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 90 GLN : amide:sc= 0.178 K(o=0.46,f=-3.6!) USER MOD Set 1.2: A 91 GLN :FLIP amide:sc= 0.28 F(o=-0.079,f=0.46) USER MOD Set 2.1: A 69 ASN : amide:sc= -0.608 K(o=-1.2,f=-2.3!) USER MOD Set 2.2: A 100 MET CE :methyl 178:sc= -0.633 (180deg=-0.727) USER MOD Set 3.1: A 30 HIS : no HE2:sc= -0.487 X(o=-1.2,f=-1.4) USER MOD Set 3.2: A 37 CYS SG : rot 120:sc= -0.692 USER MOD Set 4.1: A 21 THR OG1 : rot 70:sc= 2.15 USER MOD Set 4.2: A 41 SER OG : rot -175:sc= 0.826 USER MOD Set 5.1: A 16 CYS SG : rot 151:sc= -0.699! USER MOD Set 5.2: A 59 TYR OH : rot 15:sc= 0.749 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 -131:sc= -1.53 (180deg=-2.06!) USER MOD Single : A 25 GLN :FLIP amide:sc= -0.524 F(o=-1.8,f=-0.52) USER MOD Single : A 26 THR OG1 : rot -92:sc= 0.121 USER MOD Single : A 28 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 43 GLN : amide:sc= -0.394 K(o=-0.39,f=-1.3) USER MOD Single : A 47 CYS SG : rot 90:sc= -1 USER MOD Single : A 54 ASN : amide:sc= -0.465 X(o=-0.46,f=-0.49) USER MOD Single : A 55 THR OG1 : rot -25:sc= 0.872 USER MOD Single : A 57 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000812) USER MOD Single : A 60 LYS NZ :NH3+ -147:sc= 1.19 (180deg=0.251) USER MOD Single : A 61 ASN : amide:sc= -0.0374 X(o=-0.037,f=0) USER MOD Single : A 65 SER OG : rot 75:sc= 0.59 USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 ASN : amide:sc= -2.43! C(o=-2.4!,f=-4.3!) USER MOD Single : A 81 ASN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 84 CYS SG : rot 81:sc= -0.914! USER MOD Single : A 88 THR OG1 : rot 180:sc= -1.03 USER MOD Single : A 95 MET CE :methyl -179:sc= -2.44! (180deg=-2.45!) USER MOD Single : A 96 THR OG1 : rot -97:sc= 0.154 USER MOD Single : A 97 SER OG : rot -1:sc= 0.342 USER MOD ----------------------------------------------------------------- ATOM 146 N ALA A 11 -6.210 18.018 -6.733 1.00 10.25 N ATOM 147 CA ALA A 11 -6.508 16.592 -7.002 1.00 12.42 C ATOM 148 C ALA A 11 -5.348 15.660 -6.580 1.00 34.22 C ATOM 149 O ALA A 11 -5.572 14.475 -6.388 1.00 64.15 O ATOM 150 CB ALA A 11 -6.829 16.381 -8.487 1.00 64.13 C ATOM 0 HA ALA A 11 -7.378 16.331 -6.400 1.00 12.42 H new ATOM 0 HB1 ALA A 11 -7.045 15.328 -8.666 1.00 64.13 H new ATOM 0 HB2 ALA A 11 -7.697 16.981 -8.761 1.00 64.13 H new ATOM 0 HB3 ALA A 11 -5.973 16.684 -9.091 1.00 64.13 H new ATOM 156 N VAL A 12 -4.129 16.233 -6.417 1.00 52.11 N ATOM 157 CA VAL A 12 -2.876 15.495 -6.080 1.00 64.42 C ATOM 158 C VAL A 12 -3.035 14.519 -4.870 1.00 3.11 C ATOM 159 O VAL A 12 -2.570 13.371 -4.926 1.00 64.24 O ATOM 160 CB VAL A 12 -1.697 16.509 -5.786 1.00 53.12 C ATOM 161 CG1 VAL A 12 -0.361 15.776 -5.501 1.00 52.51 C ATOM 162 CG2 VAL A 12 -1.531 17.533 -6.939 1.00 75.10 C ATOM 0 H VAL A 12 -3.982 17.237 -6.517 1.00 52.11 H new ATOM 0 HA VAL A 12 -2.642 14.887 -6.954 1.00 64.42 H new ATOM 0 HB VAL A 12 -1.968 17.058 -4.884 1.00 53.12 H new ATOM 0 HG11 VAL A 12 0.421 16.509 -5.304 1.00 52.51 H new ATOM 0 HG12 VAL A 12 -0.479 15.129 -4.632 1.00 52.51 H new ATOM 0 HG13 VAL A 12 -0.085 15.174 -6.366 1.00 52.51 H new ATOM 0 HG21 VAL A 12 -0.713 18.215 -6.705 1.00 75.10 H new ATOM 0 HG22 VAL A 12 -1.309 17.004 -7.866 1.00 75.10 H new ATOM 0 HG23 VAL A 12 -2.454 18.101 -7.057 1.00 75.10 H new ATOM 172 N ARG A 13 -3.707 14.983 -3.788 1.00 51.44 N ATOM 173 CA ARG A 13 -3.922 14.167 -2.564 1.00 33.42 C ATOM 174 C ARG A 13 -4.897 13.001 -2.845 1.00 53.01 C ATOM 175 O ARG A 13 -4.536 11.846 -2.671 1.00 63.25 O ATOM 176 CB ARG A 13 -4.458 15.063 -1.402 1.00 30.20 C ATOM 177 CG ARG A 13 -4.445 14.400 0.023 1.00 65.44 C ATOM 178 CD ARG A 13 -5.844 14.140 0.628 1.00 34.15 C ATOM 179 NE ARG A 13 -6.530 12.999 0.002 1.00 33.04 N ATOM 180 CZ ARG A 13 -7.803 12.691 0.150 1.00 14.51 C ATOM 181 NH1 ARG A 13 -8.616 13.448 0.798 1.00 52.41 N ATOM 182 NH2 ARG A 13 -8.248 11.589 -0.361 1.00 2.42 N ATOM 0 H ARG A 13 -4.110 15.918 -3.737 1.00 51.44 H new ATOM 0 HA ARG A 13 -2.965 13.742 -2.262 1.00 33.42 H new ATOM 0 HB2 ARG A 13 -3.862 15.975 -1.365 1.00 30.20 H new ATOM 0 HB3 ARG A 13 -5.480 15.359 -1.637 1.00 30.20 H new ATOM 0 HG2 ARG A 13 -3.908 13.453 -0.037 1.00 65.44 H new ATOM 0 HG3 ARG A 13 -3.884 15.042 0.702 1.00 65.44 H new ATOM 0 HD2 ARG A 13 -5.744 13.956 1.698 1.00 34.15 H new ATOM 0 HD3 ARG A 13 -6.457 15.034 0.514 1.00 34.15 H new ATOM 0 HE ARG A 13 -5.972 12.393 -0.599 1.00 33.04 H new ATOM 0 HH11 ARG A 13 -8.281 14.316 1.216 1.00 52.41 H new ATOM 0 HH12 ARG A 13 -9.596 13.180 0.894 1.00 52.41 H new ATOM 0 HH21 ARG A 13 -7.616 10.971 -0.871 1.00 2.42 H new ATOM 0 HH22 ARG A 13 -9.231 11.338 -0.254 1.00 2.42 H new ATOM 196 N ASN A 14 -6.100 13.330 -3.365 1.00 65.10 N ATOM 197 CA ASN A 14 -7.175 12.333 -3.654 1.00 50.24 C ATOM 198 C ASN A 14 -6.732 11.296 -4.707 1.00 23.43 C ATOM 199 O ASN A 14 -7.114 10.129 -4.628 1.00 40.11 O ATOM 200 CB ASN A 14 -8.464 13.068 -4.118 1.00 23.43 C ATOM 201 CG ASN A 14 -9.622 12.122 -4.488 1.00 74.21 C ATOM 202 OD1 ASN A 14 -9.823 11.782 -5.650 1.00 61.44 O ATOM 203 ND2 ASN A 14 -10.369 11.671 -3.500 1.00 3.13 N ATOM 0 H ASN A 14 -6.361 14.288 -3.598 1.00 65.10 H new ATOM 0 HA ASN A 14 -7.382 11.786 -2.734 1.00 50.24 H new ATOM 0 HB2 ASN A 14 -8.794 13.738 -3.324 1.00 23.43 H new ATOM 0 HB3 ASN A 14 -8.226 13.690 -4.981 1.00 23.43 H new ATOM 0 HD21 ASN A 14 -11.134 11.025 -3.693 1.00 3.13 H new ATOM 0 HD22 ASN A 14 -10.182 11.968 -2.542 1.00 3.13 H new ATOM 210 N LYS A 15 -5.904 11.744 -5.662 1.00 60.50 N ATOM 211 CA LYS A 15 -5.388 10.909 -6.765 1.00 30.32 C ATOM 212 C LYS A 15 -4.571 9.711 -6.228 1.00 75.33 C ATOM 213 O LYS A 15 -4.613 8.626 -6.811 1.00 64.02 O ATOM 214 CB LYS A 15 -4.534 11.787 -7.728 1.00 13.20 C ATOM 215 CG LYS A 15 -4.124 11.115 -9.059 1.00 62.22 C ATOM 216 CD LYS A 15 -5.340 10.694 -9.914 1.00 21.05 C ATOM 217 CE LYS A 15 -4.939 10.029 -11.245 1.00 54.23 C ATOM 218 NZ LYS A 15 -6.128 9.664 -12.058 1.00 73.03 N ATOM 0 H LYS A 15 -5.568 12.707 -5.694 1.00 60.50 H new ATOM 0 HA LYS A 15 -6.232 10.498 -7.318 1.00 30.32 H new ATOM 0 HB2 LYS A 15 -5.094 12.694 -7.957 1.00 13.20 H new ATOM 0 HB3 LYS A 15 -3.629 12.095 -7.204 1.00 13.20 H new ATOM 0 HG2 LYS A 15 -3.503 11.803 -9.632 1.00 62.22 H new ATOM 0 HG3 LYS A 15 -3.514 10.237 -8.845 1.00 62.22 H new ATOM 0 HD2 LYS A 15 -5.958 10.003 -9.341 1.00 21.05 H new ATOM 0 HD3 LYS A 15 -5.952 11.572 -10.123 1.00 21.05 H new ATOM 0 HE2 LYS A 15 -4.304 10.708 -11.814 1.00 54.23 H new ATOM 0 HE3 LYS A 15 -4.349 9.135 -11.042 1.00 54.23 H new ATOM 0 HZ1 LYS A 15 -5.818 9.219 -12.946 1.00 73.03 H new ATOM 0 HZ2 LYS A 15 -6.721 8.997 -11.525 1.00 73.03 H new ATOM 0 HZ3 LYS A 15 -6.678 10.520 -12.273 1.00 73.03 H new ATOM 232 N CYS A 16 -3.875 9.933 -5.090 1.00 41.21 N ATOM 233 CA CYS A 16 -3.123 8.881 -4.370 1.00 75.44 C ATOM 234 C CYS A 16 -4.063 7.767 -3.860 1.00 70.12 C ATOM 235 O CYS A 16 -3.789 6.591 -4.082 1.00 32.31 O ATOM 236 CB CYS A 16 -2.330 9.493 -3.196 1.00 61.14 C ATOM 237 SG CYS A 16 -1.194 10.798 -3.696 1.00 45.33 S ATOM 0 H CYS A 16 -3.819 10.849 -4.644 1.00 41.21 H new ATOM 0 HA CYS A 16 -2.422 8.432 -5.073 1.00 75.44 H new ATOM 0 HB2 CYS A 16 -3.032 9.894 -2.465 1.00 61.14 H new ATOM 0 HB3 CYS A 16 -1.767 8.704 -2.698 1.00 61.14 H new ATOM 0 HG CYS A 16 -1.040 11.638 -2.716 1.00 45.33 H new ATOM 243 N ARG A 17 -5.176 8.158 -3.196 1.00 54.31 N ATOM 244 CA ARG A 17 -6.211 7.207 -2.696 1.00 60.33 C ATOM 245 C ARG A 17 -6.730 6.312 -3.853 1.00 11.24 C ATOM 246 O ARG A 17 -6.741 5.084 -3.742 1.00 74.31 O ATOM 247 CB ARG A 17 -7.401 8.001 -2.046 1.00 21.32 C ATOM 248 CG ARG A 17 -8.144 7.301 -0.877 1.00 5.13 C ATOM 249 CD ARG A 17 -8.909 6.027 -1.276 1.00 53.31 C ATOM 250 NE ARG A 17 -9.909 6.272 -2.332 1.00 63.32 N ATOM 251 CZ ARG A 17 -11.092 5.707 -2.418 1.00 25.22 C ATOM 252 NH1 ARG A 17 -11.500 4.857 -1.528 1.00 73.11 N ATOM 253 NH2 ARG A 17 -11.867 6.011 -3.404 1.00 35.31 N ATOM 0 H ARG A 17 -5.386 9.135 -2.990 1.00 54.31 H new ATOM 0 HA ARG A 17 -5.760 6.565 -1.940 1.00 60.33 H new ATOM 0 HB2 ARG A 17 -7.017 8.955 -1.684 1.00 21.32 H new ATOM 0 HB3 ARG A 17 -8.128 8.226 -2.827 1.00 21.32 H new ATOM 0 HG2 ARG A 17 -7.419 7.047 -0.104 1.00 5.13 H new ATOM 0 HG3 ARG A 17 -8.847 8.008 -0.435 1.00 5.13 H new ATOM 0 HD2 ARG A 17 -8.199 5.275 -1.620 1.00 53.31 H new ATOM 0 HD3 ARG A 17 -9.407 5.617 -0.397 1.00 53.31 H new ATOM 0 HE ARG A 17 -9.660 6.940 -3.061 1.00 63.32 H new ATOM 0 HH11 ARG A 17 -10.898 4.615 -0.741 1.00 73.11 H new ATOM 0 HH12 ARG A 17 -12.423 4.431 -1.615 1.00 73.11 H new ATOM 0 HH21 ARG A 17 -11.559 6.684 -4.106 1.00 35.31 H new ATOM 0 HH22 ARG A 17 -12.788 5.579 -3.481 1.00 35.31 H new ATOM 267 N GLU A 18 -7.117 6.965 -4.964 1.00 62.31 N ATOM 268 CA GLU A 18 -7.726 6.293 -6.140 1.00 51.15 C ATOM 269 C GLU A 18 -6.768 5.260 -6.794 1.00 62.14 C ATOM 270 O GLU A 18 -7.162 4.119 -7.068 1.00 63.22 O ATOM 271 CB GLU A 18 -8.165 7.341 -7.202 1.00 33.23 C ATOM 272 CG GLU A 18 -9.004 8.519 -6.658 1.00 63.32 C ATOM 273 CD GLU A 18 -10.219 8.101 -5.807 1.00 1.42 C ATOM 274 OE1 GLU A 18 -11.219 7.612 -6.372 1.00 13.32 O ATOM 275 OE2 GLU A 18 -10.180 8.259 -4.566 1.00 13.34 O ATOM 0 H GLU A 18 -7.019 7.974 -5.078 1.00 62.31 H new ATOM 0 HA GLU A 18 -8.599 5.752 -5.774 1.00 51.15 H new ATOM 0 HB2 GLU A 18 -7.273 7.743 -7.683 1.00 33.23 H new ATOM 0 HB3 GLU A 18 -8.741 6.832 -7.975 1.00 33.23 H new ATOM 0 HG2 GLU A 18 -8.359 9.160 -6.057 1.00 63.32 H new ATOM 0 HG3 GLU A 18 -9.354 9.117 -7.499 1.00 63.32 H new ATOM 282 N MET A 19 -5.502 5.678 -7.023 1.00 12.01 N ATOM 283 CA MET A 19 -4.486 4.844 -7.718 1.00 64.13 C ATOM 284 C MET A 19 -3.986 3.667 -6.833 1.00 61.40 C ATOM 285 O MET A 19 -3.645 2.596 -7.352 1.00 24.41 O ATOM 286 CB MET A 19 -3.292 5.709 -8.217 1.00 55.31 C ATOM 287 CG MET A 19 -2.449 6.366 -7.119 1.00 34.05 C ATOM 288 SD MET A 19 -0.959 7.167 -7.761 1.00 14.24 S ATOM 289 CE MET A 19 -1.619 8.500 -8.743 1.00 44.45 C ATOM 0 H MET A 19 -5.155 6.593 -6.736 1.00 12.01 H new ATOM 0 HA MET A 19 -4.978 4.407 -8.587 1.00 64.13 H new ATOM 0 HB2 MET A 19 -2.640 5.081 -8.825 1.00 55.31 H new ATOM 0 HB3 MET A 19 -3.680 