATOM 478 N ALA A 32 -10.638 -12.592 -2.563 1.00 33.32 N ATOM 479 CA ALA A 32 -10.427 -13.945 -1.982 1.00 50.03 C ATOM 480 C ALA A 32 -10.285 -13.897 -0.438 1.00 55.31 C ATOM 481 O ALA A 32 -10.716 -14.814 0.271 1.00 41.10 O ATOM 482 CB ALA A 32 -9.185 -14.598 -2.622 1.00 55.22 C ATOM 0 H ALA A 32 -9.906 -12.311 -3.215 1.00 33.32 H new ATOM 0 HA ALA A 32 -11.308 -14.548 -2.203 1.00 50.03 H new ATOM 0 HB1 ALA A 32 -9.034 -15.589 -2.194 1.00 55.22 H new ATOM 0 HB2 ALA A 32 -9.334 -14.687 -3.698 1.00 55.22 H new ATOM 0 HB3 ALA A 32 -8.308 -13.981 -2.427 1.00 55.22 H new ATOM 488 N ILE A 33 -9.668 -12.811 0.054 1.00 73.03 N ATOM 489 CA ILE A 33 -9.479 -12.555 1.502 1.00 1.33 C ATOM 490 C ILE A 33 -10.764 -11.952 2.153 1.00 65.45 C ATOM 491 O ILE A 33 -11.080 -12.249 3.311 1.00 71.02 O ATOM 492 CB ILE A 33 -8.241 -11.594 1.708 1.00 43.20 C ATOM 493 CG1 ILE A 33 -6.937 -12.267 1.147 1.00 4.32 C ATOM 494 CG2 ILE A 33 -8.055 -11.180 3.191 1.00 54.35 C ATOM 495 CD1 ILE A 33 -5.705 -11.375 1.117 1.00 1.24 C ATOM 0 H ILE A 33 -9.282 -12.078 -0.540 1.00 73.03 H new ATOM 0 HA ILE A 33 -9.286 -13.506 1.999 1.00 1.33 H new ATOM 0 HB ILE A 33 -8.439 -10.679 1.150 1.00 43.20 H new ATOM 0 HG12 ILE A 33 -6.714 -13.147 1.751 1.00 4.32 H new ATOM 0 HG13 ILE A 33 -7.136 -12.618 0.134 1.00 4.32 H new ATOM 0 HG21 ILE A 33 -7.192 -10.520 3.279 1.00 54.35 H new ATOM 0 HG22 ILE A 33 -8.947 -10.659 3.538 1.00 54.35 H new ATOM 0 HG23 ILE A 33 -7.895 -12.070 3.800 1.00 54.35 H new ATOM 0 HD11 ILE A 33 -4.861 -11.934 0.713 1.00 1.24 H new ATOM 0 HD12 ILE A 33 -5.900 -10.507 0.487 1.00 1.24 H new ATOM 0 HD13 ILE A 33 -5.471 -11.044 2.129 1.00 1.24 H new ATOM 507 N GLY A 34 -11.503 -11.123 1.391 1.00 10.54 N ATOM 508 CA GLY A 34 -12.675 -10.381 1.911 1.00 74.52 C ATOM 509 C GLY A 34 -12.318 -8.978 2.434 1.00 31.43 C ATOM 510 O GLY A 34 -13.078 -8.373 3.201 1.00 13.05 O ATOM 0 H GLY A 34 -11.309 -10.947 0.405 1.00 10.54 H new ATOM 0 HA2 GLY A 34 -13.419 -10.289 1.120 1.00 74.52 H new ATOM 0 HA3 GLY A 34 -13.134 -10.956 2.715 1.00 74.52 H new ATOM 514 N ALA A 35 -11.150 -8.475 2.008 1.00 42.32 N ATOM 515 CA ALA A 35 -10.617 -7.155 2.392 1.00 1.10 C ATOM 516 C ALA A 35 -11.171 -6.014 1.505 1.00 55.24 C ATOM 517 O ALA A 35 -11.204 -6.127 0.270 1.00 63.21 O ATOM 518 CB ALA A 35 -9.093 -7.193 2.301 1.00 13.22 C ATOM 0 H ALA A 35 -10.535 -8.984 1.373 1.00 42.32 H new ATOM 0 HA ALA A 35 -10.935 -6.946 3.413 1.00 1.10 H new ATOM 0 HB1 ALA A 35 -8.687 -6.221 2.583 1.00 13.22 H new ATOM 0 HB2 ALA A 35 -8.707 -7.957 2.976 1.00 13.22 H new ATOM 0 HB3 ALA A 35 -8.795 -7.428 1.279 1.00 13.22 H new ATOM 524 N ASP A 36 -11.574 -4.907 2.155 1.00 43.25 N ATOM 525 CA ASP A 36 -12.067 -3.691 1.473 1.00 1.53 C ATOM 526 C ASP A 36 -10.860 -2.828 1.014 1.00 11.23 C ATOM 527 O ASP A 36 -10.306 -2.061 1.805 1.00 23.43 O ATOM 528 CB ASP A 36 -12.981 -2.879 2.430 1.00 63.01 C ATOM 529 CG ASP A 36 -14.028 -3.751 3.139 1.00 40.50 C ATOM 530 OD1 ASP A 36 -15.082 -4.045 2.540 1.00 70.53 O ATOM 531 OD2 ASP A 36 -13.792 -4.152 4.305 1.00 34.45 O ATOM 0 H ASP A 36 -11.568 -4.828 3.172 1.00 43.25 H new ATOM 0 HA ASP A 36 -12.651 -3.978 0.598 1.00 1.53 H new ATOM 0 HB2 ASP A 36 -12.364 -2.381 3.178 1.00 63.01 H new ATOM 0 HB3 ASP A 36 -13.489 -2.098 1.864 1.00 63.01 H new ATOM 536 N CYS A 37 -10.464 -2.964 -0.268 1.00 42.11 N ATOM 537 CA CYS A 37 -9.198 -2.382 -0.804 1.00 43.45 C ATOM 538 C CYS A 37 -9.156 -0.835 -0.726 1.00 1.24 C ATOM 539 O CYS A 37 -8.093 -0.257 -0.511 1.00 2.32 O ATOM 540 CB CYS A 37 -8.987 -2.831 -2.267 1.00 23.12 C ATOM 541 SG CYS A 37 -10.263 -2.248 -3.404 1.00 52.02 S ATOM 0 H CYS A 37 -11.004 -3.477 -0.965 1.00 42.11 H new ATOM 0 HA CYS A 37 -8.393 -2.756 -0.171 1.00 43.45 H new ATOM 0 HB2 CYS A 37 -8.017 -2.472 -2.610 1.00 23.12 H new ATOM 0 HB3 CYS A 37 -8.954 -3.920 -2.301 1.00 23.12 H new ATOM 0 HG CYS A 37 -10.404 -3.103 -4.373 1.00 52.02 H new ATOM 547 N GLU A 38 -10.321 -0.183 -0.924 1.00 21.00 N ATOM 548 CA GLU A 38 -10.476 1.286 -0.751 1.00 61.12 C ATOM 549 C GLU A 38 -10.170 1.730 0.699 1.00 24.30 C ATOM 550 O GLU A 38 -9.384 2.655 0.933 1.00 20.02 O ATOM 551 CB GLU A 38 -11.918 1.705 -1.139 1.00 32.12 C ATOM 552 CG GLU A 38 -12.301 3.153 -0.750 1.00 32.10 C ATOM 553 CD GLU A 38 -13.736 3.526 -1.140 1.00 52.43 C ATOM 554 OE1 GLU A 38 -14.672 3.208 -0.367 1.00 2.43 O ATOM 555 OE2 GLU A 38 -13.940 4.127 -2.222 1.00 44.44 O ATOM 0 H GLU A 38 -11.181 -0.653 -1.207 1.00 21.00 H new ATOM 0 HA GLU A 38 -9.757 1.779 -1.405 1.00 61.12 H new ATOM 0 HB2 GLU A 38 -12.037 1.590 -2.216 1.00 32.12 H new ATOM 0 HB3 GLU A 38 -12.620 1.019 -0.666 1.00 32.12 H new ATOM 0 HG2 GLU A 38 -12.181 3.277 0.326 1.00 32.10 H new ATOM 0 HG3 GLU A 38 -11.610 3.846 -1.230 1.00 32.10 H new ATOM 562 N ARG A 39 -10.824 1.042 1.643 1.00 14.01 N ATOM 563 CA ARG A 39 -10.701 1.286 3.093 1.00 12.13 C ATOM 564 C ARG A 39 -9.235 1.152 3.575 1.00 22.21 C ATOM 565 O ARG A 39 -8.739 2.011 4.308 1.00 73.21 O ATOM 566 CB ARG A 39 -11.628 0.274 3.806 1.00 33.23 C ATOM 567 CG ARG A 39 -11.674 0.319 5.345 1.00 44.44 C ATOM 568 CD ARG A 39 -12.649 -0.741 5.895 1.00 71.00 C ATOM 569 NE ARG A 39 -12.680 -0.784 7.366 1.00 62.22 N ATOM 570 CZ ARG A 39 -12.976 -1.848 8.093 1.00 32.40 C ATOM 571 NH1 ARG A 39 -13.238 -2.998 7.541 1.00 34.23 N ATOM 572 NH2 ARG A 39 -13.014 -1.754 9.381 1.00 44.32 N ATOM 0 H ARG A 39 -11.468 0.283 1.420 1.00 14.01 H new ATOM 0 HA ARG A 39 -10.998 2.308 3.330 1.00 12.13 H new ATOM 0 HB2 ARG A 39 -12.641 0.425 3.434 1.00 33.23 H new ATOM 0 HB3 ARG A 39 -11.325 -0.729 3.507 1.00 33.23 H new ATOM 0 HG2 ARG A 39 -10.676 0.146 5.748 1.00 44.44 H new ATOM 0 HG3 ARG A 39 -11.984 1.311 5.675 1.00 44.44 H new ATOM 0 HD2 ARG A 39 -13.652 -0.533 5.522 1.00 71.00 H new ATOM 0 HD3 ARG A 39 -12.364 -1.722 5.514 1.00 71.00 H new ATOM 0 HE ARG A 39 -12.455 0.077 7.865 1.00 62.22 H new ATOM 0 HH11 ARG A 39 -13.218 -3.093 6.526 1.00 34.23 H new ATOM 0 HH12 ARG A 39 -13.464 -3.804 8.124 1.00 34.23 H new ATOM 0 HH21 ARG A 39 -12.816 -0.861 9.833 1.00 44.32 H new ATOM 0 HH22 ARG A 39 -13.242 -2.572 9.946 1.00 44.32 H new ATOM 586 N LEU A 40 -8.555 0.080 3.122 1.00 54.11 N ATOM 587 CA LEU A 40 -7.133 -0.187 3.457 1.00 4.03 C ATOM 588 C LEU A 40 -6.208 0.891 2.863 1.00 31.21 C ATOM 589 O LEU A 40 -5.327 1.403 3.550 1.00 55.52 O ATOM 590 CB LEU A 40 -6.702 -1.581 2.936 1.00 10.52 C ATOM 591 CG LEU A 40 -7.590 -2.780 3.384 1.00 11.53 C ATOM 592 CD1 LEU A 40 -7.044 -4.113 2.855 1.00 55.11 C ATOM 593 CD2 LEU A 40 -7.779 -2.824 4.914 1.00 71.30 C ATOM 0 H LEU A 40 -8.971 -0.626 2.515 1.00 54.11 H new ATOM 0 HA LEU A 40 -7.043 -0.164 4.543 1.00 4.03 H new ATOM 0 HB2 LEU A 40 -6.688 -1.552 1.846 1.00 10.52 H new ATOM 0 HB3 LEU A 40 -5.679 -1.769 3.263 1.00 10.52 H new ATOM 0 HG LEU A 40 -8.575 -2.624 2.943 1.00 11.53 H new ATOM 0 HD11 LEU A 40 -7.688 -4.927 3.187 1.00 55.11 H new ATOM 0 HD12 LEU A 40 -7.020 -4.090 1.766 1.00 55.11 H new ATOM 0 HD13 LEU A 40 -6.035 -4.270 3.236 1.00 55.11 H new ATOM 0 HD21 LEU A 40 -8.405 -3.676 5.179 1.00 71.30 H new ATOM 0 HD22 LEU A 40 -6.807 -2.923 5.398 1.00 71.30 H new ATOM 0 HD23 LEU A 40 -8.259 -1.904 5.248 1.00 71.30 H new ATOM 605 N SER A 41 -6.438 1.216 1.574 1.00 73.44 N ATOM 606 CA SER A 41 -5.694 2.267 0.835 1.00 3.50 C ATOM 607 C SER A 41 -5.777 3.636 1.533 1.00 1.04 C ATOM 608 O SER A 41 -4.793 4.366 1.572 1.00 43.02 O ATOM 609 CB SER A 41 -6.230 2.384 -0.603 1.00 63.21 C ATOM 610 OG SER A 41 -5.632 3.456 -1.310 1.00 31.11 O ATOM 0 H SER A 41 -7.151 0.755 1.009 1.00 73.44 H new ATOM 0 HA SER A 41 -4.646 