USER MOD reduce.3.24.130724 H: found=0, std=0, add=792, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 793 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 88 THR OG1 : rot -169:sc= -2.77! USER MOD Set 1.2: A 90 GLN : amide:sc= -1.77! K(o=-4.5!,f=-5.8) USER MOD Set 2.1: A 80 LYS NZ :NH3+ -110:sc= 1.44 (180deg=0.388) USER MOD Set 2.2: A 105 ASN : amide:sc= -2.38! C(o=-0.94!,f=-8.2!) USER MOD Set 3.1: A 6 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00272) USER MOD Set 3.2: A 53 HIS : no HD1:sc= -4.85! C(o=-4.6!,f=-5.8!) USER MOD Set 3.3: A 81 LYS NZ :NH3+ -165:sc= 0.265 (180deg=0) USER MOD Set 4.1: A 47 MET CE :methyl -141:sc= -4.57 (180deg=-5.76!) USER MOD Set 4.2: A 52 HIS : no HE2:sc= -18! C(o=-22!,f=-34!) USER MOD Set 4.3: A 79 THR OG1 : rot 89:sc= 0.429 USER MOD Set 5.1: A 15 GLN : amide:sc= -0.0155 X(o=-1.7,f=-1.7) USER MOD Set 5.2: A 60 ASN : amide:sc= -1.71! C(o=-1.7!,f=-1.5!) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot -168:sc= 0.117 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 28 GLN : amide:sc= -0.0656 X(o=-0.066,f=-0.36) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.0298 X(o=-0.03,f=-0.19) USER MOD Single : A 35 THR OG1 : rot -170:sc= 0 USER MOD Single : A 42 GLN : amide:sc= -0.334 K(o=-0.33,f=-3.1!) USER MOD Single : A 44 MET CE :methyl -126:sc= -0.808 (180deg=-2.77!) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 50 ASN : amide:sc= -3.54! C(o=-3.5!,f=-5.9!) USER MOD Single : A 57 SER OG : rot 180:sc= -0.341 USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 MET CE :methyl -158:sc= -4.72! (180deg=-6.09!) USER MOD Single : A 71 GLN : amide:sc=-0.00526 X(o=-0.0053,f=-0.067) USER MOD Single : A 76 ASN : amide:sc= -0.772 K(o=-0.77,f=-1.7!) USER MOD Single : A 97 GLN : amide:sc= -0.0553 X(o=-0.055,f=0) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 ASN : amide:sc= -0.726 X(o=-0.73,f=-0.63!) USER MOD ----------------------------------------------------------------- ATOM 73 N LYS A 6 5.843 13.129 7.396 1.00 0.00 N ATOM 74 CA LYS A 6 6.255 12.367 6.229 1.00 0.00 C ATOM 75 C LYS A 6 5.531 11.020 6.222 1.00 0.00 C ATOM 76 O LYS A 6 6.054 10.032 5.708 1.00 0.00 O ATOM 77 CB LYS A 6 7.780 12.246 6.181 1.00 0.00 C ATOM 78 CG LYS A 6 8.294 11.344 7.306 1.00 0.00 C ATOM 79 CD LYS A 6 9.823 11.280 7.301 1.00 0.00 C ATOM 80 CE LYS A 6 10.315 9.964 6.697 1.00 0.00 C ATOM 81 NZ LYS A 6 10.829 9.068 7.757 1.00 0.00 N ATOM 0 HA LYS A 6 5.969 12.886 5.314 1.00 0.00 H new ATOM 0 HB2 LYS A 6 8.086 11.841 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 6 8.230 13.235 6.269 1.00 0.00 H new ATOM 0 HG2 LYS A 6 7.945 11.721 8.267 1.00 0.00 H new ATOM 0 HG3 LYS A 6 7.884 10.341 7.189 1.00 0.00 H new ATOM 0 HD2 LYS A 6 10.224 12.118 6.731 1.00 0.00 H new ATOM 0 HD3 LYS A 6 10.198 11.379 8.320 1.00 0.00 H new ATOM 0 HE2 LYS A 6 9.500 9.475 6.163 1.00 0.00 H new ATOM 0 HE3 LYS A 6 11.101 10.163 5.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 11.175 8.186 7.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 11.609 9.537 8.