6.491 -8.870 1.00 55.31 H new ATOM 0 HG2 MET A 19 -3.056 7.105 -6.595 1.00 34.05 H new ATOM 0 HG3 MET A 19 -2.163 5.611 -6.387 1.00 34.05 H new ATOM 0 HE1 MET A 19 -1.145 8.498 -9.724 1.00 44.45 H new ATOM 0 HE2 MET A 19 -2.695 8.368 -8.859 1.00 44.45 H new ATOM 0 HE3 MET A 19 -1.422 9.450 -8.246 1.00 44.45 H new ATOM 299 N LEU A 20 -3.947 3.878 -5.498 1.00 0.42 N ATOM 300 CA LEU A 20 -3.634 2.801 -4.528 1.00 74.42 C ATOM 301 C LEU A 20 -4.772 1.759 -4.485 1.00 13.33 C ATOM 302 O LEU A 20 -4.508 0.560 -4.439 1.00 44.20 O ATOM 303 CB LEU A 20 -3.374 3.376 -3.108 1.00 11.42 C ATOM 304 CG LEU A 20 -2.074 4.232 -2.924 1.00 52.13 C ATOM 305 CD1 LEU A 20 -1.998 4.839 -1.498 1.00 75.01 C ATOM 306 CD2 LEU A 20 -0.805 3.403 -3.252 1.00 35.25 C ATOM 0 H LEU A 20 -4.128 4.784 -5.066 1.00 0.42 H new ATOM 0 HA LEU A 20 -2.721 2.309 -4.864 1.00 74.42 H new ATOM 0 HB2 LEU A 20 -4.229 3.991 -2.828 1.00 11.42 H new ATOM 0 HB3 LEU A 20 -3.336 2.544 -2.405 1.00 11.42 H new ATOM 0 HG LEU A 20 -2.119 5.059 -3.632 1.00 52.13 H new ATOM 0 HD11 LEU A 20 -1.085 5.427 -1.401 1.00 75.01 H new ATOM 0 HD12 LEU A 20 -2.863 5.481 -1.329 1.00 75.01 H new ATOM 0 HD13 LEU A 20 -1.992 4.036 -0.761 1.00 75.01 H new ATOM 0 HD21 LEU A 20 0.081 4.024 -3.115 1.00 35.25 H new ATOM 0 HD22 LEU A 20 -0.751 2.542 -2.586 1.00 35.25 H new ATOM 0 HD23 LEU A 20 -0.852 3.060 -4.286 1.00 35.25 H new ATOM 318 N THR A 21 -6.038 2.241 -4.521 1.00 44.22 N ATOM 319 CA THR A 21 -7.244 1.370 -4.592 1.00 64.11 C ATOM 320 C THR A 21 -7.223 0.484 -5.865 1.00 14.03 C ATOM 321 O THR A 21 -7.612 -0.685 -5.824 1.00 63.42 O ATOM 322 CB THR A 21 -8.579 2.205 -4.568 1.00 32.40 C ATOM 323 OG1 THR A 21 -8.620 3.053 -3.414 1.00 20.43 O ATOM 324 CG2 THR A 21 -9.831 1.309 -4.550 1.00 20.51 C ATOM 0 H THR A 21 -6.255 3.238 -4.502 1.00 44.22 H new ATOM 0 HA THR A 21 -7.215 0.735 -3.707 1.00 64.11 H new ATOM 0 HB THR A 21 -8.586 2.798 -5.482 1.00 32.40 H new ATOM 0 HG1 THR A 21 -7.963 3.773 -3.514 1.00 20.43 H new ATOM 0 HG21 THR A 21 -10.725 1.933 -4.534 1.00 20.51 H new ATOM 0 HG22 THR A 21 -9.842 0.682 -5.441 1.00 20.51 H new ATOM 0 HG23 THR A 21 -9.813 0.677 -3.662 1.00 20.51 H new ATOM 332 N ALA A 22 -6.752 1.064 -6.985 1.00 71.41 N ATOM 333 CA ALA A 22 -6.580 0.340 -8.267 1.00 55.45 C ATOM 334 C ALA A 22 -5.556 -0.819 -8.133 1.00 1.02 C ATOM 335 O ALA A 22 -5.775 -1.919 -8.659 1.00 42.50 O ATOM 336 CB ALA A 22 -6.152 1.330 -9.365 1.00 70.33 C ATOM 0 H ALA A 22 -6.479 2.046 -7.031 1.00 71.41 H new ATOM 0 HA ALA A 22 -7.535 -0.107 -8.543 1.00 55.45 H new ATOM 0 HB1 ALA A 22 -6.026 0.796 -10.307 1.00 70.33 H new ATOM 0 HB2 ALA A 22 -6.918 2.097 -9.482 1.00 70.33 H new ATOM 0 HB3 ALA A 22 -5.209 1.799 -9.085 1.00 70.33 H new ATOM 342 N ALA A 23 -4.450 -0.558 -7.407 1.00 24.02 N ATOM 343 CA ALA A 23 -3.423 -1.582 -7.080 1.00 31.41 C ATOM 344 C ALA A 23 -3.976 -2.677 -6.130 1.00 50.13 C ATOM 345 O ALA A 23 -3.505 -3.814 -6.139 1.00 70.41 O ATOM 346 CB ALA A 23 -2.193 -0.910 -6.450 1.00 42.11 C ATOM 0 H ALA A 23 -4.239 0.366 -7.029 1.00 24.02 H new ATOM 0 HA ALA A 23 -3.136 -2.070 -8.012 1.00 31.41 H new ATOM 0 HB1 ALA A 23 -1.446 -1.667 -6.214 1.00 42.11 H new ATOM 0 HB2 ALA A 23 -1.771 -0.191 -7.153 1.00 42.11 H new ATOM 0 HB3 ALA A 23 -2.488 -0.394 -5.536 1.00 42.11 H new ATOM 352 N LEU A 24 -4.965 -2.303 -5.296 1.00 3.30 N ATOM 353 CA LEU A 24 -5.642 -3.233 -4.358 1.00 64.32 C ATOM 354 C LEU A 24 -6.788 -4.031 -5.029 1.00 60.21 C ATOM 355 O LEU A 24 -7.367 -4.918 -4.409 1.00 45.31 O ATOM 356 CB LEU A 24 -6.189 -2.449 -3.133 1.00 10.45 C ATOM 357 CG LEU A 24 -5.135 -1.673 -2.284 1.00 12.21 C ATOM 358 CD1 LEU A 24 -5.783 -0.973 -1.069 1.00 65.25 C ATOM 359 CD2 LEU A 24 -3.985 -2.592 -1.853 1.00 24.32 C ATOM 0 H LEU A 24 -5.321 -1.348 -5.250 1.00 3.30 H new ATOM 0 HA LEU A 24 -4.895 -3.957 -4.033 1.00 64.32 H new ATOM 0 HB2 LEU A 24 -6.935 -1.737 -3.487 1.00 10.45 H new ATOM 0 HB3 LEU A 24 -6.705 -3.152 -2.479 1.00 10.45 H new ATOM 0 HG LEU A 24 -4.716 -0.892 -2.919 1.00 12.21 H new ATOM 0 HD11 LEU A 24 -5.017 -0.443 -0.503 1.00 65.25 H new ATOM 0 HD12 LEU A 24 -6.534 -0.263 -1.416 1.00 65.25 H new ATOM 0 HD13 LEU A 24 -6.257 -1.718 -0.430 1.00 65.25 H new ATOM 0 HD21 LEU A 24 -3.266 -2.023 -1.263 1.00 24.32 H new ATOM 0 HD22 LEU A 24 -4.380 -3.412 -1.253 1.00 24.32 H new ATOM 0 HD23 LEU A 24 -3.491 -2.995 -2.737 1.00 24.32 H new ATOM 371 N GLN A 25 -7.136 -3.670 -6.277 1.00 72.15 N ATOM 372 CA GLN A 25 -8.180 -4.367 -7.079 1.00 35.43 C ATOM 373 C GLN A 25 -7.588 -4.974 -8.372 1.00 53.32 C ATOM 374 O GLN A 25 -8.343 -5.347 -9.281 1.00 75.11 O ATOM 375 CB GLN A 25 -9.323 -3.374 -7.439 1.00 43.45 C ATOM 376 CG GLN A 25 -10.056 -2.766 -6.231 1.00 71.51 C ATOM 377 CD GLN A 25 -11.259 -1.907 -6.624 1.00 34.13 C ATOM 378 OE1 GLN A 25 -11.024 -0.650 -6.938 1.00 32.14 O flip ATOM 379 NE2 GLN A 25 -12.385 -2.386 -6.676 1.00 3.33 N flip ATOM 0 H GLN A 25 -6.705 -2.886 -6.767 1.00 72.15 H new ATOM 0 HA GLN A 25 -8.579 -5.182 -6.475 1.00 35.43 H new ATOM 0 HB2 GLN A 25 -8.906 -2.564 -8.038 1.00 43.45 H new ATOM 0 HB3 GLN A 25 -10.051 -3.891 -8.065 1.00 43.45 H new ATOM 0 HG2 GLN A 25 -10.391 -3.570 -5.575 1.00 71.51 H new ATOM 0 HG3 GLN A 25 -9.356 -2.158 -5.658 1.00 71.51 H new ATOM 0 HE21 GLN A 25 -12.535 -3.364 -6.426 1.00 3.33 H new ATOM 0 HE22 GLN A 25 -13.172 -1.807 -6.969 1.00 3.33 H new ATOM 388 N THR A 26 -6.249 -5.115 -8.415 1.00 20.10 N ATOM 389 CA THR A 26 -5.510 -5.534 -9.637 1.00 13.21 C ATOM 390 C THR A 26 -5.929 -6.935 -10.168 1.00 73.12 C ATOM 391 O THR A 26 -6.230 -7.082 -11.356 1.00 1.13 O ATOM 392 CB THR A 26 -3.946 -5.490 -9.435 1.00 53.13 C ATOM 393 OG1 THR A 26 -3.282 -5.992 -10.610 1.00 2.33 O ATOM 394 CG2 THR A 26 -3.470 -6.286 -8.197 1.00 42.10 C ATOM 0 H THR A 26 -5.645 -4.944 -7.611 1.00 20.10 H new ATOM 0 HA THR A 26 -5.790 -4.800 -10.392 1.00 13.21 H new ATOM 0 HB THR A 26 -3.685 -4.445 -9.267 1.00 53.13 H new ATOM 0 HG1 THR A 26 -3.120 -6.953 -10.509 1.00 2.33 H new ATOM 0 HG21 THR A 26 -2.385 -6.216 -8.114 1.00 42.10 H new ATOM 0 HG22 THR A 26 -3.930 -5.872 -7.300 1.00 42.10 H new ATOM 0 HG23 THR A 26 -3.759 -7.332 -8.304 1.00 42.10 H new ATOM 402 N ASP A 27 -5.975 -7.954 -9.286 1.00 53.11 N ATOM 403 CA ASP A 27 -6.247 -9.367 -9.691 1.00 64.52 C ATOM 404 C ASP A 27 -7.352 -10.012 -8.822 1.00 4.41 C ATOM 405 O ASP A 27 -7.372 -11.235 -8.651 1.00 73.05 O ATOM 406 CB ASP A 27 -4.934 -10.197 -9.607 1.00 22.23 C ATOM 407 CG ASP A 27 -3.856 -9.677 -10.565 1.00 52.11 C ATOM 408 OD1 ASP A 27 -4.030 -9.822 -11.791 1.00 50.43 O ATOM 409 OD2 ASP A 27 -2.843 -9.112 -10.105 1.00 22.53 O ATOM 0 H ASP A 27 -5.828 -7.834 -8.284 1.00 53.11 H new ATOM 0 HA ASP A 27 -6.608 -9.361 -10.719 1.00 64.52 H new ATOM 0 HB2 ASP A 27 -4.554 -10.169 -8.586 1.00 22.23 H new ATOM 0 HB3 ASP A 27 -5.150 -11.240 -9.838 1.00 22.23 H new ATOM 414 N HIS A 28 -8.292 -9.174 -8.310 1.00 4.32 N ATOM 415 CA HIS A 28 -9.357 -9.605 -7.353 1.00 3.32 C ATOM 416 C HIS A 28 -8.736 -10.215 -6.058 1.00 62.12 C ATOM 417 O HIS A 28 -9.365 -11.016 -5.358 1.00 71.40 O ATOM 418 CB HIS A 28 -10.365 -10.595 -8.019 1.00 60.24 C ATOM 419 CG HIS A 28 -11.026 -10.066 -9.267 1.00 2.22 C ATOM 420 ND1 HIS A 28 -11.062 -10.751 -10.462 1.00 12.41 N ATOM 421 CD2 HIS A 28 -11.688 -8.911 -9.489 1.00 72.41 C ATOM 422 CE1 HIS A 28 -11.718 -10.043 -11.357 1.00 74.14 C ATOM 423 NE2 HIS A 28 -12.109 -8.919 -10.793 1.00 30.43 N ATOM 0 H HIS A 28 -8.336 -8.183 -8.546 1.00 4.32 H new ATOM 0 HA HIS A 28 -9.918 -8.715 -7.067 1.00 3.32 H new ATOM 0 HB2 HIS A 28 -9.840 -11.518 -8.264 1.00 60.24 H new ATOM 0 HB3 HIS A 28 -11.138 -10.850 -7.294 1.00 60.24 H new ATOM 0 HD2 HIS A 28 -11.856 -8.123 -8.769 1.00 72.41 H new ATOM 0 HE1 HIS A 28 -11.904 -10.334 -12.380 1.00 74.14 H new ATOM 0 HE2 HIS A 28 -12.638 -8.177 -11.251 1.00 30.43 H new ATOM 432 N ASP A 29 -7.509 -9.760 -5.757 1.00 41.51 N ATOM 433 CA ASP A 29 -6.669 -10.197 -4.617 1.00 20.53 C ATOM 434 C ASP A 29 -7.379 -10.008 -3.248 1.00 34.15 C ATOM 435 O ASP A 29 -7.401 -10.921 -2.406 1.00 61.33 O ATOM 436 CB ASP A 29 -5.317 -9.412 -4.683 1.00 25.45 C ATOM 437 CG ASP A 29 -5.515 -7.880 -4.861 1.00 64.51 C ATOM 438 OD1 ASP A 29 -5.806 -7.433 -6.007 1.00 20.34 O ATOM 439 OD2 ASP A 29 -5.433 -7.137 -3.859 1.00 15.00 O ATOM 0 H ASP A 29 -7.050 -9.046 -6.323 1.00 41.51 H new ATOM 0 HA ASP A 29 -6.483 -11.268 -4.698 1.00 20.53 H new ATOM 0 HB2 ASP A 29 -4.751 -9.596 -3.770 1.00 25.45 H new ATOM 0 HB3 ASP A 29 -4.720 -9.795 -5.511 1.00 25.45 H new ATOM 444 N HIS A 30 -7.965 -8.815 -3.055 1.00 55.30 N ATOM 445 CA HIS A 30 -8.763 -8.484 -1.856 1.00 44.42 C ATOM 446 C HIS A 30 -10.052 -9.345 -1.753 1.00 5.10 C ATOM 447 O HIS A 30 -10.474 -9.694 -0.653 1.00 35.22 O ATOM 448 CB HIS A 30 -9.105 -6.973 -1.845 1.00 42.33 C ATOM 449 CG HIS A 30 -10.038 -6.525 -2.943 1.00 22.14 C ATOM 450 ND1 HIS A 30 -11.295 -6.023 -2.706 1.00 65.24 N ATOM 451 CD2 HIS A 30 -9.876 -6.482 -4.286 1.00 25.42 C ATOM 452 CE1 HIS A 30 -11.855 -5.689 -3.847 1.00 61.40 C ATOM 453 NE2 HIS A 30 -11.020 -5.959 -4.816 1.00 72.31 N ATOM 0 H HIS A 30 -7.900 -8.049 -3.726 1.00 55.30 H new ATOM 0 HA HIS A 30 -8.157 -8.718 -0.980 1.00 44.42 H new ATOM 0 HB2 HIS A 30 -9.553 -6.724 -0.883 1.00 42.33 H new ATOM 0 HB3 HIS A 30 -8.178 -6.405 -1.922 1.00 42.33 H new ATOM 0 HD1 HIS A 30 -11.726 -5.925 -1.787 1.00 65.24 H new ATOM 0 HD2 HIS A 30 -9.004 -6.802 -4.836 1.00 25.42 H new ATOM 0 HE1 HIS A 30 -12.840 -5.263 -3.965 1.00 61.40 H new ATOM 462 N VAL A 31 -10.649 -9.701 -2.913 1.00 75.22 N ATOM 463 CA VAL A 31 -11.896 -10.516 -2.976 1.00 14.24 C ATOM 464 C VAL A 31 -11.634 -11.966 -2.489 1.00 43.51 C ATOM 465 O VAL A 31 -12.453 -12.547 -1.772 1.00 14.01 O ATOM 466 CB VAL A 31 -12.489 -10.552 -4.440 1.00 11.13 C ATOM 467 CG1 VAL A 31 -13.832 -11.327 -4.502 1.00 43.41 C ATOM 468 CG2 VAL A 31 -12.638 -9.125 -5.016 1.00 44.43 C ATOM 0 H VAL A 31 -10.287 -9.436 -3.829 1.00 75.22 H new ATOM 0 HA VAL A 31 -12.623 -10.042 -2.317 1.00 14.24 H new ATOM 0 HB VAL A 31 -11.778 -11.093 -5.064 1.00 11.13 H new ATOM 0 HG11 VAL A 31 -14.205 -11.327 -5.526 1.00 43.41 H new ATOM 0 HG12 VAL A 31 -13.675 -12.354 -4.173 1.00 43.41 H new ATOM 0 HG13 VAL A 31 -14.561 -10.845 -3.851 1.00 43.41 H new ATOM 0 HG21 VAL A 31 -13.048 -9.181 -6.024 1.00 44.43 H new ATOM 0 HG22 VAL A 31 -13.309 -8.545 -4.383 1.00 44.43 H new ATOM 0 HG23 VAL A 31 -11.662 -8.642 -5.048 1.00 44.43 H new ATOM 478 N ALA A 32 -10.463 -12.509 -2.884 1.00 32.21 N ATOM 479 CA ALA A 32 -10.008 -13.873 -2.508 1.00 53.32 C ATOM 480 C ALA A 32 -9.903 -14.059 -0.974 1.00 74.04 C ATOM 481 O ALA A 32 -10.148 -15.146 -0.449 1.00 53.41 O ATOM 482 CB ALA A 32 -8.646 -14.159 -3.170 1.00 41.13 C ATOM 0 H ALA A 32 -9.798 -12.013 -3.478 1.00 32.21 H new ATOM 0 HA ALA A 32 -10.755 -14.582 -2.865 1.00 53.32 H new ATOM 0 HB1 ALA A 32 -8.311 -15.159 -2.895 1.00 41.13 H new ATOM 0 HB2 ALA A 32 -8.747 -14.095 -4.253 1.00 41.13 H new ATOM 0 HB3 ALA A 32 -7.915 -13.425 -2.830 1.00 41.13 H new ATOM 488 N ILE A 33 -9.525 -12.974 -0.277 1.00 55.00 N ATOM 489 CA ILE A 33 -9.383 -12.951 1.200 1.00 4.24 C ATOM 490 C ILE A 33 -10.674 -12.412 1.889 1.00 45.44 C ATOM 491 O ILE A 33 -10.938 -12.716 3.052 1.00 42.50 O ATOM 492 CB ILE A 33 -8.113 -12.091 1.589 1.00 33.22 C ATOM 493 CG1 ILE A 33 -6.843 -12.715 0.906 1.00 11.42 C ATOM 494 CG2 ILE A 33 -7.919 -11.969 3.130 1.00 25.12 C ATOM 495 CD1 ILE A 33 -5.531 -11.993 1.148 1.00 55.22 C ATOM 0 H ILE A 33 -9.307 -12.081 -0.719 1.00 55.00 H new ATOM 0 HA ILE A 33 -9.242 -13.970 1.559 1.00 4.24 H new ATOM 0 HB ILE A 33 -8.266 -11.075 1.225 1.00 33.22 H new ATOM 0 HG12 ILE A 33 -6.738 -13.743 1.253 1.00 11.42 H new ATOM 0 HG13 ILE A 33 -7.018 -12.757 -0.169 1.00 11.42 H new ATOM 0 HG21 ILE A 33 -7.033 -11.369 3.339 1.00 25.12 H new ATOM 0 HG22 ILE A 33 -8.794 -11.490 3.570 1.00 25.12 H new ATOM 0 HG23 ILE A 33 -7.794 -12.962 3.561 1.00 25.12 H new ATOM 0 HD11 ILE A 33 -4.727 -12.515 0.628 1.00 55.22 H new ATOM 0 HD12 ILE A 33 -5.603 -10.972 0.773 1.00 55.22 H new ATOM 0 HD13 ILE A 33 -5.318 -11.973 2.217 1.00 55.22 H new ATOM 507 N GLY A 34 -11.488 -11.645 1.141 1.00 51.55 N ATOM 508 CA GLY A 34 -12.698 -10.996 1.687 1.00 54.22 C ATOM 509 C GLY A 34 -12.426 -9.611 2.300 1.00 30.43 C ATOM 510 O GLY A 34 -13.266 -9.070 3.027 1.00 55.15 O ATOM 0 H GLY A 34 -11.330 -11.458 0.151 1.00 51.55 H new ATOM 0 HA2 GLY A 34 -13.437 -10.894 0.892 1.00 54.22 H new ATOM 0 HA3 GLY A 34 -13.136 -11.642 2.448 1.00 54.22 H new ATOM 514 N ALA A 35 -11.244 -9.041 1.997 1.00 33.11 N ATOM 515 CA ALA A 35 -10.822 -7.704 2.477 1.00 72.34 C ATOM 516 C ALA A 35 -11.412 -6.566 1.611 1.00 11.14 C ATOM 517 O ALA A 35 -11.479 -6.674 0.381 1.00 24.54 O ATOM 518 CB ALA A 35 -9.288 -7.624 2.484 1.00 22.34 C ATOM 0 H ALA A 35 -10.547 -9.496 1.408 1.00 33.11 H new ATOM 0 HA ALA A 35 -11.205 -7.572 3.489 1.00 72.34 H new ATOM 0 HB1 ALA A 35 -8.977 -6.641 2.837 1.00 22.34 H new ATOM 0 HB2 ALA A 35 -8.887 -8.391 3.146 1.00 22.34 H new ATOM 0 HB3 ALA A 35 -8.911 -7.783 1.474 1.00 22.34 H new ATOM 524 N ASP A 36 -11.849 -5.478 2.273 1.00 3.54 N ATOM 525 CA ASP A 36 -12.374 -4.272 1.601 1.00 33.43 C ATOM 526 C ASP A 36 -11.227 -3.292 1.261 1.00 60.33 C ATOM 527 O ASP A 36 -10.625 -2.697 2.147 1.00 14.22 O ATOM 528 CB ASP A 36 -13.449 -3.599 2.479 1.00 0.30 C ATOM 529 CG ASP A 36 -14.668 -4.504 2.687 1.00 64.33 C ATOM 530 OD1 ASP A 36 -14.632 -5.375 3.577 1.00 13.52 O ATOM 531 OD2 ASP A 36 -15.658 -4.370 1.934 1.00 21.21 O ATOM 0 H ASP A 36 -11.848 -5.409 3.291 1.00 3.54 H new ATOM 0 HA ASP A 36 -12.841 -4.568 0.662 1.00 33.43 H new ATOM 0 HB2 ASP A 36 -13.018 -3.342 3.447 1.00 0.30 H new ATOM 0 HB3 ASP A 36 -13.765 -2.666 2.013 1.00 0.30 H new ATOM 536 N CYS A 37 -10.960 -3.129 -0.042 1.00 11.21 N ATOM 537 CA CYS A 37 -9.758 -2.436 -0.568 1.00 64.44 C ATOM 538 C CYS A 37 -9.778 -0.894 -0.389 1.00 43.34 C ATOM 539 O CYS A 37 -8.786 -0.306 0.048 1.00 73.25 O ATOM 540 CB CYS A 37 -9.626 -2.776 -2.066 1.00 35.41 C ATOM 541 SG CYS A 37 -11.078 -2.328 -3.045 1.00 55.43 S ATOM 0 H CYS A 37 -11.576 -3.477 -0.777 1.00 11.21 H new ATOM 0 HA CYS A 37 -8.906 -2.789 0.012 1.00 64.44 H new ATOM 0 HB2 CYS A 37 -8.754 -2.262 -2.470 1.00 35.41 H new ATOM 0 HB3 CYS A 37 -9.444 -3.845 -2.172 1.00 35.41 H new ATOM 0 HG CYS A 37 -10.735 -1.475 -3.964 1.00 55.43 H new ATOM 547 N GLU A 38 -10.922 -0.266 -0.718 1.00 55.53 N ATOM 548 CA GLU A 38 -11.045 1.217 -0.858 1.00 0.01 C ATOM 549 C GLU A 38 -10.681 1.986 0.440 1.00 12.22 C ATOM 550 O GLU A 38 -10.126 3.090 0.396 1.00 24.31 O ATOM 551 CB GLU A 38 -12.489 1.586 -1.284 1.00 72.41 C ATOM 552 CG GLU A 38 -13.030 0.786 -2.479 1.00 52.25 C ATOM 553 CD GLU A 38 -14.416 1.264 -2.941 1.00 61.04 C ATOM 554 OE1 GLU A 38 -14.502 2.333 -3.573 1.00 32.35 O ATOM 555 OE2 GLU A 38 -15.421 0.578 -2.677 1.00 34.03 O ATOM 0 H GLU A 38 -11.794 -0.763 -0.897 1.00 55.53 H new ATOM 0 HA GLU A 38 -10.328 1.519 -1.622 1.00 0.01 H new ATOM 0 HB2 GLU A 38 -13.154 1.436 -0.433 1.00 72.41 H new ATOM 0 HB3 GLU A 38 -12.521 2.647 -1.530 1.00 72.41 H new ATOM 0 HG2 GLU A 38 -12.329 0.865 -3.310 1.00 52.25 H new ATOM 0 HG3 GLU A 38 -13.087 -0.268 -2.208 1.00 52.25 H new ATOM 562 N ARG A 39 -11.033 1.385 1.580 1.00 4.12 N ATOM 563 CA ARG A 39 -10.731 1.930 2.922 1.00 14.23 C ATOM 564 C ARG A 39 -9.239 1.755 3.302 1.00 63.01 C ATOM 565 O ARG A 39 -8.660 2.649 3.915 1.00 25.23 O ATOM 566 CB ARG A 39 -11.656 1.262 3.974 1.00 61.03 C ATOM 567 CG ARG A 39 -11.684 -0.275 3.901 1.00 61.44 C ATOM 568 CD ARG A 39 -12.699 -0.916 4.859 1.00 12.53 C ATOM 569 NE ARG A 39 -12.252 -0.866 6.260 1.00 43.10 N ATOM 570 CZ ARG A 39 -11.662 -1.857 6.902 1.00 64.04 C ATOM 571 NH1 ARG A 39 -11.412 -2.984 6.308 1.00 50.21 N ATOM 572 NH2 ARG A 39 -11.330 -1.716 8.143 1.00 45.13 N ATOM 0 H ARG A 39 -11.539 0.500 1.606 1.00 4.12 H new ATOM 0 HA ARG A 39 -10.922 3.003 2.903 1.00 14.23 H new ATOM 0 HB2 ARG A 39 -11.331 1.562 4.970 1.00 61.03 H new ATOM 0 HB3 ARG A 39 -12.670 1.640 3.842 1.00 61.03 H new ATOM 0 HG2 ARG A 39 -11.918 -0.578 2.880 1.00 61.44 H new ATOM 0 HG3 ARG A 39 -10.690 -0.660 4.128 1.00 61.44 H new ATOM 0 HD2 ARG A 39 -13.656 -0.403 4.767 1.00 12.53 H new ATOM 0 HD3 ARG A 39 -12.864 -1.954 4.569 1.00 12.53 H new ATOM 0 HE ARG A 39 -12.410 0.001 6.774 1.00 43.10 H new ATOM 0 HH11 ARG A 39 -11.672 -3.114 5.330 1.00 50.21 H new ATOM 0 HH12 ARG A 39 -10.955 -3.739 6.819 1.00 50.21 H new ATOM 0 HH21 ARG A 39 -11.524 -0.839 8.626 1.00 45.13 H new ATOM 0 HH22 ARG A 39 -10.874 -2.482 8.639 1.00 45.13 H new ATOM 586 N LEU A 40 -8.619 0.613 2.908 1.00 32.10 N ATOM 587 CA LEU A 40 -7.202 0.302 3.258 1.00 21.04 C ATOM 588 C LEU A 40 -6.226 1.327 2.639 1.00 74.52 C ATOM 589 O LEU A 40 -5.298 1.787 3.304 1.00 21.24 O ATOM 590 CB LEU A 40 -6.811 -1.132 2.802 1.00 10.01 C ATOM 591 CG LEU A 40 -7.714 -2.297 3.324 1.00 72.31 C ATOM 592 CD1 LEU A 40 -7.185 -3.674 2.858 1.00 11.32 C ATOM 593 CD2 LEU A 40 -7.888 -2.251 4.861 1.00 64.14 C ATOM 0 H LEU A 40 -9.074 -0.108 2.349 1.00 32.10 H new ATOM 0 HA LEU A 40 -7.125 0.361 4.344 1.00 21.04 H new ATOM 0 HB2 LEU A 40 -6.816 -1.157 1.712 1.00 10.01 H new ATOM 0 HB3 LEU A 40 -5.787 -1.325 3.121 1.00 10.01 H new ATOM 0 HG LEU A 40 -8.702 -2.156 2.886 1.00 72.31 H new ATOM 0 HD11 LEU A 40 -7.836 -4.461 3.238 1.00 11.32 H new ATOM 0 HD12 LEU A 40 -7.171 -3.709 1.769 1.00 11.32 H new ATOM 0 HD13 LEU A 40 -6.174 -3.823 3.238 1.00 11.32 H new ATOM 0 HD21 LEU A 40 -8.522 -3.078 5.180 1.00 64.14 H new ATOM 0 HD22 LEU A 40 -6.913 -2.336 5.340 1.00 64.14 H new ATOM 0 HD23 LEU A 40 -8.352 -1.307 5.147 1.00 64.14 H new ATOM 605 N SER A 41 -6.474 1.674 1.362 1.00 75.14 N ATOM 606 CA SER A 41 -5.689 2.687 0.606 1.00 4.33 C ATOM 607 C SER A 41 -5.756 4.084 1.267 1.00 21.41 C ATOM 608 O SER A 41 -4.763 4.815 1.297 1.00 64.25 O ATOM 609 CB SER A 41 -6.223 2.780 -0.835 1.00 71.23 C ATOM 610 OG SER A 41 -7.598 3.116 -0.831 1.00 73.34 O ATOM 0 H SER A 41 -7.229 1.260 0.815 1.00 75.14 H new ATOM 0 HA SER A 41 -4.647 2.366 0.607 1.00 4.33 H new ATOM 0 HB2 SER A 41 -5.660 3.530 -1.390 1.00 71.23 H new ATOM 0 HB3 SER A 41 -6.076 1.829 -1.346 1.00 71.23 H new ATOM 0 HG SER A 41 -7.944 3.091 -1.748 1.00 73.34 H new ATOM 616 N ALA A 42 -6.949 4.431 1.780 1.00 2.31 N ATOM 617 CA ALA A 42 -7.189 5.693 2.517 1.00 51.44 C ATOM 618 C ALA A 42 -6.440 5.727 3.874 1.00 22.32 C ATOM 619 O ALA A 42 -5.953 6.779 4.290 1.00 2.11 O ATOM 620 CB ALA A 42 -8.696 5.884 2.728 1.00 43.13 C ATOM 0 H ALA A 42 -7.780 3.845 1.697 1.00 2.31 H new ATOM 0 HA ALA A 42 -6.796 6.514 1.917 1.00 51.44 H new ATOM 0 HB1 ALA A 42 -8.873 6.813 3.270 1.00 43.13 H new ATOM 0 HB2 ALA A 42 -9.196 5.928 1.761 1.00 43.13 H new ATOM 0 HB3 ALA A 42 -9.092 5.047 3.303 1.00 43.13 H new ATOM 626 N GLN A 43 -6.366 4.556 4.548 1.00 50.30 N ATOM 627 CA GLN A 43 -5.610 4.393 5.822 1.00 23.44 C ATOM 628 C GLN A 43 -4.069 4.522 5.593 1.00 30.12 C ATOM 629 O GLN A 43 -3.335 4.960 6.488 1.00 42.34 O ATOM 630 CB GLN A 43 -5.935 3.015 6.469 1.00 12.10 C ATOM 631 CG GLN A 43 -7.426 2.780 6.810 1.00 71.30 C ATOM 632 CD GLN A 43 -7.744 1.343 7.263 1.00 24.32 C ATOM 633 OE1 GLN A 43 -6.927 0.673 7.876 1.00 23.14 O ATOM 634 NE2 GLN A 43 -8.932 0.853 6.952 1.00 5.42 N ATOM 0 H GLN A 43 -6.823 3.701 4.231 1.00 50.30 H new ATOM 0 HA GLN A 43 -5.921 5.191 6.496 1.00 23.44 H new ATOM 0 HB2 GLN A 43 -5.606 2.227 5.791 1.00 12.10 H new ATOM 0 HB3 GLN A 43 -5.350 2.914 7.383 1.00 12.10 H new ATOM 0 HG2 GLN A 43 -7.722 3.473 7.598 1.00 71.30 H new ATOM 0 HG3 GLN A 43 -8.030 3.016 5.934 1.00 71.30 H new ATOM 0 HE21 GLN A 43 -9.602 1.427 6.440 1.00 5.42 H new ATOM 0 HE22 GLN A 43 -9.178 -0.099 7.224 1.00 5.42 H new ATOM 643 N ILE A 44 -3.600 4.105 4.394 1.00 23.35 N ATOM 644 CA ILE A 44 -2.200 4.324 3.943 1.00 11.51 C ATOM 645 C ILE A 44 -1.940 5.836 3.723 1.00 22.33 C ATOM 646 O ILE A 44 -0.963 6.405 4.233 1.00 41.45 O ATOM 647 CB ILE A 44 -1.905 3.544 2.589 1.00 33.33 C ATOM 648 CG1 ILE A 44 -2.149 2.009 2.757 1.00 63.12 C ATOM 649 CG2 ILE A 44 -0.466 3.812 2.062 1.00 43.33 C ATOM 650 CD1 ILE A 44 -2.053 1.191 1.474 1.00 42.45 C ATOM 0 H ILE A 44 -4.176 3.610 3.713 1.00 23.35 H new ATOM 0 HA ILE A 44 -1.537 3.944 4.720 1.00 11.51 H new ATOM 0 HB ILE A 44 -2.604 3.927 1.846 1.00 33.33 H new ATOM 0 HG12 ILE A 44 -1.425 1.619 3.473 1.00 63.12 H new ATOM 0 HG13 ILE A 44 -3.138 1.860 3.191 1.00 63.12 H new ATOM 0 HG21 ILE A 44 -0.309 3.259 1.136 1.00 43.33 H new ATOM 0 HG22 ILE A 44 -0.340 4.878 1.874 1.00 43.33 H new ATOM 0 HG23 ILE A 44 0.261 3.487 2.806 1.00 43.33 H new ATOM 0 HD11 ILE A 44 -2.238 0.140 1.698 1.00 42.45 H new ATOM 0 HD12 ILE A 44 -2.796 1.546 0.760 1.00 42.45 H new ATOM 0 HD13 ILE A 44 -1.057 1.301 1.046 1.00 42.45 H new ATOM 662 N GLU A 45 -2.864 6.458 2.977 1.00 41.11 N ATOM 663 CA GLU A 45 -2.774 7.860 2.523 1.00 33.22 C ATOM 664 C GLU A 45 -2.664 8.868 3.694 1.00 53.32 C ATOM 665 O GLU A 45 -1.771 9.718 3.701 1.00 0.12 O ATOM 666 CB GLU A 45 -4.016 8.180 1.665 1.00 20.41 C ATOM 667 CG GLU A 45 -4.130 9.641 1.182 1.00 24.44 C ATOM 668 CD GLU A 45 -5.483 9.928 0.535 1.00 71.25 C ATOM 669 OE1 GLU A 45 -6.514 9.800 1.231 1.00 3.13 O ATOM 670 OE2 GLU A 45 -5.536 10.258 -0.665 1.00 10.13 O ATOM 0 H GLU A 45 -3.716 5.993 2.663 1.00 41.11 H new ATOM 0 HA GLU A 45 -1.860 7.965 1.939 1.00 33.22 H new ATOM 0 HB2 GLU A 45 -4.012 7.526 0.793 1.00 20.41 H new ATOM 0 HB3 GLU A 45 -4.908 7.936 2.242 1.00 20.41 H new ATOM 0 HG2 GLU A 45 -3.982 10.314 2.027 1.00 24.44 H new ATOM 0 HG3 GLU A 45 -3.335 9.849 0.466 1.00 24.44 H new ATOM 677 N GLU A 46 -3.579 8.755 4.670 1.00 71.32 N ATOM 678 CA GLU A 46 -3.653 9.678 5.828 1.00 61.33 C ATOM 679 C GLU A 46 -2.367 9.671 6.688 1.00 52.32 C ATOM 680 O GLU A 46 -1.961 10.708 7.223 1.00 35.55 O ATOM 681 CB GLU A 46 -4.877 9.323 6.698 1.00 52.50 C ATOM 682 CG GLU A 46 -4.874 7.892 7.272 1.00 61.24 C ATOM 683 CD GLU A 46 -6.121 7.562 8.096 1.00 5.24 C ATOM 684 OE1 GLU A 46 -7.239 7.649 7.548 1.00 64.11 O ATOM 685 OE2 GLU A 46 -5.997 7.215 9.288 1.00 44.01 O ATOM 0 H GLU A 46 -4.290 8.024 4.684 1.00 71.32 H new ATOM 0 HA GLU A 46 -3.757 10.687 5.429 1.00 61.33 H new ATOM 0 HB2 GLU A 46 -4.933 10.030 7.525 1.00 52.50 H new ATOM 0 HB3 GLU A 46 -5.779 9.457 6.102 1.00 52.50 H new ATOM 0 HG2 GLU A 46 -4.792 7.180 6.451 1.00 61.24 H new ATOM 0 HG3 GLU A 46 -3.990 7.761 7.897 1.00 61.24 H new ATOM 692 N CYS A 47 -1.738 8.492 6.793 1.00 23.40 N ATOM 693 CA CYS A 47 -0.494 8.300 7.560 1.00 4.14 C ATOM 694 C CYS A 47 0.711 8.984 6.871 1.00 40.12 C ATOM 695 O CYS A 47 1.480 9.711 7.512 1.00 15.00 O ATOM 696 CB CYS A 47 -0.213 6.793 7.744 1.00 15.02 C ATOM 697 SG CYS A 47 1.290 6.429 8.679 1.00 73.50 S ATOM 0 H CYS A 47 -2.077 7.640 6.347 1.00 23.40 H new ATOM 0 HA CYS A 47 -0.629 8.766 8.536 1.00 4.14 H new ATOM 0 HB2 CYS A 47 -1.063 6.336 8.251 1.00 15.02 H new ATOM 0 HB3 CYS A 47 -0.139 6.326 6.762 1.00 15.02 H new ATOM 0 HG CYS A 47 1.005 6.350 9.945 1.00 73.50 H new ATOM 703 N ILE A 48 0.837 8.768 5.552 1.00 2.44 N ATOM 704 CA ILE A 48 2.020 9.204 4.768 1.00 75.12 C ATOM 705 C ILE A 48 1.955 10.708 4.341 1.00 53.32 C ATOM 706 O ILE A 48 2.992 11.379 4.257 1.00 10.20 O ATOM 707 CB ILE A 48 2.211 8.258 3.514 1.00 25.54 C ATOM 708 CG1 ILE A 48 3.609 8.470 2.840 1.00 21.40 C ATOM 709 CG2 ILE A 48 1.064 8.428 2.476 1.00 2.31 C ATOM 710 CD1 ILE A 48 3.924 7.486 1.729 1.00 12.10 C ATOM 0 H ILE A 48 0.129 8.289 4.995 1.00 2.44 H new ATOM 0 HA ILE A 48 2.890 9.120 5.419 1.00 75.12 H new ATOM 0 HB ILE A 48 2.169 7.234 3.885 1.00 25.54 H new ATOM 0 HG12 ILE A 48 3.655 9.482 2.437 1.00 21.40 H new ATOM 0 HG13 ILE A 48 4.382 8.396 3.604 1.00 21.40 H new ATOM 0 HG21 ILE A 48 1.235 7.760 1.632 1.00 2.31 H new ATOM 0 HG22 ILE A 48 0.110 8.184 2.944 1.00 2.31 H new ATOM 0 HG23 ILE A 48 1.042 9.459 2.124 1.00 2.31 H new ATOM 0 HD11 ILE A 48 4.910 7.705 1.318 1.00 12.10 H new ATOM 0 HD12 ILE A 48 3.914 6.472 2.128 1.00 12.10 H new ATOM 0 HD13 ILE A 48 3.175 7.574 0.942 1.00 12.10 H new ATOM 722 N PHE A 49 0.726 11.237 4.115 1.00 71.23 N ATOM 723 CA PHE A 49 0.510 12.633 3.625 1.00 30.45 C ATOM 724 C PHE A 49 0.973 13.702 4.651 1.00 3.14 C ATOM 725 O PHE A 49 1.364 14.802 4.266 1.00 0.42 O ATOM 726 CB PHE A 49 -0.988 12.861 3.252 1.00 24.45 C ATOM 727 CG PHE A 49 -1.298 14.269 2.697 1.00 45.23 C ATOM 728 CD1 PHE A 49 -0.997 14.597 1.376 1.00 20.33 C ATOM 729 CD2 PHE A 49 -1.858 15.264 3.504 1.00 12.23 C ATOM 730 CE1 PHE A 49 -1.247 15.862 0.876 1.00 14.13 C ATOM 731 CE2 PHE A 49 -2.113 16.527 3.004 1.00 31.13 C ATOM 732 CZ PHE A 49 -1.804 16.827 1.691 1.00 53.44 C ATOM 0 H PHE A 49 -0.139 10.718 4.264 1.00 71.23 H new ATOM 0 HA PHE A 49 1.125 12.751 2.733 1.00 30.45 H new ATOM 0 HB2 PHE A 49 -1.283 12.118 2.511 1.00 24.45 H new ATOM 0 HB3 PHE A 49 -1.601 12.689 4.137 1.00 24.45 H new ATOM 0 HD1 PHE A 49 -0.560 13.849 0.731 1.00 20.33 H new ATOM 0 HD2 PHE A 49 -2.095 15.042 4.534 1.00 12.23 H new ATOM 0 HE1 PHE A 49 -1.007 16.095 -0.151 1.00 14.13 H new ATOM 0 HE2 PHE A 49 -2.554 17.280 3.640 1.00 31.13 H new ATOM 0 HZ PHE A 49 -1.998 17.816 1.303 1.00 53.44 H new ATOM 742 N ARG A 50 0.919 13.372 5.946 1.00 54.34 N ATOM 743 CA ARG A 50 1.309 14.307 7.035 1.00 43.52 C ATOM 744 C ARG A 50 2.786 14.763 6.901 1.00 31.53 C ATOM 745 O ARG A 50 3.103 15.943 7.075 1.00 63.00 O ATOM 746 CB ARG A 50 1.084 13.624 8.407 1.00 51.43 C ATOM 747 CG ARG A 50 -0.378 13.198 8.676 1.00 74.01 C ATOM 748 CD ARG A 50 -0.527 12.362 9.959 1.00 43.04 C ATOM 749 NE ARG A 50 0.273 11.126 9.896 1.00 74.41 N ATOM 750 CZ ARG A 50 0.372 10.229 10.848 1.00 21.51 C ATOM 751 NH1 ARG A 50 -0.235 10.364 11.981 1.00 22.31 N ATOM 752 NH2 ARG A 50 1.108 9.194 10.659 1.00 23.22 N ATOM 0 H ARG A 50 0.608 12.459 6.279 1.00 54.34 H new ATOM 0 HA ARG A 50 0.684 15.197 6.958 1.00 43.52 H new ATOM 0 HB2 ARG A 50 1.724 12.744 8.470 1.00 51.43 H new ATOM 0 HB3 ARG A 50 1.402 14.306 9.195 1.00 51.43 H new ATOM 0 HG2 ARG A 50 -1.003 14.088 8.753 1.00 74.01 H new ATOM 0 HG3 ARG A 50 -0.746 12.622 7.827 1.00 74.01 H new ATOM 0 HD2 ARG A 50 -0.215 12.955 10.819 1.00 43.04 H new ATOM 0 HD3 ARG A 50 -1.577 12.110 10.110 1.00 43.04 H new ATOM 0 HE ARG A 50 0.795 10.953 9.037 1.00 74.41 H new ATOM 0 HH11 ARG A 50 -0.812 11.187 12.156 1.00 22.31 H new ATOM 0 HH12 ARG A 50 -0.137 9.648 12.701 1.00 22.31 H new ATOM 0 HH21 ARG A 50 1.607 9.077 9.777 1.00 23.22 H new ATOM 0 HH22 ARG A 50 1.194 8.489 11.391 1.00 23.22 H new ATOM 766 N ASP A 51 3.667 13.804 6.584 1.00 54.22 N ATOM 767 CA ASP A 51 5.124 14.034 6.469 1.00 31.10 C ATOM 768 C ASP A 51 5.534 14.468 5.038 1.00 3.05 C ATOM 769 O ASP A 51 6.314 15.407 4.852 1.00 32.43 O ATOM 770 CB ASP A 51 5.873 12.733 6.849 1.00 74.04 C ATOM 771 CG ASP A 51 5.401 12.160 8.192 1.00 32.22 C ATOM 772 OD1 ASP A 51 4.367 11.449 8.218 1.00 52.55 O ATOM 773 OD2 ASP A 51 6.028 12.455 9.235 1.00 2.24 O ATOM 0 H ASP A 51 3.393 12.839 6.398 1.00 54.22 H new ATOM 0 HA ASP A 51 5.392 14.844 7.148 1.00 31.10 H new ATOM 0 HB2 ASP A 51 5.724 11.989 6.067 1.00 74.04 H new ATOM 0 HB3 ASP A 51 6.943 12.934 6.898 1.00 74.04 H new ATOM 778 N VAL A 52 4.995 13.754 4.035 1.00 53.21 N ATOM 779 CA VAL A 52 5.435 13.844 2.610 1.00 45.24 C ATOM 780 C VAL A 52 4.563 14.825 1.766 1.00 61.13 C ATOM 781 O VAL A 52 4.961 15.242 0.667 1.00 2.12 O ATOM 782 CB VAL A 52 5.413 12.398 1.964 1.00 25.24 C ATOM 783 CG1 VAL A 52 6.075 12.361 0.569 1.00 25.03 C ATOM 784 CG2 VAL A 52 6.079 11.368 2.900 1.00 44.12 C ATOM 0 H VAL A 52 4.235 13.089 4.180 1.00 53.21 H new ATOM 0 HA VAL A 52 6.448 14.246 2.604 1.00 45.24 H new ATOM 0 HB VAL A 52 4.364 12.132 1.830 1.00 25.24 H new ATOM 0 HG11 VAL A 52 6.032 11.346 0.173 1.00 25.03 H new ATOM 0 HG12 VAL A 52 5.545 13.036 -0.103 1.00 25.03 H new ATOM 0 HG13 VAL A 52 7.116 12.675 0.652 1.00 25.03 H new ATOM 0 HG21 VAL A 52 6.052 10.383 2.435 1.00 44.12 H new ATOM 0 HG22 VAL A 52 7.115 11.656 3.080 1.00 44.12 H new ATOM 0 HG23 VAL A 52 5.542 11.337 3.848 1.00 44.12 H new ATOM 794 N GLY A 53 3.407 15.229 2.322 1.00 72.12 N ATOM 795 CA GLY A 53 2.365 15.978 1.585 1.00 50.11 C ATOM 796 C GLY A 53 2.691 17.433 1.201 1.00 1.43 C ATOM 797 O GLY A 53 1.790 18.169 0.786 1.00 42.31 O ATOM 0 H GLY A 53 3.165 15.047 3.296 1.00 72.12 H new ATOM 0 HA2 GLY A 53 2.136 15.430 0.671 1.00 50.11 H new ATOM 0 HA3 GLY A 53 1.459 15.982 2.190 1.00 50.11 H new ATOM 801 N ASN A 54 3.959 17.849 1.351 1.00 34.02 N ATOM 802 CA ASN A 54 4.484 19.108 0.762 1.00 73.42 C ATOM 803 C ASN A 54 4.486 19.054 -0.798 1.00 43.51 C ATOM 804 O ASN A 54 4.530 20.089 -1.460 1.00 41.24 O ATOM 805 CB ASN A 54 5.905 19.391 1.309 1.00 32.52 C ATOM 806 CG ASN A 54 6.880 18.227 1.098 1.00 71.45 C ATOM 807 OD1 ASN A 54 7.558 18.135 0.077 1.00 41.34 O ATOM 808 ND2 ASN A 54 6.949 17.314 2.053 1.00 22.14 N ATOM 0 H ASN A 54 4.655 17.327 1.883 1.00 34.02 H new ATOM 0 HA ASN A 54 3.824 19.925 1.054 1.00 73.42 H new ATOM 0 HB2 ASN A 54 6.303 20.282 0.823 1.00 32.52 H new ATOM 0 HB3 ASN A 54 5.839 19.612 2.374 1.00 32.52 H new ATOM 0 HD21 ASN A 54 7.574 16.514 1.950 1.00 22.14 H new ATOM 0 HD22 ASN A 54 6.377 17.410 2.892 1.00 22.14 H new ATOM 815 N THR A 55 4.465 17.813 -1.341 1.00 12.20 N ATOM 816 CA THR A 55 4.293 17.474 -2.790 1.00 33.41 C ATOM 817 C THR A 55 5.454 17.933 -3.708 1.00 33.24 C ATOM 818 O THR A 55 5.333 17.848 -4.933 1.00 34.24 O ATOM 819 CB THR A 55 2.903 17.929 -3.404 1.00 32.13 C ATOM 820 OG1 THR A 55 2.820 19.361 -3.518 1.00 31.34 O ATOM 821 CG2 THR A 55 1.705 17.414 -2.579 1.00 71.42 C ATOM 0 H THR A 55 4.571 16.979 -0.763 1.00 12.20 H new ATOM 0 HA THR A 55 4.310 16.384 -2.774 1.00 33.41 H new ATOM 0 HB THR A 55 2.853 17.487 -4.399 1.00 32.13 H new ATOM 0 HG1 THR A 55 3.423 19.777 -2.867 1.00 31.34 H new ATOM 0 HG21 THR A 55 0.775 17.751 -3.038 1.00 71.42 H new ATOM 0 HG22 THR A 55 1.723 16.324 -2.553 1.00 71.42 H new ATOM 0 HG23 THR A 55 1.769 17.803 -1.563 1.00 71.42 H new ATOM 829 N ASP A 56 6.592 18.352 -3.123 1.00 4.04 N ATOM 830 CA ASP A 56 7.791 18.772 -3.893 1.00 41.34 C ATOM 831 C ASP A 56 8.536 17.551 -4.511 1.00 12.21 C ATOM 832 O ASP A 56 9.540 17.092 -3.957 1.00 21.31 O ATOM 833 CB ASP A 56 8.744 19.588 -2.978 1.00 34.24 C ATOM 834 CG ASP A 56 8.113 20.892 -2.476 1.00 62.12 C ATOM 835 OD1 ASP A 56 8.153 21.905 -3.211 1.00 51.21 O ATOM 836 OD2 ASP A 56 7.568 20.922 -1.353 1.00 55.42 O ATOM 0 H ASP A 56 6.712 18.411 -2.112 1.00 4.04 H new ATOM 0 HA ASP A 56 7.460 19.401 -4.720 1.00 41.34 H