1.968 0.815 1.00 3.50 H new ATOM 0 HB2 SER A 41 -6.044 1.451 -1.135 1.00 63.21 H new ATOM 0 HB3 SER A 41 -7.310 2.526 -0.576 1.00 63.21 H new ATOM 0 HG SER A 41 -6.290 4.171 -1.438 1.00 31.11 H new ATOM 616 N ALA A 42 -6.961 3.953 2.090 1.00 24.42 N ATOM 617 CA ALA A 42 -7.197 5.195 2.860 1.00 14.32 C ATOM 618 C ALA A 42 -6.320 5.260 4.133 1.00 70.42 C ATOM 619 O ALA A 42 -5.888 6.336 4.546 1.00 43.43 O ATOM 620 CB ALA A 42 -8.684 5.311 3.222 1.00 1.45 C ATOM 0 H ALA A 42 -7.785 3.355 2.020 1.00 24.42 H new ATOM 0 HA ALA A 42 -6.913 6.038 2.231 1.00 14.32 H new ATOM 0 HB1 ALA A 42 -8.850 6.227 3.789 1.00 1.45 H new ATOM 0 HB2 ALA A 42 -9.280 5.335 2.310 1.00 1.45 H new ATOM 0 HB3 ALA A 42 -8.980 4.453 3.825 1.00 1.45 H new ATOM 626 N GLN A 43 -6.071 4.085 4.744 1.00 53.32 N ATOM 627 CA GLN A 43 -5.205 3.961 5.942 1.00 22.02 C ATOM 628 C GLN A 43 -3.700 4.040 5.553 1.00 24.34 C ATOM 629 O GLN A 43 -2.880 4.522 6.337 1.00 53.50 O ATOM 630 CB GLN A 43 -5.494 2.628 6.692 1.00 42.31 C ATOM 631 CG GLN A 43 -6.981 2.305 6.940 1.00 3.04 C ATOM 632 CD GLN A 43 -7.732 3.359 7.756 1.00 43.14 C ATOM 633 OE1 GLN A 43 -7.790 3.285 8.975 1.00 61.41 O ATOM 634 NE2 GLN A 43 -8.316 4.337 7.088 1.00 31.13 N ATOM 0 H GLN A 43 -6.460 3.197 4.426 1.00 53.32 H new ATOM 0 HA GLN A 43 -5.433 4.794 6.607 1.00 22.02 H new ATOM 0 HB2 GLN A 43 -5.054 1.810 6.122 1.00 42.31 H new ATOM 0 HB3 GLN A 43 -4.983 2.657 7.654 1.00 42.31 H new ATOM 0 HG2 GLN A 43 -7.479 2.186 5.978 1.00 3.04 H new ATOM 0 HG3 GLN A 43 -7.051 1.347 7.456 1.00 3.04 H new ATOM 0 HE21 GLN A 43 -8.249 4.371 6.071 1.00 31.13 H new ATOM 0 HE22 GLN A 43 -8.834 5.059 7.589 1.00 31.13 H new ATOM 643 N ILE A 44 -3.354 3.539 4.342 1.00 20.54 N ATOM 644 CA ILE A 44 -1.966 3.598 3.800 1.00 73.03 C ATOM 645 C ILE A 44 -1.552 5.060 3.497 1.00 12.44 C ATOM 646 O ILE A 44 -0.523 5.553 3.981 1.00 44.32 O ATOM 647 CB ILE A 44 -1.821 2.734 2.473 1.00 45.30 C ATOM 648 CG1 ILE A 44 -2.212 1.239 2.720 1.00 33.11 C ATOM 649 CG2 ILE A 44 -0.387 2.828 1.876 1.00 10.00 C ATOM 650 CD1 ILE A 44 -2.223 0.350 1.480 1.00 44.15 C ATOM 0 H ILE A 44 -4.019 3.086 3.715 1.00 20.54 H new ATOM 0 HA ILE A 44 -1.309 3.184 4.565 1.00 73.03 H new ATOM 0 HB ILE A 44 -2.515 3.154 1.745 1.00 45.30 H new ATOM 0 HG12 ILE A 44 -1.516 0.814 3.444 1.00 33.11 H new ATOM 0 HG13 ILE A 44 -3.202 1.211 3.175 1.00 33.11 H new ATOM 0 HG21 ILE A 44 -0.330 2.224 0.971 1.00 10.00 H new ATOM 0 HG22 ILE A 44 -0.161 3.867 1.634 1.00 10.00 H new ATOM 0 HG23 ILE A 44 0.335 2.460 2.604 1.00 10.00 H new ATOM 0 HD11 ILE A 44 -2.506 -0.664 1.762 1.00 44.15 H new ATOM 0 HD12 ILE A 44 -2.941 0.740 0.759 1.00 44.15 H new ATOM 0 HD13 ILE A 44 -1.229 0.338 1.032 1.00 44.15 H new ATOM 662 N GLU A 45 -2.394 5.748 2.707 1.00 44.50 N ATOM 663 CA GLU A 45 -2.078 7.082 2.171 1.00 63.00 C ATOM 664 C GLU A 45 -2.064 8.181 3.257 1.00 20.12 C ATOM 665 O GLU A 45 -1.317 9.139 3.133 1.00 52.13 O ATOM 666 CB GLU A 45 -3.003 7.437 0.971 1.00 73.22 C ATOM 667 CG GLU A 45 -4.526 7.502 1.245 1.00 31.01 C ATOM 668 CD GLU A 45 -5.034 8.787 1.919 1.00 33.20 C ATOM 669 OE1 GLU A 45 -4.365 9.836 1.807 1.00 34.02 O ATOM 670 OE2 GLU A 45 -6.116 8.753 2.550 1.00 62.13 O ATOM 0 H GLU A 45 -3.309 5.397 2.423 1.00 44.50 H new ATOM 0 HA GLU A 45 -1.056 7.040 1.793 1.00 63.00 H new ATOM 0 HB2 GLU A 45 -2.689 8.404 0.577 1.00 73.22 H new ATOM 0 HB3 GLU A 45 -2.833 6.702 0.184 1.00 73.22 H new ATOM 0 HG2 GLU A 45 -5.051 7.380 0.298 1.00 31.01 H new ATOM 0 HG3 GLU A 45 -4.799 6.654 1.873 1.00 31.01 H new ATOM 677 N GLU A 46 -2.898 8.039 4.309 1.00 14.42 N ATOM 678 CA GLU A 46 -2.942 9.015 5.431 1.00 53.13 C ATOM 679 C GLU A 46 -1.650 8.964 6.294 1.00 54.13 C ATOM 680 O GLU A 46 -1.227 9.985 6.847 1.00 51.44 O ATOM 681 CB GLU A 46 -4.231 8.845 6.284 1.00 73.23 C ATOM 682 CG GLU A 46 -4.370 7.521 7.086 1.00 33.02 C ATOM 683 CD GLU A 46 -4.015 7.640 8.582 1.00 74.14 C ATOM 684 OE1 GLU A 46 -4.791 8.266 9.334 1.00 71.15 O ATOM 685 OE2 GLU A 46 -2.969 7.115 9.013 1.00 74.42 O ATOM 0 H GLU A 46 -3.551 7.261 4.409 1.00 14.42 H new ATOM 0 HA GLU A 46 -2.982 10.013 4.994 1.00 53.13 H new ATOM 0 HB2 GLU A 46 -4.285 9.676 6.988 1.00 73.23 H new ATOM 0 HB3 GLU A 46 -5.092 8.933 5.621 1.00 73.23 H new ATOM 0 HG2 GLU A 46 -5.395 7.162 6.996 1.00 33.02 H new ATOM 0 HG3 GLU A 46 -3.728 6.767 6.632 1.00 33.02 H new ATOM 692 N CYS A 47 -1.037 7.766 6.397 1.00 35.11 N ATOM 693 CA CYS A 47 0.261 7.575 7.091 1.00 75.24 C ATOM 694 C CYS A 47 1.422 8.282 6.337 1.00 25.52 C ATOM 695 O CYS A 47 2.201 9.034 6.938 1.00 72.41 O ATOM 696 CB CYS A 47 0.564 6.069 7.242 1.00 32.03 C ATOM 697 SG CYS A 47 -0.675 5.161 8.190 1.00 70.35 S ATOM 0 H CYS A 47 -1.422 6.907 6.005 1.00 35.11 H new ATOM 0 HA CYS A 47 0.182 8.028 8.079 1.00 75.24 H new ATOM 0 HB2 CYS A 47 0.645 5.624 6.250 1.00 32.03 H new ATOM 0 HB3 CYS A 47 1.534 5.951 7.725 1.00 32.03 H new ATOM 0 HG CYS A 47 -1.675 4.855 7.417 1.00 70.35 H new ATOM 703 N ILE A 48 1.512 8.038 5.008 1.00 10.34 N ATOM 704 CA ILE A 48 2.525 8.693 4.133 1.00 74.51 C ATOM 705 C ILE A 48 2.190 10.199 3.904 1.00 30.23 C ATOM 706 O ILE A 48 3.076 10.998 3.604 1.00 32.32 O ATOM 707 CB ILE A 48 2.690 7.926 2.754 1.00 24.31 C ATOM 708 CG1 ILE A 48 3.889 8.485 1.905 1.00 42.05 C ATOM 709 CG2 ILE A 48 1.386 7.950 1.933 1.00 14.43 C ATOM 710 CD1 ILE A 48 4.065 7.825 0.544 1.00 13.44 C ATOM 0 H ILE A 48 0.896 7.392 4.514 1.00 10.34 H new ATOM 0 HA ILE A 48 3.482 8.641 4.652 1.00 74.51 H new ATOM 0 HB ILE A 48 2.917 6.889 3.001 1.00 24.31 H new ATOM 0 HG12 ILE A 48 3.745 9.556 1.759 1.00 42.05 H new ATOM 0 HG13 ILE A 48 4.810 8.362 2.476 1.00 42.05 H new ATOM 0 HG21 ILE A 48 1.537 7.415 0.995 1.00 14.43 H new ATOM 0 HG22 ILE A 48 0.590 7.469 2.501 1.00 14.43 H new ATOM 0 HG23 ILE A 48 1.108 8.983 1.721 1.00 14.43 H new ATOM 0 HD11 ILE A 48 4.915 8.273 0.029 1.00 13.44 H new ATOM 0 HD12 ILE A 48 4.243 6.758 0.677 1.00 13.44 H new ATOM 0 HD13 ILE A 48 3.163 7.970 -0.050 1.00 13.44 H new ATOM 722 N PHE A 49 0.901 10.572 4.057 1.00 5.30 N ATOM 723 CA PHE A 49 0.434 11.984 3.968 1.00 43.23 C ATOM 724 C PHE A 49 1.137 12.881 5.015 1.00 33.43 C ATOM 725 O PHE A 49 1.487 14.033 4.737 1.00 14.30 O ATOM 726 CB PHE A 49 -1.114 12.049 4.143 1.00 4.10 C ATOM 727 CG PHE A 49 -1.746 13.447 4.062 1.00 35.42 C ATOM 728 CD1 PHE A 49 -2.114 13.996 2.834 1.00 40.13 C ATOM 729 CD2 PHE A 49 -1.990 14.204 5.214 1.00 53.13 C ATOM 730 CE1 PHE A 49 -2.690 15.253 2.759 1.00 63.33 C ATOM 731 CE2 PHE A 49 -2.564 15.458 5.133 1.00 74.45 C ATOM 732 CZ PHE A 49 -2.920 15.979 3.907 1.00 14.10 C ATOM 0 H PHE A 49 0.151 9.907 4.246 1.00 5.30 H new ATOM 0 HA PHE A 49 0.696 12.364 2.981 1.00 43.23 H new ATOM 0 HB2 PHE A 49 -1.572 11.421 3.379 1.00 4.10 H new ATOM 0 HB3 PHE A 49 -1.369 11.613 5.109 1.00 4.10 H new ATOM 0 HD1 PHE A 49 -1.947 13.432 1.928 1.00 40.13 H new ATOM 0 HD2 PHE A 49 -1.726 13.802 6.181 1.00 53.13 H new ATOM 0 HE1 PHE A 49 -2.960 15.665 1.798 1.00 63.33 H new ATOM 0 HE2 PHE A 49 -2.734 16.032 6.032 1.00 74.45 H new ATOM 0 HZ PHE A 49 -3.379 16.955 3.847 1.00 14.10 H new ATOM 742 N ARG A 50 1.344 12.327 6.211 1.00 33.54 N ATOM 743 CA ARG A 50 2.002 13.038 7.322 1.00 13.24 C ATOM 744 C ARG A 50 3.533 13.174 7.112 1.00 32.00 C ATOM 745 O ARG A 50 4.149 14.114 7.630 1.00 1.02 O ATOM 746 CB ARG A 50 1.685 12.310 8.658 1.00 54.25 C ATOM 747 CG ARG A 50 0.177 12.234 9.006 1.00 3.03 C ATOM 748 CD ARG A 50 -0.494 13.623 9.070 1.00 0.05 C ATOM 749 NE ARG A 50 0.238 14.558 9.956 1.00 45.34 N ATOM 750 CZ ARG A 50 0.339 15.862 9.776 1.00 71.02 C ATOM 751 