USER MOD reduce.3.24.130724 H: found=0, std=0, add=666, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 667 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 11 THR OG1 : rot 180:sc= 0.0961 USER MOD Set 1.2: A 12 SER OG : rot 180:sc= 0.0875 USER MOD Single : A 4 LYS NZ :NH3+ 178:sc= -0.486 (180deg=-0.495) USER MOD Single : A 5 MET CE :methyl 161:sc= 0 (180deg=-0.468) USER MOD Single : A 6 SER OG : rot 87:sc= 0.962 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.417 X(o=-0.42,f=-0.64) USER MOD Single : A 21 GLN : amide:sc= -0.0273 X(o=-0.027,f=-0.31) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 34 CYS SG : rot -0:sc= -0.32 USER MOD Single : A 36 GLN :FLIP amide:sc= -0.232 F(o=-2.6!,f=-0.23) USER MOD Single : A 38 HIS : no HE2:sc= -1.37 K(o=-1.4,f=-6.7!) USER MOD Single : A 39 ASN : amide:sc= -0.117 K(o=-0.12,f=-8.1!) USER MOD Single : A 45 LYS NZ :NH3+ -152:sc= 1.3 (180deg=0.722) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 MET CE :methyl -170:sc= -0.0278 (180deg=-0.293) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 SER OG : rot -150:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.145 K(o=-0.15,f=-1.9) USER MOD Single : A 71 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 CYS SG : rot 180:sc= 0 USER MOD Single : A 77 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 ASN : amide:sc= 0.226 X(o=0.23,f=-0.0052) USER MOD Single : A 83 THR OG1 : rot -5:sc= 0.872 USER MOD Single : A 85 GLN : amide:sc= -2.24 K(o=-2.2,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 37 N LYS A 4 -17.270 -1.074 3.589 1.00 0.00 N ATOM 38 CA LYS A 4 -16.827 0.225 3.075 1.00 0.00 C ATOM 39 C LYS A 4 -16.017 -0.003 1.796 1.00 0.00 C ATOM 40 O LYS A 4 -15.529 -1.118 1.586 1.00 0.00 O ATOM 41 CB LYS A 4 -16.092 1.001 4.202 1.00 0.00 C ATOM 42 CG LYS A 4 -14.600 0.660 4.407 1.00 0.00 C ATOM 43 CD LYS A 4 -13.703 1.419 3.432 1.00 0.00 C ATOM 44 CE LYS A 4 -12.860 2.580 3.954 1.00 0.00 C ATOM 45 NZ LYS A 4 -12.189 3.237 2.812 1.00 0.00 N ATOM 0 HA LYS A 4 -17.662 0.864 2.788 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -16.173 2.068 3.992 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -16.616 0.820 5.140 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -14.310 0.901 5.430 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -14.452 -0.412 4.277 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -13.024 0.697 2.979 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -14.337 1.805 2.634 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -13.490 3.295 4.483 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.120 2.218 4.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -11.639 4.051 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -11.552 2.559 2.347 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.904 3.564 2.131 1.00 0.00 H new ATOM 59 N MET A 5 -15.816 1.044 0.986 1.00 0.00 N ATOM 60 CA MET A 5 -15.152 1.032 -0.321 1.00 0.00 C ATOM 61 C MET A 5 -15.710 -0.139 -1.143 1.00 0.00 C ATOM 62 O MET A 5 -14.975 -0.985 -1.654 1.00 0.00 O ATOM 63 CB MET A 5 -13.610 1.064 -0.157 1.00 0.00 C ATOM 64 CG MET A 5 -12.864 1.975 -1.140 1.00 0.00 C ATOM 65 SD MET A 5 -11.810 1.116 -2.346 1.00 0.00 S ATOM 66 CE MET A 5 -11.306 2.508 -3.398 1.00 0.00 C ATOM 0 H MET A 5 -16.133 1.979 1.243 1.00 0.00 H new ATOM 0 HA MET A 5 -15.371 1.936 -0.890 1.00 0.00 H new ATOM 0 HB2 MET A 5 -13.376 1.384 0.858 1.00 0.00 H new ATOM 0 HB3 MET A 5 -13.228 0.049 -0.267 1.00 0.00 H new ATOM 0 HG2 MET A 5 -13.596 2.573 -1.683 1.00 0.00 H new ATOM 0 HG3 MET A 5 -12.245 2.668 -0.570 1.00 0.00 H new ATOM 0 HE1 MET A 5 -10.416 2.233 -3.964 1.00 0.00 H new ATOM 0 HE2 MET A 5 -12.113 2.753 -4.088 1.00 0.00 H new ATOM 0 HE3 MET A 5 -11.086 3.374 -2.774 1.00 0.00 H new ATOM 76 N SER A 6 -17.041 -0.252 -1.144 1.00 0.00 N ATOM 77 CA SER A 6 -17.756 -1.418 -1.627 1.00 0.00 C ATOM 78 C SER A 6 -17.566 -1.582 -3.127 1.00 0.00 C ATOM 79 O SER A 6 -17.236 -2.673 -3.589 1.00 0.00 O ATOM 80 CB SER A 6 -19.237 -1.267 -1.257 1.00 0.00 C ATOM 81 OG SER A 6 -19.767 -0.012 -1.673 1.00 0.00 O ATOM 0 H SER A 6 -17.657 0.485 -0.800 1.00 0.00 H new ATOM 0 HA SER A 6 -17.361 -2.320 -1.159 1.00 0.00 H new ATOM 0 HB2 SER A 6 -19.809 -2.072 -1.717 1.00 0.00 H new ATOM 0 HB3 SER A 6 -19.353 -1.370 -0.178 1.00 0.00 H new ATOM 0 HG SER A 6 -20.080 -0.080 -2.599 1.00 0.00 H new ATOM 87 N ASP A 7 -17.826 -0.499 -3.856 1.00 0.00 N ATOM 88 CA ASP A 7 -17.964 -0.425 -5.294 1.00 0.00 C ATOM 89 C ASP A 7 -17.581 1.001 -5.675 1.00 0.00 C ATOM 90 O ASP A 7 -18.186 1.983 -5.237 1.00 0.00 O ATOM 91 CB ASP A 7 -19.388 -0.784 -5.742 1.00 0.00 C ATOM 92 CG ASP A 7 -20.423 0.299 -5.441 1.00 0.00 C ATOM 93 OD1 ASP A 7 -20.753 0.465 -4.242 1.00 0.00 O ATOM 94 OD2 ASP A 7 -20.947 0.943 -6.387 1.00 0.00 O ATOM 0 H ASP A 7 -17.954 0.413 -3.417 1.00 0.00 H new ATOM 0 HA ASP A 7 -17.319 -1.146 -5.796 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -19.383 -0.980 -6.814 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -19.691 -1.709 -5.251 1.00 0.00 H new ATOM 99 N VAL A 8 -16.465 1.110 -6.380 1.00 0.00 N ATOM 100 CA VAL A 8 -15.790 2.352 -6.737 1.00 0.00 C ATOM 101 C VAL A 8 -15.141 2.151 -8.113 1.00 0.00 C ATOM 102 O VAL A 8 -14.302 2.934 -8.547 1.00 0.00 O ATOM 103 CB VAL A 8 -14.748 2.706 -5.651 1.00 0.00 C ATOM 104 CG1 VAL A 8 -14.368 4.194 -5.677 1.00 0.00 C ATOM 105 CG2 VAL A 8 -15.194 2.385 -4.211 1.00 0.00 C ATOM 0 H VAL A 8 -15.978 0.289 -6.739 1.00 0.00 H new ATOM 0 HA VAL A 8 -16.491 3.185 -6.793 1.00 0.00 H new ATOM 0 HB VAL A 8 -13.897 2.074 -5.906 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -13.634 4.396 -4.897 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.943 4.444 -6.649 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -15.257 4.800 -5.503 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -14.404 2.665 -3.514 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -16.099 2.945 -3.977 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -15.395 1.317 -4.122 1.00 0.00 H new ATOM 115 N LYS A 9 -15.487 1.043 -8.778 1.00 0.00 N ATOM 116 CA LYS A 9 -15.068 0.561 -10.091 1.00 0.00 C ATOM 117 C LYS A 9 -13.631 0.057 -10.052 1.00 0.00 C ATOM 118 O LYS A 9 -13.345 -1.023 -10.564 1.00 0.00 O ATOM 119 CB LYS A 9 -15.341 1.623 -11.168 1.00 0.00 C ATOM 120 CG LYS A 9 -16.847 1.953 -11.217 1.00 0.00 C ATOM 121 CD LYS A 9 -17.569 1.106 -12.272 1.00 0.00 C ATOM 122 CE LYS A 9 -19.075 1.118 -12.005 1.00 0.00 C ATOM 123 NZ LYS A 9 -19.856 0.559 -13.126 1.00 0.00 N ATOM 0 H LYS A 9 -16.145 0.389 -8.355 1.00 0.00 H new ATOM 0 HA LYS A 9 -15.668 -0.304 -10.372 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -14.770 2.526 -10.953 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -15.008 1.260 -12.140 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -17.292 1.776 -10.238 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -16.983 3.011 -11.442 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -17.364 1.498 -13.268 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -17.194 0.083 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -19.284 0.546 -11.101 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -19.399 2.142 -11.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -20.869 0.591 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -19.680 1.119 -13.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -19.570 -0.427 -13.291 1.00 0.00 H new ATOM 137 N CYS A 10 -12.739 0.776 -9.376 1.00 0.00 N ATOM 138 CA CYS A 10 -11.302 0.571 -9.368 1.00 0.00 C ATOM 139 C CYS A 10 -10.781 0.095 -8.002 1.00 0.00 C ATOM 140 O CYS A 10 -9.585 0.208 -7.747 1.00 0.00 O ATOM 141 CB CYS A 10 -10.637 1.886 -9.805 1.00 0.00 C ATOM 142 SG CYS A 10 -11.263 2.419 -11.425 1.00 0.00 S ATOM 0 H CYS A 10 -13.020 1.560 -8.788 1.00 0.00 H new ATOM 0 HA CYS A 10 -11.048 -0.228 -10.064 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -10.830 2.661 -9.063 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -9.556 1.754 -9.854 1.00 0.00 H new ATOM 0 HG CYS A 10 -10.686 3.532 -11.768 1.00 0.00 H new ATOM 148 N THR A 11 -11.625 -0.422 -7.108 1.00 0.00 N ATOM 149 CA THR A 11 -11.308 -0.700 -5.702 1.00 0.00 C ATOM 150 C THR A 11 -9.969 -1.429 -5.512 1.00 0.00 C ATOM 151 O THR A 11 -8.994 -0.877 -4.978 1.00 0.00 O ATOM 152 CB THR A 11 -12.477 -1.496 -5.084 1.00 0.00 C ATOM 153 OG1 THR A 11 -12.800 -2.591 -5.917 1.00 0.00 O ATOM 154 CG2 THR A 11 -13.733 -0.641 -4.965 1.00 0.00 C ATOM 0 H THR A 11 -12.585 -0.669 -7.350 1.00 0.00 H new ATOM 0 HA THR A 11 -11.187 0.252 -5.186 1.00 0.00 H new ATOM 0 HB THR A 11 -12.157 -1.824 -4.095 1.00 0.00 H new ATOM 0 HG1 THR A 11 -13.541 -3.095 -5.521 1.00 0.00 H new ATOM 0 HG21 THR A 11 -14.536 -1.233 -4.526 1.00 0.00 H new ATOM 0 HG22 THR A 11 -13.528 0.220 -4.329 1.00 0.00 H new ATOM 0 HG23 THR A 11 -14.035 -0.298 -5.955 1.00 0.00 H new ATOM 162 N SER A 12 -9.889 -2.659 -5.995 1.00 0.00 N ATOM 163 CA SER A 12 -8.689 -3.478 -6.017 1.00 0.00 C ATOM 164 C SER A 12 -7.884 -3.248 -7.306 1.00 0.00 C ATOM 165 O SER A 12 -7.201 -4.144 -7.790 1.00 0.00 O ATOM 166 CB SER A 12 -9.201 -4.924 -5.941 1.00 0.00 C ATOM 167 OG SER A 12 -10.275 -5.099 -6.861 1.00 0.00 O ATOM 0 H SER A 12 -10.696 -3.134 -6.400 1.00 0.00 H new ATOM 0 HA SER A 12 -8.015 -3.236 -5.196 1.00 0.00 H new ATOM 0 HB2 SER A 12 -8.394 -5.619 -6.172 1.00 0.00 H new ATOM 0 HB3 SER A 12 -9.536 -5.149 -4.928 1.00 0.00 H new ATOM 0 HG SER A 12 -10.600 -6.022 -6.813 1.00 0.00 H new ATOM 173 N VAL A 13 -7.867 -2.022 -7.827 1.00 0.00 N ATOM 174 CA VAL A 13 -7.078 -1.568 -8.952 1.00 0.00 C ATOM 