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 10.065 8.850 8.428 1.00 0.00 H new ATOM 95 N ILE A 7 4.338 11.023 6.799 1.00 0.00 N ATOM 96 CA ILE A 7 3.536 9.812 6.866 1.00 0.00 C ATOM 97 C ILE A 7 2.263 10.004 6.038 1.00 0.00 C ATOM 98 O ILE A 7 1.257 10.498 6.546 1.00 0.00 O ATOM 99 CB ILE A 7 3.271 9.425 8.322 1.00 0.00 C ATOM 100 CG1 ILE A 7 2.469 8.125 8.406 1.00 0.00 C ATOM 101 CG2 ILE A 7 2.591 10.568 9.078 1.00 0.00 C ATOM 102 CD1 ILE A 7 3.397 6.910 8.453 1.00 0.00 C ATOM 0 H ILE A 7 3.907 11.844 7.224 1.00 0.00 H new ATOM 0 HA ILE A 7 4.076 8.971 6.431 1.00 0.00 H new ATOM 0 HB ILE A 7 4.230 9.244 8.807 1.00 0.00 H new ATOM 0 HG12 ILE A 7 1.838 8.140 9.295 1.00 0.00 H new ATOM 0 HG13 ILE A 7 1.805 8.047 7.545 1.00 0.00 H new ATOM 0 HG21 ILE A 7 2.414 10.267 10.110 1.00 0.00 H new ATOM 0 HG22 ILE A 7 3.234 11.448 9.062 1.00 0.00 H new ATOM 0 HG23 ILE A 7 1.640 10.805 8.601 1.00 0.00 H new ATOM 0 HD11 ILE A 7 2.801 5.999 8.513 1.00 0.00 H new ATOM 0 HD12 ILE A 7 4.009 6.885 7.552 1.00 0.00 H new ATOM 0 HD13 ILE A 7 4.043 6.979 9.328 1.00 0.00 H new ATOM 114 N LYS A 8 2.348 9.601 4.779 1.00 0.00 N ATOM 115 CA LYS A 8 1.215 9.721 3.877 1.00 0.00 C ATOM 116 C LYS A 8 0.854 8.338 3.332 1.00 0.00 C ATOM 117 O LYS A 8 1.735 7.520 3.072 1.00 0.00 O ATOM 118 CB LYS A 8 1.506 10.755 2.788 1.00 0.00 C ATOM 119 CG LYS A 8 0.386 11.796 2.706 1.00 0.00 C ATOM 120 CD LYS A 8 0.860 13.056 1.980 1.00 0.00 C ATOM 121 CE LYS A 8 -0.078 13.408 0.823 1.00 0.00 C ATOM 122 NZ LYS A 8 -0.179 14.876 0.667 1.00 0.00 N ATOM 0 H LYS A 8 3.184 9.191 4.362 1.00 0.00 H new ATOM 0 HA LYS A 8 0.340 10.092 4.411 1.00 0.00 H new ATOM 0 HB2 LYS A 8 2.454 11.251 2.997 1.00 0.00 H new ATOM 0 HB3 LYS A 8 1.613 10.254 1.826 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -0.472 11.372 2.184 1.00 0.00 H new ATOM 0 HG3 LYS A 8 0.051 12.055 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 8 0.906 13.889 2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 8 1.870 12.903 1.600 1.00 0.00 H new ATOM 0 HE2 LYS A 8 0.291 12.963 -0.101 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -1.066 12.987 1.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -0.819 15.098 -0.122 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -0.552 15.293 1.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 0.763 15.270 0.470 1.00 0.00 H new ATOM 136 N VAL A 9 -0.444 8.120 3.174 1.00 0.00 N ATOM 137 CA VAL A 9 -0.933 6.850 2.665 1.00 0.00 C ATOM 138 C VAL A 9 -1.303 7.007 1.189 1.00 0.00 C ATOM 139 O VAL A 9 -2.096 7.877 0.833 1.00 0.00 O ATOM 140 CB VAL A 9 -2.097 6.354 3.525 1.00 0.00 C ATOM 141 CG1 VAL A 9 -2.437 4.899 3.199 1.00 0.00 C ATOM 142 CG2 VAL A 9 -1.791 6.527 5.013 1.00 0.00 C ATOM 0 H VAL A 9 -1.171 8.802 3.390 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.156 6.088 2.726 1.00 0.00 H new ATOM 0 HB VAL A 9 -2.971 6.962 3.291 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.268 4.571 3.824 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.718 4.818 2.149 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -1.568 4.270 3.391 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -2.634 6.167 5.602 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -0.899 5.956 5.270 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -1.621 7.582 5.229 1.00 0.00 H new ATOM 152 N LEU A 10 -0.712 