NH1 ARG A 50 -0.261 16.453 8.794 1.00 20.25 N ATOM 752 NH2 ARG A 50 1.057 16.569 10.585 1.00 31.10 N ATOM 0 H ARG A 50 1.063 11.374 6.442 1.00 33.54 H new ATOM 0 HA ARG A 50 1.606 14.053 7.357 1.00 13.24 H new ATOM 0 HB2 ARG A 50 2.085 11.297 8.609 1.00 54.25 H new ATOM 0 HB3 ARG A 50 2.207 12.820 9.468 1.00 54.25 H new ATOM 0 HG2 ARG A 50 -0.333 11.624 8.261 1.00 3.03 H new ATOM 0 HG3 ARG A 50 0.055 11.732 9.966 1.00 3.03 H new ATOM 0 HD2 ARG A 50 -0.549 14.044 8.066 1.00 0.05 H new ATOM 0 HD3 ARG A 50 -1.518 13.514 9.427 1.00 0.05 H new ATOM 0 HE ARG A 50 0.702 14.161 10.773 1.00 45.34 H new ATOM 0 HH11 ARG A 50 -0.826 15.910 8.140 1.00 20.25 H new ATOM 0 HH12 ARG A 50 -0.170 17.462 8.673 1.00 20.25 H new ATOM 0 HH21 ARG A 50 1.544 16.119 11.360 1.00 31.10 H new ATOM 0 HH22 ARG A 50 1.137 17.577 10.448 1.00 31.10 H new ATOM 766 N ASP A 51 4.143 12.231 6.361 1.00 53.20 N ATOM 767 CA ASP A 51 5.606 12.230 6.105 1.00 1.04 C ATOM 768 C ASP A 51 5.981 13.058 4.837 1.00 64.15 C ATOM 769 O ASP A 51 6.783 13.998 4.906 1.00 12.31 O ATOM 770 CB ASP A 51 6.108 10.764 5.977 1.00 53.31 C ATOM 771 CG ASP A 51 7.647 10.643 5.953 1.00 41.50 C ATOM 772 OD1 ASP A 51 8.269 10.750 7.031 1.00 22.14 O ATOM 773 OD2 ASP A 51 8.237 10.442 4.871 1.00 72.41 O ATOM 0 H ASP A 51 3.646 11.458 5.919 1.00 53.20 H new ATOM 0 HA ASP A 51 6.099 12.711 6.950 1.00 1.04 H new ATOM 0 HB2 ASP A 51 5.718 10.180 6.811 1.00 53.31 H new ATOM 0 HB3 ASP A 51 5.702 10.327 5.064 1.00 53.31 H new ATOM 778 N VAL A 52 5.383 12.698 3.682 1.00 5.42 N ATOM 779 CA VAL A 52 5.685 13.336 2.360 1.00 54.52 C ATOM 780 C VAL A 52 4.461 14.097 1.782 1.00 74.34 C ATOM 781 O VAL A 52 4.616 14.993 0.946 1.00 12.05 O ATOM 782 CB VAL A 52 6.133 12.265 1.276 1.00 73.32 C ATOM 783 CG1 VAL A 52 6.911 12.925 0.116 1.00 52.20 C ATOM 784 CG2 VAL A 52 6.939 11.116 1.895 1.00 20.13 C ATOM 0 H VAL A 52 4.679 11.962 3.627 1.00 5.42 H new ATOM 0 HA VAL A 52 6.497 14.036 2.558 1.00 54.52 H new ATOM 0 HB VAL A 52 5.220 11.834 0.866 1.00 73.32 H new ATOM 0 HG11 VAL A 52 7.202 12.163 -0.607 1.00 52.20 H new ATOM 0 HG12 VAL A 52 6.277 13.665 -0.372 1.00 52.20 H new ATOM 0 HG13 VAL A 52 7.803 13.413 0.508 1.00 52.20 H new ATOM 0 HG21 VAL A 52 7.223 10.409 1.115 1.00 20.13 H new ATOM 0 HG22 VAL A 52 7.837 11.515 2.368 1.00 20.13 H new ATOM 0 HG23 VAL A 52 6.331 10.607 2.643 1.00 20.13 H new ATOM 794 N GLY A 53 3.247 13.731 2.229 1.00 10.54 N ATOM 795 CA GLY A 53 1.995 14.131 1.556 1.00 22.24 C ATOM 796 C GLY A 53 1.489 15.544 1.815 1.00 1.11 C ATOM 797 O GLY A 53 0.287 15.796 1.711 1.00 22.04 O ATOM 0 H GLY A 53 3.104 13.155 3.059 1.00 10.54 H new ATOM 0 HA2 GLY A 53 2.136 14.014 0.482 1.00 22.24 H new ATOM 0 HA3 GLY A 53 1.213 13.432 1.853 1.00 22.24 H new ATOM 801 N ASN A 54 2.393 16.480 2.111 1.00 61.22 N ATOM 802 CA ASN A 54 2.062 17.926 2.158 1.00 4.31 C ATOM 803 C ASN A 54 2.009 18.544 0.718 1.00 3.52 C ATOM 804 O ASN A 54 2.552 19.629 0.464 1.00 72.22 O ATOM 805 CB ASN A 54 3.067 18.667 3.099 1.00 25.41 C ATOM 806 CG ASN A 54 4.548 18.682 2.656 1.00 64.42 C ATOM 807 OD1 ASN A 54 5.017 17.679 1.942 1.00 35.42 O flip ATOM 808 ND2 ASN A 54 5.274 19.609 2.975 1.00 12.42 N flip ATOM 0 H ASN A 54 3.368 16.272 2.325 1.00 61.22 H new ATOM 0 HA ASN A 54 1.063 18.053 2.576 1.00 4.31 H new ATOM 0 HB2 ASN A 54 2.734 19.699 3.208 1.00 25.41 H new ATOM 0 HB3 ASN A 54 3.011 18.208 4.086 1.00 25.41 H new ATOM 0 HD21 ASN A 54 4.902 20.381 3.528 1.00 12.42 H new ATOM 0 HD22 ASN A 54 6.253 19.612 2.689 1.00 12.42 H new ATOM 815 N THR A 55 1.254 17.853 -0.184 1.00 71.11 N ATOM 816 CA THR A 55 1.158 18.142 -1.644 1.00 31.02 C ATOM 817 C THR A 55 2.536 18.499 -2.269 1.00 11.22 C ATOM 818 O THR A 55 2.803 19.655 -2.614 1.00 62.33 O ATOM 819 CB THR A 55 0.063 19.235 -1.966 1.00 73.12 C ATOM 820 OG1 THR A 55 0.359 20.483 -1.301 1.00 2.03 O ATOM 821 CG2 THR A 55 -1.351 18.768 -1.550 1.00 53.11 C ATOM 0 H THR A 55 0.680 17.057 0.094 1.00 71.11 H new ATOM 0 HA THR A 55 0.830 17.217 -2.118 1.00 31.02 H new ATOM 0 HB THR A 55 0.082 19.385 -3.045 1.00 73.12 H new ATOM 0 HG1 THR A 55 1.187 20.390 -0.785 1.00 2.03 H new ATOM 0 HG21 THR A 55 -2.076 19.547 -1.788 1.00 53.11 H new ATOM 0 HG22 THR A 55 -1.607 17.857 -2.091 1.00 53.11 H new ATOM 0 HG23 THR A 55 -1.368 18.571 -0.478 1.00 53.11 H new ATOM 829 N ASP A 56 3.415 17.486 -2.385 1.00 72.21 N ATOM 830 CA ASP A 56 4.862 17.696 -2.639 1.00 34.45 C ATOM 831 C ASP A 56 5.317 17.088 -4.001 1.00 2.31 C ATOM 832 O ASP A 56 4.627 16.243 -4.589 1.00 22.20 O ATOM 833 CB ASP A 56 5.669 17.079 -1.449 1.00 13.14 C ATOM 834 CG ASP A 56 7.006 17.790 -1.157 1.00 64.35 C ATOM 835 OD1 ASP A 56 7.883 17.826 -2.041 1.00 42.25 O ATOM 836 OD2 ASP A 56 7.206 18.289 -0.031 1.00 31.32 O ATOM 0 H ASP A 56 3.150 16.504 -2.307 1.00 72.21 H new ATOM 0 HA ASP A 56 5.056 18.767 -2.706 1.00 34.45 H new ATOM 0 HB2 ASP A 56 5.051 17.108 -0.552 1.00 13.14 H new ATOM 0 HB3 ASP A 56 5.868 16.029 -1.665 1.00 13.14 H new ATOM 841 N MET A 57 6.500 17.535 -4.464 1.00 53.25 N ATOM 842 CA MET A 57 7.148 17.089 -5.717 1.00 72.22 C ATOM 843 C MET A 57 7.449 15.560 -5.709 1.00 72.34 C ATOM 844 O MET A 57 6.882 14.805 -6.511 1.00 44.31 O ATOM 845 CB MET A 57 8.468 17.889 -5.920 1.00 41.05 C ATOM 846 CG MET A 57 8.299 19.414 -5.990 1.00 50.33 C ATOM 847 SD MET A 57 9.880 20.306 -5.929 1.00 31.33 S ATOM 848 CE MET A 57 10.772 19.591 -7.312 1.00 50.22 C ATOM 0 H MET A 57 7.048 18.236 -3.965 1.00 53.25 H new ATOM 0 HA MET A 57 6.460 17.278 -6.541 1.00 72.22 H new ATOM 0 HB2 MET A 57 9.149 17.651 -5.102 1.00 41.05 H new ATOM 0 HB3 MET A 57 8.944 17.549 -6.840 1.00 41.05 H new ATOM 0 HG2 MET A 57 7.776 19.674 -6.910 1.00 50.33 H new ATOM 0 HG3 MET A 57 7.670 19.743 -5.163 1.00 50.33 H new ATOM 0 HE1 MET A 57 11.679 20.167 -7.497 1.00 50.22 H new ATOM 0 HE2 MET A 57 11.038 18.560 -7.079 1.00 50.22 H new ATOM 0 HE3 MET A 57 10.142 19.611 -8.201 1.00 50.22 H new ATOM 858 N LYS A 58 8.339 15.116 -4.779 1.00 34.34 N ATOM 859 CA LYS A 58 8.745 13.683 -4.664 1.00 64.31 C ATOM 860 C LYS A 58 7.560 12.761 -4.294 1.00 44.12 C ATOM 861 O LYS A 58 7.597 11.573 -4.601 1.00 74.44 O ATOM 862 CB LYS A 58 9.947 13.440 -3.687 1.00 31.14 C ATOM 863 CG LYS A 58 9.722 13.739 -2.180 1.00 52.31 C ATOM 864 CD LYS A 58 9.891 15.226 -1.811 1.00 4.10 C ATOM 865 CE LYS A 58 9.813 15.480 -0.292 1.00 45.31 C ATOM 866 NZ LYS A 58 9.946 16.924 0.030 1.00 65.22 N ATOM 0 H LYS A 58 8.789 15.728 -4.098 1.00 34.34 H new ATOM 0 HA LYS A 58 9.090 13.418 -5.663 1.00 64.31 H new ATOM 0 HB2 LYS A 58 10.250 12.397 -3.781 1.00 31.14 H new ATOM 0 HB3 LYS A 58 10.785 14.048 -4.028 1.00 31.14 H new ATOM 0 HG2 LYS A 58 8.719 13.416 -1.900 1.00 52.31 H new ATOM 0 HG3 LYS A 58 10.423 13.146 -1.592 1.00 52.31 H new ATOM 0 HD2 LYS A 58 10.851 15.581 -2.185 1.00 4.10 H new ATOM 0 HD3 LYS A 58 9.119 15.810 -2.312 1.00 4.10 H new ATOM 0 HE2 LYS A 58 8.863 15.108 0.091 1.00 45.31 H new ATOM 0 HE3 LYS A 58 10.601 14.920 0.212 1.00 45.31 H new ATOM 0 HZ1 LYS A 58 9.443 17.130 0.917 1.00 65.22 H new ATOM 0 HZ2 LYS A 58 10.952 17.164 0.139 1.00 65.22 H new ATOM 0 HZ3 LYS A 58 9.537 17.491 -0.740 1.00 65.22 H new ATOM 880 N TYR A 59 6.530 13.324 -3.619 1.00 4.01 N ATOM 881 CA TYR A 59 5.315 12.579 -3.187 1.00 71.53 C ATOM 882 C TYR A 59 4.632 11.812 -4.353 1.00 33.54 C ATOM 883 O TYR A 59 4.181 10.682 -4.165 1.00 4.12 O ATOM 884 CB TYR A 59 4.310 13.555 -2.512 1.00 44.53 C ATOM 885 CG TYR A 59 3.002 12.919 -1.981 1.00 2.22 C ATOM 886 CD1 TYR A 59 3.025 11.859 -1.059 1.00 33.12 C ATOM 887 CD2 TYR A 59 1.744 13.380 -2.398 1.00 