175 C VAL A 13 -6.185 -0.410 -8.502 1.00 0.00 C ATOM 176 O VAL A 13 -5.003 -0.416 -8.815 1.00 0.00 O ATOM 177 CB VAL A 13 -8.043 -1.287 -10.120 1.00 0.00 C ATOM 178 CG1 VAL A 13 -7.703 -0.025 -10.889 1.00 0.00 C ATOM 179 CG2 VAL A 13 -8.147 -2.506 -11.027 1.00 0.00 C ATOM 0 H VAL A 13 -8.446 -1.276 -7.442 1.00 0.00 H new ATOM 0 HA VAL A 13 -6.377 -2.314 -9.326 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.025 -1.098 -9.687 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -8.421 0.113 -11.697 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -7.743 0.832 -10.217 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.700 -0.112 -11.306 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.832 -2.292 -11.847 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.163 -2.745 -11.430 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -8.521 -3.355 -10.454 1.00 0.00 H new ATOM 189 N VAL A 14 -6.695 0.535 -7.687 1.00 0.00 N ATOM 190 CA VAL A 14 -5.975 1.750 -7.278 1.00 0.00 C ATOM 191 C VAL A 14 -4.625 1.499 -6.581 1.00 0.00 C ATOM 192 O VAL A 14 -3.906 2.451 -6.297 1.00 0.00 O ATOM 193 CB VAL A 14 -6.864 2.731 -6.497 1.00 0.00 C ATOM 194 CG1 VAL A 14 -8.153 3.145 -7.211 1.00 0.00 C ATOM 195 CG2 VAL A 14 -7.183 2.121 -5.154 1.00 0.00 C ATOM 0 H VAL A 14 -7.633 0.471 -7.291 1.00 0.00 H new ATOM 0 HA VAL A 14 -5.711 2.234 -8.218 1.00 0.00 H new ATOM 0 HB VAL A 14 -6.295 3.655 -6.396 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -8.712 3.837 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -7.906 3.631 -8.155 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -8.761 2.261 -7.406 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -7.814 2.804 -4.585 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -7.708 1.177 -5.299 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -6.257 1.941 -4.607 1.00 0.00 H new ATOM 205 N LEU A 15 -4.286 0.243 -6.263 1.00 0.00 N ATOM 206 CA LEU A 15 -3.004 -0.164 -5.697 1.00 0.00 C ATOM 207 C LEU A 15 -2.255 -1.175 -6.565 1.00 0.00 C ATOM 208 O LEU A 15 -1.027 -1.229 -6.539 1.00 0.00 O ATOM 209 CB LEU A 15 -3.258 -0.688 -4.290 1.00 0.00 C ATOM 210 CG LEU A 15 -1.991 -0.952 -3.469 1.00 0.00 C ATOM 211 CD1 LEU A 15 -1.022 0.237 -3.372 1.00 0.00 C ATOM 212 CD2 LEU A 15 -2.418 -1.311 -2.057 1.00 0.00 C ATOM 0 H LEU A 15 -4.923 -0.542 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.343 0.702 -5.659 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.878 0.031 -3.755 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.830 -1.613 -4.359 1.00 0.00 H new ATOM 0 HG LEU A 15 -1.454 -1.749 -3.983 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -0.157 -0.046 -2.772 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -0.693 0.521 -4.372 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -1.528 1.081 -2.903 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -1.535 -1.505 -1.448 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.982 -0.484 -1.626 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -3.044 -2.203 -2.082 1.00 0.00 H new ATOM 224 N LEU A 16 -2.977 -1.965 -7.353 1.00 0.00 N ATOM 225 CA LEU A 16 -2.411 -2.789 -8.420 1.00 0.00 C ATOM 226 C LEU A 16 -1.727 -1.875 -9.447 1.00 0.00 C ATOM 227 O LEU A 16 -0.625 -2.168 -9.898 1.00 0.00 O ATOM 228 CB LEU A 16 -3.507 -3.651 -9.056 1.00 0.00 C ATOM 229 CG LEU A 16 -3.893 -4.939 -8.290 1.00 0.00 C ATOM 230 CD1 LEU A 16 -3.138 -6.158 -8.812 1.00 0.00 C ATOM 231 CD2 LEU A 16 -3.780 -4.901 -6.749 1.00 0.00 C ATOM 0 H LEU A 16 -3.990 -2.053 -7.268 1.00 0.00 H new ATOM 0 HA LEU A 16 -1.661 -3.470 -8.016 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.402 -3.039 -9.170 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.184 -3.932 -10.058 1.00 0.00 H new ATOM 0 HG LEU A 16 -4.960 -5.015 -8.499 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -3.438 -7.041 -8.248 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -3.370 -6.305 -9.867 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -2.066 -6.000 -8.695 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.080 -5.865 -6.338 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.749 -4.690 -6.465 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -4.432 -4.121 -6.356 1.00 0.00 H new ATOM 243 N SER A 17 -2.300 -0.705 -9.722 1.00 0.00 N ATOM 244 CA SER A 17 -1.710 0.276 -10.624 1.00 0.00 C ATOM 245 C SER A 17 -0.667 1.160 -9.917 1.00 0.00 C ATOM 246 O SER A 17 -0.220 2.135 -10.519 1.00 0.00 O ATOM 247 CB SER A 17 -2.827 1.094 -11.301 1.00 0.00 C ATOM 248 OG SER A 17 -2.438 1.488 -12.607 1.00 0.00 O ATOM 0 H SER A 17 -3.191 -0.411 -9.322 1.00 0.00 H new ATOM 0 HA SER A 17 -1.159 -0.251 -11.403 1.00 0.00 H new ATOM 0 HB2 SER A 17 -3.740 0.500 -11.351 1.00 0.00 H new ATOM 0 HB3 SER A 17 -3.053 1.976 -10.702 1.00 0.00 H new ATOM 0 HG SER A 17 -3.160 2.005 -13.022 1.00 0.00 H new ATOM 254 N VAL A 18 -0.367 0.950 -8.623 1.00 0.00 N ATOM 255 CA VAL A 18 0.544 1.824 -7.867 1.00 0.00 C ATOM 256 C VAL A 18 1.762 1.120 -7.254 1.00 0.00 C ATOM 257 O VAL A 18 2.778 1.790 -7.063 1.00 0.00 O ATOM 258 CB VAL A 18 -0.280 2.668 -6.861 1.00 0.00 C ATOM 259 CG1 VAL A 18 0.535 3.667 -6.029 1.00 0.00 C ATOM 260 CG2 VAL A 18 -1.355 3.487 -7.592 1.00 0.00 C ATOM 0 H VAL A 18 -0.746 0.176 -8.077 1.00 0.00 H new ATOM 0 HA VAL A 18 1.019 2.500 -8.578 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.702 1.925 -6.184 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -0.130 4.208 -5.356 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.283 3.130 -5.445 1.00 0.00 H new ATOM 0 HG13 VAL A 18 1.032 4.373 -6.694 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -1.922 4.072 -6.868 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -0.878 4.158 -8.307 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -2.029 2.813 -8.121 1.00 0.00 H new ATOM 270 N LEU A 19 1.700 -0.169 -6.911 1.00 0.00 N ATOM 271 CA LEU A 19 2.743 -0.811 -6.097 1.00 0.00 C ATOM 272 C LEU A 19 3.381 -1.962 -6.849 1.00 0.00 C ATOM 273 O LEU A 19 4.502 -1.820 -7.319 1.00 0.00 O ATOM 274 CB LEU A 19 2.195 -1.207 -4.717 1.00 0.00 C ATOM 275 CG LEU A 19 2.931 -0.589 -3.522 1.00 0.00 C ATOM 276 CD1 LEU A 19 4.320 -1.189 -3.292 1.00 0.00 C ATOM 277 CD2 LEU A 19 2.998 0.938 -3.538 1.00 0.00 C ATOM 0 H LEU A 19 0.939 -0.792 -7.183 1.00 0.00 H new ATOM 0 HA LEU A 19 3.541 -0.093 -5.909 1.00 0.00 H new ATOM 0 HB2 LEU A 19 1.145 -0.920 -4.665 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.234 -2.292 -4.626 1.00 0.00 H new ATOM 0 HG LEU A 19 2.304 -0.860 -2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 19 4.786 -0.708 -2.432 1.00 0.00 H new ATOM 0 HD12 LEU A 19 4.228 -2.259 -3.103 1.00 0.00 H new ATOM 0 HD13 LEU A 19 4.937 -1.028 -4.176 1.00 0.00 H new ATOM 0 HD21 LEU A 19 3.535 1.288 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 19 3.519 1.270 -4.436 1.00 0.00 H new ATOM 0 HD23 LEU A 19 1.987 1.347 -3.533 1.00 0.00 H new ATOM 289 N GLN A 20 2.661 -3.070 -7.037 1.00 0.00 N ATOM 290 CA GLN A 20 3.019 -4.148 -7.942 1.00 0.00 C ATOM 291 C GLN A 20 3.303 -3.691 -9.368 1.00 0.00 C ATOM 292 O GLN A 20 3.859 -4.442 -10.158 1.00 0.00 O ATOM 293 CB GLN A 20 1.850 -5.127 -7.898 1.00 0.00 C ATOM 294 CG GLN A 20 0.676 -4.813 -8.805 1.00 0.00 C ATOM 295 CD GLN A 20 0.785 -5.326 -10.248 1.00 0.00 C ATOM 296 OE1 GLN A 20 0.822 -6.534 -10.481 1.00 0.00 O ATOM 297 NE2 GLN A 20 0.734 -4.429 -11.221 1.00 0.00 N ATOM 0 H GLN A 20 1.785 -3.241 -6.544 1.00 0.00 H new ATOM 0 HA GLN A 20 3.956 -4.602 -7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 20 2.224 -6.118 -8.154 1.00 0.00 H new ATOM 0 HB3 GLN A 20 1.485 -5.179 -6.872 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -0.225 -5.233 -8.358 1.00 0.00 H new ATOM 0 HG3 GLN A 20 0.544 -3.731 -8.834 1.00 0.00 H new ATOM 0 HE21 GLN A 20 0.704 -3.434 -10.997 1.00 0.00 H new ATOM 0 HE22 GLN A 20 0.724 -4.733 -12.195 1.00 0.00 H new ATOM 306 N GLN A 21 2.857 -2.477 -9.690 1.00 0.00 N ATOM 307 CA GLN A 21 3.073 -1.816 -10.961 1.00 0.00 C ATOM 308 C GLN A 21 4.571 -1.768 -11.325 1.00 0.00 C ATOM 309 O GLN A 21 4.909 -1.695 -12.506 1.00 0.00 O ATOM 310 CB GLN A 21 2.490 -0.407 -10.830 1.00 0.00 C ATOM 311 CG GLN A 21 2.238 0.274 -12.178 1.00 0.00 C ATOM 312 CD GLN A 21 2.670 1.738 -12.182 1.00 0.00 C ATOM 313 OE1 GLN A 21 2.650 2.441 -11.175 1.00 0.00 O ATOM 314 NE2 GLN A 21 3.085 2.236 -13.327 1.00 0.00 N ATOM 0 H GLN A 21 2.313 -1.910 -9.040 1.00 0.00 H new ATOM 0 HA GLN A 21 2.584 -2.365 -11.766 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.552 -0.460 -10.277 1.00 0.00 H new ATOM 0 HB3 GLN A 21 3.172 0.207 -10.243 1.00 0.00 H new ATOM 0 HG2 GLN A 21 2.777 -0.263 -12.959 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.177 0.211 -12.421 1.00 0.00 H new ATOM 0 HE21 GLN A 21 3.101 1.650 -14.162 1.00 0.00 H new ATOM 0 HE22 GLN A 21 3.391 3.208 -13.380 1.00 0.00 H new ATOM 323 N LEU A 22 5.447 -1.824 -10.315 1.00 0.00 N ATOM 324 CA LEU A 22 6.829 -2.273 -10.406 1.00 0.00 C ATOM 325 C LEU A 22 7.101 -3.140 -9.177 1.00 0.00 C ATOM 326 O LEU A 22 7.217 -4.356 -9.285 1.00 0.00 O ATOM 327 CB LEU A 22 7.812 -1.095 -10.482 1.00 0.00 C ATOM 328 CG LEU A 22 7.928 -0.493 -11.898 1.00 0.00 C ATOM 329 CD1 LEU A 22 7.390 0.941 -11.952 1.00 0.00 C ATOM 330 CD2 LEU A 22 9.384 -0.542 -12.355 1.00 0.00 C ATOM 0 H LEU A 22 5.192 -1.542 -9.368 1.00 0.00 H new ATOM 0 HA LEU A 22 6.976 -2.843 -11.323 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.492 -0.317 -9.788 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.796 -1.429 -10.154 1.00 0.00 H new ATOM 0 HG LEU A 22 7.316 -1.089 -12.575 1.00 0.00 H