6.150 0.369 1.00 0.00 N ATOM 153 CA LEU A 10 -0.970 6.182 -1.061 1.00 0.00 C ATOM 154 C LEU A 10 -1.817 4.969 -1.449 1.00 0.00 C ATOM 155 O LEU A 10 -1.374 3.829 -1.313 1.00 0.00 O ATOM 156 CB LEU A 10 0.341 6.291 -1.840 1.00 0.00 C ATOM 157 CG LEU A 10 0.335 5.697 -3.251 1.00 0.00 C ATOM 158 CD1 LEU A 10 0.976 4.307 -3.262 1.00 0.00 C ATOM 159 CD2 LEU A 10 -1.079 5.681 -3.833 1.00 0.00 C ATOM 0 H LEU A 10 -0.055 5.429 0.668 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.545 7.070 -1.324 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.611 7.345 -1.912 1.00 0.00 H new ATOM 0 HB3 LEU A 10 1.125 5.800 -1.264 1.00 0.00 H new ATOM 0 HG LEU A 10 0.940 6.336 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 10 0.959 3.907 -4.276 1.00 0.00 H new ATOM 0 HD12 LEU A 10 2.008 4.379 -2.917 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.418 3.644 -2.601 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -1.055 5.254 -4.836 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -1.727 5.078 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -1.464 6.700 -3.881 1.00 0.00 H new ATOM 171 N ILE A 11 -3.020 5.254 -1.925 1.00 0.00 N ATOM 172 CA ILE A 11 -3.933 4.200 -2.334 1.00 0.00 C ATOM 173 C ILE A 11 -4.588 4.586 -3.661 1.00 0.00 C ATOM 174 O ILE A 11 -5.406 5.504 -3.711 1.00 0.00 O ATOM 175 CB ILE A 11 -4.936 3.897 -1.218 1.00 0.00 C ATOM 176 CG1 ILE A 11 -5.983 5.007 -1.106 1.00 0.00 C ATOM 177 CG2 ILE A 11 -4.219 3.649 0.110 1.00 0.00 C ATOM 178 CD1 ILE A 11 -6.839 4.827 0.149 1.00 0.00 C ATOM 0 H ILE A 11 -3.384 6.200 -2.037 1.00 0.00 H new ATOM 0 HA ILE A 11 -3.390 3.270 -2.504 1.00 0.00 H new ATOM 0 HB ILE A 11 -5.466 2.980 -1.474 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.488 5.978 -1.077 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -6.621 5.001 -1.990 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -4.954 3.436 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -3.544 2.799 0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -3.647 4.535 0.385 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -7.575 5.629 0.205 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.352 3.866 0.105 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -6.201 4.858 1.032 1.00 0.00 H new ATOM 190 N VAL A 12 -4.206 3.864 -4.705 1.00 0.00 N ATOM 191 CA VAL A 12 -4.746 4.119 -6.030 1.00 0.00 C ATOM 192 C VAL A 12 -5.192 2.797 -6.656 1.00 0.00 C ATOM 193 O VAL A 12 -4.453 1.814 -6.634 1.00 0.00 O ATOM 194 CB VAL A 12 -3.716 4.867 -6.880 1.00 0.00 C ATOM 195 CG1 VAL A 12 -2.426 4.057 -7.016 1.00 0.00 C ATOM 196 CG2 VAL A 12 -4.290 5.218 -8.253 1.00 0.00 C ATOM 0 H VAL A 12 -3.529 3.102 -4.660 1.00 0.00 H new ATOM 0 HA VAL A 12 -5.624 4.762 -5.968 1.00 0.00 H new ATOM 0 HB VAL A 12 -3.474 5.799 -6.370 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -1.711 4.611 -7.624 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.001 3.880 -6.028 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.645 3.102 -7.493 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -3.538 5.749 -8.837 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -4.574 4.303 -8.773 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -5.168 