64.41 C ATOM 888 CE1 TYR A 59 1.852 11.298 -0.575 1.00 22.32 C ATOM 889 CE2 TYR A 59 0.573 12.822 -1.912 1.00 44.11 C ATOM 890 CZ TYR A 59 0.630 11.781 -1.006 1.00 70.24 C ATOM 891 OH TYR A 59 -0.537 11.231 -0.521 1.00 63.35 O ATOM 0 H TYR A 59 6.515 14.309 -3.356 1.00 4.01 H new ATOM 0 HA TYR A 59 5.636 11.826 -2.467 1.00 71.53 H new ATOM 0 HB2 TYR A 59 4.815 14.048 -1.681 1.00 44.53 H new ATOM 0 HB3 TYR A 59 4.048 14.331 -3.231 1.00 44.53 H new ATOM 0 HD1 TYR A 59 3.975 11.473 -0.720 1.00 33.12 H new ATOM 0 HD2 TYR A 59 1.688 14.187 -3.113 1.00 64.41 H new ATOM 0 HE1 TYR A 59 1.893 10.486 0.136 1.00 22.32 H new ATOM 0 HE2 TYR A 59 -0.383 13.200 -2.241 1.00 44.11 H new ATOM 0 HH TYR A 59 -0.792 10.463 -1.074 1.00 63.35 H new ATOM 901 N LYS A 60 4.583 12.431 -5.547 1.00 22.30 N ATOM 902 CA LYS A 60 4.019 11.792 -6.766 1.00 14.14 C ATOM 903 C LYS A 60 4.793 10.508 -7.155 1.00 51.34 C ATOM 904 O LYS A 60 4.187 9.453 -7.380 1.00 34.34 O ATOM 905 CB LYS A 60 4.012 12.809 -7.943 1.00 64.43 C ATOM 906 CG LYS A 60 3.033 13.986 -7.741 1.00 61.31 C ATOM 907 CD LYS A 60 1.553 13.521 -7.686 1.00 5.24 C ATOM 908 CE LYS A 60 0.580 14.653 -7.313 1.00 43.51 C ATOM 909 NZ LYS A 60 0.645 15.801 -8.252 1.00 71.23 N ATOM 0 H LYS A 60 4.928 13.379 -5.701 1.00 22.30 H new ATOM 0 HA LYS A 60 2.994 11.494 -6.545 1.00 14.14 H new ATOM 0 HB2 LYS A 60 5.019 13.204 -8.076 1.00 64.43 H new ATOM 0 HB3 LYS A 60 3.751 12.285 -8.863 1.00 64.43 H new ATOM 0 HG2 LYS A 60 3.282 14.508 -6.817 1.00 61.31 H new ATOM 0 HG3 LYS A 60 3.156 14.701 -8.554 1.00 61.31 H new ATOM 0 HD2 LYS A 60 1.270 13.112 -8.656 1.00 5.24 H new ATOM 0 HD3 LYS A 60 1.458 12.714 -6.959 1.00 5.24 H new ATOM 0 HE2 LYS A 60 -0.437 14.261 -7.296 1.00 43.51 H new ATOM 0 HE3 LYS A 60 0.804 15.001 -6.305 1.00 43.51 H new ATOM 0 HZ1 LYS A 60 -0.031 16.533 -7.953 1.00 71.23 H new ATOM 0 HZ2 LYS A 60 1.607 16.196 -8.251 1.00 71.23 H new ATOM 0 HZ3 LYS A 60 0.404 15.479 -9.211 1.00 71.23 H new ATOM 923 N ASN A 61 6.135 10.617 -7.198 1.00 62.14 N ATOM 924 CA ASN A 61 7.039 9.482 -7.502 1.00 22.14 C ATOM 925 C ASN A 61 6.994 8.402 -6.384 1.00 24.14 C ATOM 926 O ASN A 61 7.076 7.209 -6.657 1.00 22.14 O ATOM 927 CB ASN A 61 8.495 9.991 -7.692 1.00 51.45 C ATOM 928 CG ASN A 61 8.671 10.955 -8.874 1.00 71.22 C ATOM 929 OD1 ASN A 61 7.764 11.696 -9.235 1.00 53.14 O ATOM 930 ND2 ASN A 61 9.845 10.969 -9.482 1.00 22.32 N ATOM 0 H ASN A 61 6.627 11.493 -7.023 1.00 62.14 H new ATOM 0 HA ASN A 61 6.695 9.022 -8.428 1.00 22.14 H new ATOM 0 HB2 ASN A 61 8.816 10.491 -6.778 1.00 51.45 H new ATOM 0 HB3 ASN A 61 9.153 9.134 -7.835 1.00 51.45 H new ATOM 0 HD21 ASN A 61 10.007 11.603 -10.264 1.00 22.32 H new ATOM 0 HD22 ASN A 61 10.589 10.346 -9.169 1.00 22.32 H new ATOM 937 N ARG A 62 6.837 8.859 -5.137 1.00 42.53 N ATOM 938 CA ARG A 62 6.846 8.002 -3.931 1.00 64.24 C ATOM 939 C ARG A 62 5.576 7.104 -3.860 1.00 33.42 C ATOM 940 O ARG A 62 5.652 5.930 -3.462 1.00 22.41 O ATOM 941 CB ARG A 62 6.987 8.923 -2.678 1.00 33.01 C ATOM 942 CG ARG A 62 7.169 8.241 -1.298 1.00 2.22 C ATOM 943 CD ARG A 62 8.363 7.265 -1.226 1.00 3.40 C ATOM 944 NE ARG A 62 8.023 5.930 -1.765 1.00 73.21 N ATOM 945 CZ ARG A 62 8.853 5.103 -2.356 1.00 74.11 C ATOM 946 NH1 ARG A 62 10.079 5.438 -2.629 1.00 23.24 N ATOM 947 NH2 ARG A 62 8.430 3.928 -2.705 1.00 61.24 N ATOM 0 H ARG A 62 6.698 9.847 -4.927 1.00 42.53 H new ATOM 0 HA ARG A 62 7.693 7.316 -3.969 1.00 64.24 H new ATOM 0 HB2 ARG A 62 7.839 9.582 -2.841 1.00 33.01 H new ATOM 0 HB3 ARG A 62 6.101 9.555 -2.625 1.00 33.01 H new ATOM 0 HG2 ARG A 62 7.298 9.012 -0.539 1.00 2.22 H new ATOM 0 HG3 ARG A 62 6.256 7.699 -1.050 1.00 2.22 H new ATOM 0 HD2 ARG A 62 9.203 7.678 -1.785 1.00 3.40 H new ATOM 0 HD3 ARG A 62 8.688 7.166 -0.190 1.00 3.40 H new ATOM 0 HE ARG A 62 7.055 5.624 -1.668 1.00 73.21 H new ATOM 0 HH11 ARG A 62 10.421 6.367 -2.383 1.00 23.24 H new ATOM 0 HH12 ARG A 62 10.699 4.772 -3.089 1.00 23.24 H new ATOM 0 HH21 ARG A 62 7.464 3.658 -2.519 1.00 61.24 H new ATOM 0 HH22 ARG A 62 9.063 3.274 -3.165 1.00 61.24 H new ATOM 961 N VAL A 63 4.423 7.664 -4.270 1.00 33.42 N ATOM 962 CA VAL A 63 3.130 6.933 -4.320 1.00 31.01 C ATOM 963 C VAL A 63 3.088 5.909 -5.486 1.00 44.53 C ATOM 964 O VAL A 63 2.659 4.771 -5.291 1.00 22.21 O ATOM 965 CB VAL A 63 1.911 7.936 -4.418 1.00 34.21 C ATOM 966 CG1 VAL A 63 0.562 7.206 -4.649 1.00 74.34 C ATOM 967 CG2 VAL A 63 1.835 8.813 -3.147 1.00 73.01 C ATOM 0 H VAL A 63 4.355 8.634 -4.577 1.00 33.42 H new ATOM 0 HA VAL A 63 3.044 6.375 -3.388 1.00 31.01 H new ATOM 0 HB VAL A 63 2.086 8.571 -5.286 1.00 34.21 H new ATOM 0 HG11 VAL A 63 -0.243 7.939 -4.709 1.00 74.34 H new ATOM 0 HG12 VAL A 63 0.609 6.641 -5.580 1.00 74.34 H new ATOM 0 HG13 VAL A 63 0.371 6.524 -3.820 1.00 74.34 H new ATOM 0 HG21 VAL A 63 0.992 9.499 -3.228 1.00 73.01 H new ATOM 0 HG22 VAL A 63 1.702 8.176 -2.273 1.00 73.01 H new ATOM 0 HG23 VAL A 63 2.758 9.384 -3.043 1.00 73.01 H new ATOM 977 N ARG A 64 3.536 6.310 -6.696 1.00 2.24 N ATOM 978 CA ARG A 64 3.541 5.407 -7.883 1.00 54.43 C ATOM 979 C ARG A 64 4.590 4.266 -7.748 1.00 63.43 C ATOM 980 O ARG A 64 4.421 3.190 -8.324 1.00 13.31 O ATOM 981 CB ARG A 64 3.716 6.202 -9.202 1.00 51.13 C ATOM 982 CG ARG A 64 5.041 6.967 -9.336 1.00 33.10 C ATOM 983 CD ARG A 64 5.120 7.796 -10.632 1.00 33.51 C ATOM 984 NE ARG A 64 5.054 6.948 -11.832 1.00 11.52 N ATOM 985 CZ ARG A 64 4.692 7.343 -13.032 1.00 71.52 C ATOM 986 NH1 ARG A 64 4.314 8.564 -13.265 1.00 34.30 N ATOM 987 NH2 ARG A 64 4.701 6.496 -13.999 1.00 1.13 N ATOM 0 H ARG A 64 3.898 7.245 -6.883 1.00 2.24 H new ATOM 0 HA ARG A 64 2.563 4.927 -7.922 1.00 54.43 H new ATOM 0 HB2 ARG A 64 3.629 5.509 -10.039 1.00 51.13 H new ATOM 0 HB3 ARG A 64 2.894 6.913 -9.290 1.00 51.13 H new ATOM 0 HG2 ARG A 64 5.162 7.629 -8.478 1.00 33.10 H new ATOM 0 HG3 ARG A 64 5.869 6.259 -9.312 1.00 33.10 H new ATOM 0 HD2 ARG A 64 4.303 8.517 -10.652 1.00 33.51 H new ATOM 0 HD3 ARG A 64 6.049 8.367 -10.642 1.00 33.51 H new ATOM 0 HE ARG A 64 5.312 5.967 -11.723 1.00 11.52 H new ATOM 0 HH11 ARG A 64 4.293 9.245 -12.506 1.00 34.30 H new ATOM 0 HH12 ARG A 64 4.039 8.842 -14.207 1.00 34.30 H new ATOM 0 HH21 ARG A 64 4.987 5.532 -13.830 1.00 1.13 H new ATOM 0 HH22 ARG A 64 4.423 6.788 -14.936 1.00 1.13 H new ATOM 1001 N SER A 65 5.679 4.524 -6.993 1.00 42.44 N ATOM 1002 CA SER A 65 6.658 3.475 -6.597 1.00 12.03 C ATOM 1003 C SER A 65 6.032 2.430 -5.635 1.00 61.24 C ATOM 1004 O SER A 65 6.482 1.286 -5.581 1.00 32.04 O ATOM 1005 CB SER A 65 7.930 4.097 -5.978 1.00 72.41 C ATOM 1006 OG SER A 65 8.672 4.837 -6.940 1.00 42.43 O ATOM 0 H SER A 65 5.908 5.454 -6.641 1.00 42.44 H new ATOM 0 HA SER A 65 6.945 2.951 -7.508 1.00 12.03 H new ATOM 0 HB2 SER A 65 7.651 4.751 -5.151 1.00 72.41 H new ATOM 0 HB3 SER A 65 8.557 3.308 -5.563 1.00 72.41 H new ATOM 0 HG SER A 65 8.292 5.736 -7.025 1.00 42.43 H new ATOM 1012 N ARG A 66 5.032 2.848 -4.828 1.00 43.32 N ATOM 1013 CA ARG A 66 4.198 1.897 -4.050 1.00 74.23 C ATOM 1014 C ARG A 66 3.362 1.018 -5.009 1.00 34.04 C ATOM 1015 O ARG A 66 3.443 -0.207 -4.956 1.00 73.42 O ATOM 1016 CB ARG A 66 3.256 2.647 -3.061 1.00 52.02 C ATOM 1017 CG ARG A 66 3.976 3.416 -1.938 1.00 72.42 C ATOM 1018 CD ARG A 66 4.755 2.472 -1.012 1.00 23.23 C ATOM 1019 NE ARG A 66 5.556 3.192 -0.009 1.00 33.15 N ATOM 1020 CZ ARG A 66 6.638 2.714 0.566 1.00 2.30 C ATOM 1021 NH1 ARG A 66 7.114 1.547 0.238 1.00 34.43 N ATOM 1022 NH2 ARG A 66 7.238 3.401 1.478 1.00 3.50 N ATOM 0 H ARG A 66 4.782 3.828 -4.697 1.00 43.32 H new ATOM 0 HA ARG A 66 4.866 1.263 -3.467 