new ATOM 0 HD11 LEU A 22 7.490 1.329 -12.966 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.339 0.946 -11.663 1.00 0.00 H new ATOM 0 HD13 LEU A 22 7.958 1.569 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 22 9.466 -0.117 -13.355 1.00 0.00 H new ATOM 0 HD22 LEU A 22 10.002 0.033 -11.665 1.00 0.00 H new ATOM 0 HD23 LEU A 22 9.725 -1.577 -12.372 1.00 0.00 H new ATOM 342 N ARG A 23 7.194 -2.506 -8.003 1.00 0.00 N ATOM 343 CA ARG A 23 7.798 -3.030 -6.777 1.00 0.00 C ATOM 344 C ARG A 23 7.461 -4.487 -6.474 1.00 0.00 C ATOM 345 O ARG A 23 8.325 -5.347 -6.613 1.00 0.00 O ATOM 346 CB ARG A 23 7.446 -2.159 -5.562 1.00 0.00 C ATOM 347 CG ARG A 23 7.931 -0.713 -5.621 1.00 0.00 C ATOM 348 CD ARG A 23 6.911 0.307 -6.146 1.00 0.00 C ATOM 349 NE ARG A 23 7.355 1.680 -5.859 1.00 0.00 N ATOM 350 CZ ARG A 23 7.425 2.267 -4.656 1.00 0.00 C ATOM 351 NH1 ARG A 23 6.870 1.710 -3.581 1.00 0.00 N ATOM 352 NH2 ARG A 23 8.060 3.420 -4.505 1.00 0.00 N ATOM 0 H ARG A 23 6.829 -1.562 -7.878 1.00 0.00 H new ATOM 0 HA ARG A 23 8.871 -2.993 -6.966 1.00 0.00 H new ATOM 0 HB2 ARG A 23 6.363 -2.155 -5.443 1.00 0.00 H new ATOM 0 HB3 ARG A 23 7.863 -2.627 -4.670 1.00 0.00 H new ATOM 0 HG2 ARG A 23 8.238 -0.410 -4.620 1.00 0.00 H new ATOM 0 HG3 ARG A 23 8.818 -0.671 -6.253 1.00 0.00 H new ATOM 0 HD2 ARG A 23 6.781 0.179 -7.221 1.00 0.00 H new ATOM 0 HD3 ARG A 23 5.940 0.129 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 23 7.639 2.244 -6.660 1.00 0.00 H new ATOM 0 HH11 ARG A 23 6.380 0.819 -3.664 1.00 0.00 H new ATOM 0 HH12 ARG A 23 6.935 2.174 -2.675 1.00 0.00 H new ATOM 0 HH21 ARG A 23 8.501 3.868 -5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 23 8.108 3.859 -3.586 1.00 0.00 H new ATOM 366 N VAL A 24 6.248 -4.745 -5.983 1.00 0.00 N ATOM 367 CA VAL A 24 5.823 -6.057 -5.505 1.00 0.00 C ATOM 368 C VAL A 24 5.341 -6.853 -6.708 1.00 0.00 C ATOM 369 O VAL A 24 4.147 -7.026 -6.962 1.00 0.00 O ATOM 370 CB VAL A 24 4.855 -5.944 -4.314 1.00 0.00 C ATOM 371 CG1 VAL A 24 3.703 -4.973 -4.571 1.00 0.00 C ATOM 372 CG2 VAL A 24 4.300 -7.296 -3.844 1.00 0.00 C ATOM 0 H VAL A 24 5.522 -4.033 -5.906 1.00 0.00 H new ATOM 0 HA VAL A 24 6.648 -6.622 -5.071 1.00 0.00 H new ATOM 0 HB VAL A 24 5.470 -5.541 -3.510 1.00 0.00 H new ATOM 0 HG11 VAL A 24 3.055 -4.937 -3.695 1.00 0.00 H new ATOM 0 HG12 VAL A 24 4.103 -3.978 -4.768 1.00 0.00 H new ATOM 0 HG13 VAL A 24 3.128 -5.310 -5.434 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.625 -7.140 -3.002 1.00 0.00 H new ATOM 0 HG22 VAL A 24 3.757 -7.770 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 24 5.123 -7.939 -3.534 1.00 0.00 H new ATOM 382 N GLU A 25 6.328 -7.271 -7.474 1.00 0.00 N ATOM 383 CA GLU A 25 6.240 -8.024 -8.705 1.00 0.00 C ATOM 384 C GLU A 25 5.357 -9.272 -8.509 1.00 0.00 C ATOM 385 O GLU A 25 5.172 -9.723 -7.373 1.00 0.00 O ATOM 386 CB GLU A 25 7.674 -8.305 -9.137 1.00 0.00 C ATOM 387 CG GLU A 25 7.864 -8.672 -10.602 1.00 0.00 C ATOM 388 CD GLU A 25 7.388 -7.565 -11.537 1.00 0.00 C ATOM 389 OE1 GLU A 25 6.191 -7.616 -11.896 1.00 0.00 O ATOM 390 OE2 GLU A 25 8.215 -6.710 -11.919 1.00 0.00 O ATOM 0 H GLU A 25 7.298 -7.074 -7.227 1.00 0.00 H new ATOM 0 HA GLU A 25 5.745 -7.478 -9.508 1.00 0.00 H new ATOM 0 HB2 GLU A 25 8.278 -7.424 -8.921 1.00 0.00 H new ATOM 0 HB3 GLU A 25 8.066 -9.117 -8.525 1.00 0.00 H new ATOM 0 HG2 GLU A 25 8.918 -8.877 -10.790 1.00 0.00 H new ATOM 0 HG3 GLU A 25 7.317 -9.590 -10.819 1.00 0.00 H new ATOM 397 N SER A 26 4.778 -9.807 -9.591 1.00 0.00 N ATOM 398 CA SER A 26 3.536 -10.586 -9.540 1.00 0.00 C ATOM 399 C SER A 26 3.525 -11.681 -8.465 1.00 0.00 C ATOM 400 O SER A 26 4.500 -12.421 -8.289 1.00 0.00 O ATOM 401 CB SER A 26 3.213 -11.189 -10.911 1.00 0.00 C ATOM 402 OG SER A 26 1.810 -11.301 -11.062 1.00 0.00 O ATOM 0 H SER A 26 5.161 -9.711 -10.532 1.00 0.00 H new ATOM 0 HA SER A 26 2.760 -9.875 -9.257 1.00 0.00 H new ATOM 0 HB2 SER A 26 3.625 -10.562 -11.702 1.00 0.00 H new ATOM 0 HB3 SER A 26 3.679 -12.170 -11.007 1.00 0.00 H new ATOM 0 HG SER A 26 1.605 -11.685 -11.940 1.00 0.00 H new ATOM 408 N SER A 27 2.404 -11.788 -7.759 1.00 0.00 N ATOM 409 CA SER A 27 2.104 -12.770 -6.732 1.00 0.00 C ATOM 410 C SER A 27 0.583 -12.748 -6.529 1.00 0.00 C ATOM 411 O SER A 27 -0.110 -11.970 -7.181 1.00 0.00 O ATOM 412 CB SER A 27 2.847 -12.356 -5.454 1.00 0.00 C ATOM 413 OG SER A 27 2.859 -13.384 -4.483 1.00 0.00 O ATOM 0 H SER A 27 1.628 -11.142 -7.903 1.00 0.00 H new ATOM 0 HA SER A 27 2.419 -13.778 -7.002 1.00 0.00 H new ATOM 0 HB2 SER A 27 3.872 -12.084 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 27 2.375 -11.468 -5.034 1.00 0.00 H new ATOM 0 HG SER A 27 3.343 -13.078 -3.688 1.00 0.00 H new ATOM 419 N SER A 28 0.056 -13.542 -5.596 1.00 0.00 N ATOM 420 CA SER A 28 -1.314 -13.438 -5.101 1.00 0.00 C ATOM 421 C SER A 28 -1.471 -14.089 -3.718 1.00 0.00 C ATOM 422 O SER A 28 -2.541 -14.605 -3.376 1.00 0.00 O ATOM 423 CB SER A 28 -2.290 -13.974 -6.155 1.00 0.00 C ATOM 424 OG SER A 28 -1.916 -15.212 -6.732 1.00 0.00 O ATOM 0 H SER A 28 0.585 -14.294 -5.154 1.00 0.00 H new ATOM 0 HA SER A 28 -1.562 -12.388 -4.944 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.273 -14.084 -5.697 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.389 -13.234 -6.949 1.00 0.00 H new ATOM 0 HG SER A 28 -2.590 -15.483 -7.390 1.00 0.00 H new ATOM 430 N LYS A 29 -0.403 -14.112 -2.908 1.00 0.00 N ATOM 431 CA LYS A 29 -0.412 -14.810 -1.625 1.00 0.00 C ATOM 432 C LYS A 29 -0.542 -13.805 -0.480 1.00 0.00 C ATOM 433 O LYS A 29 -1.609 -13.255 -0.220 1.00 0.00 O ATOM 434 CB LYS A 29 0.836 -15.726 -1.551 1.00 0.00 C ATOM 435 CG LYS A 29 0.629 -16.983 -0.696 1.00 0.00 C ATOM 436 CD LYS A 29 -0.245 -18.042 -1.378 1.00 0.00 C ATOM 437 CE LYS A 29 0.348 -18.512 -2.713 1.00 0.00 C ATOM 438 NZ LYS A 29 -0.530 -19.484 -3.385 1.00 0.00 N ATOM 0 H LYS A 29 0.480 -13.651 -3.125 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.281 -15.461 -1.527 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.116 -16.026 -2.561 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.671 -15.155 -1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 29 1.600 -17.419 -0.462 1.00 0.00 H new ATOM 0 HG3 LYS A 29 0.171 -16.699 0.251 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.361 -18.898 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.241 -17.633 -1.549 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.505 -17.652 -3.364 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.325 -18.963 -2.539 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -0.097 -19.779 -4.283 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.660 -20.315 -2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.454 -19.045 -3.573 1.00 0.00 H new ATOM 452 N LEU A 30 0.568 -13.498 0.170 1.00 0.00 N ATOM 453 CA LEU A 30 0.636 -12.740 1.399 1.00 0.00 C ATOM 454 C LEU A 30 0.567 -11.245 1.081 1.00 0.00 C ATOM 455 O LEU A 30 -0.023 -10.487 1.846 1.00 0.00 O ATOM 456 CB LEU A 30 1.870 -13.268 2.165 1.00 0.00 C ATOM 457 CG LEU A 30 2.756 -12.330 2.988 1.00 0.00 C ATOM 458 CD1 LEU A 30 3.524 -11.365 2.076 1.00 0.00 C ATOM 459 CD2 LEU A 30 2.002 -11.686 4.154 1.00 0.00 C ATOM 0 H LEU A 30 1.488 -13.786 -0.164 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.210 -12.873 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.515 -14.045 2.842 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.515 -13.753 1.433 1.00 0.00 H new ATOM 0 HG LEU A 30 3.525 -12.919 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.147 -10.708 2.683 1.00 0.00 H new ATOM 0 HD12 LEU A 30 4.155 -11.934 1.393 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.817 -10.766 1.502 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.676 -11.030 4.705 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.164 -11.104 3.769 1.00 0.00 H new ATOM 0 HD23 LEU A 30 1.628 -12.464 4.819 1.00 0.00 H new ATOM 471 N TRP A 31 1.064 -10.798 -0.079 1.00 0.00 N ATOM 472 CA TRP A 31 0.919 -9.394 -0.447 1.00 0.00 C ATOM 473 C TRP A 31 -0.571 -9.056 -0.609 1.00 0.00 C ATOM 474 O TRP A 31 -1.042 -8.019 -0.133 1.00 0.00 O ATOM 475 CB TRP A 31 1.693 -9.074 -1.738 1.00 0.00 C ATOM 476 CG TRP A 31 1.085 -8.077 -2.691 1.00 0.00 C ATOM 477 CD1 TRP A 31 1.108 -6.728 -2.581 1.00 0.00 C ATOM 478 CD2 TRP A 31 0.308 -8.348 -3.896 1.00 0.00 C ATOM 479 NE1 TRP A 31 0.542 -6.157 -3.709 1.00 0.00 N ATOM 480 CE2 TRP A 31 0.016 -7.112 -4.541 1.00 0.00 C ATOM 481 CE3 TRP A 31 -0.216 -9.513 -4.491 1.00 0.00 C ATOM 482 CZ2 TRP A 31 -0.699 -7.036 -5.743 1.00 0.00 C ATOM 483 CZ3 TRP A 31 -0.980 -9.439 -5.670 1.00 0.00 C ATOM 484 CH2 TRP A 31 -1.188 -8.213 -6.318 1.00 0.00 C ATOM 0 H TRP A 31 1.557 -11.375 -0.760 1.00 0.00 H new ATOM 0 HA TRP A 31 1.341 -8.780 0.348 1.00 0.00 H new ATOM 0 HB2 TRP A 31 2.680 -8.709 -1.455 1.00 0.00 H new ATOM 0 HB3 TRP A 31 1.842 -10.008 -2.280 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.507 -6.180 -1.741 1.00 0.00 H new ATOM 0 HE1 TRP A 31 0.519 -5.155 -3.897 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -0.029 -10.475 -4.036 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -0.870 -6.082 -6.219 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -1.412 -10.339 -6.082 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -1.723 -8.178 -7.256 1.00 0.00 H new ATOM 495 N ALA A 32 -1.315 -9.944 -1.284 1.00 0.00 N ATOM 496 CA ALA A 32 -2.753 -9.819 -1.516 1.00 0.00 C ATOM 497 C ALA A 32 -3.475 -9.694 -0.171 1.00 0.00 C ATOM 498 O ALA A 32 -4.326 -8.813 0.005 1.00 0.00 O ATOM 499 CB ALA A 32 -3.268 -11.002 -2.346 1.00 0.00 C ATOM 0 H ALA A 32 -0.918 -10.790 -1.693 1.00 