new ATOM 0 HB2 ASP A 56 9.032 18.976 -2.123 1.00 34.24 H new ATOM 0 HB3 ASP A 56 9.657 19.819 -3.526 1.00 34.24 H new ATOM 841 N MET A 57 7.994 17.027 -5.648 1.00 61.45 N ATOM 842 CA MET A 57 8.532 15.863 -6.426 1.00 34.41 C ATOM 843 C MET A 57 8.366 14.494 -5.698 1.00 12.41 C ATOM 844 O MET A 57 7.692 13.586 -6.219 1.00 41.40 O ATOM 845 CB MET A 57 10.009 16.088 -6.868 1.00 43.32 C ATOM 846 CG MET A 57 10.595 14.960 -7.736 1.00 73.33 C ATOM 847 SD MET A 57 9.614 14.641 -9.225 1.00 42.35 S ATOM 848 CE MET A 57 10.548 13.321 -10.013 1.00 51.14 C ATOM 0 H MET A 57 7.146 17.412 -6.064 1.00 61.45 H new ATOM 0 HA MET A 57 7.915 15.809 -7.323 1.00 34.41 H new ATOM 0 HB2 MET A 57 10.070 17.025 -7.422 1.00 43.32 H new ATOM 0 HB3 MET A 57 10.628 16.203 -5.978 1.00 43.32 H new ATOM 0 HG2 MET A 57 11.613 15.222 -8.026 1.00 73.33 H new ATOM 0 HG3 MET A 57 10.657 14.047 -7.144 1.00 73.33 H new ATOM 0 HE1 MET A 57 10.054 13.029 -10.940 1.00 51.14 H new ATOM 0 HE2 MET A 57 11.557 13.670 -10.233 1.00 51.14 H new ATOM 0 HE3 MET A 57 10.600 12.462 -9.344 1.00 51.14 H new ATOM 858 N LYS A 58 8.975 14.377 -4.493 1.00 2.33 N ATOM 859 CA LYS A 58 9.053 13.128 -3.699 1.00 25.13 C ATOM 860 C LYS A 58 7.684 12.430 -3.515 1.00 43.53 C ATOM 861 O LYS A 58 7.591 11.222 -3.670 1.00 31.42 O ATOM 862 CB LYS A 58 9.645 13.427 -2.295 1.00 41.05 C ATOM 863 CG LYS A 58 9.911 12.163 -1.417 1.00 52.21 C ATOM 864 CD LYS A 58 9.707 12.399 0.099 1.00 74.03 C ATOM 865 CE LYS A 58 10.599 13.497 0.681 1.00 34.23 C ATOM 866 NZ LYS A 58 12.045 13.172 0.566 1.00 52.04 N ATOM 0 H LYS A 58 9.435 15.165 -4.037 1.00 2.33 H new ATOM 0 HA LYS A 58 9.696 12.452 -4.263 1.00 25.13 H new ATOM 0 HB2 LYS A 58 10.582 13.971 -2.419 1.00 41.05 H new ATOM 0 HB3 LYS A 58 8.962 14.087 -1.760 1.00 41.05 H new ATOM 0 HG2 LYS A 58 9.249 11.361 -1.742 1.00 52.21 H new ATOM 0 HG3 LYS A 58 10.932 11.822 -1.588 1.00 52.21 H new ATOM 0 HD2 LYS A 58 8.664 12.658 0.279 1.00 74.03 H new ATOM 0 HD3 LYS A 58 9.900 11.467 0.631 1.00 74.03 H new ATOM 0 HE2 LYS A 58 10.398 14.436 0.165 1.00 34.23 H new ATOM 0 HE3 LYS A 58 10.346 13.649 1.730 1.00 34.23 H new ATOM 0 HZ1 LYS A 58 12.608 13.938 0.989 1.00 52.04 H new ATOM 0 HZ2 LYS A 58 12.241 12.281 1.066 1.00 52.04 H new ATOM 0 HZ3 LYS A 58 12.299 13.070 -0.437 1.00 52.04 H new ATOM 880 N TYR A 59 6.638 13.217 -3.192 1.00 0.13 N ATOM 881 CA TYR A 59 5.283 12.682 -2.891 1.00 12.23 C ATOM 882 C TYR A 59 4.690 11.864 -4.058 1.00 4.40 C ATOM 883 O TYR A 59 4.226 10.743 -3.844 1.00 4.13 O ATOM 884 CB TYR A 59 4.343 13.845 -2.488 1.00 52.12 C ATOM 885 CG TYR A 59 2.903 13.433 -2.115 1.00 41.01 C ATOM 886 CD1 TYR A 59 2.630 12.754 -0.920 1.00 22.10 C ATOM 887 CD2 TYR A 59 1.818 13.734 -2.947 1.00 70.21 C ATOM 888 CE1 TYR A 59 1.342 12.385 -0.579 1.00 35.34 C ATOM 889 CE2 TYR A 59 0.531 13.368 -2.607 1.00 2.14 C ATOM 890 CZ TYR A 59 0.296 12.702 -1.422 1.00 15.32 C ATOM 891 OH TYR A 59 -0.993 12.342 -1.084 1.00 1.25 O ATOM 0 H TYR A 59 6.701 14.233 -3.131 1.00 0.13 H new ATOM 0 HA TYR A 59 5.379 11.988 -2.056 1.00 12.23 H new ATOM 0 HB2 TYR A 59 4.784 14.369 -1.640 1.00 52.12 H new ATOM 0 HB3 TYR A 59 4.297 14.556 -3.313 1.00 52.12 H new ATOM 0 HD1 TYR A 59 3.443 12.514 -0.251 1.00 22.10 H new ATOM 0 HD2 TYR A 59 1.991 14.263 -3.873 1.00 70.21 H new ATOM 0 HE1 TYR A 59 1.155 11.852 0.342 1.00 35.34 H new ATOM 0 HE2 TYR A 59 -0.290 13.603 -3.268 1.00 2.14 H new ATOM 0 HH TYR A 59 -1.026 12.094 -0.136 1.00 1.25 H new ATOM 901 N LYS A 60 4.733 12.418 -5.289 1.00 71.54 N ATOM 902 CA LYS A 60 4.218 11.713 -6.486 1.00 21.24 C ATOM 903 C LYS A 60 5.039 10.432 -6.769 1.00 73.23 C ATOM 904 O LYS A 60 4.466 9.354 -6.923 1.00 71.01 O ATOM 905 CB LYS A 60 4.207 12.618 -7.751 1.00 2.14 C ATOM 906 CG LYS A 60 3.217 13.820 -7.723 1.00 54.31 C ATOM 907 CD LYS A 60 3.822 15.133 -7.166 1.00 43.24 C ATOM 908 CE LYS A 60 2.906 16.351 -7.428 1.00 24.00 C ATOM 909 NZ LYS A 60 3.553 17.635 -7.063 1.00 3.21 N ATOM 0 H LYS A 60 5.116 13.344 -5.481 1.00 71.54 H new ATOM 0 HA LYS A 60 3.186 11.441 -6.263 1.00 21.24 H new ATOM 0 HB2 LYS A 60 5.214 13.006 -7.904 1.00 2.14 H new ATOM 0 HB3 LYS A 60 3.969 11.998 -8.615 1.00 2.14 H new ATOM 0 HG2 LYS A 60 2.856 14.001 -8.735 1.00 54.31 H new ATOM 0 HG3 LYS A 60 2.351 13.548 -7.119 1.00 54.31 H new ATOM 0 HD2 LYS A 60 3.989 15.029 -6.094 1.00 43.24 H new ATOM 0 HD3 LYS A 60 4.796 15.306 -7.625 1.00 43.24 H new ATOM 0 HE2 LYS A 60 2.629 16.374 -8.482 1.00 24.00 H new ATOM 0 HE3 LYS A 60 1.984 16.237 -6.858 1.00 24.00 H new ATOM 0 HZ1 LYS A 60 2.833 18.301 -6.717 1.00 3.21 H new ATOM 0 HZ2 LYS A 60 4.258 17.469 -6.316 1.00 3.21 H new ATOM 0 HZ3 LYS A 60 4.023 18.037 -7.899 1.00 3.21 H new ATOM 923 N ASN A 61 6.386 10.569 -6.794 1.00 73.32 N ATOM 924 CA ASN A 61 7.322 9.442 -7.071 1.00 22.30 C ATOM 925 C ASN A 61 7.179 8.295 -6.026 1.00 45.23 C ATOM 926 O ASN A 61 7.257 7.113 -6.376 1.00 34.43 O ATOM 927 CB ASN A 61 8.783 9.973 -7.108 1.00 43.13 C ATOM 928 CG ASN A 61 9.819 8.895 -7.463 1.00 14.52 C ATOM 929 OD1 ASN A 61 10.150 8.684 -8.627 1.00 24.40 O ATOM 930 ND2 ASN A 61 10.327 8.196 -6.463 1.00 43.31 N ATOM 0 H ASN A 61 6.857 11.458 -6.624 1.00 73.32 H new ATOM 0 HA ASN A 61 7.065 9.020 -8.043 1.00 22.30 H new ATOM 0 HB2 ASN A 61 8.849 10.782 -7.835 1.00 43.13 H new ATOM 0 HB3 ASN A 61 9.031 10.398 -6.135 1.00 43.13 H new ATOM 0 HD21 ASN A 61 11.010 7.462 -6.649 1.00 43.31 H new ATOM 0 HD22 ASN A 61 10.036 8.391 -5.505 1.00 43.31 H new ATOM 937 N ARG A 62 6.956 8.680 -4.757 1.00 44.41 N ATOM 938 CA ARG A 62 6.755 7.743 -3.627 1.00 2.44 C ATOM 939 C ARG A 62 5.468 6.907 -3.810 1.00 14.53 C ATOM 940 O ARG A 62 5.495 5.690 -3.620 1.00 32.31 O ATOM 941 CB ARG A 62 6.725 8.532 -2.277 1.00 30.31 C ATOM 942 CG ARG A 62 6.230 7.743 -1.036 1.00 40.43 C ATOM 943 CD ARG A 62 7.071 6.495 -0.696 1.00 34.34 C ATOM 944 NE ARG A 62 8.412 6.818 -0.188 1.00 31.43 N ATOM 945 CZ ARG A 62 9.185 5.992 0.483 1.00 1.44 C ATOM 946 NH1 ARG A 62 8.828 4.771 0.715 1.00 73.53 N ATOM 947 NH2 ARG A 62 10.330 6.393 0.909 1.00 32.41 N ATOM 0 H ARG A 62 6.909 9.660 -4.480 1.00 44.41 H new ATOM 0 HA ARG A 62 7.593 7.046 -3.606 1.00 2.44 H new ATOM 0 HB2 ARG A 62 7.731 8.899 -2.072 1.00 30.31 H new ATOM 0 HB3 ARG A 62 6.087 9.406 -2.405 1.00 30.31 H new ATOM 0 HG2 ARG A 62 6.227 8.410 -0.174 1.00 40.43 H new ATOM 0 HG3 ARG A 62 5.198 7.436 -1.204 1.00 40.43 H new ATOM 0 HD2 ARG A 62 6.542 5.900 0.049 1.00 34.34 H new ATOM 0 HD3 ARG A 62 7.167 5.876 -1.588 1.00 34.34 H new ATOM 0 HE ARG A 62 8.771 7.755 -0.370 1.00 31.43 H new ATOM 0 HH11 ARG A 62 7.929 4.429 0.375 1.00 73.53 H new ATOM 0 HH12 ARG A 62 9.445 4.150 1.238 1.00 73.53 H new ATOM 0 HH21 ARG A 62 10.636 7.349 0.726 1.00 32.41 H new ATOM 0 HH22 ARG A 62 10.932 5.755 1.430 1.00 32.41 H new ATOM 961 N VAL A 63 4.352 7.572 -4.162 1.00 21.02 N ATOM 962 CA VAL A 63 3.057 6.889 -4.405 1.00 24.42 C ATOM 963 C VAL A 63 3.157 5.925 -5.625 1.00 42.01 C ATOM 964 O VAL A 63 2.620 4.815 -5.583 1.00 15.54 O ATOM 965 CB VAL A 63 1.881 7.925 -4.589 1.00 23.22 C ATOM 966 CG1 VAL A 63 0.530 7.219 -4.878 1.00 55.31 C ATOM 967 CG2 VAL A 63 1.755 8.845 -3.344 1.00 53.14 C ATOM 0 H VAL A 63 4.316 8.584 -4.286 1.00 21.02 H new ATOM 0 HA VAL A 63 2.827 6.292 -3.523 1.00 24.42 H new ATOM 0 HB VAL A 63 2.126 8.540 -5.455 1.00 23.22 H new ATOM 0 HG11 VAL A 63 -0.253 7.967 -4.998 1.00 55.31 H new ATOM 0 HG12 VAL A 63 0.614 6.632 -5.793 1.00 55.31 H new ATOM 0 HG13 VAL A 63 0.278 6.561 -4.047 1.00 55.31 H new ATOM 0 HG21 VAL A 63 0.938 9.551 -3.494 1.00 53.14 H new ATOM 0 HG22 VAL A 63 1.552 8.238 -2.462 1.00 53.14 H new ATOM 0 HG23 VAL A 63 2.686 9.393 -3.201 1.00 53.14 H new ATOM 977 N ARG A 64 3.889 6.351 -6.681 1.00 55.44 N ATOM 978 CA ARG A 64 4.210 5.493 -7.858 1.00 60.21 C ATOM 979 C ARG A 64 4.998 4.220 -7.426 1.00 62.21 C ATOM 980 O ARG A 64 4.716 3.106 -7.889 1.00 23.34 O ATOM 981 CB ARG A 64 5.041 6.297 -8.904 1.00 35.14 C ATOM 982 CG ARG A 64 4.324 7.537 -9.490 1.00 54.15 C ATOM 983 CD ARG A 64 5.239 8.393 -10.391 1.00 71.22 C ATOM 984 NE ARG A 64 4.539 9.590 -10.904 1.00 63.35 N ATOM 985 CZ ARG A 64 4.217 9.817 -12.165 1.00 70.11 C ATOM 986 NH1 ARG A 64 4.539 8.988 -13.102 1.00 11.55 N ATOM 987 NH2 ARG A 64 3.584 10.890 -12.482 1.00 74.44 N ATOM 0 H ARG A 64 4.274 7.293 -6.746 1.00 55.44 H new ATOM 0 HA ARG A 64 3.269 5.180 -8.310 1.00 60.21 H new ATOM 0 HB2 ARG A 64 5.971 6.620 -8.437 1.00 35.14 H new ATOM 0 HB3 ARG A 64 5.310 5.630 -9.723 1.00 35.14 H new ATOM 0 HG2 ARG A 64 3.458 7.211 -10.066 1.00 54.15 H new ATOM 0 HG3 ARG A 64 3.949 8.153 -8.673 1.00 54.15 H new ATOM 0 HD2 ARG A 64 6.120 8.701 -9.827 1.00 71.22 H new ATOM 0 HD3 ARG A 64 5.591 7.791 -11.229 1.00 71.22 H new ATOM 0 HE ARG A 64 4.282 10.305 -10.223 1.00 63.35 H new ATOM 0 HH11 ARG A 64 5.053 8.137 -12.875 1.00 11.55 H new ATOM 0 HH12 ARG A 64 4.279 9.185 -14.069 1.00 11.55 H new ATOM 0 HH21 ARG A 64 3.331 11.565 -11.760 1.00 74.44 H new ATOM 0 HH22 ARG A 64 3.335 11.066 -13.455 1.00 74.44 H new ATOM 1001 N SER A 65 5.973 4.413 -6.520 1.00 12.20 N ATOM 1002 CA SER A 65 6.793 3.313 -5.959 1.00 15.10 C ATOM 1003 C SER A 65 5.950 2.362 -5.069 1.00 21.12 C ATOM 1004 O SER A 65 6.175 1.149 -5.089 1.00 61.24 O ATOM 1005 CB SER A 65 7.978 3.890 -5.151 1.00 34.34 C ATOM 1006 OG SER A 65 8.849 4.669 -5.965 1.00 40.40 O ATOM 0 H SER A 65 6.218 5.333 -6.154 1.00 12.20 H new ATOM 0 HA SER A 65 7.177 2.728 -6.795 1.00 15.10 H new ATOM 0 HB2 SER A 65 7.596 4.505 -4.336 1.00 34.34 H new ATOM 0 HB3 SER A 65 8.539 3.073 -4.697 1.00 34.34 H new ATOM 0 HG SER A 65 8.428 5.532 -6.162 1.00 40.40 H new ATOM 1012 N ARG A 66 4.972 2.929 -4.311 1.00 74.32 N ATOM 1013 CA ARG A 66 4.025 2.146 -3.472 1.00 72.43 C ATOM 1014 C ARG A 66 3.222 1.156 -4.345 1.00 22.51 C ATOM 1015 O ARG A 66 3.226 -0.043 -4.085 1.00 51.31 O ATOM 1016 CB ARG A 66 3.050 3.087 -2.687 1.00 51.12 C ATOM 1017 CG ARG A 66 3.686 3.926 -1.549 1.00 64.22 C ATOM 1018 CD ARG A 66 4.228 3.059 -0.395 1.00 44.43 C ATOM 1019 NE ARG A 66 4.759 3.881 0.720 1.00 2.20 N ATOM 1020 CZ ARG A 66 5.854 3.626 1.406 1.00 4.32 C ATOM 1021 NH1 ARG A 66 6.592 2.616 1.123 1.00 