1.00 74.23 H new ATOM 0 HB2 ARG A 66 2.643 3.349 -3.627 1.00 52.02 H new ATOM 0 HB3 ARG A 66 2.577 1.924 -2.609 1.00 52.02 H new ATOM 0 HG2 ARG A 66 4.660 4.143 -2.376 1.00 72.42 H new ATOM 0 HG3 ARG A 66 3.246 3.977 -1.355 1.00 72.42 H new ATOM 0 HD2 ARG A 66 4.055 1.809 -0.504 1.00 23.23 H new ATOM 0 HD3 ARG A 66 5.412 1.842 -1.612 1.00 23.23 H new ATOM 0 HE ARG A 66 5.251 4.128 0.259 1.00 33.15 H new ATOM 0 HH11 ARG A 66 6.647 0.988 -0.475 1.00 34.43 H new ATOM 0 HH12 ARG A 66 7.954 1.192 0.695 1.00 34.43 H new ATOM 0 HH21 ARG A 66 6.873 4.313 1.752 1.00 3.50 H new ATOM 0 HH22 ARG A 66 8.077 3.032 1.925 1.00 3.50 H new ATOM 1036 N ILE A 67 2.610 1.688 -5.909 1.00 74.20 N ATOM 1037 CA ILE A 67 1.682 1.048 -6.887 1.00 35.31 C ATOM 1038 C ILE A 67 2.373 -0.051 -7.737 1.00 33.40 C ATOM 1039 O ILE A 67 1.826 -1.151 -7.909 1.00 45.41 O ATOM 1040 CB ILE A 67 1.067 2.145 -7.843 1.00 75.23 C ATOM 1041 CG1 ILE A 67 0.311 3.229 -7.011 1.00 1.24 C ATOM 1042 CG2 ILE A 67 0.135 1.539 -8.933 1.00 75.15 C ATOM 1043 CD1 ILE A 67 -0.126 4.446 -7.799 1.00 1.44 C ATOM 0 H ILE A 67 2.626 2.705 -5.983 1.00 74.20 H new ATOM 0 HA ILE A 67 0.894 0.566 -6.309 1.00 35.31 H new ATOM 0 HB ILE A 67 1.900 2.613 -8.369 1.00 75.23 H new ATOM 0 HG12 ILE A 67 -0.569 2.771 -6.559 1.00 1.24 H new ATOM 0 HG13 ILE A 67 0.956 3.555 -6.195 1.00 1.24 H new ATOM 0 HG21 ILE A 67 -0.259 2.339 -9.560 1.00 75.15 H new ATOM 0 HG22 ILE A 67 0.701 0.840 -9.549 1.00 75.15 H new ATOM 0 HG23 ILE A 67 -0.691 1.013 -8.454 1.00 75.15 H new ATOM 0 HD11 ILE A 67 -0.642 5.142 -7.137 1.00 1.44 H new ATOM 0 HD12 ILE A 67 0.749 4.934 -8.229 1.00 1.44 H new ATOM 0 HD13 ILE A 67 -0.800 4.139 -8.599 1.00 1.44 H new ATOM 1055 N SER A 68 3.580 0.275 -8.244 1.00 34.42 N ATOM 1056 CA SER A 68 4.399 -0.629 -9.085 1.00 3.11 C ATOM 1057 C SER A 68 4.756 -1.941 -8.342 1.00 22.45 C ATOM 1058 O SER A 68 4.516 -3.033 -8.854 1.00 20.51 O ATOM 1059 CB SER A 68 5.698 0.093 -9.529 1.00 14.21 C ATOM 1060 OG SER A 68 6.483 0.476 -8.408 1.00 0.42 O ATOM 0 H SER A 68 4.019 1.181 -8.081 1.00 34.42 H new ATOM 0 HA SER A 68 3.806 -0.892 -9.961 1.00 3.11 H new ATOM 0 HB2 SER A 68 6.279 -0.564 -10.176 1.00 14.21 H new ATOM 0 HB3 SER A 68 5.444 0.975 -10.117 1.00 14.21 H new ATOM 0 HG SER A 68 7.296 0.927 -8.717 1.00 0.42 H new ATOM 1066 N ASN A 69 5.292 -1.797 -7.114 1.00 61.21 N ATOM 1067 CA ASN A 69 5.743 -2.937 -6.272 1.00 72.13 C ATOM 1068 C ASN A 69 4.566 -3.758 -5.688 1.00 41.10 C ATOM 1069 O ASN A 69 4.720 -4.955 -5.417 1.00 65.23 O ATOM 1070 CB ASN A 69 6.683 -2.417 -5.155 1.00 51.22 C ATOM 1071 CG ASN A 69 8.075 -2.057 -5.683 1.00 21.05 C ATOM 1072 OD1 ASN A 69 9.007 -2.851 -5.598 1.00 72.20 O ATOM 1073 ND2 ASN A 69 8.215 -0.899 -6.297 1.00 51.23 N ATOM 0 H ASN A 69 5.427 -0.888 -6.672 1.00 61.21 H new ATOM 0 HA ASN A 69 6.293 -3.626 -6.913 1.00 72.13 H new ATOM 0 HB2 ASN A 69 6.237 -1.539 -4.688 1.00 51.22 H new ATOM 0 HB3 ASN A 69 6.777 -3.178 -4.380 1.00 51.22 H new ATOM 0 HD21 ASN A 69 9.112 -0.648 -6.713 1.00 51.23 H new ATOM 0 HD22 ASN A 69 7.427 -0.254 -6.356 1.00 51.23 H new ATOM 1080 N LEU A 70 3.403 -3.110 -5.502 1.00 52.25 N ATOM 1081 CA LEU A 70 2.170 -3.796 -5.053 1.00 53.44 C ATOM 1082 C LEU A 70 1.665 -4.799 -6.125 1.00 72.52 C ATOM 1083 O LEU A 70 1.303 -5.927 -5.804 1.00 50.15 O ATOM 1084 CB LEU A 70 1.068 -2.751 -4.693 1.00 25.44 C ATOM 1085 CG LEU A 70 1.308 -1.941 -3.365 1.00 2.43 C ATOM 1086 CD1 LEU A 70 0.321 -0.757 -3.209 1.00 1.23 C ATOM 1087 CD2 LEU A 70 1.237 -2.863 -2.130 1.00 35.12 C ATOM 0 H LEU A 70 3.287 -2.108 -5.655 1.00 52.25 H new ATOM 0 HA LEU A 70 2.404 -4.369 -4.155 1.00 53.44 H new ATOM 0 HB2 LEU A 70 0.979 -2.044 -5.518 1.00 25.44 H new ATOM 0 HB3 LEU A 70 0.113 -3.270 -4.614 1.00 25.44 H new ATOM 0 HG LEU A 70 2.312 -1.523 -3.434 1.00 2.43 H new ATOM 0 HD11 LEU A 70 0.528 -0.231 -2.277 1.00 1.23 H new ATOM 0 HD12 LEU A 70 0.440 -0.071 -4.048 1.00 1.23 H new ATOM 0 HD13 LEU A 70 -0.701 -1.135 -3.192 1.00 1.23 H new ATOM 0 HD21 LEU A 70 1.407 -2.276 -1.227 1.00 35.12 H new ATOM 0 HD22 LEU A 70 0.253 -3.329 -2.080 1.00 35.12 H new ATOM 0 HD23 LEU A 70 2.001 -3.636 -2.209 1.00 35.12 H new ATOM 1099 N LYS A 71 1.680 -4.381 -7.405 1.00 71.04 N ATOM 1100 CA LYS A 71 1.241 -5.240 -8.544 1.00 71.10 C ATOM 1101 C LYS A 71 2.418 -6.042 -9.178 1.00 24.01 C ATOM 1102 O LYS A 71 2.208 -6.771 -10.157 1.00 33.34 O ATOM 1103 CB LYS A 71 0.544 -4.368 -9.631 1.00 32.11 C ATOM 1104 CG LYS A 71 1.468 -3.337 -10.326 1.00 2.24 C ATOM 1105 CD LYS A 71 0.752 -2.510 -11.424 1.00 51.42 C ATOM 1106 CE LYS A 71 -0.427 -1.681 -10.893 1.00 71.23 C ATOM 1107 NZ LYS A 71 -1.042 -0.851 -11.962 1.00 1.24 N ATOM 0 H LYS A 71 1.991 -3.451 -7.687 1.00 71.04 H new ATOM 0 HA LYS A 71 0.535 -5.968 -8.144 1.00 71.10 H new ATOM 0 HB2 LYS A 71 0.122 -5.027 -10.390 1.00 32.11 H new ATOM 0 HB3 LYS A 71 -0.289 -3.837 -9.171 1.00 32.11 H new ATOM 0 HG2 LYS A 71 1.871 -2.658 -9.575 1.00 2.24 H new ATOM 0 HG3 LYS A 71 2.315 -3.860 -10.770 1.00 2.24 H new ATOM 0 HD2 LYS A 71 1.474 -1.842 -11.894 1.00 51.42 H new ATOM 0 HD3 LYS A 71 0.391 -3.185 -12.200 1.00 51.42 H new ATOM 0 HE2 LYS A 71 -1.180 -2.347 -10.472 1.00 71.23 H new ATOM 0 HE3 LYS A 71 -0.083 -1.036 -10.084 1.00 71.23 H new ATOM 0 HZ1 LYS A 71 -1.834 -0.306 -11.566 1.00 1.24 H new ATOM 0 HZ2 LYS A 71 -0.330 -0.198 -12.347 1.00 1.24 H new ATOM 0 HZ3 LYS A 71 -1.393 -1.468 -12.722 1.00 1.24 H new ATOM 1121 N ASP A 72 3.639 -5.913 -8.616 1.00 15.01 N ATOM 1122 CA ASP A 72 4.865 -6.541 -9.182 1.00 72.11 C ATOM 1123 C ASP A 72 4.942 -8.057 -8.844 1.00 23.34 C ATOM 1124 O ASP A 72 4.487 -8.494 -7.782 1.00 13.30 O ATOM 1125 CB ASP A 72 6.121 -5.796 -8.664 1.00 41.52 C ATOM 1126 CG ASP A 72 7.397 -6.133 -9.450 1.00 45.22 C ATOM 1127 OD1 ASP A 72 7.616 -5.546 -10.532 1.00 31.53 O ATOM 1128 OD2 ASP A 72 8.174 -6.995 -9.007 1.00 41.31 O ATOM 0 H ASP A 72 3.808 -5.377 -7.765 1.00 15.01 H new ATOM 0 HA ASP A 72 4.822 -6.457 -10.268 1.00 72.11 H new ATOM 0 HB2 ASP A 72 5.944 -4.722 -8.716 1.00 41.52 H new ATOM 0 HB3 ASP A 72 6.274 -6.044 -7.614 1.00 41.52 H new ATOM 1133 N ALA A 73 5.549 -8.842 -9.762 1.00 20.14 N ATOM 1134 CA ALA A 73 5.582 -10.325 -9.679 1.00 31.32 C ATOM 1135 C ALA A 73 6.723 -10.871 -8.782 1.00 21.22 C ATOM 1136 O ALA A 73 6.707 -12.055 -8.424 1.00 24.14 O ATOM 1137 CB ALA A 73 5.667 -10.916 -11.099 1.00 22.21 C ATOM 0 H ALA A 73 6.030 -8.469 -10.581 1.00 20.14 H new ATOM 0 HA ALA A 73 4.656 -10.641 -9.198 1.00 31.32 H new ATOM 0 HB1 ALA A 73 5.691 -12.004 -11.039 1.00 22.21 H new ATOM 0 HB2 ALA A 73 4.797 -10.604 -11.676 1.00 22.21 H new ATOM 0 HB3 ALA A 73 6.573 -10.559 -11.588 1.00 22.21 H new ATOM 1143 N LYS A 74 7.711 -10.020 -8.426 1.00 74.34 N ATOM 1144 CA LYS A 74 8.820 -10.420 -7.513 1.00 72.01 C ATOM 1145 C LYS A 74 8.329 -10.593 -6.058 1.00 43.24 C ATOM 1146 O LYS A 74 8.914 -11.364 -5.289 1.00 14.35 O ATOM 1147 CB LYS A 74 9.999 -9.407 -7.572 1.00 71.40 C ATOM 1148 CG LYS A 74 10.713 -9.330 -8.943 1.00 1.43 C ATOM 1149 CD LYS A 74 11.245 -10.704 -9.418 1.00 62.35 C ATOM 1150 CE LYS A 74 11.983 -10.626 -10.764 1.00 51.11 C ATOM 1151 NZ LYS A 74 12.388 -11.970 -11.257 1.00 11.20 N ATOM 0 H LYS A 74 7.769 -9.055 -8.752 1.00 74.34 H new ATOM 0 HA LYS A 74 9.183 -11.387 -7.862 1.00 72.01 H new ATOM 0 HB2 LYS A 74 9.623 -8.416 -7.317 1.00 71.40 H new ATOM 0 HB3 LYS A 74 10.731 -9.676 -6.810 1.00 71.40 H new ATOM 0 HG2 LYS A 74 10.020 -8.936 -9.687 1.00 1.43 H new ATOM 0 HG3 LYS A 74 11.543 -8.627 -8.877 1.00 1.43 H new ATOM 0 HD2 LYS A 74 11.919 -11.108 -8.663 1.00 62.35 H