0.00 H new ATOM 0 HA ALA A 32 -2.958 -8.917 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -4.340 -10.893 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.755 -11.023 -3.307 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -3.075 -11.932 -1.812 1.00 0.00 H new ATOM 505 N GLN A 33 -3.032 -10.454 0.820 1.00 0.00 N ATOM 506 CA GLN A 33 -3.403 -10.354 2.215 1.00 0.00 C ATOM 507 C GLN A 33 -3.202 -8.956 2.854 1.00 0.00 C ATOM 508 O GLN A 33 -3.471 -8.832 4.048 1.00 0.00 O ATOM 509 CB GLN A 33 -2.699 -11.474 3.002 1.00 0.00 C ATOM 510 CG GLN A 33 -3.633 -12.174 3.992 1.00 0.00 C ATOM 511 CD GLN A 33 -3.108 -12.138 5.423 1.00 0.00 C ATOM 512 OE1 GLN A 33 -2.834 -13.175 6.020 1.00 0.00 O ATOM 513 NE2 GLN A 33 -2.975 -10.958 6.004 1.00 0.00 N ATOM 0 H GLN A 33 -2.361 -11.204 0.655 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.483 -10.489 2.267 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -2.300 -12.209 2.303 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.850 -11.055 3.543 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -4.614 -11.700 3.957 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.769 -13.211 3.685 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -3.208 -10.108 5.491 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.639 -10.898 6.965 1.00 0.00 H new ATOM 522 N CYS A 34 -2.725 -7.914 2.160 1.00 0.00 N ATOM 523 CA CYS A 34 -2.609 -6.558 2.658 1.00 0.00 C ATOM 524 C CYS A 34 -3.180 -5.612 1.645 1.00 0.00 C ATOM 525 O CYS A 34 -3.702 -4.562 2.021 1.00 0.00 O ATOM 526 CB CYS A 34 -1.162 -6.185 2.934 1.00 0.00 C ATOM 527 SG CYS A 34 -0.457 -7.256 4.216 1.00 0.00 S ATOM 0 H CYS A 34 -2.399 -8.008 1.198 1.00 0.00 H new ATOM 0 HA CYS A 34 -3.159 -6.492 3.597 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -0.578 -6.273 2.018 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -1.104 -5.144 3.251 1.00 0.00 H new ATOM 0 HG CYS A 34 -1.357 -8.104 4.616 1.00 0.00 H new ATOM 533 N VAL A 35 -3.208 -6.024 0.378 1.00 0.00 N ATOM 534 CA VAL A 35 -4.008 -5.317 -0.563 1.00 0.00 C ATOM 535 C VAL A 35 -5.471 -5.260 -0.090 1.00 0.00 C ATOM 536 O VAL A 35 -6.049 -4.181 -0.129 1.00 0.00 O ATOM 537 CB VAL A 35 -3.781 -5.793 -1.993 1.00 0.00 C ATOM 538 CG1 VAL A 35 -2.326 -6.052 -2.372 1.00 0.00 C ATOM 539 CG2 VAL A 35 -4.726 -6.813 -2.633 1.00 0.00 C ATOM 0 H VAL A 35 -2.694 -6.823 0.007 1.00 0.00 H new ATOM 0 HA VAL A 35 -3.685 -4.277 -0.604 1.00 0.00 H new ATOM 0 HB VAL A 35 -4.111 -4.871 -2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.274 -6.386 -3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.751 -5.133 -2.258 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.912 -6.822 -1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.398 -7.024 -3.651 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -4.716 -7.734 -2.050 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.738 -6.408 -2.654 1.00 0.00 H new ATOM 549 N GLN A 36 -6.010 -6.342 0.480 1.00 0.00 N ATOM 550 CA GLN A 36 -7.353 -6.451 1.081 1.00 0.00 C ATOM 551 C GLN A 36 -7.684 -5.449 2.208 1.00 0.00 C ATOM 552 O GLN A 36 -8.817 -5.431 2.691 1.00 0.00 O ATOM 553 CB GLN A 36 -7.543 -7.875 1.628 1.00 0.00 C ATOM 554 CG GLN A 36 -6.497 -8.255 2.696 1.00 0.00 C ATOM 555 CD GLN A 36 -7.074 -9.090 3.837 1.00 0.00 C ATOM 556 OE1 GLN A 36 -6.903 -8.674 5.081 1.00 0.00 O flip ATOM 557 NE2 GLN A 36 -7.642 -10.154 3.628 1.00 0.00 N flip ATOM 0 H GLN A 36 -5.494 -7.220 0.540 1.00 0.00 H new ATOM 0 HA GLN A 36 -8.038 -6.207 0.269 1.00 0.00 H new ATOM 0 HB2 GLN A 36 -8.541 -7.963 2.057 1.00 0.00 H new ATOM 0 HB3 GLN A 36 -7.487 -8.586 0.803 1.00 0.00 H new ATOM 0 HG2 GLN A 36 -5.689 -8.811 2.221 1.00 0.00 H new ATOM 0 HG3 GLN A 36 -6.060 -7.345 3.106 1.00 0.00 H new ATOM 0 HE21 GLN A 36 -7.777 -10.481 2.671 1.00 0.00 H new ATOM 0 HE22 GLN A 36 -7.980 -10.714 4.411 1.00 0.00 H new ATOM 566 N LEU A 37 -6.713 -4.669 2.691 1.00 0.00 N ATOM 567 CA LEU A 37 -6.909 -3.595 3.654 1.00 0.00 C ATOM 568 C LEU A 37 -6.724 -2.237 3.004 1.00 0.00 C ATOM 569 O LEU A 37 -7.310 -1.277 3.488 1.00 0.00 O ATOM 570 CB LEU A 37 -5.938 -3.764 4.845 1.00 0.00 C ATOM 571 CG LEU A 37 -6.609 -4.266 6.137 1.00 0.00 C ATOM 572 CD1 LEU A 37 -7.423 -3.168 6.831 1.00 0.00 C ATOM 573 CD2 LEU A 37 -7.484 -5.489 5.850 1.00 0.00 C ATOM 0 H LEU A 37 -5.738 -4.776 2.410 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.933 -3.651 4.024 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.151 -4.463 4.562 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -5.457 -2.807 5.046 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.813 -4.557 6.822 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.877 -3.569 7.737 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -6.766 -2.338 7.091 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -8.205 -2.815 6.159 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -7.949 -5.829 6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -8.259 -5.222 5.131 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.868 -6.289 5.439 1.00 0.00 H new ATOM 585 N HIS A 38 -5.943 -2.096 1.927 1.00 0.00 N ATOM 586 CA HIS A 38 -5.642 -0.777 1.366 1.00 0.00 C ATOM 587 C HIS A 38 -6.904 0.005 0.988 1.00 0.00 C ATOM 588 O HIS A 38 -6.911 1.224 1.069 1.00 0.00 O ATOM 589 CB HIS A 38 -4.724 -0.885 0.157 1.00 0.00 C ATOM 590 CG HIS A 38 -5.441 -0.950 -1.181 1.00 0.00 C ATOM 591 ND1 HIS A 38 -5.929 -2.082 -1.800 1.00 0.00 N ATOM 592 CD2 HIS A 38 -5.828 0.131 -1.927 1.00 0.00 C ATOM 593 CE1 HIS A 38 -6.562 -1.700 -2.917 1.00 0.00 C ATOM 594 NE2 HIS A 38 -6.548 -0.356 -3.006 1.00 0.00 N ATOM 0 H HIS A 38 -5.511 -2.875 1.430 1.00 0.00 H new ATOM 0 HA HIS A 38 -5.131 -0.224 2.155 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -4.050 -0.028 0.152 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -4.105 -1.776 0.266 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -5.826 -3.040 -1.466 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -5.613 1.168 -1.714 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -7.014 -2.367 -3.636 1.00 0.00 H new ATOM 603 N ASN A 39 -7.923 -0.704 0.501 1.00 0.00 N ATOM 604 CA ASN A 39 -9.271 -0.259 0.149 1.00 0.00 C ATOM 605 C ASN A 39 -9.955 0.343 1.371 1.00 0.00 C ATOM 606 O ASN A 39 -10.584 1.405 1.326 1.00 0.00 O ATOM 607 CB ASN A 39 -10.098 -1.447 -0.401 1.00 0.00 C ATOM 608 CG ASN A 39 -10.114 -2.698 0.488 1.00 0.00 C ATOM 609 OD1 ASN A 39 -9.146 -2.973 1.193 1.00 0.00 O ATOM 610 ND2 ASN A 39 -11.154 -3.502 0.456 1.00 0.00 N ATOM 0 H ASN A 39 -7.813 -1.703 0.326 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.202 0.504 -0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -11.125 -1.115 -0.552 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -9.704 -1.721 -1.380 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -11.157 -4.354 1.017 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -11.957 -3.273 -0.129 1.00 0.00 H new ATOM 617 N ASP A 40 -9.776 -0.304 2.508 1.00 0.00 N ATOM 618 CA ASP A 40 -10.285 0.165 3.777 1.00 0.00 C ATOM 619 C ASP A 40 -9.472 1.359 4.269 1.00 0.00 C ATOM 620 O ASP A 40 -10.041 2.333 4.755 1.00 0.00 O ATOM 621 CB ASP A 40 -10.342 -1.000 4.757 1.00 0.00 C ATOM 622 CG ASP A 40 -11.747 -1.286 5.257 1.00 0.00 C ATOM 623 OD1 ASP A 40 -12.462 -2.061 4.575 1.00 0.00 O ATOM 624 OD2 ASP A 40 -12.075 -0.872 6.390 1.00 0.00 O ATOM 0 H ASP A 40 -9.264 -1.184 2.573 1.00 0.00 H new ATOM 0 HA ASP A 40 -11.305 0.534 3.671 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -9.945 -1.893 4.275 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -9.696 -0.784 5.608 1.00 0.00 H new ATOM 629 N ILE A 41 -8.159 1.360 4.033 1.00 0.00 N ATOM 630 CA ILE A 41 -7.304 2.483 4.382 1.00 0.00 C ATOM 631 C ILE A 41 -7.766 3.795 3.715 1.00 0.00 C ATOM 632 O ILE A 41 -7.472 4.836 4.280 1.00 0.00 O ATOM 633 CB ILE A 41 -5.803 2.141 4.156 1.00 0.00 C ATOM 634 CG1 ILE A 41 -5.148 1.412 5.362 1.00 0.00 C ATOM 635 CG2 ILE A 41 -4.945 3.379 3.963 1.00 0.00 C ATOM 636 CD1 ILE A 41 -5.319 -0.099 5.396 1.00 0.00 C ATOM 0 H ILE A 41 -7.665 0.582 3.596 1.00 0.00 H new ATOM 0 HA ILE A 41 -7.405 2.668 5.451 1.00 0.00 H new ATOM 0 HB ILE A 41 -5.827 1.509 3.269 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -4.082 1.638 5.363 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -5.562 1.826 6.281 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -3.907 3.082 3.809 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -5.296 3.933 3.093 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -5.014 4.011 4.848 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -4.823 -0.502 6.279 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -6.380 -0.344 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -4.877 -0.535 4.501 1.00 0.00 H new ATOM 648 N LEU A 42 -8.531 3.830 2.603 1.00 0.00 N ATOM 649 CA LEU A 42 -8.894 5.115 1.984 1.00 0.00 C ATOM 650 C LEU A 42 -9.673 6.058 2.905 1.00 0.00 C ATOM 651 O LEU A 42 -9.752 7.242 2.597 1.00 0.00 O ATOM 652 CB LEU A 42 -9.649 4.983 0.650 1.00 0.00 C ATOM 653 CG LEU A 42 -8.839 4.549 -0.585 1.00 0.00 C ATOM 654 CD1 LEU A 42 -7.358 4.953 -0.575 1.00 0.00 C ATOM 655 CD2 LEU A 42 -8.944 3.042 -0.696 1.00 0.00 C ATOM 0 H LEU A 42 -8.899 3.005 2.129 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.919 5.559 1.783 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -10.458 4.266 0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.111 5.945 0.428 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.268 5.072 -1.440 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -6.878 4.600 -1.488 