74.11 N ATOM 1022 NH2 ARG A 66 6.211 4.398 2.379 1.00 12.23 N ATOM 0 H ARG A 66 4.819 3.936 -4.265 1.00 74.32 H new ATOM 0 HA ARG A 66 4.611 1.583 -2.745 1.00 72.43 H new ATOM 0 HB2 ARG A 66 2.584 3.769 -3.398 1.00 51.12 H new ATOM 0 HB3 ARG A 66 2.253 2.478 -2.261 1.00 51.12 H new ATOM 0 HG2 ARG A 66 4.498 4.527 -1.958 1.00 64.22 H new ATOM 0 HG3 ARG A 66 2.942 4.620 -1.157 1.00 64.22 H new ATOM 0 HD2 ARG A 66 3.432 2.414 -0.022 1.00 44.43 H new ATOM 0 HD3 ARG A 66 5.016 2.407 -0.771 1.00 44.43 H new ATOM 0 HE ARG A 66 4.231 4.715 0.977 1.00 2.20 H new ATOM 0 HH11 ARG A 66 6.334 1.995 0.356 1.00 74.11 H new ATOM 0 HH12 ARG A 66 7.437 2.434 1.665 1.00 74.11 H new ATOM 0 HH21 ARG A 66 5.644 5.211 2.620 1.00 12.23 H new ATOM 0 HH22 ARG A 66 7.060 4.195 2.906 1.00 12.23 H new ATOM 1036 N ILE A 67 2.582 1.687 -5.405 1.00 13.12 N ATOM 1037 CA ILE A 67 1.793 0.888 -6.386 1.00 14.33 C ATOM 1038 C ILE A 67 2.642 -0.236 -7.025 1.00 63.41 C ATOM 1039 O ILE A 67 2.171 -1.372 -7.182 1.00 1.53 O ATOM 1040 CB ILE A 67 1.252 1.810 -7.537 1.00 64.11 C ATOM 1041 CG1 ILE A 67 0.398 2.978 -6.971 1.00 44.52 C ATOM 1042 CG2 ILE A 67 0.448 1.010 -8.600 1.00 33.44 C ATOM 1043 CD1 ILE A 67 0.041 4.020 -8.004 1.00 15.33 C ATOM 0 H ILE A 67 2.593 2.686 -5.613 1.00 13.12 H new ATOM 0 HA ILE A 67 0.965 0.441 -5.835 1.00 14.33 H new ATOM 0 HB ILE A 67 2.124 2.232 -8.036 1.00 64.11 H new ATOM 0 HG12 ILE A 67 -0.519 2.573 -6.543 1.00 44.52 H new ATOM 0 HG13 ILE A 67 0.944 3.456 -6.158 1.00 44.52 H new ATOM 0 HG21 ILE A 67 0.094 1.689 -9.376 1.00 33.44 H new ATOM 0 HG22 ILE A 67 1.091 0.252 -9.047 1.00 33.44 H new ATOM 0 HG23 ILE A 67 -0.405 0.527 -8.123 1.00 33.44 H new ATOM 0 HD11 ILE A 67 -0.555 4.805 -7.538 1.00 15.33 H new ATOM 0 HD12 ILE A 67 0.953 4.453 -8.415 1.00 15.33 H new ATOM 0 HD13 ILE A 67 -0.533 3.556 -8.806 1.00 15.33 H new ATOM 1055 N SER A 68 3.897 0.113 -7.374 1.00 12.41 N ATOM 1056 CA SER A 68 4.840 -0.791 -8.065 1.00 61.04 C ATOM 1057 C SER A 68 5.043 -2.117 -7.299 1.00 43.15 C ATOM 1058 O SER A 68 4.854 -3.185 -7.878 1.00 70.42 O ATOM 1059 CB SER A 68 6.200 -0.087 -8.288 1.00 55.22 C ATOM 1060 OG SER A 68 7.119 -0.918 -8.986 1.00 2.14 O ATOM 0 H SER A 68 4.287 1.036 -7.183 1.00 12.41 H new ATOM 0 HA SER A 68 4.401 -1.037 -9.032 1.00 61.04 H new ATOM 0 HB2 SER A 68 6.044 0.834 -8.850 1.00 55.22 H new ATOM 0 HB3 SER A 68 6.625 0.195 -7.325 1.00 55.22 H new ATOM 0 HG SER A 68 7.965 -0.439 -9.109 1.00 2.14 H new ATOM 1066 N ASN A 69 5.365 -2.030 -5.985 1.00 42.10 N ATOM 1067 CA ASN A 69 5.584 -3.233 -5.132 1.00 74.24 C ATOM 1068 C ASN A 69 4.264 -3.990 -4.825 1.00 32.33 C ATOM 1069 O ASN A 69 4.295 -5.200 -4.576 1.00 4.11 O ATOM 1070 CB ASN A 69 6.315 -2.868 -3.811 1.00 22.05 C ATOM 1071 CG ASN A 69 5.591 -1.825 -2.956 1.00 43.40 C ATOM 1072 OD1 ASN A 69 5.868 -0.642 -3.040 1.00 12.23 O ATOM 1073 ND2 ASN A 69 4.640 -2.247 -2.149 1.00 3.51 N ATOM 0 H ASN A 69 5.479 -1.145 -5.491 1.00 42.10 H new ATOM 0 HA ASN A 69 6.221 -3.904 -5.708 1.00 74.24 H new ATOM 0 HB2 ASN A 69 6.448 -3.775 -3.221 1.00 22.05 H new ATOM 0 HB3 ASN A 69 7.311 -2.495 -4.052 1.00 22.05 H new ATOM 0 HD21 ASN A 69 4.120 -1.579 -1.580 1.00 3.51 H new ATOM 0 HD22 ASN A 69 4.423 -3.242 -2.093 1.00 3.51 H new ATOM 1080 N LEU A 70 3.115 -3.269 -4.837 1.00 72.24 N ATOM 1081 CA LEU A 70 1.774 -3.881 -4.623 1.00 63.12 C ATOM 1082 C LEU A 70 1.422 -4.898 -5.733 1.00 42.52 C ATOM 1083 O LEU A 70 0.845 -5.955 -5.459 1.00 5.43 O ATOM 1084 CB LEU A 70 0.663 -2.789 -4.539 1.00 34.13 C ATOM 1085 CG LEU A 70 0.776 -1.789 -3.342 1.00 2.00 C ATOM 1086 CD1 LEU A 70 -0.346 -0.720 -3.360 1.00 65.30 C ATOM 1087 CD2 LEU A 70 0.807 -2.537 -2.002 1.00 33.14 C ATOM 0 H LEU A 70 3.088 -2.261 -4.993 1.00 72.24 H new ATOM 0 HA LEU A 70 1.820 -4.414 -3.673 1.00 63.12 H new ATOM 0 HB2 LEU A 70 0.672 -2.217 -5.467 1.00 34.13 H new ATOM 0 HB3 LEU A 70 -0.305 -3.287 -4.481 1.00 34.13 H new ATOM 0 HG LEU A 70 1.720 -1.257 -3.459 1.00 2.00 H new ATOM 0 HD11 LEU A 70 -0.224 -0.050 -2.509 1.00 65.30 H new ATOM 0 HD12 LEU A 70 -0.287 -0.146 -4.285 1.00 65.30 H new ATOM 0 HD13 LEU A 70 -1.317 -1.211 -3.299 1.00 65.30 H new ATOM 0 HD21 LEU A 70 0.886 -1.819 -1.186 1.00 33.14 H new ATOM 0 HD22 LEU A 70 -0.109 -3.117 -1.888 1.00 33.14 H new ATOM 0 HD23 LEU A 70 1.666 -3.208 -1.979 1.00 33.14 H new ATOM 1099 N LYS A 71 1.790 -4.562 -6.977 1.00 50.42 N ATOM 1100 CA LYS A 71 1.500 -5.396 -8.171 1.00 74.45 C ATOM 1101 C LYS A 71 2.743 -6.185 -8.668 1.00 24.22 C ATOM 1102 O LYS A 71 2.662 -6.891 -9.680 1.00 31.10 O ATOM 1103 CB LYS A 71 0.940 -4.498 -9.309 1.00 42.01 C ATOM 1104 CG LYS A 71 1.900 -3.382 -9.793 1.00 75.32 C ATOM 1105 CD LYS A 71 1.355 -2.594 -11.008 1.00 41.15 C ATOM 1106 CE LYS A 71 -0.021 -1.949 -10.751 1.00 62.23 C ATOM 1107 NZ LYS A 71 -0.491 -1.163 -11.920 1.00 63.41 N ATOM 0 H LYS A 71 2.298 -3.705 -7.193 1.00 50.42 H new ATOM 0 HA LYS A 71 0.755 -6.137 -7.880 1.00 74.45 H new ATOM 0 HB2 LYS A 71 0.685 -5.131 -10.159 1.00 42.01 H new ATOM 0 HB3 LYS A 71 0.014 -4.037 -8.965 1.00 42.01 H new ATOM 0 HG2 LYS A 71 2.085 -2.689 -8.972 1.00 75.32 H new ATOM 0 HG3 LYS A 71 2.860 -3.826 -10.057 1.00 75.32 H new ATOM 0 HD2 LYS A 71 2.069 -1.815 -11.277 1.00 41.15 H new ATOM 0 HD3 LYS A 71 1.279 -3.266 -11.863 1.00 41.15 H new ATOM 0 HE2 LYS A 71 -0.749 -2.727 -10.520 1.00 62.23 H new ATOM 0 HE3 LYS A 71 0.040 -1.300 -9.878 1.00 62.23 H new ATOM 0 HZ1 LYS A 71 -1.419 -0.746 -11.707 1.00 63.41 H new ATOM 0 HZ2 LYS A 71 0.191 -0.405 -12.125 1.00 63.41 H new ATOM 0 HZ3 LYS A 71 -0.574 -1.787 -12.748 1.00 63.41 H new ATOM 1121 N ASP A 72 3.878 -6.088 -7.944 1.00 30.35 N ATOM 1122 CA ASP A 72 5.157 -6.708 -8.380 1.00 3.45 C ATOM 1123 C ASP A 72 5.223 -8.222 -8.014 1.00 44.20 C ATOM 1124 O ASP A 72 4.713 -8.649 -6.971 1.00 52.32 O ATOM 1125 CB ASP A 72 6.355 -5.944 -7.758 1.00 45.21 C ATOM 1126 CG ASP A 72 7.635 -6.055 -8.597 1.00 52.41 C ATOM 1127 OD1 ASP A 72 8.296 -7.106 -8.550 1.00 74.41 O ATOM 1128 OD2 ASP A 72 7.979 -5.090 -9.315 1.00 65.12 O ATOM 0 H ASP A 72 3.940 -5.589 -7.057 1.00 30.35 H new ATOM 0 HA ASP A 72 5.210 -6.636 -9.466 1.00 3.45 H new ATOM 0 HB2 ASP A 72 6.090 -4.893 -7.646 1.00 45.21 H new ATOM 0 HB3 ASP A 72 6.547 -6.333 -6.758 1.00 45.21 H new ATOM 1133 N ALA A 73 5.901 -9.009 -8.875 1.00 54.25 N ATOM 1134 CA ALA A 73 6.006 -10.484 -8.743 1.00 4.33 C ATOM 1135 C ALA A 73 7.099 -10.925 -7.729 1.00 62.31 C ATOM 1136 O ALA A 73 7.091 -12.072 -7.264 1.00 44.02 O ATOM 1137 CB ALA A 73 6.273 -11.102 -10.125 1.00 4.44 C ATOM 0 H ALA A 73 6.395 -8.640 -9.688 1.00 54.25 H new ATOM 0 HA ALA A 73 5.057 -10.846 -8.348 1.00 4.33 H new ATOM 0 HB1 ALA A 73 6.350 -12.185 -10.030 1.00 4.44 H new ATOM 0 HB2 ALA A 73 5.453 -10.854 -10.799 1.00 4.44 H new ATOM 0 HB3 ALA A 73 7.205 -10.705 -10.527 1.00 4.44 H new ATOM 1143 N LYS A 74 8.038 -10.013 -7.406 1.00 50.41 N ATOM 1144 CA LYS A 74 9.134 -10.277 -6.437 1.00 51.10 C ATOM 1145 C LYS A 74 8.603 -10.380 -4.983 1.00 3.21 C ATOM 1146 O LYS A 74 9.101 -11.184 -4.179 1.00 43.23 O ATOM 1147 CB LYS A 74 10.196 -9.169 -6.533 1.00 73.43 C ATOM 1148 CG LYS A 74 10.853 -9.050 -7.926 1.00 33.44 C ATOM 1149 CD LYS A 74 11.734 -7.798 -8.036 1.00 42.24 C ATOM 1150 CE LYS A 74 12.220 -7.533 -9.468 1.00 34.04 C ATOM 1151 NZ LYS A 74 12.920 -6.227 -9.582 1.00 54.12 N ATOM 0 H LYS A 74 8.063 -9.075 -7.805 1.00 50.41 H new ATOM 0 HA LYS A 74 9.583 -11.236 -6.694 1.00 51.10 H new ATOM 0 HB2 LYS A 74 9.736 -8.215 -6.277 1.00 73.43 H new ATOM 0 HB3 LYS A 74 10.972 -9.358 -5.791 1.00 73.43 H new ATOM 0 HG2 LYS A 74 11.456 -9.937 -8.120 1.00 33.44 H new ATOM 0 HG3 LYS A 74 10.078 -9.017 -8.692 1.00 33.44 H new ATOM 0 HD2 LYS A 74 11.173 -6.933 -7.682 1.00 42.24 H new ATOM 0 HD3 LYS A 74 12.597 -7.908 -7.379 1.00 42.24 H new ATOM 0 HE2 LYS A 74 12.892 -8.333 -9.777 1.00 34.04 H new ATOM 0 HE3 LYS A 74 11.369 -7.550 -10.149 1.00 34.04 H new ATOM 0 HZ1 LYS A 74 13.233 -6.085 -10.564 1.00 54.12 H new ATOM 0 HZ2 LYS A 74 12.271 -5.461 -9.311 1.00 54.12 H new ATOM 0 HZ3 LYS A 74 13.747 -6.220 -8.951 1.00 54.12 H new ATOM 1165 N ASN A 75 7.576 -9.562 -4.665 1.00 40.54 N ATOM 1166 CA ASN A 75 6.949 -9.520 -3.319 1.00 32.22 C ATOM 1167 C ASN A 75 5.383 -9.436 -3.389 1.00 10.40 C ATOM 1168 O ASN A 75 4.791 -8.412 -3.043 1.00 64.12 O ATOM 1169 CB ASN A 75 7.561 -8.351 -2.473 1.00 41.20 C ATOM 1170 CG ASN A 75 7.446 -6.959 -3.127 1.00 72.22 C ATOM 1171 OD1 ASN A 75 7.403 -6.814 -4.341 1.00 34.21 O ATOM 1172 ND2 ASN A 75 7.404 -5.922 -2.318 1.00 63.25 N ATOM 0 H ASN A 75 7.157 -8.912 -5.330 1.00 40.54 H new ATOM 0 HA ASN A 75 7.175 -10.461 -2.817 1.00 32.22 H new ATOM 0 HB2 ASN A 75 7.066 -8.324 -1.502 1.00 41.20 H new ATOM 0 HB3 ASN A 75 8.614 -8.566 -2.288 1.00 41.20 H new ATOM 0 HD21 ASN A 75 7.335 -4.979 -2.701 1.00 63.25 H new ATOM 0 HD22 ASN A 75 7.441 -6.061 -1.308 1.00 63.25 H new ATOM 1179 N PRO A 76 4.677 -10.526 -3.848 1.00 25.52 N ATOM 1180 CA PRO A 76 3.183 -10.588 -3.817 1.00 32.11 C ATOM 1181 C PRO A 76 2.629 -10.937 -2.402 1.00 53.50 C ATOM 1182 O PRO A 76 1.477 -10.635 -2.066 1.00 3.52 O ATOM 1183 CB PRO A 76 2.880 -11.696 -4.854 1.00 24.51 C ATOM 1184 CG PRO A 76 4.050 -12.634 -4.755 1.00 3.23 C ATOM 1185 CD PRO A 76 5.260 -11.768 -4.442 1.00 22.43 C ATOM 0 HA PRO A 76 2.708 -9.634 -4.047 1.00 32.11 H new ATOM 0 HB2 PRO A 76 1.943 -12.205 -4.629 1.00 24.51 H new ATOM 0 HB3 PRO A 76 2.785 -11.284 -5.859 1.00 24.51 H new ATOM 0 HG2 PRO A 76 3.889 -13.376 -3.973 1.00 3.23 H new ATOM 0 HG3 PRO A 76 4.192 -13.180 -5.688 1.00 3.23 H new ATOM 0 HD2 PRO A 76 5.935 -12.264 -3.745 1.00 22.43 H new ATOM 0 HD3 PRO A 76 5.835 -11.548 -5.341 1.00 22.43 H new ATOM 1193 N ASP A 77 3.492 -11.570 -1.590 1.00 44.12 N ATOM 1194 CA ASP A 77 3.222 -11.946 -0.187 1.00 61.32 C ATOM 1195 C ASP A 77 2.993 -10.709 0.708 1.00 75.51 C ATOM 1196 O ASP A 77 2.214 -10.771 1.659 1.00 43.25 O ATOM 1197 CB ASP A 77 4.401 -12.814 0.361 1.00 5.25 C ATOM 1198 CG ASP A 77 5.789 -12.121 0.333 1.00 13.11 C ATOM 1199 OD1 ASP A 77 6.136 -11.494 -0.692 1.00 1.24 O ATOM 1200 OD2 ASP A 77 6.559 -12.249 1.309 1.00 20.42 O ATOM 0 H ASP A 77 4.425 -11.843 -1.898 1.00 44.12 H new ATOM 0 HA ASP A 77 2.302 -12.530 -0.164 1.00 61.32 H new ATOM 0 HB2 ASP A 77 4.175 -13.101 1.388 1.00 5.25 H new ATOM 0 HB3 ASP A 77 4.458 -13.733 -0.222 1.00 5.25 H new ATOM 1205 N LEU A 78 3.663 -9.595 0.359 1.00 2.32 N ATOM 1206 CA LEU A 78 3.588 -8.318 1.101 1.00 35.41 C ATOM 1207 C LEU A 78 2.128 -7.812 1.272 1.00 15.45 C ATOM 1208 O LEU A 78 1.656 -7.620 2.403 1.00 53.21 O ATOM 1209 CB LEU A 78 4.428 -7.247 0.353 1.00 74.10 C ATOM 1210 CG LEU A 78 4.396 -5.805 0.958 1.00 42.32 C ATOM 1211 CD1 LEU A 78 5.082 -5.755 2.346 1.00 74.34 C ATOM 1212 CD2 LEU A 78 5.002 -4.779 -0.023 1.00 14.03 C ATOM 0 H LEU A 78 4.278 -9.553 -0.454 1.00 2.32 H new ATOM 0 HA LEU A 78 3.986 -8.491 2.101 1.00 35.41 H new ATOM 0 HB2 LEU A 78 5.464 -7.583 0.322 1.00 74.10 H new ATOM 0 HB3 LEU A 78 4.078 -7.195 -0.678 1.00 74.10 H new ATOM 0 HG LEU A 78 3.352 -5.531 1.112 1.00 42.32 H new ATOM 0 HD11 LEU A 78 5.041 -4.738 2.736 1.00 74.34 H new ATOM 0 HD12 LEU A 78 4.566 -6.427 3.031 1.00 74.34 H new ATOM 0 HD13 LEU A 78 6.123 -6.065 2.249 1.00 74.34 H new ATOM 0 HD21 LEU A 78 4.967 -3.785 0.423 1.00 14.03 H new ATOM 0 HD22 LEU A 78 6.037 -5.046 -0.235 1.00 14.03 H new ATOM 0 HD23 LEU A 78 4.430 -4.781 -0.951 1.00 14.03 H new ATOM 1224 N ARG A 79 1.415 -7.629 0.139 1.00 24.11 N ATOM 1225 CA ARG A 79 0.024 -7.117 0.146 1.00 2.34 C ATOM 1226 C ARG A 79 -0.970 -8.191 0.631 1.00 14.34 C ATOM 1227 O ARG A 79 -1.944 -7.861 1.302 1.00 64.10 O ATOM 1228 CB ARG A 79 -0.373 -6.550 -1.250 1.00 20.35 C ATOM 1229 CG ARG A 79 -1.823 -5.994 -1.373 1.00 3.44 C ATOM 1230 CD ARG A 79 -2.247 -5.081 -0.189 1.00 22.21 C ATOM 1231 NE ARG A 79 -1.316 -3.963 0.061 1.00 3.22 N ATOM 1232 CZ ARG A 79 -1.582 -2.893 0.789 1.00 20.15 C ATOM 1233 NH1 ARG A 79 -2.758 -2.693 1.300 1.00 32.41 N ATOM 1234 NH2 ARG A 79 -0.661 -2.015 0.983 1.00 52.31 N ATOM 0 H ARG A 79 1.779 -7.828 -0.793 1.00 24.11 H new ATOM 0 HA ARG A 79 -0.023 -6.293 0.858 1.00 2.34 H new ATOM 0 HB2 ARG A 79 0.324 -5.753 -1.508 1.00 20.35 H new ATOM 0 HB3 ARG A 79 -0.243 -7.339 -1.991 1.00 20.35 H new ATOM 0 HG2 ARG A 79 -1.909 -5.431 -2.302 1.00 3.44 H new ATOM 0 HG3 ARG A 79 -2.518 -6.831 -1.442 1.00 3.44 H new ATOM 0 HD2 ARG A 79 -3.239 -4.678 -0.390 1.00 22.21 H new ATOM 0 HD3 ARG A 79 -2.326 -5.686 0.714 1.00 22.21 H new ATOM 0 HE ARG A 79 -0.390 -4.021 -0.364 1.00 3.22 H new ATOM 0 HH11 ARG A 79 -3.504 -3.371 1.143 1.00 32.41 H new ATOM 0 HH12 ARG A 79 -2.936 -1.858 1.858 1.00 32.41 H new ATOM 0 HH21 ARG A 79 0.265 -2.149 0.576 1.00 52.31 H new ATOM 0 HH22 ARG A 79 -0.857 -1.186 1.544 1.00 52.31 H new ATOM 1248 N ARG A 80 -0.698 -9.462 0.310 1.00 75.10 N ATOM 1249 CA ARG A 80 -1.508 -10.606 0.796 1.00 2.52 C ATOM 1250 C ARG A 80 -1.630 -10.588 2.347 1.00 71.44 C ATOM 1251 O ARG A 80 -2.718 -10.768 2.900 1.00 22.44 O ATOM 1252 CB ARG A 80 -0.861 -11.929 0.326 1.00 33.15 C ATOM 1253 CG ARG A 80 -1.633 -13.207 0.722 1.00 32.20 C ATOM 1254 CD ARG A 80 -0.866 -14.486 0.361 1.00 24.42 C ATOM 1255 NE ARG A 80 0.437 -14.552 1.050 1.00 34.42 N ATOM 1256 CZ ARG A 80 1.422 -15.359 0.736 1.00 1.15 C ATOM 1257 NH1 ARG A 80 1.340 -16.172 -0.272 1.00 13.33 N ATOM 1258 NH2 ARG A 80 2.504 -15.339 1.437 1.00 34.21 N ATOM 0 H ARG A 80 0.082 -9.734 -0.289 1.00 75.10 H new ATOM 0 HA ARG A 80 -2.513 -10.523 0.382 1.00 2.52 H new ATOM 0 HB2 ARG A 80 -0.763 -11.903 -0.759 1.00 33.15 H new ATOM 0 HB3 ARG A 80 0.147 -11.989 0.736 1.00 33.15 H new ATOM 0 HG2 ARG A 80 -1.828 -13.193 1.794 1.00 32.20 H new ATOM 0 HG3 ARG A 80 -2.602 -13.213 0.222 1.00 32.20 H new ATOM 0 HD2 ARG A 80 -1.464 -15.357 0.629 1.00 24.42 H new ATOM 0 HD3 ARG A 80 -0.710 -14.525 -0.717 1.00 24.42 H new ATOM 0 HE ARG A 80 0.584 -13.918 1.835 1.00 34.42 H new ATOM 0 HH11 ARG A 80 0.494 -16.194 -0.842 1.00 13.33 H new ATOM 0 HH12 ARG A 80 2.121 -16.789 -0.494 1.00 13.33 H new ATOM 0 HH21 ARG A 80 2.588 -14.700 2.227 1.00 34.21 H new ATOM 0 HH22 ARG A 80 3.276 -15.963 1.201 1.00 34.21 H new ATOM 1272 N ASN A 81 -0.493 -10.319 3.014 1.00 51.12 N ATOM 1273 CA ASN A 81 -0.411 -10.193 4.487 1.00 44.41 C ATOM 1274 C ASN A 81 -1.181 -8.947 5.014 1.00 53.41 C ATOM 1275 O ASN A 81 -1.759 -9.004 6.102 1.00 74.41 O ATOM 1276 CB ASN A 81 1.082 -10.151 4.933 1.00 12.41 C ATOM 1277 CG ASN A 81 1.826 -11.489 4.759 1.00 21.34 C ATOM 1278 OD1 ASN A 81 1.448 -12.348 3.959 1.00 4.45 O ATOM 1279 ND2 ASN A 81 2.917 -11.666 5.487 1.00 54.02 N ATOM 0 H ASN A 81 0.403 -10.181 2.546 1.00 51.12 H new ATOM 0 HA ASN A 81 -0.892 -11.068 4.924 1.00 44.41 H new ATOM 0 HB2 ASN A 81 1.600 -9.382 4.360 1.00 12.41 H new ATOM 0 HB3 ASN A 81 1.129 -9.854 5.981 1.00 12.41 H new ATOM 0 HD21 ASN A 81 3.460 -12.524 5.391 1.00 54.02 H new ATOM 0 HD22 ASN A 81 3.215 -10.944 6.144 1.00 54.02 H new ATOM 1286 N VAL A 82 -1.192 -7.831 4.245 1.00 21.44 N ATOM 1287 CA VAL A 82 -1.952 -6.604 4.632 1.00 40.13 C ATOM 1288 C VAL A 82 -3.484 -6.860 4.583 1.00 5.43 C ATOM 1289 O VAL A 82 -4.217 -6.515 5.517 1.00 25.41 O ATOM 1290 CB VAL A 82 -1.606 -5.349 3.733 1.00 34.31 C ATOM 1291 CG1 VAL A 82 -2.292 -4.060 4.269 1.00 54.41 C ATOM 1292 CG2 VAL A 82 -0.079 -5.142 3.600 1.00 61.30 C ATOM 0 H VAL A 82 -0.690 -7.749 3.361 1.00 21.44 H new ATOM 0 HA VAL A 82 -1.645 -6.375 5.652 1.00 40.13 H new ATOM 0 HB VAL A 82 -2.000 -5.553 2.737 1.00 34.31 H new ATOM 0 HG11 VAL A 82 -2.033 -3.217 3.628 1.00 54.41 H new ATOM 0 HG12 VAL A 82 -3.373 -4.197 4.270 1.00 54.41 H new ATOM 0 HG13 VAL A 82 -1.951 -3.862 5.285 1.00 54.41 H new ATOM 0 HG21 VAL A 82 0.117 -4.271 2.975 1.00 61.30 H new ATOM 0 HG22 VAL A 82 0.354 -4.985 4.588 1.00 61.30 H new ATOM 0 HG23 VAL A 82 0.369 -6.024 3.143 1.00 61.30 H new ATOM 1302 N LEU A 83 -3.936 -7.467 3.471 1.00 15.11 N ATOM 1303 CA LEU A 83 -5.346 -7.890 3.263 1.00 52.02 C ATOM 1304 C LEU A 83 -5.819 -8.920 4.333 1.00 24.50 C ATOM 1305 O LEU A 83 -6.995 -8.941 4.707 1.00 20.20 O ATOM 1306 CB LEU A 83 -5.495 -8.504 1.847 1.00 12.43 C ATOM 1307 CG LEU A 83 -5.098 -7.593 0.639 1.00 45.04 C ATOM 1308 CD1 LEU A 83 -5.063 -8.398 -0.681 1.00 20.44 C ATOM 1309 CD2 LEU A 83 -6.028 -6.364 0.518 1.00 44.14 C ATOM 0 H LEU A 83 -3.331 -7.683 2.679 1.00 15.11 H new ATOM 0 HA LEU A 83 -5.975 -7.005 3.362 1.00 52.02 H new ATOM 0 HB2 LEU A 83 -4.889 -9.409 1.804 1.00 12.43 H new ATOM 0 HB3 LEU A 83 -6.533 -8.809 1.716 1.00 12.43 H new ATOM 0 HG LEU A 83 -4.092 -7.221 0.832 1.00 45.04 H new ATOM 0 HD11 LEU A 83 -4.784 -7.738 -1.502 1.00 20.44 H new ATOM 0 HD12 LEU A 83 -4.332 -9.202 -0.597 1.00 20.44 H new ATOM 0 HD13 LEU A 83 -6.048 -8.822 -0.875 1.00 20.44 H new ATOM 0 HD21 LEU A 83 -5.719 -5.756 -0.333 1.00 44.14 H new ATOM 0 HD22 LEU A 83 -7.055 -6.698 0.372 1.00 44.14 H new ATOM 0 HD23 LEU A 83 -5.966 -5.770 1.430 1.00 44.14 H new ATOM 1321 N CYS A 84 -4.885 -9.774 4.805 1.00 15.34 N ATOM 1322 CA CYS A 84 -5.158 -10.772 5.878 1.00 53.10 C ATOM 1323 C CYS A 84 -5.125 -10.138 7.295 1.00 33.21 C ATOM 1324 O CYS A 84 -5.562 -10.764 8.263 1.00 34.23 O ATOM 1325 CB CYS A 84 -4.139 -11.937 5.802 1.00 71.34 C ATOM 1326 SG CYS A 84 -4.258 -12.947 4.302 1.00 34.23 S ATOM 0 H CYS A 84 -3.925 -9.796 4.460 1.00 15.34 H new ATOM 0 HA CYS A 84 -6.165 -11.153 5.710 1.00 53.10 H new ATOM 0 HB2 CYS A 84 -3.132 -11.526 5.868 1.00 71.34 H new ATOM 0 HB3 CYS A 84 -4.278 -12.581 6.670 1.00 71.34 H new ATOM 0 HG CYS A 84 -3.647 -12.346 3.324 1.00 34.23 H new ATOM 1332 N GLY A 85 -4.600 -8.906 7.405 1.00 62.15 N ATOM 1333 CA GLY A 85 -4.523 -8.184 8.686 1.00 42.34 C ATOM 1334 C GLY A 85 -3.235 -8.443 9.477 1.00 1.12 C ATOM 1335 O GLY A 85 -3.095 -7.945 10.598 1.00 2.42 O ATOM 0 H GLY A 85 -4.220 -8.386 6.614 1.00 62.15 H new ATOM 0 HA2 GLY A 85 -4.609 -7.115 8.493 1.00 42.34 H new ATOM 0 HA3 GLY A 85 -5.377 -8.467 9.301 1.00 42.34 H new ATOM 1339 N ALA A 86 -2.296 -9.219 8.896 1.00 1.32 N ATOM 1340 CA ALA A 86 -0.968 -9.480 9.495 1.00 64.01 C ATOM 1341 C ALA A 86 -0.113 -8.187 9.507 1.00 5.43 C ATOM 1342 O ALA A 86 0.527 -7.856 10.505 1.00 61.44 O ATOM 1343 CB ALA A 86 -0.250 -10.603 8.725 1.00 3.44 C ATOM 0 H ALA A 86 -2.436 -9.683 7.998 1.00 1.32 H new ATOM 0 HA ALA A 86 -1.107 -9.803 10.527 1.00 64.01 H new ATOM 0 HB1 ALA A 86 0.726 -10.786 9.175 1.00 3.44 H new ATOM 0 HB2 ALA A 86 -0.847 -11.514 8.770 1.00 3.44 H new ATOM 0 HB3 ALA A 86 -0.120 -10.305 7.685 1.00 3.44 H new ATOM 1349 N ILE A 87 -0.119 -7.468 8.372 1.00 34.44 N ATOM 1350 CA ILE A 87 0.514 -6.134 8.236 1.00 23.23 C ATOM 1351 C ILE A 87 -0.597 -5.053 8.158 1.00 74.43 C ATOM 1352 O ILE A 87 -1.619 -5.262 7.502 1.00 31.32 O ATOM 1353 CB ILE A 87 1.431 -6.083 6.947 1.00 22.51 C ATOM 1354 CG1 ILE A 87 2.543 -7.190 7.014 1.00 62.43 C ATOM 1355 CG2 ILE A 87 2.059 -4.677 6.734 1.00 73.45 C ATOM 1356 CD1 ILE A 87 3.455 -7.262 5.796 1.00 52.13 C ATOM 0 H ILE A 87 -0.565 -7.793 7.514 1.00 34.44 H new ATOM 0 HA ILE A 87 1.146 -5.942 9.103 1.00 23.23 H new ATOM 0 HB ILE A 87 0.794 -6.283 6.086 1.00 22.51 H new ATOM 0 HG12 ILE A 87 3.156 -7.015 7.898 1.00 62.43 H new ATOM 0 HG13 ILE A 87 2.062 -8.159 7.147 1.00 62.43 H new ATOM 0 HG21 ILE A 87 2.680 -4.688 5.838 1.00 73.45 H new ATOM 0 HG22 ILE A 87 1.266 -3.938 6.617 1.00 73.45 H new ATOM 0 HG23 ILE A 87 2.672 -4.418 7.597 1.00 73.45 H new ATOM 0 HD11 ILE A 87 4.189 -8.056 5.937 1.00 52.13 H new ATOM 0 HD12 ILE A 87 2.860 -7.472 4.907 1.00 52.13 H new ATOM 0 HD13 ILE A 87 3.970 -6.310 5.671 1.00 52.13 H new ATOM 1368 N THR A 88 -0.411 -3.914 8.853 1.00 5.13 N ATOM 1369 CA THR A 88 -1.399 -2.803 8.833 1.00 60.40 C ATOM 1370 C THR A 88 -1.140 -1.845 7.643 1.00 72.12 C ATOM 1371 O THR A 88 -0.001 -1.746 7.158 1.00 10.42 O ATOM 1372 CB THR A 88 -1.390 -1.979 10.171 1.00 73.32 C ATOM 1373 OG1 THR A 88 -0.146 -1.273 10.324 1.00 71.11 O ATOM 1374 CG2 THR A 88 -1.631 -2.880 11.394 1.00 5.13 C ATOM 0 H THR A 88 0.408 -3.734 9.434 1.00 5.13 H new ATOM 0 HA THR A 88 -2.379 -3.266 8.720 1.00 60.40 H new ATOM 0 HB THR A 88 -2.206 -1.259 10.113 1.00 73.32 H new ATOM 0 HG1 THR A 88 -0.159 -0.764 11.162 1.00 71.11 H new ATOM 0 HG21 THR A 88 -1.618 -2.275 12.300 1.00 5.13 H new ATOM 0 HG22 THR A 88 -2.600 -3.370 11.299 1.00 5.13 H new ATOM 0 HG23 