5.852 -8.129 1.00 0.00 H new ATOM 206 N ASP A 13 -6.399 2.816 -7.203 1.00 0.00 N ATOM 207 CA ASP A 13 -6.953 1.631 -7.836 1.00 0.00 C ATOM 208 C ASP A 13 -7.680 2.035 -9.119 1.00 0.00 C ATOM 209 O ASP A 13 -8.300 3.096 -9.178 1.00 0.00 O ATOM 210 CB ASP A 13 -7.962 0.937 -6.918 1.00 0.00 C ATOM 211 CG ASP A 13 -7.364 0.311 -5.656 1.00 0.00 C ATOM 212 OD1 ASP A 13 -6.651 1.046 -4.941 1.00 0.00 O ATOM 213 OD2 ASP A 13 -7.635 -0.890 -5.436 1.00 0.00 O ATOM 0 H ASP A 13 -7.009 3.633 -7.221 1.00 0.00 H new ATOM 0 HA ASP A 13 -6.131 0.948 -8.050 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.720 1.662 -6.622 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -8.471 0.158 -7.486 1.00 0.00 H new ATOM 218 N ASP A 14 -7.582 1.168 -10.116 1.00 0.00 N ATOM 219 CA ASP A 14 -8.223 1.422 -11.395 1.00 0.00 C ATOM 220 C ASP A 14 -9.710 1.701 -11.168 1.00 0.00 C ATOM 221 O ASP A 14 -10.235 2.711 -11.636 1.00 0.00 O ATOM 222 CB ASP A 14 -8.105 0.210 -12.320 1.00 0.00 C ATOM 223 CG ASP A 14 -8.034 0.540 -13.812 1.00 0.00 C ATOM 224 OD1 ASP A 14 -9.091 0.920 -14.361 1.00 0.00 O ATOM 225 OD2 ASP A 14 -6.924 0.405 -14.371 1.00 0.00 O ATOM 0 H ASP A 14 -7.068 0.288 -10.064 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.729 2.277 -11.857 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -7.213 -0.353 -12.045 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.960 -0.444 -12.148 1.00 0.00 H new ATOM 230 N GLN A 15 -10.348 0.788 -10.450 1.00 0.00 N ATOM 231 CA GLN A 15 -11.765 0.922 -10.156 1.00 0.00 C ATOM 232 C GLN A 15 -11.968 1.801 -8.920 1.00 0.00 C ATOM 233 O GLN A 15 -11.187 1.737 -7.972 1.00 0.00 O ATOM 234 CB GLN A 15 -12.418 -0.448 -9.968 1.00 0.00 C ATOM 235 CG GLN A 15 -13.720 -0.548 -10.767 1.00 0.00 C ATOM 236 CD GLN A 15 -13.536 -1.429 -12.005 1.00 0.00 C ATOM 237 OE1 GLN A 15 -12.777 -1.122 -12.910 1.00 0.00 O ATOM 238 NE2 GLN A 15 -14.270 -2.537 -11.995 1.00 0.00 N ATOM 0 H GLN A 15 -9.910 -0.048 -10.063 1.00 0.00 H new ATOM 0 HA GLN A 15 -12.249 1.404 -11.005 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -11.730 -1.230 -10.288 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -12.622 -0.616 -8.910 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -14.507 -0.960 -10.136 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -14.043 0.448 -11.070 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -14.885 -2.734 -11.206 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -14.218 -3.190 -12.777 1.00 0.00 H new ATOM 247 N VAL A 16 -13.024 2.602 -8.969 1.00 0.00 N ATOM 248 CA VAL A 16 -13.340 3.491 -7.865 1.00 0.00 C ATOM 249 C VAL A 16 -13.804 2.663 -6.664 1.00 0.00 C ATOM 250 O VAL A 16 -13.426 2.946 -5.529 1.00 0.00 O ATOM 251 CB VAL A 16 -14.372 4.530 -8.310 1.00 0.00 C ATOM 252 CG1 VAL A 16 -15.177 5.048 -7.116 1.00 0.00 C ATOM 253 CG2 VAL A 16 -13.702 5.681 -9.061 1.00 0.00 C ATOM 0 H VAL A 16 -13.671 2.653 -9.756 1.00 0.00 H new ATOM 0 HA VAL A 16 -12.454 4.044 -7.554 1.00 0.00 H new ATOM 0 HB VAL A 16 -15.065 4.042 -8.995 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -15.903 5.785 -7.459 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -15.699 4.217 -6.641 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -14.503 