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.277 6.039 -0.519 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.865 4.508 0.289 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -8.379 2.701 -1.564 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.538 2.582 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.990 2.758 -0.809 1.00 0.00 H new ATOM 667 N LEU A 43 -10.249 5.541 3.992 1.00 0.00 N ATOM 668 CA LEU A 43 -10.913 6.251 5.073 1.00 0.00 C ATOM 669 C LEU A 43 -10.205 5.940 6.386 1.00 0.00 C ATOM 670 O LEU A 43 -10.806 5.411 7.329 1.00 0.00 O ATOM 671 CB LEU A 43 -12.395 5.877 5.095 1.00 0.00 C ATOM 672 CG LEU A 43 -13.163 6.269 3.825 1.00 0.00 C ATOM 673 CD1 LEU A 43 -14.634 5.936 4.029 1.00 0.00 C ATOM 674 CD2 LEU A 43 -12.961 7.742 3.522 1.00 0.00 C ATOM 0 H LEU A 43 -10.261 4.533 4.146 1.00 0.00 H new ATOM 0 HA LEU A 43 -10.858 7.329 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.484 4.801 5.242 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.866 6.356 5.953 1.00 0.00 H new ATOM 0 HG LEU A 43 -12.788 5.710 2.968 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -15.196 6.208 3.136 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -14.743 4.867 4.215 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -15.018 6.494 4.883 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -13.511 8.006 2.619 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -13.327 8.339 4.358 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -11.900 7.940 3.372 1.00 0.00 H new ATOM 686 N ALA A 44 -8.911 6.244 6.430 1.00 0.00 N ATOM 687 CA ALA A 44 -8.092 6.050 7.616 1.00 0.00 C ATOM 688 C ALA A 44 -7.587 7.415 8.061 1.00 0.00 C ATOM 689 O ALA A 44 -6.747 8.000 7.382 1.00 0.00 O ATOM 690 CB ALA A 44 -6.918 5.120 7.318 1.00 0.00 C ATOM 0 H ALA A 44 -8.401 6.634 5.637 1.00 0.00 H new ATOM 0 HA ALA A 44 -8.683 5.587 8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -6.319 4.989 8.219 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -7.295 4.152 6.990 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -6.300 5.554 6.532 1.00 0.00 H new ATOM 696 N LYS A 45 -8.093 7.932 9.180 1.00 0.00 N ATOM 697 CA LYS A 45 -7.871 9.288 9.682 1.00 0.00 C ATOM 698 C LYS A 45 -8.571 10.300 8.787 1.00 0.00 C ATOM 699 O LYS A 45 -9.522 10.940 9.239 1.00 0.00 O ATOM 700 CB LYS A 45 -6.373 9.580 9.928 1.00 0.00 C ATOM 701 CG LYS A 45 -6.071 10.783 10.832 1.00 0.00 C ATOM 702 CD LYS A 45 -6.479 12.124 10.211 1.00 0.00 C ATOM 703 CE LYS A 45 -5.808 13.323 10.873 1.00 0.00 C ATOM 704 NZ LYS A 45 -4.412 13.478 10.427 1.00 0.00 N ATOM 0 H LYS A 45 -8.700 7.388 9.793 1.00 0.00 H new ATOM 0 HA LYS A 45 -8.327 9.381 10.668 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -5.916 8.694 10.368 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -5.890 9.742 8.964 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -6.592 10.656 11.781 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.004 10.803 11.055 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.229 12.116 9.150 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -7.561 12.236 10.283 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -6.368 14.229 10.640 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.833 13.203 11.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -3.858 13.941 11.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -4.006 12.542 10.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -4.385 14.061 9.566 1.00 0.00 H new ATOM 718 N ASP A 46 -8.097 10.466 7.562 1.00 0.00 N ATOM 719 CA ASP A 46 -8.524 11.477 6.596 1.00 0.00 C ATOM 720 C ASP A 46 -7.968 11.098 5.223 1.00 0.00 C ATOM 721 O ASP A 46 -7.033 10.302 5.145 1.00 0.00 O ATOM 722 CB ASP A 46 -7.970 12.853 6.997 1.00 0.00 C ATOM 723 CG ASP A 46 -8.821 14.031 6.533 1.00 0.00 C ATOM 724 OD1 ASP A 46 -9.404 14.008 5.424 1.00 0.00 O ATOM 725 OD2 ASP A 46 -8.973 14.995 7.315 1.00 0.00 O ATOM 0 H ASP A 46 -7.361 9.866 7.190 1.00 0.00 H new ATOM 0 HA ASP A 46 -9.613 11.524 6.571 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -7.877 12.892 8.082 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.966 12.961 6.587 1.00 0.00 H new ATOM 730 N THR A 47 -8.479 11.689 4.145 1.00 0.00 N ATOM 731 CA THR A 47 -8.199 11.315 2.763 1.00 0.00 C ATOM 732 C THR A 47 -6.706 11.364 2.399 1.00 0.00 C ATOM 733 O THR A 47 -6.289 10.588 1.532 1.00 0.00 O ATOM 734 CB THR A 47 -9.076 12.204 1.861 1.00 0.00 C ATOM 735 OG1 THR A 47 -10.425 11.873 2.119 1.00 0.00 O ATOM 736 CG2 THR A 47 -8.864 12.019 0.358 1.00 0.00 C ATOM 0 H THR A 47 -9.126 12.474 4.215 1.00 0.00 H new ATOM 0 HA THR A 47 -8.453 10.266 2.611 1.00 0.00 H new ATOM 0 HB THR A 47 -8.804 13.232 2.098 1.00 0.00 H new ATOM 0 HG1 THR A 47 -11.010 12.425 1.559 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.528 12.689 -0.188 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.829 12.248 0.106 1.00 0.00 H new ATOM 0 HG23 THR A 47 -9.084 10.987 0.084 1.00 0.00 H new ATOM 744 N THR A 48 -5.895 12.209 3.044 1.00 0.00 N ATOM 745 CA THR A 48 -4.452 12.183 2.856 1.00 0.00 C ATOM 746 C THR A 48 -3.880 10.925 3.509 1.00 0.00 C ATOM 747 O THR A 48 -3.414 10.029 2.803 1.00 0.00 O ATOM 748 CB THR A 48 -3.825 13.467 3.418 1.00 0.00 C ATOM 749 OG1 THR A 48 -4.326 14.601 2.732 1.00 0.00 O ATOM 750 CG2 THR A 48 -2.302 13.484 3.271 1.00 0.00 C ATOM 0 H THR A 48 -6.220 12.918 3.701 1.00 0.00 H new ATOM 0 HA THR A 48 -4.211 12.147 1.793 1.00 0.00 H new ATOM 0 HB THR A 48 -4.086 13.495 4.476 1.00 0.00 H new ATOM 0 HG1 THR A 48 -3.920 15.413 3.101 1.00 0.00 H new ATOM 0 HG21 THR A 48 -1.907 14.412 3.683 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.875 12.638 3.809 1.00 0.00 H new ATOM 0 HG23 THR A 48 -2.038 13.414 2.216 1.00 0.00 H new ATOM 758 N GLU A 49 -3.902 10.880 4.845 1.00 0.00 N ATOM 759 CA GLU A 49 -3.142 9.939 5.670 1.00 0.00 C ATOM 760 C GLU A 49 -3.536 8.485 5.385 1.00 0.00 C ATOM 761 O GLU A 49 -2.755 7.548 5.542 1.00 0.00 O ATOM 762 CB GLU A 49 -3.394 10.310 7.137 1.00 0.00 C ATOM 763 CG GLU A 49 -2.170 9.980 7.991 1.00 0.00 C ATOM 764 CD GLU A 49 -2.373 10.344 9.461 1.00 0.00 C ATOM 765 OE1 GLU A 49 -2.723 11.510 9.727 1.00 0.00 O ATOM 766 OE2 GLU A 49 -2.124 9.470 10.330 1.00 0.00 O ATOM 0 H GLU A 49 -4.470 11.521 5.400 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.080 10.011 5.436 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -3.623 11.373 7.215 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -4.263 9.768 7.511 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -1.949 8.916 7.910 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.304 10.516 7.603 1.00 0.00 H new ATOM 773 N ALA A 50 -4.759 8.337 4.895 1.00 0.00 N ATOM 774 CA ALA A 50 -5.335 7.208 4.224 1.00 0.00 C ATOM 775 C ALA A 50 -4.444 6.714 3.089 1.00 0.00 C ATOM 776 O ALA A 50 -3.657 5.787 3.263 1.00 0.00 O ATOM 777 CB ALA A 50 -6.715 7.653 3.732 1.00 0.00 C ATOM 0 H ALA A 50 -5.436 9.096 4.973 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.430 6.357 4.898 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.199 6.827 3.211 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -7.326 7.953 4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -6.604 8.496 3.050 1.00 0.00 H new ATOM 783 N PHE A 51 -4.591 7.294 1.898 1.00 0.00 N ATOM 784 CA PHE A 51 -3.926 6.773 0.702 1.00 0.00 C ATOM 785 C PHE A 51 -2.402 6.684 0.906 1.00 0.00 C ATOM 786 O PHE A 51 -1.743 5.795 0.363 1.00 0.00 O ATOM 787 CB PHE A 51 -4.266 7.594 -0.550 1.00 0.00 C ATOM 788 CG PHE A 51 -3.043 8.093 -1.314 1.00 0.00 C ATOM 789 CD1 PHE A 51 -2.435 7.270 -2.284 1.00 0.00 C ATOM 790 CD2 PHE A 51 -2.396 9.281 -0.915 1.00 0.00 C ATOM 791 CE1 PHE A 51 -1.206 7.636 -2.854 1.00 0.00 C ATOM 792 CE2 PHE A 51 -1.144 9.628 -1.456 1.00 0.00 C ATOM 793 CZ PHE A 51 -0.555 8.806 -2.436 1.00 0.00 C ATOM 0 H PHE A 51 -5.163 8.123 1.735 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.306 5.764 0.540 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -4.875 6.985 -1.217 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -4.873 8.450 -0.257 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -2.917 6.353 -2.590 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -2.865 9.929 -0.189 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -0.760 7.015 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -0.637 10.521 -1.121 1.00 0.00 H new ATOM 0 HZ PHE A 51 0.398 9.076 -2.866 1.00 0.00 H new ATOM 803 N GLU A 52 -1.860 7.609 1.691 1.00 0.00 N ATOM 804 CA GLU A 52 -0.473 7.647 2.100 1.00 0.00 C ATOM 805 C GLU A 52 -0.088 6.292 2.709 1.00 0.00 C ATOM 806 O GLU A 52 0.775 5.597 2.154 1.00 0.00 O ATOM 807 CB GLU A 52 -0.306 8.875 3.011 1.00 0.00 C ATOM 808 CG GLU A 52 -0.228 10.166 2.168 1.00 0.00 C ATOM 809 CD GLU A 52 1.114 10.894 2.188 1.00 0.00 C ATOM 810 OE1 GLU A 52 1.940 10.579 1.304 1.00 0.00 O ATOM 811 OE2 GLU A 52 1.249 11.917 2.910 1.00 0.00 O ATOM 0 H GLU A 52 -2.404 8.383 2.072 1.00 0.00 H new ATOM 0 HA GLU A 52 0.227 7.776 1.275 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -1.144 8.937 3.705 1.00 0.00 H new ATOM 0 HB3 GLU A 52 0.598 8.770 3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -0.469 9.917 1.135 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -0.998 10.853 2.519 1.00 0.00 H new ATOM 818 N LYS A 53 -0.806 5.833 3.740 1.00 0.00 N ATOM 819 CA LYS A 53 -0.510 4.543 4.353 1.00 0.00 C ATOM 820 C LYS A 53 -0.846 3.390 3.415 1.00 0.00 C ATOM 821 O LYS A 53 -0.170 2.370 3.469 1.00 0.00 O ATOM 822 CB LYS A 53 -1.228 4.392 5.698 1.00 0.00 C ATOM 823 CG LYS A 53 -0.529 3.348 6.587 1.00 0.00 C ATOM 824 CD LYS A 53 -1.488 2.518 7.443 1.00 0.00 C ATOM 825 CE LYS A 53 -0.649 1.591 8.331 1.00 0.00 C ATOM 826 NZ LYS A 53 -1.466 0.543 8.973 1.00 0.00 N ATOM 0 H LYS A 53 -1.588 6.334 4.161 1.00 0.00 H new ATOM 0 HA LYS A 53 0.563 4.508 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -1.251 5.353 6.211 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -2.263 4.096 5.529 1.00 0.00 H new ATOM 0 HG2 LYS A 53 0.051 2.676 5.954 1.00 0.00 H new ATOM 0 HG3 LYS A 53 0.178 3.858 7.242 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -2.113 3.169 8.055 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -2.158 1.936 6.