new ATOM 0 HD3 LYS A 74 10.411 -11.400 -9.506 1.00 62.35 H new ATOM 0 HE2 LYS A 74 11.340 -10.148 -11.503 1.00 51.11 H new ATOM 0 HE3 LYS A 74 12.867 -9.998 -10.657 1.00 51.11 H new ATOM 0 HZ1 LYS A 74 12.882 -11.872 -12.167 1.00 11.20 H new ATOM 0 HZ2 LYS A 74 13.022 -12.417 -10.565 1.00 11.20 H new ATOM 0 HZ3 LYS A 74 11.543 -12.562 -11.385 1.00 11.20 H new ATOM 1165 N ASN A 75 7.256 -9.870 -5.692 1.00 55.34 N ATOM 1166 CA ASN A 75 6.583 -10.041 -4.391 1.00 43.05 C ATOM 1167 C ASN A 75 5.045 -9.832 -4.559 1.00 41.01 C ATOM 1168 O ASN A 75 4.549 -8.703 -4.432 1.00 72.11 O ATOM 1169 CB ASN A 75 7.181 -9.073 -3.318 1.00 62.23 C ATOM 1170 CG ASN A 75 6.856 -9.484 -1.872 1.00 53.12 C ATOM 1171 OD1 ASN A 75 5.901 -10.209 -1.605 1.00 53.05 O ATOM 1172 ND2 ASN A 75 7.620 -8.990 -0.924 1.00 35.53 N ATOM 0 H ASN A 75 6.833 -9.156 -6.284 1.00 55.34 H new ATOM 0 HA ASN A 75 6.754 -11.057 -4.036 1.00 43.05 H new ATOM 0 HB2 ASN A 75 8.263 -9.031 -3.441 1.00 62.23 H new ATOM 0 HB3 ASN A 75 6.801 -8.067 -3.496 1.00 62.23 H new ATOM 0 HD21 ASN A 75 7.425 -9.207 0.053 1.00 35.53 H new ATOM 0 HD22 ASN A 75 8.409 -8.390 -1.165 1.00 35.53 H new ATOM 1179 N PRO A 76 4.269 -10.918 -4.899 1.00 1.42 N ATOM 1180 CA PRO A 76 2.775 -10.879 -4.909 1.00 41.22 C ATOM 1181 C PRO A 76 2.198 -10.694 -3.482 1.00 31.21 C ATOM 1182 O PRO A 76 1.181 -10.027 -3.274 1.00 35.21 O ATOM 1183 CB PRO A 76 2.371 -12.271 -5.504 1.00 13.42 C ATOM 1184 CG PRO A 76 3.626 -12.808 -6.136 1.00 11.14 C ATOM 1185 CD PRO A 76 4.769 -12.252 -5.315 1.00 1.24 C ATOM 0 HA PRO A 76 2.385 -10.041 -5.486 1.00 41.22 H new ATOM 0 HB2 PRO A 76 2.004 -12.940 -4.726 1.00 13.42 H new ATOM 0 HB3 PRO A 76 1.573 -12.169 -6.239 1.00 13.42 H new ATOM 0 HG2 PRO A 76 3.633 -13.898 -6.128 1.00 11.14 H new ATOM 0 HG3 PRO A 76 3.704 -12.496 -7.177 1.00 11.14 H new ATOM 0 HD2 PRO A 76 4.993 -12.884 -4.456 1.00 1.24 H new ATOM 0 HD3 PRO A 76 5.685 -12.174 -5.901 1.00 1.24 H new ATOM 1193 N ASP A 77 2.896 -11.286 -2.505 1.00 54.01 N ATOM 1194 CA ASP A 77 2.515 -11.247 -1.083 1.00 74.03 C ATOM 1195 C ASP A 77 2.659 -9.844 -0.456 1.00 14.45 C ATOM 1196 O ASP A 77 2.125 -9.608 0.618 1.00 1.43 O ATOM 1197 CB ASP A 77 3.343 -12.287 -0.302 1.00 41.13 C ATOM 1198 CG ASP A 77 3.097 -13.704 -0.829 1.00 73.33 C ATOM 1199 OD1 ASP A 77 3.711 -14.091 -1.847 1.00 24.23 O ATOM 1200 OD2 ASP A 77 2.235 -14.418 -0.272 1.00 13.43 O ATOM 0 H ASP A 77 3.752 -11.813 -2.679 1.00 54.01 H new ATOM 0 HA ASP A 77 1.455 -11.495 -1.020 1.00 74.03 H new ATOM 0 HB2 ASP A 77 4.403 -12.046 -0.382 1.00 41.13 H new ATOM 0 HB3 ASP A 77 3.085 -12.240 0.756 1.00 41.13 H new ATOM 1205 N LEU A 78 3.385 -8.926 -1.120 1.00 62.31 N ATOM 1206 CA LEU A 78 3.555 -7.534 -0.635 1.00 30.21 C ATOM 1207 C LEU A 78 2.185 -6.830 -0.436 1.00 42.44 C ATOM 1208 O LEU A 78 1.909 -6.285 0.636 1.00 13.43 O ATOM 1209 CB LEU A 78 4.443 -6.715 -1.606 1.00 54.32 C ATOM 1210 CG LEU A 78 4.913 -5.320 -1.085 1.00 64.30 C ATOM 1211 CD1 LEU A 78 5.771 -5.470 0.194 1.00 3.04 C ATOM 1212 CD2 LEU A 78 5.669 -4.543 -2.185 1.00 60.25 C ATOM 0 H LEU A 78 3.867 -9.119 -1.998 1.00 62.31 H new ATOM 0 HA LEU A 78 4.052 -7.585 0.334 1.00 30.21 H new ATOM 0 HB2 LEU A 78 5.325 -7.307 -1.848 1.00 54.32 H new ATOM 0 HB3 LEU A 78 3.893 -6.568 -2.535 1.00 54.32 H new ATOM 0 HG LEU A 78 4.028 -4.740 -0.824 1.00 64.30 H new ATOM 0 HD11 LEU A 78 6.087 -4.485 0.538 1.00 3.04 H new ATOM 0 HD12 LEU A 78 5.182 -5.955 0.973 1.00 3.04 H new ATOM 0 HD13 LEU A 78 6.650 -6.076 -0.026 1.00 3.04 H new ATOM 0 HD21 LEU A 78 5.985 -3.575 -1.795 1.00 60.25 H new ATOM 0 HD22 LEU A 78 6.545 -5.112 -2.496 1.00 60.25 H new ATOM 0 HD23 LEU A 78 5.011 -4.392 -3.041 1.00 60.25 H new ATOM 1224 N ARG A 79 1.336 -6.863 -1.486 1.00 14.44 N ATOM 1225 CA ARG A 79 -0.065 -6.387 -1.398 1.00 34.11 C ATOM 1226 C ARG A 79 -0.916 -7.336 -0.515 1.00 52.41 C ATOM 1227 O ARG A 79 -1.631 -6.886 0.370 1.00 74.20 O ATOM 1228 CB ARG A 79 -0.701 -6.244 -2.818 1.00 74.14 C ATOM 1229 CG ARG A 79 -0.699 -7.542 -3.659 1.00 2.44 C ATOM 1230 CD ARG A 79 -1.380 -7.406 -5.027 1.00 31.14 C ATOM 1231 NE ARG A 79 -1.224 -8.638 -5.821 1.00 72.21 N ATOM 1232 CZ ARG A 79 -1.343 -8.721 -7.128 1.00 45.43 C ATOM 1233 NH1 ARG A 79 -1.568 -7.674 -7.850 1.00 3.23 N ATOM 1234 NH2 ARG A 79 -1.227 -9.871 -7.711 1.00 52.43 N ATOM 0 H ARG A 79 1.596 -7.215 -2.407 1.00 14.44 H new ATOM 0 HA ARG A 79 -0.053 -5.402 -0.931 1.00 34.11 H new ATOM 0 HB2 ARG A 79 -1.729 -5.900 -2.708 1.00 74.14 H new ATOM 0 HB3 ARG A 79 -0.163 -5.471 -3.366 1.00 74.14 H new ATOM 0 HG2 ARG A 79 0.332 -7.863 -3.809 1.00 2.44 H new ATOM 0 HG3 ARG A 79 -1.198 -8.329 -3.094 1.00 2.44 H new ATOM 0 HD2 ARG A 79 -2.439 -7.190 -4.890 1.00 31.14 H new ATOM 0 HD3 ARG A 79 -0.950 -6.563 -5.569 1.00 31.14 H new ATOM 0 HE ARG A 79 -1.006 -9.497 -5.315 1.00 72.21 H new ATOM 0 HH11 ARG A 79 -1.657 -6.759 -7.408 1.00 3.23 H new ATOM 0 HH12 ARG A 79 -1.657 -7.762 -8.862 1.00 3.23 H new ATOM 0 HH21 ARG A 79 -1.044 -10.708 -7.157 1.00 52.43 H new ATOM 0 HH22 ARG A 79 -1.319 -9.941 -8.725 1.00 52.43 H new ATOM 1248 N ARG A 80 -0.767 -8.659 -0.741 1.00 13.41 N ATOM 1249 CA ARG A 80 -1.635 -9.713 -0.151 1.00 61.24 C ATOM 1250 C ARG A 80 -1.538 -9.791 1.401 1.00 44.04 C ATOM 1251 O ARG A 80 -2.519 -10.125 2.071 1.00 62.14 O ATOM 1252 CB ARG A 80 -1.301 -11.073 -0.833 1.00 4.51 C ATOM 1253 CG ARG A 80 -2.113 -12.292 -0.334 1.00 52.40 C ATOM 1254 CD ARG A 80 -2.050 -13.497 -1.298 1.00 32.50 C ATOM 1255 NE ARG A 80 -0.673 -13.928 -1.622 1.00 33.22 N ATOM 1256 CZ ARG A 80 -0.310 -14.510 -2.755 1.00 62.22 C ATOM 1257 NH1 ARG A 80 -1.161 -14.697 -3.716 1.00 54.33 N ATOM 1258 NH2 ARG A 80 0.908 -14.898 -2.923 1.00 71.11 N ATOM 0 H ARG A 80 -0.035 -9.034 -1.344 1.00 13.41 H new ATOM 0 HA ARG A 80 -2.675 -9.453 -0.347 1.00 61.24 H new ATOM 0 HB2 ARG A 80 -1.460 -10.969 -1.906 1.00 4.51 H new ATOM 0 HB3 ARG A 80 -0.241 -11.281 -0.686 1.00 4.51 H new ATOM 0 HG2 ARG A 80 -1.737 -12.596 0.643 1.00 52.40 H new ATOM 0 HG3 ARG A 80 -3.153 -11.997 -0.198 1.00 52.40 H new ATOM 0 HD2 ARG A 80 -2.588 -14.334 -0.854 1.00 32.50 H new ATOM 0 HD3 ARG A 80 -2.567 -13.239 -2.222 1.00 32.50 H new ATOM 0 HE ARG A 80 0.050 -13.765 -0.922 1.00 33.22 H new ATOM 0 HH11 ARG A 80 -2.129 -14.394 -3.606 1.00 54.33 H new ATOM 0 HH12 ARG A 80 -0.862 -15.147 -4.581 1.00 54.33 H new ATOM 0 HH21 ARG A 80 1.595 -14.757 -2.182 1.00 71.11 H new ATOM 0 HH22 ARG A 80 1.185 -15.346 -3.797 1.00 71.11 H new ATOM 1272 N ASN A 81 -0.363 -9.448 1.957 1.00 31.03 N ATOM 1273 CA ASN A 81 -0.141 -9.397 3.426 1.00 54.12 C ATOM 1274 C ASN A 81 -0.809 -8.148 4.050 1.00 64.24 C ATOM 1275 O ASN A 81 -1.281 -8.198 5.186 1.00 4.04 O ATOM 1276 CB ASN A 81 1.374 -9.429 3.771 1.00 54.42 C ATOM 1277 CG ASN A 81 2.050 -10.768 3.439 1.00 44.54 C ATOM 1278 OD1 ASN A 81 1.426 -11.824 3.484 1.00 23.21 O ATOM 1279 ND2 ASN A 81 3.332 -10.737 3.110 1.00 34.44 N ATOM 0 H ASN A 81 0.461 -9.198 1.410 1.00 31.03 H new ATOM 0 HA ASN A 81 -0.606 -10.285 3.855 1.00 54.12 H new ATOM 0 HB2 ASN A 81 1.879 -8.631 3.227 1.00 54.42 H new ATOM 0 HB3 ASN A 81 1.501 -9.220 4.833 1.00 54.42 H new ATOM 0 HD21 ASN A 81 3.822 -11.603 2.887 1.00 34.44 H new ATOM 0 HD22 ASN A 81 3.829 -9.847 3.079 1.00 34.44 H new ATOM 1286 N VAL A 82 -0.837 -7.031 3.298 1.00 53.45 N ATOM 1287 CA VAL A 82 -1.559 -5.798 3.716 1.00 2.43 C ATOM 1288 C VAL A 82 -3.091 -6.027 3.675 1.00 71.21 C ATOM 1289 O VAL A 82 -3.839 -5.553 4.543 1.00 52.40 O ATOM 1290 CB VAL A 82 -1.174 -4.564 2.813 1.00 44.02 C ATOM 1291 CG1 VAL A 82 -1.856 -3.254 3.293 1.00 41.42 C