5.511 -6.396 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -14.457 6.405 -9.366 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -12.976 6.167 -8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -13.194 5.293 -9.944 1.00 0.00 H new ATOM 263 N THR A 17 -14.615 1.658 -6.958 1.00 0.00 N ATOM 264 CA THR A 17 -15.134 0.787 -5.917 1.00 0.00 C ATOM 265 C THR A 17 -13.986 0.139 -5.142 1.00 0.00 C ATOM 266 O THR A 17 -14.090 -0.074 -3.935 1.00 0.00 O ATOM 267 CB THR A 17 -16.072 -0.228 -6.574 1.00 0.00 C ATOM 268 OG1 THR A 17 -17.361 0.113 -6.069 1.00 0.00 O ATOM 269 CG2 THR A 17 -15.838 -1.653 -6.068 1.00 0.00 C ATOM 0 H THR A 17 -14.926 1.427 -7.902 1.00 0.00 H new ATOM 0 HA THR A 17 -15.706 1.350 -5.179 1.00 0.00 H new ATOM 0 HB THR A 17 -15.938 -0.200 -7.655 1.00 0.00 H new ATOM 0 HG1 THR A 17 -18.031 -0.495 -6.446 1.00 0.00 H new ATOM 0 HG21 THR A 17 -16.529 -2.334 -6.565 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.813 -1.953 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 17 -16.005 -1.689 -4.992 1.00 0.00 H new ATOM 277 N SER A 18 -12.915 -0.153 -5.867 1.00 0.00 N ATOM 278 CA SER A 18 -11.748 -0.773 -5.261 1.00 0.00 C ATOM 279 C SER A 18 -10.995 0.253 -4.410 1.00 0.00 C ATOM 280 O SER A 18 -10.790 0.041 -3.216 1.00 0.00 O ATOM 281 CB SER A 18 -10.822 -1.361 -6.327 1.00 0.00 C ATOM 282 OG SER A 18 -11.548 -1.878 -7.439 1.00 0.00 O ATOM 0 H SER A 18 -12.831 0.028 -6.867 1.00 0.00 H new ATOM 0 HA SER A 18 -12.085 -1.589 -4.622 1.00 0.00 H new ATOM 0 HB2 SER A 18 -10.131 -0.591 -6.671 1.00 0.00 H new ATOM 0 HB3 SER A 18 -10.220 -2.156 -5.886 1.00 0.00 H new ATOM 0 HG SER A 18 -10.946 -2.404 -8.006 1.00 0.00 H new ATOM 288 N ARG A 19 -10.604 1.339 -5.059 1.00 0.00 N ATOM 289 CA ARG A 19 -9.878 2.397 -4.376 1.00 0.00 C ATOM 290 C ARG A 19 -10.745 3.012 -3.276 1.00 0.00 C ATOM 291 O ARG A 19 -10.228 3.499 -2.272 1.00 0.00 O ATOM 292 CB ARG A 19 -9.454 3.494 -5.355 1.00 0.00 C ATOM 293 CG ARG A 19 -9.620 4.881 -4.730 1.00 0.00 C ATOM 294 CD ARG A 19 -11.080 5.335 -4.782 1.00 0.00 C ATOM 295 NE ARG A 19 -11.155 6.743 -5.230 1.00 0.00 N ATOM 296 CZ ARG A 19 -12.166 7.573 -4.934 1.00 0.00 C ATOM 297 NH1 ARG A 19 -13.191 7.140 -4.187 1.00 0.00 N ATOM 298 NH2 ARG A 19 -12.150 8.835 -5.385 1.00 0.00 N ATOM 0 H ARG A 19 -10.776 1.510 -6.050 1.00 0.00 H new ATOM 0 HA ARG A 19 -8.985 1.955 -3.934 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -8.414 3.344 -5.646 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -10.052 3.427 -6.264 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -9.279 4.861 -3.695 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -8.993 5.599 -5.258 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -11.644 4.697 -5.463 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -11.537 5.233 -3.798 1.00 0.00 H new ATOM 0 HE ARG A 19 -10.390 7.105 -5.799 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -13.202 6.180 -3.844 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -13.960 7.771 -3.962 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -11.369 9.164 -5.953 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -12.919 9.467 -5.160 1.00 0.00 H new