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 0.131 1.124 7.730 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -0.149 2.181 9.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -0.857 -0.059 9.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -2.195 0.987 9.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -1.923 -0.038 8.241 1.00 0.00 H new ATOM 840 N MET A 54 -1.837 3.520 2.526 1.00 0.00 N ATOM 841 CA MET A 54 -2.157 2.528 1.485 1.00 0.00 C ATOM 842 C MET A 54 -0.928 2.105 0.688 1.00 0.00 C ATOM 843 O MET A 54 -0.799 0.933 0.326 1.00 0.00 O ATOM 844 CB MET A 54 -3.304 3.035 0.588 1.00 0.00 C ATOM 845 CG MET A 54 -3.169 2.666 -0.900 1.00 0.00 C ATOM 846 SD MET A 54 -4.290 3.482 -2.061 1.00 0.00 S ATOM 847 CE MET A 54 -3.177 3.533 -3.494 1.00 0.00 C ATOM 0 H MET A 54 -2.453 4.333 2.507 1.00 0.00 H new ATOM 0 HA MET A 54 -2.506 1.623 1.982 1.00 0.00 H new ATOM 0 HB2 MET A 54 -4.245 2.634 0.964 1.00 0.00 H new ATOM 0 HB3 MET A 54 -3.363 4.120 0.675 1.00 0.00 H new ATOM 0 HG2 MET A 54 -2.147 2.882 -1.210 1.00 0.00 H new ATOM 0 HG3 MET A 54 -3.310 1.589 -0.995 1.00 0.00 H new ATOM 0 HE1 MET A 54 -3.614 4.159 -4.272 1.00 0.00 H new ATOM 0 HE2 MET A 54 -2.215 3.947 -3.193 1.00 0.00 H new ATOM 0 HE3 MET A 54 -3.033 2.524 -3.879 1.00 0.00 H new ATOM 857 N VAL A 55 -0.070 3.061 0.357 1.00 0.00 N ATOM 858 CA VAL A 55 1.179 2.806 -0.333 1.00 0.00 C ATOM 859 C VAL A 55 2.155 2.177 0.672 1.00 0.00 C ATOM 860 O VAL A 55 2.851 1.221 0.319 1.00 0.00 O ATOM 861 CB VAL A 55 1.621 4.149 -0.953 1.00 0.00 C ATOM 862 CG1 VAL A 55 2.998 4.134 -1.620 1.00 0.00 C ATOM 863 CG2 VAL A 55 0.613 4.622 -2.017 1.00 0.00 C ATOM 0 H VAL A 55 -0.228 4.047 0.565 1.00 0.00 H new ATOM 0 HA VAL A 55 1.111 2.091 -1.153 1.00 0.00 H new ATOM 0 HB VAL A 55 1.669 4.824 -0.098 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.217 5.122 -2.024 1.00 0.00 H new ATOM 0 HG12 VAL A 55 3.756 3.867 -0.884 1.00 0.00 H new ATOM 0 HG13 VAL A 55 3.003 3.402 -2.428 1.00 0.00 H new ATOM 0 HG21 VAL A 55 0.947 5.570 -2.439 1.00 0.00 H new ATOM 0 HG22 VAL A 55 0.544 3.877 -2.809 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -0.366 4.754 -1.557 1.00 0.00 H new ATOM 873 N SER A 56 2.166 2.653 1.920 1.00 0.00 N ATOM 874 CA SER A 56 3.161 2.286 2.907 1.00 0.00 C ATOM 875 C SER A 56 3.055 0.859 3.416 1.00 0.00 C ATOM 876 O SER A 56 4.073 0.165 3.379 1.00 0.00 O ATOM 877 CB SER A 56 3.211 3.331 4.019 1.00 0.00 C ATOM 878 OG SER A 56 4.254 3.041 4.921 1.00 0.00 O ATOM 0 H SER A 56 1.471 3.313 2.269 1.00 0.00 H new ATOM 0 HA SER A 56 4.125 2.288 2.398 1.00 0.00 H new ATOM 0 HB2 SER A 56 3.359 4.322 3.589 1.00 0.00 H new ATOM 0 HB3 SER A 56 2.259 3.352 4.549 1.00 0.00 H new ATOM 0 HG SER A 56 4.274 3.720 5.627 1.00 0.00 H new ATOM 884 N LEU A 57 1.859 0.377 3.787 1.00 0.00 N ATOM 885 CA LEU A 57 1.641 -1.024 4.168 1.00 0.00 C ATOM 886 C LEU A 57 2.351 -1.939 3.199 1.00 0.00 C ATOM 887 O LEU A 57 3.077 -2.825 3.622 1.00 0.00 O ATOM 888 CB LEU A 57 0.168 -1.474 4.234 1.00 0.00 C ATOM 889 CG LEU A 57 -0.827 -0.760 3.300 1.00 0.00 C ATOM 890 CD1 LEU A 57 -1.586 -1.746 2.400 1.00 0.00 C ATOM 891 CD2 LEU A 57 -1.921 -0.093 4.141 1.00 0.00 C ATOM 0 H LEU A 57 1.016 0.949 3.831 1.00 0.00 H new ATOM 0 HA LEU A 57 2.038 -1.091 5.181 1.00 0.00 H new ATOM 0 HB2 LEU A 57 0.130 -2.541 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -0.179 -1.346 5.259 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.240 -0.060 2.706 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -2.276 -1.197 1.759 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.876 -2.295 1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.146 -2.447 3.019 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -2.627 0.414 3.483 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.446 -0.851 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.469 0.633 4.816 1.00 0.00 H new ATOM 903 N LEU A 58 2.157 -1.731 1.899 1.00 0.00 N ATOM 904 CA LEU A 58 2.774 -2.592 0.906 1.00 0.00 C ATOM 905 C LEU A 58 4.284 -2.437 0.870 1.00 0.00 C ATOM 906 O LEU A 58 4.965 -3.458 0.772 1.00 0.00 O ATOM 907 CB LEU A 58 2.142 -2.364 -0.460 1.00 0.00 C ATOM 908 CG LEU A 58 0.706 -2.905 -0.564 1.00 0.00 C ATOM 909 CD1 LEU A 58 0.435 -3.211 -2.039 1.00 0.00 C ATOM 910 CD2 LEU A 58 0.353 -4.131 0.306 1.00 0.00 C ATOM 0 H LEU A 58 1.583 -0.980 1.516 1.00 0.00 H new ATOM 0 HA LEU A 58 2.585 -3.626 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 58 2.137 -1.296 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.759 -2.841 -1.222 1.00 0.00 H new ATOM 0 HG LEU A 58 0.063 -2.123 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -0.578 -3.598 -2.150 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.541 -2.298 -2.625 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.148 -3.955 -2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -0.687 -4.409 0.138 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.000 -4.966 0.038 1.00 0.00 H new ATOM 0 HD23 LEU A 58 0.497 -3.884 1.358 1.00 0.00 H new ATOM 922 N SER A 59 4.821 -1.225 0.971 1.00 0.00 N ATOM 923 CA SER A 59 6.260 -1.015 1.028 1.00 0.00 C ATOM 924 C SER A 59 6.931 -1.683 2.235 1.00 0.00 C ATOM 925 O SER A 59 8.065 -2.145 2.110 1.00 0.00 O ATOM 926 CB SER A 59 6.559 0.481 0.933 1.00 0.00 C ATOM 927 OG SER A 59 6.236 0.965 -0.363 1.00 0.00 O ATOM 0 H SER A 59 4.273 -0.366 1.015 1.00 0.00 H new ATOM 0 HA SER A 59 6.706 -1.515 0.168 1.00 0.00 H new ATOM 0 HB2 SER A 59 5.985 1.022 1.685 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.613 0.663 1.145 1.00 0.00 H new ATOM 0 HG SER A 59 6.823 1.717 -0.587 1.00 0.00 H new ATOM 933 N VAL A 60 6.247 -1.816 3.369 1.00 0.00 N ATOM 934 CA VAL A 60 6.786 -2.510 4.546 1.00 0.00 C ATOM 935 C VAL A 60 6.508 -4.021 4.479 1.00 0.00 C ATOM 936 O VAL A 60 7.369 -4.839 4.807 1.00 0.00 O ATOM 937 CB VAL A 60 6.340 -1.813 5.852 1.00 0.00 C ATOM 938 CG1 VAL A 60 4.835 -1.862 6.131 1.00 0.00 C ATOM 939 CG2 VAL A 60 7.091 -2.388 7.058 1.00 0.00 C ATOM 0 H VAL A 60 5.305 -1.448 3.502 1.00 0.00 H new ATOM 0 HA VAL A 60 7.873 -2.433 4.546 1.00 0.00 H new ATOM 0 HB VAL A 60 6.590 -0.763 5.700 1.00 0.00 H new ATOM 0 HG11 VAL A 60 4.622 -1.347 7.068 1.00 0.00 H new ATOM 0 HG12 VAL A 60 4.298 -1.373 5.318 1.00 0.00 H new ATOM 0 HG13 VAL A 60 4.513 -2.900 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 60 6.762 -1.883 7.966 1.00 0.00 H new ATOM 0 HG22 VAL A 60 6.884 -3.455 7.141 1.00 0.00 H new ATOM 0 HG23 VAL A 60 8.162 -2.235 6.926 1.00 0.00 H new ATOM 949 N LEU A 61 5.341 -4.428 3.975 1.00 0.00 N ATOM 950 CA LEU A 61 4.942 -5.809 3.729 1.00 0.00 C ATOM 951 C LEU A 61 5.865 -6.448 2.694 1.00 0.00 C ATOM 952 O LEU A 61 6.110 -7.647 2.751 1.00 0.00 O ATOM 953 CB LEU A 61 3.472 -5.745 3.281 1.00 0.00 C ATOM 954 CG LEU A 61 2.786 -6.929 2.601 1.00 0.00 C ATOM 955 CD1 LEU A 61 3.320 -7.142 1.182 1.00 0.00 C ATOM 956 CD2 LEU A 61 2.798 -8.188 3.459 1.00 0.00 C ATOM 0 H LEU A 61 4.612 -3.764 3.715 1.00 0.00 H new ATOM 0 HA LEU A 61 5.028 -6.439 4.614 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.883 -5.505 4.166 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.386 -4.897 2.601 1.00 0.00 H new ATOM 0 HG LEU A 61 1.730 -6.679 2.494 1.00 0.00 H new ATOM 0 HD11 LEU A 61 2.812 -7.992 0.726 1.00 0.00 H new ATOM 0 HD12 LEU A 61 3.138 -6.247 0.587 1.00 0.00 H new ATOM 0 HD13 LEU A 61 4.391 -7.339 1.222 1.00 0.00 H new ATOM 0 HD21 LEU A 61 2.297 -8.996 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 61 3.828 -8.475 3.669 1.00 0.00 H new ATOM 0 HD23 LEU A 61 2.277 -7.994 4.397 1.00 0.00 H new ATOM 968 N LEU A 62 6.423 -5.659 1.772 1.00 0.00 N ATOM 969 CA LEU A 62 7.364 -6.110 0.756 1.00 0.00 C ATOM 970 C LEU A 62 8.517 -6.865 1.416 1.00 0.00 C ATOM 971 O LEU A 62 9.008 -7.833 0.852 1.00 0.00 O ATOM 972 CB LEU A 62 7.885 -4.888 -0.033 1.00 0.00 C ATOM 973 CG LEU A 62 7.500 -4.872 -1.525 1.00 0.00 C ATOM 974 CD1 LEU A 62 7.038 -3.482 -1.982 1.00 0.00 C ATOM 975 CD2 LEU A 62 8.675 -5.279 -2.412 1.00 0.00 C ATOM 0 H LEU A 62 6.223 -4.660 1.714 1.00 0.00 H new ATOM 0 HA LEU A 62 6.865 -6.788 0.064 1.00 0.00 H new ATOM 0 HB2 LEU A 62 7.504 -3.981 0.436 1.00 0.00 H new ATOM 0 HB3 LEU A 62 8.972 -4.857 0.048 1.00 0.00 H new ATOM 0 HG LEU A 62 6.684 -5.587 -1.627 1.00 0.00 H new ATOM 0 HD11 LEU A 62 6.776 -3.515 -3.040 1.00 0.00 H new ATOM 0 HD12 LEU A 62 6.166 -3.179 -1.402 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.843 -2.763 -1.830 1.00 0.00 H new ATOM 0 HD21 LEU A 62 8.367 -5.256 -3.457 1.00 0.00 H new ATOM 0 HD22 LEU A 62 9.502 -4.584 -2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 62 8.996 -6.287 -2.150 1.00 0.00 H new ATOM 987 N SER A 63 8.903 -6.480 2.635 1.00 0.00 N ATOM 988 CA SER A 63 9.988 -7.096 3.386 1.00 0.00 C ATOM 989 C SER A 63 9.774 -8.608 3.511 1.00 0.00 C ATOM 990 O SER A 63 10.584 -9.408 3.028 1.00 0.00 O ATOM 991 CB SER A 63 10.082 -6.399 4.746 1.00 0.00 C ATOM 992 OG SER A 63 11.055 -6.990 5.569 1.00 0.00 O ATOM 0 H