THR A 88 -0.846 -3.635 11.450 1.00 5.13 H new ATOM 1382 N PRO A 89 -2.206 -1.144 7.124 1.00 41.40 N ATOM 1383 CA PRO A 89 -2.043 -0.039 6.137 1.00 34.51 C ATOM 1384 C PRO A 89 -1.106 1.109 6.616 1.00 61.13 C ATOM 1385 O PRO A 89 -0.553 1.848 5.792 1.00 34.52 O ATOM 1386 CB PRO A 89 -3.491 0.462 5.922 1.00 13.12 C ATOM 1387 CG PRO A 89 -4.345 -0.727 6.227 1.00 22.41 C ATOM 1388 CD PRO A 89 -3.651 -1.421 7.380 1.00 33.12 C ATOM 0 HA PRO A 89 -1.557 -0.389 5.226 1.00 34.51 H new ATOM 0 HB2 PRO A 89 -3.724 1.298 6.581 1.00 13.12 H new ATOM 0 HB3 PRO A 89 -3.644 0.809 4.900 1.00 13.12 H new ATOM 0 HG2 PRO A 89 -5.357 -0.427 6.498 1.00 22.41 H new ATOM 0 HG3 PRO A 89 -4.429 -1.385 5.362 1.00 22.41 H new ATOM 0 HD2 PRO A 89 -3.973 -1.023 8.342 1.00 33.12 H new ATOM 0 HD3 PRO A 89 -3.860 -2.491 7.391 1.00 33.12 H new ATOM 1396 N GLN A 90 -0.941 1.240 7.949 1.00 3.42 N ATOM 1397 CA GLN A 90 0.011 2.198 8.561 1.00 11.23 C ATOM 1398 C GLN A 90 1.478 1.764 8.290 1.00 65.53 C ATOM 1399 O GLN A 90 2.317 2.596 7.923 1.00 65.03 O ATOM 1400 CB GLN A 90 -0.274 2.323 10.093 1.00 63.22 C ATOM 1401 CG GLN A 90 0.575 3.391 10.857 1.00 53.02 C ATOM 1402 CD GLN A 90 1.857 2.864 11.539 1.00 55.11 C ATOM 1403 OE1 GLN A 90 2.446 1.867 11.141 1.00 63.01 O ATOM 1404 NE2 GLN A 90 2.314 3.560 12.562 1.00 23.00 N ATOM 0 H GLN A 90 -1.461 0.688 8.631 1.00 3.42 H new ATOM 0 HA GLN A 90 -0.128 3.178 8.105 1.00 11.23 H new ATOM 0 HB2 GLN A 90 -1.329 2.560 10.229 1.00 63.22 H new ATOM 0 HB3 GLN A 90 -0.103 1.351 10.556 1.00 63.22 H new ATOM 0 HG2 GLN A 90 0.855 4.176 10.155 1.00 53.02 H new ATOM 0 HG3 GLN A 90 -0.055 3.854 11.617 1.00 53.02 H new ATOM 0 HE21 GLN A 90 1.811 4.388 12.881 1.00 23.00 H new ATOM 0 HE22 GLN A 90 3.170 3.270 13.034 1.00 23.00 H new ATOM 1413 N GLN A 91 1.766 0.450 8.482 1.00 51.10 N ATOM 1414 CA GLN A 91 3.113 -0.143 8.246 1.00 74.20 C ATOM 1415 C GLN A 91 3.601 0.116 6.804 1.00 3.21 C ATOM 1416 O GLN A 91 4.645 0.719 6.605 1.00 33.44 O ATOM 1417 CB GLN A 91 3.103 -1.676 8.530 1.00 10.41 C ATOM 1418 CG GLN A 91 2.920 -2.080 10.007 1.00 0.24 C ATOM 1419 CD GLN A 91 4.129 -1.738 10.880 1.00 13.10 C ATOM 1420 OE1 GLN A 91 5.067 -2.658 10.984 1.00 10.45 O flip ATOM 1421 NE2 GLN A 91 4.219 -0.661 11.450 1.00 53.55 N flip ATOM 0 H GLN A 91 1.075 -0.228 8.804 1.00 51.10 H new ATOM 0 HA GLN A 91 3.804 0.342 8.936 1.00 74.20 H new ATOM 0 HB2 GLN A 91 2.302 -2.130 7.946 1.00 10.41 H new ATOM 0 HB3 GLN A 91 4.040 -2.100 8.170 1.00 10.41 H new ATOM 0 HG2 GLN A 91 2.038 -1.580 10.407 1.00 0.24 H new ATOM 0 HG3 GLN A 91 2.731 -3.152 10.063 1.00 0.24 H new ATOM 0 HE21 GLN A 91 3.477 0.032 11.351 1.00 53.55 H new ATOM 0 HE22 GLN A 91 5.036 -0.455 12.025 1.00 53.55 H new ATOM 1430 N ILE A 92 2.800 -0.314 5.811 1.00 52.15 N ATOM 1431 CA ILE A 92 3.123 -0.153 4.364 1.00 61.14 C ATOM 1432 C ILE A 92 3.204 1.357 3.935 1.00 23.22 C ATOM 1433 O ILE A 92 3.842 1.694 2.931 1.00 62.31 O ATOM 1434 CB ILE A 92 2.090 -0.961 3.476 1.00 33.04 C ATOM 1435 CG1 ILE A 92 2.460 -0.950 1.949 1.00 22.44 C ATOM 1436 CG2 ILE A 92 0.654 -0.450 3.693 1.00 23.12 C ATOM 1437 CD1 ILE A 92 3.782 -1.616 1.605 1.00 70.34 C ATOM 0 H ILE A 92 1.910 -0.783 5.979 1.00 52.15 H new ATOM 0 HA ILE A 92 4.117 -0.569 4.198 1.00 61.14 H new ATOM 0 HB ILE A 92 2.145 -1.998 3.806 1.00 33.04 H new ATOM 0 HG12 ILE A 92 1.664 -1.447 1.394 1.00 22.44 H new ATOM 0 HG13 ILE A 92 2.491 0.084 1.605 1.00 22.44 H new ATOM 0 HG21 ILE A 92 -0.034 -1.023 3.071 1.00 23.12 H new ATOM 0 HG22 ILE A 92 0.380 -0.569 4.741 1.00 23.12 H new ATOM 0 HG23 ILE A 92 0.598 0.604 3.421 1.00 23.12 H new ATOM 0 HD11 ILE A 92 3.950 -1.558 0.530 1.00 70.34 H new ATOM 0 HD12 ILE A 92 4.592 -1.107 2.126 1.00 70.34 H new ATOM 0 HD13 ILE A 92 3.753 -2.662 1.912 1.00 70.34 H new ATOM 1449 N ALA A 93 2.585 2.255 4.732 1.00 31.45 N ATOM 1450 CA ALA A 93 2.643 3.725 4.509 1.00 4.21 C ATOM 1451 C ALA A 93 4.001 4.339 4.945 1.00 51.32 C ATOM 1452 O ALA A 93 4.470 5.310 4.340 1.00 62.25 O ATOM 1453 CB ALA A 93 1.496 4.418 5.261 1.00 44.34 C ATOM 0 H ALA A 93 2.032 1.988 5.546 1.00 31.45 H new ATOM 0 HA ALA A 93 2.539 3.890 3.437 1.00 4.21 H new ATOM 0 HB1 ALA A 93 1.547 5.494 5.091 1.00 44.34 H new ATOM 0 HB2 ALA A 93 0.541 4.038 4.898 1.00 44.34 H new ATOM 0 HB3 ALA A 93 1.585 4.214 6.328 1.00 44.34 H new ATOM 1459 N VAL A 94 4.617 3.779 6.009 1.00 72.31 N ATOM 1460 CA VAL A 94 5.879 4.317 6.599 1.00 5.20 C ATOM 1461 C VAL A 94 7.135 3.460 6.257 1.00 54.44 C ATOM 1462 O VAL A 94 8.267 3.928 6.407 1.00 62.30 O ATOM 1463 CB VAL A 94 5.742 4.457 8.169 1.00 31.12 C ATOM 1464 CG1 VAL A 94 4.616 5.457 8.546 1.00 52.50 C ATOM 1465 CG2 VAL A 94 5.517 3.078 8.852 1.00 70.32 C ATOM 0 H VAL A 94 4.264 2.949 6.485 1.00 72.31 H new ATOM 0 HA VAL A 94 6.029 5.298 6.148 1.00 5.20 H new ATOM 0 HB VAL A 94 6.685 4.856 8.543 1.00 31.12 H new ATOM 0 HG11 VAL A 94 4.545 5.533 9.631 1.00 52.50 H new ATOM 0 HG12 VAL A 94 4.845 6.437 8.128 1.00 52.50 H new ATOM 0 HG13 VAL A 94 3.666 5.104 8.144 1.00 52.50 H new ATOM 0 HG21 VAL A 94 5.428 3.216 9.930 1.00 70.32 H new ATOM 0 HG22 VAL A 94 4.603 2.626 8.467 1.00 70.32 H new ATOM 0 HG23 VAL A 94 6.363 2.424 8.639 1.00 70.32 H new ATOM 1475 N MET A 95 6.922 2.224 5.781 1.00 20.41 N ATOM 1476 CA MET A 95 8.008 1.234 5.547 1.00 53.12 C ATOM 1477 C MET A 95 8.820 1.529 4.253 1.00 63.45 C ATOM 1478 O MET A 95 8.249 1.867 3.221 1.00 21.15 O ATOM 1479 CB MET A 95 7.380 -0.185 5.505 1.00 21.14 C ATOM 1480 CG MET A 95 8.341 -1.342 5.237 1.00 31.50 C ATOM 1481 SD MET A 95 7.600 -2.961 5.562 1.00 24.41 S ATOM 1482 CE MET A 95 6.053 -2.896 4.655 1.00 43.33 C ATOM 0 H MET A 95 5.994 1.873 5.544 1.00 20.41 H new ATOM 0 HA MET A 95 8.723 1.303 6.366 1.00 53.12 H new ATOM 0 HB2 MET A 95 6.882 -0.367 6.457 1.00 21.14 H new ATOM 0 HB3 MET A 95 6.609 -0.195 4.735 1.00 21.14 H new ATOM 0 HG2 MET A 95 8.671 -1.301 4.199 1.00 31.50 H new ATOM 0 HG3 MET A 95 9.228 -1.222 5.859 1.00 31.50 H new ATOM 0 HE1 MET A 95 5.508 -3.829 4.798 1.00 43.33 H new ATOM 0 HE2 MET A 95 5.451 -2.064 5.021 1.00 43.33 H new ATOM 0 HE3 MET A 95 6.259 -2.755 3.594 1.00 43.33 H new ATOM 1492 N THR A 96 10.163 1.402 4.338 1.00 14.12 N ATOM 1493 CA THR A 96 11.087 1.621 3.189 1.00 72.53 C ATOM 1494 C THR A 96 11.058 0.432 2.194 1.00 5.20 C ATOM 1495 O THR A 96 10.605 -0.658 2.540 1.00 15.34 O ATOM 1496 CB THR A 96 12.557 1.850 3.675 1.00 12.43 C ATOM 1497 OG1 THR A 96 13.402 2.220 2.564 1.00 63.53 O ATOM 1498 CG2 THR A 96 13.136 0.599 4.369 1.00 4.40 C ATOM 0 H THR A 96 10.642 1.145 5.201 1.00 14.12 H new ATOM 0 HA THR A 96 10.736 2.516 2.676 1.00 72.53 H new ATOM 0 HB THR A 96 12.533 2.660 4.404 1.00 12.43 H new ATOM 0 HG1 THR A 96 13.865 1.425 2.226 1.00 63.53 H new ATOM 0 HG21 THR A 96 14.158 0.801 4.691 1.00 4.40 H new ATOM 0 HG22 THR A 96 12.525 0.349 5.237 1.00 4.40 H new ATOM 0 HG23 THR A 96 13.134 -0.238 3.671 1.00 4.40 H new ATOM 1506 N SER A 97 11.615 0.644 0.988 1.00 32.04 N ATOM 1507 CA SER A 97 11.524 -0.307 -0.150 1.00 74.12 C ATOM 1508 C SER A 97 12.231 -1.662 0.101 1.00 44.31 C ATOM 1509 O SER A 97 11.798 -2.686 -0.435 1.00 34.23 O ATOM 1510 CB SER A 97 12.072 0.358 -1.433 1.00 21.33 C ATOM 1511 OG SER A 97 13.426 0.749 -1.282 1.00 22.32 O ATOM 0 H SER A 97 12.147 1.486 0.767 1.00 32.04 H new ATOM 0 HA SER A 97 10.467 -0.544 -0.269 1.00 74.12 H new ATOM 0 HB2 SER A 97 11.984 -0.336 -2.269 1.00 21.33 H new ATOM 0 HB3 SER A 97 11.466 1.230 -1.678 1.00 21.33 H new ATOM 0 HG SER A 97 13.733 0.524 -0.379 1.00 22.32 H new ATOM 1517 N GLU A 98 13.306 -1.660 0.916 1.00 11.04 N ATOM 1518 CA GLU A 98 14.046 -2.900 1.288 1.00 2.42 C ATOM 1519 C GLU A 98 13.139 -3.844 2.110 1.00 35.12 C ATOM 1520 O GLU A 98 13.020 -5.042 1.827 1.00 44.42 O ATOM 1521 CB GLU A 98 15.343 -2.597 2.110 1.00 54.21 C ATOM 1522 CG GLU A 98 16.326 -1.567 1.492 1.00 75.34 C ATOM 1523 CD GLU A 98 15.947 -0.107 1.800 1.00 22.23 C ATOM 1524 OE1 GLU A 98 16.245 0.367 2.915 1.00 74.04 O ATOM 1525 OE2 GLU A 98 15.333 0.567 0.950 1.00 42.34 O ATOM 0 H GLU A 98 13.688 -0.812 1.335 1.00 11.04 H new ATOM 0 HA GLU A 98 14.340 -3.379 0.354 1.00 2.42 H new ATOM 0 HB2 GLU A 98 15.047 -2.238 3.096 1.00 54.21 H new ATOM 0 HB3 GLU A 98 15.879 -3.534 2.260 1.00 54.21 H new ATOM 0 HG2 GLU A 98 17.330 -1.762 1.868 1.00 75.34 H new ATOM 0 HG3 GLU A 98 16.357 -1.707 0.412 1.00 75.34 H new ATOM 1532 N GLU A 99 12.496 -3.260 3.127 1.00 63.13 N ATOM 1533 CA GLU A 99 11.607 -3.985 4.054 1.00 50.34 C ATOM 1534 C GLU A 99 10.212 -4.263 3.429 1.00 72.31 C ATOM 1535 O GLU A 99 9.523 -5.194 3.851 1.00 33.30 O ATOM 1536 CB GLU A 99 11.512 -3.193 5.381 1.00 70.32 C ATOM 1537 CG GLU A 99 12.859 -3.103 6.145 1.00 74.21 C ATOM 1538 CD GLU A 99 12.828 -2.149 7.354 1.00 12.41 C ATOM 1539 OE1 GLU A 99 12.233 -2.499 8.389 1.00 34.21 O ATOM 1540 OE2 GLU A 99 13.400 -1.040 7.271 1.00 24.20 O ATOM 0 H GLU A 99 12.575 -2.265 3.335 1.00 63.13 H new ATOM 0 HA GLU A 99 12.032 -4.967 4.261 1.00 50.34 H new ATOM 0 HB2 GLU A 99 11.156 -2.185 5.169 1.00 70.32 H new ATOM 0 HB3 GLU A 99 10.769 -3.665 6.024 1.00 70.32 H new ATOM 0 HG2 GLU A 99 13.138 -4.099 6.488 1.00 74.21 H new ATOM 0 HG3 GLU A 99 13.636 -2.774 5.455 1.00 74.21 H new ATOM 1547 N MET A 100 9.805 -3.460 2.414 1.00 24.41 N ATOM 1548 CA MET A 100 8.600 -3.768 1.597 1.00 61.03 C ATOM 1549 C MET A 100 8.854 -5.020 0.731 1.00 44.40 C ATOM 1550 O MET A 100 7.986 -5.884 0.607 1.00 43.41 O ATOM 1551 CB MET A 100 8.164 -2.572 0.697 1.00 44.31 C ATOM 1552 CG MET A 100 7.604 -1.360 1.457 1.00 55.20 C ATOM 1553 SD MET A 100 6.722 -0.191 0.394 1.00 44.34 S ATOM 1554 CE MET A 100 7.992 0.311 -0.765 1.00 12.31 C ATOM 0 H MET A 100 10.286 -2.603 2.142 1.00 24.41 H new ATOM 0 HA MET A 100 7.782 -3.960 2.291 1.00 61.03 H new ATOM 0 HB2 MET A 100 9.022 -2.248 0.108 1.00 44.31 H new ATOM 0 HB3 MET A 100 7.408 -2.922 -0.006 1.00 44.31 H new ATOM 0 HG2 MET A 100 6.929 -1.710 2.238 1.00 55.20 H new ATOM 0 HG3 MET A 100 8.424 -0.841 1.953 1.00 55.20 H new ATOM 0 HE1 MET A 100 7.567 1.002 -1.493 1.00 12.31 H new ATOM 0 HE2 MET A 100 8.802 0.804 -0.227 1.00 12.31 H new ATOM 0 HE3 MET A 100 8.381 -0.567 -1.281 1.00 12.31 H new