ATOM 312 N LEU A 20 -12.050 2.970 -3.502 1.00 0.00 N ATOM 313 CA LEU A 20 -12.994 3.516 -2.542 1.00 0.00 C ATOM 314 C LEU A 20 -13.061 2.599 -1.319 1.00 0.00 C ATOM 315 O LEU A 20 -13.054 3.070 -0.184 1.00 0.00 O ATOM 316 CB LEU A 20 -14.352 3.759 -3.205 1.00 0.00 C ATOM 317 CG LEU A 20 -15.507 4.101 -2.261 1.00 0.00 C ATOM 318 CD1 LEU A 20 -16.414 5.170 -2.871 1.00 0.00 C ATOM 319 CD2 LEU A 20 -16.285 2.843 -1.870 1.00 0.00 C ATOM 0 H LEU A 20 -12.476 2.566 -4.336 1.00 0.00 H new ATOM 0 HA LEU A 20 -12.658 4.491 -2.190 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -14.243 4.571 -3.923 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -14.623 2.867 -3.771 1.00 0.00 H new ATOM 0 HG LEU A 20 -15.089 4.518 -1.345 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -17.227 5.395 -2.180 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -15.835 6.075 -3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -16.827 4.803 -3.811 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -17.100 3.113 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -16.693 2.374 -2.766 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -15.617 2.144 -1.366 1.00 0.00 H new ATOM 331 N LEU A 21 -13.125 1.304 -1.595 1.00 0.00 N ATOM 332 CA LEU A 21 -13.194 0.316 -0.531 1.00 0.00 C ATOM 333 C LEU A 21 -11.966 0.457 0.371 1.00 0.00 C ATOM 334 O LEU A 21 -12.098 0.653 1.578 1.00 0.00 O ATOM 335 CB LEU A 21 -13.370 -1.088 -1.115 1.00 0.00 C ATOM 336 CG LEU A 21 -14.783 -1.451 -1.574 1.00 0.00 C ATOM 337 CD1 LEU A 21 -14.755 -2.616 -2.564 1.00 0.00 C ATOM 338 CD2 LEU A 21 -15.692 -1.737 -0.378 1.00 0.00 C ATOM 0 H LEU A 21 -13.131 0.917 -2.539 1.00 0.00 H new ATOM 0 HA LEU A 21 -14.070 0.489 0.094 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -12.695 -1.194 -1.964 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -13.055 -1.814 -0.365 1.00 0.00 H new ATOM 0 HG LEU A 21 -15.203 -0.593 -2.099 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -15.772 -2.854 -2.875 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -14.165 -2.337 -3.437 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -14.308 -3.488 -2.087 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -16.691 -1.992 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -15.287 -2.570 0.196 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -15.748 -0.852 0.256 1.00 0.00 H new ATOM 350 N LEU A 22 -10.800 0.353 -0.251 1.00 0.00 N ATOM 351 CA LEU A 22 -9.550 0.466 0.481 1.00 0.00 C ATOM 352 C LEU A 22 -9.522 1.800 1.230 1.00 0.00 C ATOM 353 O LEU A 22 -9.233 1.838 2.426 1.00 0.00 O ATOM 354 CB LEU A 22 -8.359 0.265 -0.459 1.00 0.00 C ATOM 355 CG LEU A 22 -8.492 0.882 -1.852 1.00 0.00 C ATOM 356 CD1 LEU A 22 -7.610 2.125 -1.988 1.00 0.00 C ATOM 357 CD2 LEU A 22 -8.197 -0.153 -2.940 1.00 0.00 C ATOM 0 H LEU A 22 -10.695 0.192 -1.253 1.00 0.00 H new ATOM 0 HA LEU A 22 -9.474 -0.323 1.229 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.471 0.681 0.018 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.188 -0.805 -0.572 1.00 0.00 H new ATOM 0 HG LEU A 22 -9.525 1.205 -1.986 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -7.723 2.544 -2.988 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -7.910 