SER A 63 8.456 -5.712 3.135 1.00 0.00 H new ATOM 0 HA SER A 63 10.936 -6.971 2.863 1.00 0.00 H new ATOM 0 HB2 SER A 63 10.321 -5.346 4.599 1.00 0.00 H new ATOM 0 HB3 SER A 63 9.113 -6.439 5.243 1.00 0.00 H new ATOM 0 HG SER A 63 11.088 -6.518 6.427 1.00 0.00 H new ATOM 998 N MET A 64 8.655 -8.987 4.124 1.00 0.00 N ATOM 999 CA MET A 64 8.241 -10.370 4.319 1.00 0.00 C ATOM 1000 C MET A 64 7.724 -10.998 3.041 1.00 0.00 C ATOM 1001 O MET A 64 7.662 -12.225 2.938 1.00 0.00 O ATOM 1002 CB MET A 64 7.125 -10.456 5.351 1.00 0.00 C ATOM 1003 CG MET A 64 5.846 -9.709 4.952 1.00 0.00 C ATOM 1004 SD MET A 64 4.532 -9.843 6.191 1.00 0.00 S ATOM 1005 CE MET A 64 5.100 -8.607 7.383 1.00 0.00 C ATOM 0 H MET A 64 7.991 -8.316 4.511 1.00 0.00 H new ATOM 0 HA MET A 64 9.128 -10.907 4.655 1.00 0.00 H new ATOM 0 HB2 MET A 64 6.882 -11.505 5.522 1.00 0.00 H new ATOM 0 HB3 MET A 64 7.488 -10.054 6.297 1.00 0.00 H new ATOM 0 HG2 MET A 64 6.081 -8.657 4.792 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.484 -10.102 4.002 1.00 0.00 H new ATOM 0 HE1 MET A 64 4.401 -8.558 8.218 1.00 0.00 H new ATOM 0 HE2 MET A 64 6.087 -8.884 7.752 1.00 0.00 H new ATOM 0 HE3 MET A 64 5.154 -7.632 6.898 1.00 0.00 H new ATOM 1015 N GLN A 65 7.302 -10.170 2.082 1.00 0.00 N ATOM 1016 CA GLN A 65 6.956 -10.676 0.779 1.00 0.00 C ATOM 1017 C GLN A 65 8.241 -11.296 0.205 1.00 0.00 C ATOM 1018 O GLN A 65 8.210 -12.397 -0.349 1.00 0.00 O ATOM 1019 CB GLN A 65 6.394 -9.549 -0.110 1.00 0.00 C ATOM 1020 CG GLN A 65 5.461 -10.000 -1.243 1.00 0.00 C ATOM 1021 CD GLN A 65 6.150 -10.695 -2.425 1.00 0.00 C ATOM 1022 OE1 GLN A 65 7.367 -10.665 -2.581 1.00 0.00 O ATOM 1023 NE2 GLN A 65 5.391 -11.320 -3.307 1.00 0.00 N ATOM 0 H GLN A 65 7.197 -9.162 2.194 1.00 0.00 H new ATOM 0 HA GLN A 65 6.169 -11.428 0.829 1.00 0.00 H new ATOM 0 HB2 GLN A 65 5.853 -8.846 0.524 1.00 0.00 H new ATOM 0 HB3 GLN A 65 7.231 -9.005 -0.548 1.00 0.00 H new ATOM 0 HG2 GLN A 65 4.716 -10.679 -0.829 1.00 0.00 H new ATOM 0 HG3 GLN A 65 4.925 -9.128 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 65 4.379 -11.347 -3.181 1.00 0.00 H new ATOM 0 HE22 GLN A 65 5.817 -11.776 -4.114 1.00 0.00 H new ATOM 1032 N GLY A 66 9.370 -10.611 0.426 1.00 0.00 N ATOM 1033 CA GLY A 66 10.712 -10.925 -0.033 1.00 0.00 C ATOM 1034 C GLY A 66 11.429 -9.669 -0.531 1.00 0.00 C ATOM 1035 O GLY A 66 11.682 -9.557 -1.735 1.00 0.00 O ATOM 0 H GLY A 66 9.358 -9.753 0.977 1.00 0.00 H new ATOM 0 HA2 GLY A 66 11.282 -11.375 0.780 1.00 0.00 H new ATOM 0 HA3 GLY A 66 10.663 -11.662 -0.835 1.00 0.00 H new ATOM 1039 N ALA A 67 11.757 -8.732 0.371 1.00 0.00 N ATOM 1040 CA ALA A 67 12.503 -7.519 0.035 1.00 0.00 C ATOM 1041 C ALA A 67 13.365 -7.034 1.203 1.00 0.00 C ATOM 1042 O ALA A 67 12.946 -6.174 1.983 1.00 0.00 O ATOM 1043 CB ALA A 67 11.540 -6.413 -0.393 1.00 0.00 C ATOM 0 H ALA A 67 11.509 -8.799 1.358 1.00 0.00 H new ATOM 0 HA ALA A 67 13.171 -7.764 -0.790 1.00 0.00 H new ATOM 0 HB1 ALA A 67 12.105 -5.514 -0.641 1.00 0.00 H new ATOM 0 HB2 ALA A 67 10.976 -6.740 -1.267 1.00 0.00 H new ATOM 0 HB3 ALA A 67 10.851 -6.195 0.423 1.00 0.00 H new ATOM 1049 N VAL A 68 14.590 -7.541 1.331 1.00 0.00 N ATOM 1050 CA VAL A 68 15.476 -7.079 2.395 1.00 0.00 C ATOM 1051 C VAL A 68 15.851 -5.602 2.213 1.00 0.00 C ATOM 1052 O VAL A 68 16.059 -4.910 3.214 1.00 0.00 O ATOM 1053 CB VAL A 68 16.694 -8.010 2.512 1.00 0.00 C ATOM 1054 CG1 VAL A 68 17.656 -7.959 1.327 1.00 0.00 C ATOM 1055 CG2 VAL A 68 17.495 -7.735 3.783 1.00 0.00 C ATOM 0 H VAL A 68 14.985 -8.258 0.723 1.00 0.00 H new ATOM 0 HA VAL A 68 14.946 -7.129 3.346 1.00 0.00 H new ATOM 0 HB VAL A 68 16.253 -9.007 2.536 1.00 0.00 H new ATOM 0 HG11 VAL A 68 18.483 -8.648 1.500 1.00 0.00 H new ATOM 0 HG12 VAL A 68 17.128 -8.246 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 68 18.045 -6.947 1.217 1.00 0.00 H new ATOM 0 HG21 VAL A 68 18.347 -8.413 3.830 1.00 0.00 H new ATOM 0 HG22 VAL A 68 17.851 -6.705 3.773 1.00 0.00 H new ATOM 0 HG23 VAL A 68 16.859 -7.891 4.655 1.00 0.00 H new ATOM 1065 N ASP A 69 15.911 -5.090 0.979 1.00 0.00 N ATOM 1066 CA ASP A 69 16.457 -3.761 0.694 1.00 0.00 C ATOM 1067 C ASP A 69 15.364 -2.892 0.098 1.00 0.00 C ATOM 1068 O ASP A 69 15.442 -2.419 -1.040 1.00 0.00 O ATOM 1069 CB ASP A 69 17.714 -3.840 -0.192 1.00 0.00 C ATOM 1070 CG ASP A 69 18.852 -4.609 0.469 1.00 0.00 C ATOM 1071 OD1 ASP A 69 19.073 -4.454 1.697 1.00 0.00 O ATOM 1072 OD2 ASP A 69 19.488 -5.427 -0.233 1.00 0.00 O ATOM 0 H ASP A 69 15.582 -5.586 0.151 1.00 0.00 H new ATOM 0 HA ASP A 69 16.789 -3.297 1.623 1.00 0.00 H new ATOM 0 HB2 ASP A 69 17.458 -4.319 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 69 18.052 -2.831 -0.428 1.00 0.00 H new ATOM 1077 N ILE A 70 14.324 -2.665 0.895 1.00 0.00 N ATOM 1078 CA ILE A 70 13.337 -1.628 0.647 1.00 0.00 C ATOM 1079 C ILE A 70 12.839 -1.010 1.961 1.00 0.00 C ATOM 1080 O ILE A 70 11.809 -0.342 1.978 1.00 0.00 O ATOM 1081 CB ILE A 70 12.240 -2.198 -0.287 1.00 0.00 C ATOM 1082 CG1 ILE A 70 11.500 -1.119 -1.099 1.00 0.00 C ATOM 1083 CG2 ILE A 70 11.236 -3.083 0.456 1.00 0.00 C ATOM 1084 CD1 ILE A 70 12.431 -0.444 -2.108 1.00 0.00 C ATOM 0 H ILE A 70 14.144 -3.205 1.741 1.00 0.00 H new ATOM 0 HA ILE A 70 13.777 -0.782 0.119 1.00 0.00 H new ATOM 0 HB ILE A 70 12.783 -2.820 -0.998 1.00 0.00 H new ATOM 0 HG12 ILE A 70 10.658 -1.570 -1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 70 11.090 -0.370 -0.422 1.00 0.00 H new ATOM 0 HG21 ILE A 70 10.490 -3.455 -0.246 1.00 0.00 H new ATOM 0 HG22 ILE A 70 11.759 -3.925 0.910 1.00 0.00 H new ATOM 0 HG23 ILE A 70 10.743 -2.500 1.234 1.00 0.00 H new ATOM 0 HD11 ILE A 70 11.877 0.312 -2.665 1.00 0.00 H new ATOM 0 HD12 ILE A 70 13.259 0.028 -1.580 1.00 0.00 H new ATOM 0 HD13 ILE A 70 12.821 -1.191 -2.800 1.00 0.00 H new ATOM 1096 N ASN A 71 13.539 -1.237 3.080 1.00 0.00 N ATOM 1097 CA ASN A 71 13.208 -0.583 4.342 1.00 0.00 C ATOM 1098 C ASN A 71 13.977 0.735 4.400 1.00 0.00 C ATOM 1099 O ASN A 71 13.402 1.780 4.102 1.00 0.00 O ATOM 1100 CB ASN A 71 13.419 -1.531 5.538 1.00 0.00 C ATOM 1101 CG ASN A 71 12.299 -1.406 6.562 1.00 0.00 C ATOM 1102 OD1 ASN A 71 12.367 -0.621 7.502 1.00 0.00 O ATOM 1103 ND2 ASN A 71 11.242 -2.185 6.411 1.00 0.00 N ATOM 0 H ASN A 71 14.337 -1.870 3.132 1.00 0.00 H new ATOM 0 HA ASN A 71 12.148 -0.338 4.404 1.00 0.00 H new ATOM 0 HB2 ASN A 71 13.473 -2.560 5.182 1.00 0.00 H new ATOM 0 HB3 ASN A 71 14.374 -1.308 6.014 1.00 0.00 H new ATOM 0 HD21 ASN A 71 10.473 -2.137 7.080 1.00 0.00 H new ATOM 0 HD22 ASN A 71 11.195 -2.834 5.626 1.00 0.00 H new ATOM 1110 N ARG A 72 15.290 0.707 4.661 1.00 0.00 N ATOM 1111 CA ARG A 72 16.045 1.951 4.875 1.00 0.00 C ATOM 1112 C ARG A 72 16.107 2.795 3.616 1.00 0.00 C ATOM 1113 O ARG A 72 15.641 3.922 3.600 1.00 0.00 O ATOM 1114 CB ARG A 72 17.473 1.671 5.349 1.00 0.00 C ATOM 1115 CG ARG A 72 17.537 1.149 6.791 1.00 0.00 C ATOM 1116 CD ARG A 72 17.922 -0.326 6.826 1.00 0.00 C ATOM 1117 NE ARG A 72 19.275 -0.551 6.287 1.00 0.00 N ATOM 1118 CZ ARG A 72 19.890 -1.731 6.180 1.00 0.00 C ATOM 1119 NH1 ARG A 72 19.276 -2.859 6.538 1.00 0.00 N ATOM 1120 NH2 ARG A 72 21.147 -1.765 5.771 1.00 0.00 N ATOM 0 H ARG A 72 15.845 -0.146 4.729 1.00 0.00 H new ATOM 0 HA ARG A 72 15.509 2.500 5.649 1.00 0.00 H new ATOM 0 HB2 ARG A 72 17.934 0.941 4.684 1.00 0.00 H new ATOM 0 HB3 ARG A 72 18.061 2.586 5.274 1.00 0.00 H new ATOM 0 HG2 ARG A 72 18.263 1.731 7.359 1.00 0.00 H new ATOM 0 HG3 ARG A 72 16.570 1.287 7.274 1.00 0.00 H new ATOM 0 HD2 ARG A 72 17.874 -0.690 7.852 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.200 -0.904 6.249 1.00 0.00 H new ATOM 0 HE ARG A 72 19.789 0.270 5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.323 -2.828 6.900 1.00 0.00 H new ATOM 0 HH12 ARG A 72 19.759 -3.753 6.450 1.00 0.00 H new ATOM 0 HH21 ARG A 72 21.633 -0.898 5.543 1.00 0.00 H new ATOM 0 HH22 ARG A 72 21.631 -2.659 5.684 1.00 0.00 H new ATOM 1134 N LEU A 73 16.648 2.252 2.530 1.00 0.00 N ATOM 1135 CA LEU A 73 16.804 2.980 1.274 1.00 0.00 C ATOM 1136 C LEU A 73 15.474 3.438 0.656 1.00 0.00 C ATOM 1137 O LEU A 73 15.507 4.171 -0.334 1.00 0.00 O ATOM 1138 CB LEU A 73 17.649 2.171 0.275 1.00 0.00 C ATOM 1139 CG LEU A 73 17.157 0.739 0.002 1.00 0.00 C ATOM 1140 CD1 LEU A 73 17.438 0.351 -1.452 1.00 0.00 C ATOM 1141 CD2 LEU A 73 17.881 -0.257 0.918 1.00 0.00 C ATOM 0 H LEU A 73 16.992 1.292 2.495 1.00 0.00 H new ATOM 0 HA LEU A 73 17.339 3.898 1.516 1.00 0.00 H new ATOM 0 HB2 LEU A 73 17.680 2.713 -0.670 1.00 0.00 H new ATOM 0 HB3 LEU A 73 18.672 2.121 0.648 1.00 0.00 H new ATOM 0 HG LEU A 73 16.085 0.708 0.195 1.00 0.00 H new ATOM 0 HD11 LEU A 73 17.085 -0.664 -1.632 1.00 0.00 H new ATOM 0 HD12 LEU A 73 16.919 1.039 -2.119 1.00 0.00 H new ATOM 0 HD13 LEU A 73 18.510 0.401 -1.641 1.00 0.00 H new ATOM 0 HD21 LEU A 73 17.523 -1.266 0.714 1.00 0.00 H new ATOM 0 HD22 LEU A 73 18.954 -0.208 0.732 1.00 0.00 H new ATOM 0 HD23 LEU A 73 17.681 -0.005 1.959 1.00 0.00 H new ATOM 1153 N CYS A 74 14.323 3.050 1.221 1.00 0.00 N ATOM 1154 CA CYS A 74 13.023 3.554 0.824 1.00 0.00 C ATOM 1155 C CYS A 74 12.450 4.535 1.854 1.00 0.00 C ATOM 1156 O CYS A 74 11.613 5.346 1.457 1.00 0.00 O ATOM 1157 CB CYS A 74 12.088 2.375 0.527 1.00 0.00 C ATOM 1158 SG CYS A 74 11.032 2.758 -0.903 1.00 0.00 S ATOM 0 H CYS A 74 14.280 2.367 1.977 1.00 0.00 H new ATOM 0 HA CYS A 74 13.128 4.135 -0.092 1.00 0.00 H new ATOM 0 HB2 CYS A 74 12.674 1.478 0.326 1.00 0.00 H new ATOM 0 HB3 CYS A 74 11.469 2.163 1.399 1.00 0.00 H new ATOM 0 HG CYS A 74 10.247 1.751 -1.145 1.00 0.00 H new ATOM 1164 N GLU A 75 12.900 4.566 3.121 1.00 0.00 N ATOM 1165 CA GLU A 75 12.470 