ATOM 1292 CG2 VAL A 82 0.360 -4.398 2.753 1.00 54.31 C ATOM 0 H VAL A 82 -0.369 -6.950 2.395 1.00 53.45 H new ATOM 0 HA VAL A 82 -1.257 -5.573 4.739 1.00 2.43 H new ATOM 0 HB VAL A 82 -1.544 -4.765 1.808 1.00 44.02 H new ATOM 0 HG11 VAL A 82 -1.562 -2.431 2.642 1.00 41.42 H new ATOM 0 HG12 VAL A 82 -2.939 -3.374 3.260 1.00 41.42 H new ATOM 0 HG13 VAL A 82 -1.547 -3.036 4.315 1.00 41.42 H new ATOM 0 HG21 VAL A 82 0.609 -3.542 2.126 1.00 54.31 H new ATOM 0 HG22 VAL A 82 0.748 -4.236 3.759 1.00 54.31 H new ATOM 0 HG23 VAL A 82 0.807 -5.299 2.332 1.00 54.31 H new ATOM 1302 N LEU A 83 -3.526 -6.790 2.660 1.00 64.12 N ATOM 1303 CA LEU A 83 -4.941 -7.148 2.443 1.00 44.44 C ATOM 1304 C LEU A 83 -5.451 -8.155 3.516 1.00 11.12 C ATOM 1305 O LEU A 83 -6.593 -8.060 3.970 1.00 71.32 O ATOM 1306 CB LEU A 83 -5.111 -7.705 1.000 1.00 64.52 C ATOM 1307 CG LEU A 83 -4.723 -6.713 -0.157 1.00 23.11 C ATOM 1308 CD1 LEU A 83 -4.670 -7.412 -1.529 1.00 54.12 C ATOM 1309 CD2 LEU A 83 -5.668 -5.496 -0.201 1.00 13.11 C ATOM 0 H LEU A 83 -2.899 -7.182 1.957 1.00 64.12 H new ATOM 0 HA LEU A 83 -5.554 -6.253 2.550 1.00 44.44 H new ATOM 0 HB2 LEU A 83 -4.504 -8.605 0.903 1.00 64.52 H new ATOM 0 HB3 LEU A 83 -6.150 -8.005 0.865 1.00 64.52 H new ATOM 0 HG LEU A 83 -3.718 -6.354 0.066 1.00 23.11 H new ATOM 0 HD11 LEU A 83 -4.398 -6.687 -2.296 1.00 54.12 H new ATOM 0 HD12 LEU A 83 -3.927 -8.209 -1.503 1.00 54.12 H new ATOM 0 HD13 LEU A 83 -5.648 -7.835 -1.760 1.00 54.12 H new ATOM 0 HD21 LEU A 83 -5.369 -4.833 -1.013 1.00 13.11 H new ATOM 0 HD22 LEU A 83 -6.690 -5.835 -0.367 1.00 13.11 H new ATOM 0 HD23 LEU A 83 -5.613 -4.958 0.746 1.00 13.11 H new ATOM 1321 N CYS A 84 -4.591 -9.108 3.934 1.00 21.20 N ATOM 1322 CA CYS A 84 -4.936 -10.096 4.999 1.00 30.14 C ATOM 1323 C CYS A 84 -4.654 -9.546 6.418 1.00 54.44 C ATOM 1324 O CYS A 84 -4.995 -10.194 7.413 1.00 72.31 O ATOM 1325 CB CYS A 84 -4.163 -11.414 4.794 1.00 24.21 C ATOM 1326 SG CYS A 84 -2.379 -11.274 5.030 1.00 63.15 S ATOM 0 H CYS A 84 -3.651 -9.221 3.555 1.00 21.20 H new ATOM 0 HA CYS A 84 -6.006 -10.286 4.916 1.00 30.14 H new ATOM 0 HB2 CYS A 84 -4.552 -12.161 5.486 1.00 24.21 H new ATOM 0 HB3 CYS A 84 -4.357 -11.782 3.786 1.00 24.21 H new ATOM 0 HG CYS A 84 -2.053 -10.020 5.140 1.00 63.15 H new ATOM 1332 N GLY A 85 -4.010 -8.362 6.503 1.00 53.51 N ATOM 1333 CA GLY A 85 -3.721 -7.712 7.795 1.00 11.04 C ATOM 1334 C GLY A 85 -2.479 -8.252 8.519 1.00 63.50 C ATOM 1335 O GLY A 85 -2.276 -7.953 9.701 1.00 64.55 O ATOM 0 H GLY A 85 -3.681 -7.839 5.691 1.00 53.51 H new ATOM 0 HA2 GLY A 85 -3.592 -6.643 7.628 1.00 11.04 H new ATOM 0 HA3 GLY A 85 -4.586 -7.830 8.448 1.00 11.04 H new ATOM 1339 N ALA A 86 -1.654 -9.059 7.819 1.00 4.03 N ATOM 1340 CA ALA A 86 -0.344 -9.524 8.334 1.00 43.13 C ATOM 1341 C ALA A 86 0.629 -8.325 8.467 1.00 33.41 C ATOM 1342 O ALA A 86 1.194 -8.075 9.538 1.00 62.21 O ATOM 1343 CB ALA A 86 0.236 -10.610 7.415 1.00 72.25 C ATOM 0 H ALA A 86 -1.874 -9.406 6.885 1.00 4.03 H new ATOM 0 HA ALA A 86 -0.484 -9.961 9.323 1.00 43.13 H new ATOM 0 HB1 ALA A 86 1.198 -10.942 7.806 1.00 72.25 H new ATOM 0 HB2 ALA A 86 -0.450 -11.456 7.373 1.00 72.25 H new ATOM 0 HB3 ALA A 86 0.372 -10.204 6.413 1.00 72.25 H new ATOM 1349 N ILE A 87 0.813 -7.596 7.352 1.00 0.43 N ATOM 1350 CA ILE A 87 1.413 -6.243 7.356 1.00 35.03 C ATOM 1351 C ILE A 87 0.274 -5.211 7.527 1.00 31.52 C ATOM 1352 O ILE A 87 -0.738 -5.283 6.820 1.00 62.01 O ATOM 1353 CB ILE A 87 2.204 -5.946 6.018 1.00 20.00 C ATOM 1354 CG1 ILE A 87 3.346 -6.996 5.797 1.00 10.53 C ATOM 1355 CG2 ILE A 87 2.776 -4.501 5.998 1.00 2.33 C ATOM 1356 CD1 ILE A 87 4.099 -6.856 4.476 1.00 62.33 C ATOM 0 H ILE A 87 0.552 -7.924 6.422 1.00 0.43 H new ATOM 0 HA ILE A 87 2.127 -6.177 8.177 1.00 35.03 H new ATOM 0 HB ILE A 87 1.494 -6.032 5.195 1.00 20.00 H new ATOM 0 HG12 ILE A 87 4.060 -6.913 6.616 1.00 10.53 H new ATOM 0 HG13 ILE A 87 2.916 -7.996 5.849 1.00 10.53 H new ATOM 0 HG21 ILE A 87 3.312 -4.335 5.064 1.00 2.33 H new ATOM 0 HG22 ILE A 87 1.958 -3.785 6.079 1.00 2.33 H new ATOM 0 HG23 ILE A 87 3.459 -4.368 6.837 1.00 2.33 H new ATOM 0 HD11 ILE A 87 4.869 -7.625 4.413 1.00 62.33 H new ATOM 0 HD12 ILE A 87 3.402 -6.971 3.646 1.00 62.33 H new ATOM 0 HD13 ILE A 87 4.564 -5.872 4.425 1.00 62.33 H new ATOM 1368 N THR A 88 0.419 -4.269 8.477 1.00 70.21 N ATOM 1369 CA THR A 88 -0.595 -3.209 8.686 1.00 71.41 C ATOM 1370 C THR A 88 -0.446 -2.103 7.605 1.00 55.10 C ATOM 1371 O THR A 88 0.675 -1.834 7.151 1.00 43.11 O ATOM 1372 CB THR A 88 -0.505 -2.567 10.117 1.00 5.44 C ATOM 1373 OG1 THR A 88 0.671 -1.749 10.239 1.00 20.51 O ATOM 1374 CG2 THR A 88 -0.498 -3.640 11.225 1.00 43.14 C ATOM 0 H THR A 88 1.219 -4.216 9.108 1.00 70.21 H new ATOM 0 HA THR A 88 -1.573 -3.682 8.599 1.00 71.41 H new ATOM 0 HB THR A 88 -1.392 -1.946 10.242 1.00 5.44 H new ATOM 0 HG1 THR A 88 0.706 -1.358 11.137 1.00 20.51 H new ATOM 0 HG21 THR A 88 -0.435 -3.156 12.200 1.00 43.14 H new ATOM 0 HG22 THR A 88 -1.415 -4.226 11.170 1.00 43.14 H new ATOM 0 HG23 THR A 88 0.361 -4.297 11.090 1.00 43.14 H new ATOM 1382 N PRO A 89 -1.578 -1.469 7.145 1.00 52.32 N ATOM 1383 CA PRO A 89 -1.543 -0.341 6.165 1.00 4.20 C ATOM 1384 C PRO A 89 -0.584 0.826 6.543 1.00 2.23 C ATOM 1385 O PRO A 89 -0.094 1.548 5.665 1.00 32.14 O ATOM 1386 CB PRO A 89 -3.015 0.129 6.136 1.00 53.21 C ATOM 1387 CG PRO A 89 -3.806 -1.103 6.441 1.00 22.50 C ATOM 1388 CD PRO A 89 -2.985 -1.843 7.479 1.00 63.54 C ATOM 0 HA PRO A 89 -1.149 -0.668 5.203 1.00 4.20 H new ATOM 0 HB2 PRO A 89 -3.197 0.911 6.874 1.00 53.21 H new ATOM 0 HB3 PRO A 89 -3.281 0.541 5.163 1.00 53.21 H new ATOM 0 HG2 PRO A 89 -4.795 -0.853 6.824 1.00 22.50 H new ATOM 0 HG3 PRO A 89 -3.954 -1.710 5.548 1.00 22.50 H new ATOM 0 HD2 PRO A 89 -3.251 -1.540 8.492 1.00 63.54 H new ATOM 0 HD3 PRO A 89 -3.139 -2.920 7.418 1.00 63.54 H new ATOM 1396 N GLN A 90 -0.325 0.995 7.855 1.00 40.51 N ATOM 1397 CA GLN A 90 0.632 1.999 8.366 1.00 22.40 C ATOM 1398 C GLN A 90 2.094 1.568 8.084 1.00 10.32 C ATOM 1399 O GLN A 90 2.911 2.386 7.638 1.00 20.44 O ATOM 1400 CB GLN A 90 0.398 2.241 9.894 1.00 4.13 C ATOM 1401 CG GLN A 90 1.252 3.385 10.524 1.00 50.12 C ATOM 1402 CD GLN A 90 2.506 2.930 11.288 1.00 51.03 C ATOM 1403 OE1 GLN A 90 3.082 1.881 11.021 1.00 1.10 O ATOM 1404 NE2 GLN A 90 2.950 3.738 12.233 1.00 63.22 N ATOM 0 H GLN A 90 -0.770 0.443 8.588 1.00 40.51 H new ATOM 0 HA GLN A 90 0.461 2.938 7.840 1.00 22.40 H new ATOM 0 HB2 GLN A 90 -0.656 2.467 10.052 1.00 4.13 H new ATOM 0 HB3 GLN A 90 0.609 1.315 10.429 1.00 4.13 H new ATOM 0 HG2 GLN A 90 1.559 4.066 9.730 1.00 50.12 H new ATOM 0 HG3 GLN A 90 0.619 3.954 11.205 1.00 50.12 H new ATOM 0 HE21 GLN A 90 2.454 4.605 12.437 1.00 63.22 H new ATOM 0 HE22 GLN A 90 3.789 3.495 12.759 1.00 63.22 H new ATOM 1413 N GLN A 91 2.404 0.275 8.346 1.00 71.45 N ATOM 1414 CA GLN A 91 3.744 -0.309 8.100 1.00 10.25 C ATOM 1415 C GLN A 91 4.168 -0.172 6.617 1.00 60.15 C ATOM 1416 O GLN A 91 5.194 0.436 6.334 1.00 51.11 O ATOM 1417 CB GLN A 91 3.797 -1.803 8.546 1.00 72.11 C ATOM 1418 CG GLN A 91 3.822 -2.018 10.078 1.00 34.11 C ATOM 1419 CD GLN A 91 3.751 -3.497 10.496 1.00 32.32 C ATOM 1420 OE1 GLN A 91 3.146 -4.323 9.822 1.00 62.25 O ATOM 1421 NE2 GLN A 91 4.355 -3.845 11.615 1.00 51.20 N ATOM 0 H GLN A 91 1.734 -0.390 8.733 1.00 71.45 H new ATOM 0 HA GLN A 91 4.454 0.257 8.703 1.00 10.25 H new ATOM 0 HB2 GLN A 91 2.932 -2.322 8.134 1.00 72.11 H new ATOM 0 HB3 GLN A 91 4.683 -2.266 8.113 1.00 72.11 H new ATOM 0 HG2 GLN A 91 4.734 -1.579 10.483 1.00 34.11 H new ATOM 0 HG3 GLN A 91 2.984 -1.483 10.525 1.00 34.11 H new ATOM 0 HE21 GLN A 91 4.854 -3.145 12.164 1.00 51.20 H new ATOM 0 HE22 GLN A 91 4.323 -4.814 11.932 1.00 51.20 H new ATOM 1430 N ILE A 92 3.349 -0.697 5.684 1.00 71.14 N ATOM 1431 CA ILE A 92 3.664 -0.692 4.221 1.00 22.11 C ATOM 1432 C ILE A 92 3.905 0.749 3.662 1.00 51.23 C ATOM 1433 O ILE A 92 4.699 0.947 2.729 1.00 61.31 O ATOM 1434 CB ILE A 92 2.535 -1.426 3.397 1.00 54.44 C ATOM 1435 CG1 ILE A 92 2.924 -1.595 1.886 1.00 22.05 C ATOM 1436 CG2 ILE A 92 1.174 -0.705 3.534 1.00 65.43 C ATOM 1437 CD1 ILE A 92 4.191 -2.406 1.632 1.00 43.53 C ATOM 0 H ILE A 92 2.456 -1.135 5.909 1.00 71.14 H new ATOM 0 HA ILE A 92 4.598 -1.240 4.102 1.00 22.11 H new ATOM 0 HB ILE A 92 2.435 -2.424 3.824 1.00 54.44 H new ATOM 0 HG12 ILE A 92 2.095 -2.073 1.364 1.00 22.05 H new ATOM 0 HG13 ILE A 92 3.050 -0.606 1.446 1.00 22.05 H new ATOM 0 HG21 ILE A 92 0.420 -1.237 2.954 1.00 65.43 H new ATOM 0 HG22 ILE A 92 0.877 -0.684 4.583 1.00 65.43 H new ATOM 0 HG23 ILE A 92 1.264 0.316 3.162 1.00 65.43 H new ATOM 0 HD11 ILE A 92 4.375 -2.466 0.559 1.00 43.53 H new ATOM 0 HD12 ILE A 92 5.037 -1.921 2.119 1.00 43.53 H new ATOM 0 HD13 ILE A 92 4.067 -3.411 2.036 1.00 43.53 H new ATOM 1449 N ALA A 93 3.235 1.745 4.274 1.00 63.23 N ATOM 1450 CA ALA A 93 3.380 3.171 3.908 1.00 10.52 C ATOM 1451 C ALA A 93 4.779 3.729 4.275 1.00 33.42 C ATOM 1452 O ALA A 93 5.346 4.538 3.531 1.00 62.23 O ATOM 1453 CB ALA A 93 2.282 3.996 4.593 1.00 13.51 C ATOM 0 H ALA A 93 2.577 1.585 5.037 1.00 63.23 H new ATOM 0 HA ALA A 93 3.276 3.248 2.826 1.00 10.52 H new ATOM 0 HB1 ALA A 93 2.392 5.046 4.321 1.00 13.51 H new ATOM 0 HB2 ALA A 93 1.304 3.639 4.271 1.00 13.51 H new ATOM 0 HB3 ALA A 93 2.369 3.891 5.674 1.00 13.51 H new ATOM 1459 N VAL A 94 5.323 3.295 5.433 1.00 1.52 N ATOM 1460 CA VAL A 94 6.636 3.770 5.948 1.00 2.15 C ATOM 1461 C VAL A 94 7.810 2.788 5.629 1.00 30.44 C ATOM 1462 O VAL A 94 8.982 3.146 5.804 1.00 34.40 O ATOM 1463 CB VAL A 94 6.555 4.044 7.503 1.00 33.22 C ATOM 1464 CG1 VAL A 94 5.463 5.096 7.836 1.00 4.04 C ATOM 1465 CG2 VAL A 94 6.331 2.741 8.311 1.00 31.52 C ATOM 0 H VAL A 94 4.871 2.609 6.038 1.00 1.52 H new ATOM 0 HA VAL A 94 6.856 4.701 5.426 1.00 2.15 H new ATOM 0 HB VAL A 94 7.520 4.452 7.803 1.00 33.22 H new ATOM 0 HG11 VAL A 94 5.433 5.261 8.913 1.00 4.04 H new ATOM 0 HG12 VAL A 94 5.695 6.034 7.331 1.00 4.04 H new ATOM 0 HG13 VAL A 94 4.493 4.733 7.498 1.00 4.04 H new ATOM 0 HG21 VAL A 94 6.282 2.976 9.374 1.00 31.52 H new ATOM 0 HG22 VAL A 94 5.396 2.275 7.999 1.00 31.52 H new ATOM 0 HG23 VAL A 94 7.157 2.054 8.129 1.00 31.52 H new ATOM 1475 N MET A 95 7.490 1.557 5.166 1.00 1.02 N ATOM 1476 CA MET A 95 8.500 0.523 4.786 1.00 61.41 C ATOM 1477 C MET A 95 9.254 0.924 3.492 1.00 53.24 C ATOM 1478 O MET A 95 8.626 1.205 2.477 1.00 61.34 O ATOM 1479 CB MET A 95 7.802 -0.866 4.602 1.00 21.53 C ATOM 1480 CG MET A 95 7.493 -1.623 5.906 1.00 4.22 C ATOM 1481 SD MET A 95 6.365 -3.025 5.661 1.00 32.33 S ATOM 1482 CE MET A 95 7.221 -4.025 4.441 1.00 34.12 C ATOM 0 H MET A 95 6.526 1.246 5.043 1.00 1.02 H new ATOM 0 HA MET A 95 9.232 0.450 5.590 1.00 61.41 H new ATOM 0 HB2 MET A 95 6.869 -0.717 4.058 1.00 21.53 H new ATOM 0 HB3 MET A 95 8.438 -1.494 3.978 1.00 21.53 H new ATOM 0 HG2 MET A 95 8.425 -1.985 6.339 1.00 4.22 H new ATOM 0 HG3 MET A 95 7.054 -0.932 6.626 1.00 4.22 H new ATOM 0 HE1 MET A 95 6.643 -4.927 4.239 1.00 34.12 H new ATOM 0 HE2 MET A 95 7.337 -3.455 3.519 1.00 34.12 H new ATOM 0 HE3 MET A 95 8.204 -4.302 4.822 1.00 34.12 H new ATOM 1492 N THR A 96 10.597 0.929 3.534 1.00 61.24 N ATOM 1493 CA THR A 96 11.443 1.310 2.363 1.00 53.32 C ATOM 1494 C THR A 96 11.487 0.186 1.285 1.00 63.13 C ATOM 1495 O THR A 96 10.914 -0.893 1.478 1.00 52.14 O ATOM 1496 CB THR A 96 12.904 1.684 2.819 1.00 32.44 C ATOM 1497 OG1 THR A 96 13.683 2.155 1.708 1.00 31.22 O ATOM 1498 CG2 THR A 96 13.634 0.503 3.474 1.00 23.22 C ATOM 0 H THR A 96 11.133 0.674 4.364 1.00 61.24 H new ATOM 0 HA THR A 96 10.981 2.187 1.910 1.00 53.32 H new ATOM 0 HB THR A 96 12.798 2.475 3.561 1.00 32.44 H new ATOM 0 HG1 THR A 96 14.585 2.383 2.015 1.00 31.22 H new ATOM 0 HG21 THR A 96 14.636 0.814 3.770 1.00 23.22 H new ATOM 0 HG22 THR A 96 13.081 0.176 4.354 1.00 23.22 H new ATOM 0 HG23 THR A 96 13.704 -0.321 2.763 1.00 23.22 H new ATOM 1506 N SER A 97 12.182 0.451 0.154 1.00 10.01 N ATOM 1507 CA SER A 97 12.346 -0.516 -0.968 1.00 1.23 C ATOM 1508 C SER A 97 13.028 -1.817 -0.505 1.00 4.23 C ATOM 1509 O SER A 97 12.680 -2.909 -0.967 1.00 24.52 O ATOM 1510 CB SER A 97 13.153 0.131 -2.118 1.00 63.31 C ATOM 1511 OG SER A 97 14.429 0.575 -1.667 1.00 71.13 O ATOM 0 H SER A 97 12.648 1.343 -0.011 1.00 10.01 H new ATOM 0 HA SER A 97 11.351 -0.775 -1.329 1.00 1.23 H new ATOM 0 HB2 SER A 97 13.281 -0.589 -2.926 1.00 63.31 H new ATOM 0 HB3 SER A 97 12.596 0.974 -2.527 1.00 63.31 H new ATOM 0 HG SER A 97 14.918 0.978 -2.414 1.00 71.13 H new ATOM 1517 N GLU A 98 13.993 -1.682 0.430 1.00 44.50 N ATOM 1518 CA GLU A 98 14.643 -2.835 1.086 1.00 40.11 C ATOM 1519 C GLU A 98 13.600 -3.693 1.844 1.00 62.54 C ATOM 1520 O GLU A 98 13.557 -4.902 1.670 1.00 11.21 O ATOM 1521 CB GLU A 98 15.756 -2.353 2.059 1.00 52.00 C ATOM 1522 CG GLU A 98 16.538 -3.492 2.757 1.00 3.20 C ATOM 1523 CD GLU A 98 17.656 -2.986 3.687 1.00 12.34 C ATOM 1524 OE1 GLU A 98 18.762 -2.670 3.191 1.00 72.11 O ATOM 1525 OE2 GLU A 98 17.441 -2.907 4.916 1.00 2.11 O ATOM 0 H GLU A 98 14.341 -0.778 0.749 1.00 44.50 H new ATOM 0 HA GLU A 98 15.101 -3.453 0.313 1.00 40.11 H new ATOM 0 HB2 GLU A 98 16.461 -1.732 1.506 1.00 52.00 H new ATOM 0 HB3 GLU A 98 15.304 -1.719 2.822 1.00 52.00 H new ATOM 0 HG2 GLU A 98 15.842 -4.099 3.335 1.00 3.20 H new ATOM 0 HG3 GLU A 98 16.973 -4.142 1.998 1.00 3.20 H new ATOM 1532 N GLU A 99 12.738 -3.028 2.641 1.00 21.50 N ATOM 1533 CA GLU A 99 11.669 -3.690 3.439 1.00 21.13 C ATOM 1534 C GLU A 99 10.597 -4.378 2.563 1.00 50.21 C ATOM 1535 O GLU A 99 10.021 -5.385 2.966 1.00 4.50 O ATOM 1536 CB GLU A 99 10.997 -2.660 4.379 1.00 12.02 C ATOM 1537 CG GLU A 99 11.921 -2.071 5.457 1.00 43.44 C ATOM 1538 CD GLU A 99 12.365 -3.102 6.507 1.00 33.13 C ATOM 1539 OE1 GLU A 99 13.327 -3.857 6.258 1.00 65.53 O ATOM 1540 OE2 GLU A 99 11.747 -3.161 7.590 1.00 22.11 O ATOM 0 H GLU A 99 12.759 -2.014 2.754 1.00 21.50 H new ATOM 0 HA GLU A 99 12.152 -4.474 4.023 1.00 21.13 H new ATOM 0 HB2 GLU A 99 10.600 -1.844 3.776 1.00 12.02 H new ATOM 0 HB3 GLU A 99 10.148 -3.136 4.869 1.00 12.02 H new ATOM 0 HG2 GLU A 99 12.804 -1.648 4.977 1.00 43.44 H new ATOM 0 HG3 GLU A 99 11.407 -1.251 5.958 1.00 43.44 H new ATOM 1547 N MET A 100 10.345 -3.824 1.363 1.00 11.53 N ATOM 1548 CA MET A 100 9.407 -4.426 0.381 1.00 53.02 C ATOM 1549 C MET A 100 10.003 -5.695 -0.302 1.00 14.43 C ATOM 1550 O MET A 100 9.325 -6.366 -1.090 1.00 72.10 O ATOM 1551 CB MET A 100 8.967 -3.360 -0.669 1.00 33.42 C ATOM 1552 CG MET A 100 8.169 -2.179 -0.071 1.00 13.12 C ATOM 1553 SD MET A 100 7.394 -1.109 -1.318 1.00 61.03 S ATOM 1554 CE MET A 100 8.802 -0.480 -2.229 1.00 2.30 C ATOM 0 H MET A 100 10.777 -2.957 1.044 1.00 11.53 H new ATOM 0 HA MET A 100 8.523 -4.758 0.925 1.00 53.02 H new ATOM 0 HB2 MET A 100 9.854 -2.970 -1.169 1.00 33.42 H new ATOM 0 HB3 MET A 100 8.359 -3.846 -1.432 1.00 33.42 H new ATOM 0 HG2 MET A 100 7.395 -2.573 0.588 1.00 13.12 H new ATOM 0 HG3 MET A 100 8.837 -1.577 0.546 1.00 13.12 H new ATOM 0 HE1 MET A 100 8.453 0.115 -3.073 1.00 2.30 H new ATOM 0 HE2 MET A 100 9.411 0.142 -1.573 1.00 2.30 H new ATOM 0 HE3 MET A 100 9.400 -1.314 -2.596 1.00 2.30 H new