5.570 4.098 1.00 0.00 C ATOM 1166 C GLU A 75 12.859 6.978 3.611 1.00 0.00 C ATOM 1167 O GLU A 75 12.174 7.965 3.864 1.00 0.00 O ATOM 1168 CB GLU A 75 13.053 5.201 5.474 1.00 0.00 C ATOM 1169 CG GLU A 75 14.504 5.633 5.703 1.00 0.00 C ATOM 1170 CD GLU A 75 14.630 6.742 6.746 1.00 0.00 C ATOM 1171 OE1 GLU A 75 14.676 6.424 7.958 1.00 0.00 O ATOM 1172 OE2 GLU A 75 14.730 7.923 6.358 1.00 0.00 O ATOM 0 H GLU A 75 13.572 3.894 3.492 1.00 0.00 H new ATOM 0 HA GLU A 75 11.385 5.582 4.202 1.00 0.00 H new ATOM 0 HB2 GLU A 75 12.430 5.651 6.247 1.00 0.00 H new ATOM 0 HB3 GLU A 75 12.988 4.120 5.601 1.00 0.00 H new ATOM 0 HG2 GLU A 75 15.090 4.771 6.022 1.00 0.00 H new ATOM 0 HG3 GLU A 75 14.930 5.976 4.760 1.00 0.00 H new ATOM 1179 N GLU A 76 13.888 7.032 2.768 1.00 0.00 N ATOM 1180 CA GLU A 76 14.385 8.233 2.103 1.00 0.00 C ATOM 1181 C GLU A 76 13.309 8.815 1.169 1.00 0.00 C ATOM 1182 O GLU A 76 13.383 9.971 0.764 1.00 0.00 O ATOM 1183 CB GLU A 76 15.673 7.865 1.338 1.00 0.00 C ATOM 1184 CG GLU A 76 16.407 9.086 0.763 1.00 0.00 C ATOM 1185 CD GLU A 76 17.729 8.712 0.089 1.00 0.00 C ATOM 1186 OE1 GLU A 76 17.686 8.115 -1.022 1.00 0.00 O ATOM 1187 OE2 GLU A 76 18.799 9.071 0.626 1.00 0.00 O ATOM 0 H GLU A 76 14.423 6.200 2.519 1.00 0.00 H new ATOM 0 HA GLU A 76 14.617 9.006 2.836 1.00 0.00 H new ATOM 0 HB2 GLU A 76 16.345 7.328 2.008 1.00 0.00 H new ATOM 0 HB3 GLU A 76 15.422 7.184 0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 76 15.763 9.586 0.039 1.00 0.00 H new ATOM 0 HG3 GLU A 76 16.600 9.800 1.564 1.00 0.00 H new ATOM 1194 N MET A 77 12.276 8.033 0.853 1.00 0.00 N ATOM 1195 CA MET A 77 11.099 8.428 0.108 1.00 0.00 C ATOM 1196 C MET A 77 9.899 8.509 1.054 1.00 0.00 C ATOM 1197 O MET A 77 9.252 9.547 1.071 1.00 0.00 O ATOM 1198 CB MET A 77 10.920 7.447 -1.060 1.00 0.00 C ATOM 1199 CG MET A 77 9.763 7.813 -1.992 1.00 0.00 C ATOM 1200 SD MET A 77 9.720 6.814 -3.511 1.00 0.00 S ATOM 1201 CE MET A 77 10.978 7.665 -4.511 1.00 0.00 C ATOM 0 H MET A 77 12.245 7.052 1.130 1.00 0.00 H new ATOM 0 HA MET A 77 11.201 9.424 -0.324 1.00 0.00 H new ATOM 0 HB2 MET A 77 11.844 7.410 -1.638 1.00 0.00 H new ATOM 0 HB3 MET A 77 10.753 6.446 -0.661 1.00 0.00 H new ATOM 0 HG2 MET A 77 8.821 7.689 -1.457 1.00 0.00 H new ATOM 0 HG3 MET A 77 9.841 8.867 -2.260 1.00 0.00 H new ATOM 0 HE1 MET A 77 11.070 7.170 -5.478 1.00 0.00 H new ATOM 0 HE2 MET A 77 10.682 8.703 -4.662 1.00 0.00 H new ATOM 0 HE3 MET A 77 11.937 7.633 -3.994 1.00 0.00 H new ATOM 1211 N LEU A 78 9.574 7.454 1.812 1.00 0.00 N ATOM 1212 CA LEU A 78 8.326 7.372 2.590 1.00 0.00 C ATOM 1213 C LEU A 78 8.408 8.274 3.820 1.00 0.00 C ATOM 1214 O LEU A 78 7.519 9.084 4.079 1.00 0.00 O ATOM 1215 CB LEU A 78 8.004 5.931 3.048 1.00 0.00 C ATOM 1216 CG LEU A 78 8.257 4.804 2.014 1.00 0.00 C ATOM 1217 CD1 LEU A 78 9.241 3.778 2.573 1.00 0.00 C ATOM 1218 CD2 LEU A 78 7.002 4.045 1.579 1.00 0.00 C ATOM 0 H LEU A 78 10.169 6.630 1.905 1.00 0.00 H new ATOM 0 HA LEU A 78 7.526 7.702 1.928 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.595 5.716 3.938 1.00 0.00 H new ATOM 0 HB3 LEU A 78 6.956 5.893 3.344 1.00 0.00 H new ATOM 0 HG LEU A 78 8.654 5.319 1.139 1.00 0.00 H new ATOM 0 HD11 LEU A 78 9.408 2.994 1.835 1.00 0.00 H new ATOM 0 HD12 LEU A 78 10.187 4.268 2.801 1.00 0.00 H new ATOM 0 HD13 LEU A 78 8.831 3.339 3.483 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.274 3.276 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 78 6.540 3.578 2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 78 6.297 4.739 1.123 1.00 0.00 H new ATOM 1230 N ASP A 79 9.469 8.132 4.607 1.00 0.00 N ATOM 1231 CA ASP A 79 9.699 8.906 5.825 1.00 0.00 C ATOM 1232 C ASP A 79 9.943 10.360 5.458 1.00 0.00 C ATOM 1233 O ASP A 79 9.406 11.278 6.050 1.00 0.00 O ATOM 1234 CB ASP A 79 10.888 8.328 6.601 1.00 0.00 C ATOM 1235 CG ASP A 79 10.626 8.338 8.104 1.00 0.00 C ATOM 1236 OD1 ASP A 79 10.094 9.340 8.624 1.00 0.00 O ATOM 1237 OD2 ASP A 79 10.762 7.267 8.731 1.00 0.00 O ATOM 0 H ASP A 79 10.211 7.460 4.413 1.00 0.00 H new ATOM 0 HA ASP A 79 8.820 8.849 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 79 11.080 7.307 6.270 1.00 0.00 H new ATOM 0 HB3 ASP A 79 11.785 8.908 6.382 1.00 0.00 H new ATOM 1242 N ASN A 80 10.660 10.601 4.376 1.00 0.00 N ATOM 1243 CA ASN A 80 10.907 11.947 3.873 1.00 0.00 C ATOM 1244 C ASN A 80 9.654 12.585 3.257 1.00 0.00 C ATOM 1245 O ASN A 80 9.610 13.803 3.070 1.00 0.00 O ATOM 1246 CB ASN A 80 11.986 11.750 2.824 1.00 0.00 C ATOM 1247 CG ASN A 80 12.728 12.974 2.286 1.00 0.00 C ATOM 1248 OD1 ASN A 80 13.954 13.002 2.297 1.00 0.00 O ATOM 1249 ND2 ASN A 80 12.050 13.974 1.754 1.00 0.00 N ATOM 0 H ASN A 80 11.092 9.866 3.815 1.00 0.00 H new ATOM 0 HA ASN A 80 11.201 12.628 4.672 1.00 0.00 H new ATOM 0 HB2 ASN A 80 12.730 11.071 3.240 1.00 0.00 H new ATOM 0 HB3 ASN A 80 11.530 11.242 1.974 1.00 0.00 H new ATOM 0 HD21 ASN A 80 12.546 14.770 1.352 1.00 0.00 H new ATOM 0 HD22 ASN A 80 11.030 13.951 1.745 1.00 0.00 H new ATOM 1256 N ARG A 81 8.632 11.799 2.896 1.00 0.00 N ATOM 1257 CA ARG A 81 7.435 12.329 2.247 1.00 0.00 C ATOM 1258 C ARG A 81 6.669 13.183 3.236 1.00 0.00 C ATOM 1259 O ARG A 81 6.223 14.271 2.873 1.00 0.00 O ATOM 1260 CB ARG A 81 6.533 11.209 1.690 1.00 0.00 C ATOM 1261 CG ARG A 81 6.192 11.425 0.204 1.00 0.00 C ATOM 1262 CD ARG A 81 6.389 10.129 -0.581 1.00 0.00 C ATOM 1263 NE ARG A 81 6.296 10.338 -2.038 1.00 0.00 N ATOM 1264 CZ ARG A 81 5.185 10.521 -2.765 1.00 0.00 C ATOM 1265 NH1 ARG A 81 3.976 10.398 -2.233 1.00 0.00 N ATOM 1266 NH2 ARG A 81 5.284 10.829 -4.053 1.00 0.00 N ATOM 0 H ARG A 81 8.614 10.790 3.045 1.00 0.00 H new ATOM 0 HA ARG A 81 7.748 12.935 1.397 1.00 0.00 H new ATOM 0 HB2 ARG A 81 7.033 10.248 1.811 1.00 0.00 H new ATOM 0 HB3 ARG A 81 5.611 11.164 2.270 1.00 0.00 H new ATOM 0 HG2 ARG A 81 5.161 11.764 0.106 1.00 0.00 H new ATOM 0 HG3 ARG A 81 6.825 12.209 -0.211 1.00 0.00 H new ATOM 0 HD2 ARG A 81 7.363 9.704 -0.338 1.00 0.00 H new ATOM 0 HD3 ARG A 81 5.638 9.402 -0.272 1.00 0.00 H new ATOM 0 HE ARG A 81 7.178 10.344 -2.551 1.00 0.00 H new ATOM 0 HH11 ARG A 81 3.875 10.158 -1.247 1.00 0.00 H new ATOM 0 HH12 ARG A 81 3.148 10.543 -2.810 1.00 0.00 H new ATOM 0 HH21 ARG A 81 6.203 10.925 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 81 4.441 10.969 -4.610 1.00 0.00 H new ATOM 1280 N ALA A 82 6.510 12.683 4.461 1.00 0.00 N ATOM 1281 CA ALA A 82 5.703 13.338 5.482 1.00 0.00 C ATOM 1282 C ALA A 82 6.090 12.956 6.915 1.00 0.00 C ATOM 1283 O ALA A 82 5.389 13.348 7.852 1.00 0.00 O ATOM 1284 CB ALA A 82 4.230 12.980 5.230 1.00 0.00 C ATOM 0 H ALA A 82 6.939 11.811 4.771 1.00 0.00 H new ATOM 0 HA ALA A 82 5.878 14.411 5.401 1.00 0.00 H new ATOM 0 HB1 ALA A 82 3.605 13.460 5.983 1.00 0.00 H new ATOM 0 HB2 ALA A 82 3.936 13.327 4.240 1.00 0.00 H new ATOM 0 HB3 ALA A 82 4.103 11.899 5.288 1.00 0.00 H new ATOM 1290 N THR A 83 7.136 12.149 7.114 1.00 0.00 N ATOM 1291 CA THR A 83 7.426 11.436 8.369 1.00 0.00 C ATOM 1292 C THR A 83 6.204 10.710 8.945 1.00 0.00 C ATOM 1293 O THR A 83 6.009 10.608 10.158 1.00 0.00 O ATOM 1294 CB THR A 83 8.153 12.344 9.372 1.00 0.00 C ATOM 1295 OG1 THR A 83 7.358 13.454 9.753 1.00 0.00 O ATOM 1296 CG2 THR A 83 9.459 12.880 8.786 1.00 0.00 C ATOM 0 H THR A 83 7.827 11.966 6.387 1.00 0.00 H new ATOM 0 HA THR A 83 8.122 10.631 8.133 1.00 0.00 H new ATOM 0 HB THR A 83 8.358 11.726 10.246 1.00 0.00 H new ATOM 0 HG1 THR A 83 6.526 13.454 9.235 1.00 0.00 H new ATOM 0 HG21 THR A 83 9.951 13.519 9.519 1.00 0.00 H new ATOM 0 HG22 THR A 83 10.114 12.046 8.534 1.00 0.00 H new ATOM 0 HG23 THR A 83 9.244 13.457 7.887 1.00 0.00 H new ATOM 1304 N LEU A 84 5.332 10.234 8.060 1.00 0.00 N ATOM 1305 CA LEU A 84 4.121 9.524 8.425 1.00 0.00 C ATOM 1306 C LEU A 84 3.754 8.552 7.312 1.00 0.00 C ATOM 1307 O LEU A 84 3.757 7.349 7.567 1.00 0.00 O ATOM 1308 CB LEU A 84 3.020 10.560 8.713 1.00 0.00 C ATOM 1309 CG LEU A 84 1.984 10.112 9.752 1.00 0.00 C ATOM 1310 CD1 LEU A 84 2.579 9.879 11.151 1.00 0.00 C ATOM 1311 CD2 LEU A 84 0.913 11.200 9.865 1.00 0.00 C ATOM 0 H LEU A 84 5.454 10.336 7.052 1.00 0.00 H new ATOM 0 HA LEU A 84 4.259 8.929 9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 84 3.487 11.482 9.058 1.00 0.00 H new ATOM 0 HB3 LEU A 84 2.505 10.793 7.781 1.00 0.00 H new ATOM 0 HG LEU A 84 1.578 9.160 9.410 1.00 0.00 H new ATOM 0 HD11 LEU A 84 1.790 9.564 11.834 1.00 0.00 H new ATOM 0 HD12 LEU A 84 3.343 9.103 11.097 1.00 0.00 H new ATOM 0 HD13 LEU A 84 3.026 10.804 11.515 1.00 0.00 H new ATOM 0 HD21 LEU A 84 0.166 10.900 10.600 1.00 0.00 H new ATOM 0 HD22 LEU A 84 1.376 12.135 10.179 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.433 11.340 8.896 1.00 0.00 H new ATOM 1323 N GLN A 85 3.537 9.097 6.106 1.00 0.00 N ATOM 1324 CA GLN A 85 3.041 8.497 4.882 1.00 0.00 C ATOM 1325 C GLN A 85 2.207 7.258 5.184 1.00 0.00 C ATOM 1326 O GLN A 85 1.077 7.421 5.700 1.00 0.00 O ATOM 1327 CB GLN A 85 4.193 8.267 3.874 1.00 0.00 C ATOM 1328 CG GLN A 85 3.690 8.203 2.421 1.00 0.00 C ATOM 1329 CD GLN A 85 3.989 6.910 1.673 1.00 0.00 C ATOM 1330 OE1 GLN A 85 4.859 6.126 1.996 1.00 0.00 O ATOM 1331 NE2 GLN A 85 3.345 6.684 0.543 1.00 0.00 N ATOM 0 H GLN A 85 3.732 10.088 5.960 1.00 0.00 H new ATOM 0 HA GLN A 85 2.360 9.190 4.388 1.00 0.00 H new ATOM 0 HB2 GLN A 85 4.923 9.071 3.969 1.00 0.00 H new ATOM 0 HB3 GLN A 85 4.708 7.338 4.120 1.00 0.00 H new ATOM 0 HG2 GLN A 85 2.611 8.359 2.423 1.00 0.00 H new ATOM 0 HG3 GLN A 85 4.131 9.032 1.867 1.00 0.00 H new ATOM 0 HE21 GLN A 85 2.608 7.321 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 85 3.584 5.872 -0.027 1.00 0.00 H new