2.867 -1.248 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -6.568 1.851 -1.826 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.299 0.311 -3.921 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -7.181 -0.528 -2.819 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -8.901 -0.980 -2.856 1.00 0.00 H new ATOM 369 N GLY A 23 -9.827 2.861 0.498 1.00 0.00 N ATOM 370 CA GLY A 23 -9.841 4.193 1.079 1.00 0.00 C ATOM 371 C GLY A 23 -10.893 4.298 2.184 1.00 0.00 C ATOM 372 O GLY A 23 -10.734 5.072 3.127 1.00 0.00 O ATOM 0 H GLY A 23 -10.067 2.826 -0.493 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -8.857 4.427 1.485 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -10.049 4.930 0.303 1.00 0.00 H new ATOM 376 N ASP A 24 -11.947 3.508 2.032 1.00 0.00 N ATOM 377 CA ASP A 24 -13.025 3.502 3.005 1.00 0.00 C ATOM 378 C ASP A 24 -12.588 2.714 4.241 1.00 0.00 C ATOM 379 O ASP A 24 -12.740 3.184 5.368 1.00 0.00 O ATOM 380 CB ASP A 24 -14.278 2.833 2.436 1.00 0.00 C ATOM 381 CG ASP A 24 -15.555 3.055 3.247 1.00 0.00 C ATOM 382 OD1 ASP A 24 -15.510 3.913 4.155 1.00 0.00 O ATOM 383 OD2 ASP A 24 -16.550 2.361 2.941 1.00 0.00 O ATOM 0 H ASP A 24 -12.076 2.868 1.249 1.00 0.00 H new ATOM 0 HA ASP A 24 -13.253 4.537 3.260 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -14.440 3.202 1.423 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -14.096 1.761 2.359 1.00 0.00 H new ATOM 388 N ALA A 25 -12.051 1.530 3.988 1.00 0.00 N ATOM 389 CA ALA A 25 -11.590 0.671 5.067 1.00 0.00 C ATOM 390 C ALA A 25 -10.507 1.399 5.863 1.00 0.00 C ATOM 391 O ALA A 25 -10.547 1.425 7.092 1.00 0.00 O ATOM 392 CB ALA A 25 -11.097 -0.656 4.487 1.00 0.00 C ATOM 0 H ALA A 25 -11.924 1.145 3.052 1.00 0.00 H new ATOM 0 HA ALA A 25 -12.406 0.443 5.753 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -10.751 -1.300 5.295 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -11.913 -1.146 3.956 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -10.275 -0.468 3.796 1.00 0.00 H new ATOM 398 N LEU A 26 -9.562 1.972 5.131 1.00 0.00 N ATOM 399 CA LEU A 26 -8.469 2.698 5.755 1.00 0.00 C ATOM 400 C LEU A 26 -8.999 4.012 6.333 1.00 0.00 C ATOM 401 O LEU A 26 -8.440 4.543 7.291 1.00 0.00 O ATOM 402 CB LEU A 26 -7.316 2.881 4.766 1.00 0.00 C ATOM 403 CG LEU A 26 -6.233 1.801 4.791 1.00 0.00 C ATOM 404 CD1 LEU A 26 -6.850 0.404 4.682 1.00 0.00 C ATOM 405 CD2 LEU A 26 -5.185 2.049 3.704 1.00 0.00 C ATOM 0 H LEU A 26 -9.531 1.948 4.112 1.00 0.00 H new ATOM 0 HA LEU A 26 -8.058 2.127 6.587 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -7.731 2.928 3.759 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -6.845 3.844 4.962 1.00 0.00 H new ATOM 0 HG LEU A 26 -5.720 1.854 5.751 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -6.059 -0.346 4.702 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -7.528 0.239 5.520 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -7.403 0.323 3.746 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -4.427 1.267 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -5.666 2.038 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.715 3.019 3.867 1.00 0.00 H new ATOM 417 N GLN A 27 -10.071 4.499 5.725 1.00 0.00 N ATOM 418 CA GLN A 27 -10.683 5.740 6.167 1.00 0.00 C ATOM 419 C GLN A 27 -11.135 5.621 7.623 1.00 0.00 C ATOM 420 O GLN A 27 -10.859 6.501 8.437 1.00 0.00 O ATOM 421 CB GLN A 27 -11.853 6.129 5.260 1.00 0.00 C ATOM 422 CG GLN A 27 -11.450 7.245 4.294 1.00 0.00 C ATOM 423 CD GLN A 27 -11.752 8.621 4.890 1.00 0.00 C ATOM 424 OE1 GLN A 27 -11.656 8.843 6.086 1.00 0.00 O ATOM 425 NE2 GLN A 27 -12.121 9.530 3.993 1.00 0.00 N ATOM 0 H GLN A 27 -10.531 4.056 4.930 1.00 0.00 H new ATOM 0 HA GLN A 27 -9.937 6.532 6.102 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -12.186 5.258 4.696 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -12.696 6.456 5.868 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -10.387 7.168 4.067 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -11.986 7.127 3.352 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -12.181 9.278 3.006 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -12.344 10.480 4.291 1.00 0.00 H new ATOM 434 N GLN A 28 -11.821 4.523 7.908 1.00 0.00 N ATOM 435 CA GLN A 28 -12.314 4.277 9.252 1.00 0.00 C ATOM 436 C GLN A 28 -11.152 3.951 10.192 1.00 0.00 C ATOM 437 O GLN A 28 -11.315 3.953 11.412 1.00 0.00 O ATOM 438 CB GLN A 28 -13.354 3.154 9.258 1.00 0.00 C ATOM 439 CG GLN A 28 -14.764 3.714 9.453 1.00 0.00 C ATOM 440 CD GLN A 28 -15.305 3.367 10.841 1.00 0.00 C ATOM 441 OE1 GLN A 28 -15.206 2.245 11.312 1.00 0.00 O ATOM 442 NE2 GLN A 28 -15.882 4.388 11.468 1.00 0.00 N ATOM 0 H GLN A 28 -12.047 3.794 7.231 1.00 0.00 H new ATOM 0 HA GLN A 28 -12.803 5.183 9.610 1.00 0.00 H new ATOM 0 HB2 GLN A 28 -13.304 2.603 8.319 1.00 0.00 H new ATOM 0 HB3 GLN A 28 -13.126 2.447 10.055 1.00 0.00 H new ATOM 0 HG2 GLN A 28 -14.750 4.796 9.324 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -15.428 3.311 8.689 1.00 0.00 H new ATOM 0 HE21 GLN A 28 -15.931 5.301 11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 28 -16.275 4.258 12.400 1.00 0.00 H new ATOM 451 N LEU A 29 -10.003 3.679 9.590 1.00 0.00 N ATOM 452 CA LEU A 29 -8.814 3.353 10.358 1.00 0.00 C ATOM 453 C LEU A 29 -8.033 4.636 10.653 1.00 0.00 C ATOM 454 O LEU A 29 -7.109 4.633 11.464 1.00 0.00 O ATOM 455 CB LEU A 29 -7.989 2.283 9.640 1.00 0.00 C ATOM 456 CG LEU A 29 -6.497 2.581 9.481 1.00 0.00 C ATOM 457 CD1 LEU A 29 -5.768 2.464 10.822 1.00 0.00 C ATOM 458 CD2 LEU A 29 -5.870 1.687 8.409 1.00 0.00 C ATOM 0 H LEU A 29 -9.871 3.678 8.579 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.090 2.919 11.319 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -8.096 1.344 10.184 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -8.416 2.128 8.649 1.00 0.00 H new ATOM 0 HG LEU A 29 -6.389 3.612 9.144 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.709 2.681 10.681 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -6.193 3.175 11.530 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.882 1.452 11.211 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -4.809 1.919 8.316 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -5.989 0.641 8.692 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -6.365 1.863 7.454 1.00 0.00 H new ATOM 470 N GLY A 30 -8.435 5.702 9.977 1.00 0.00 N ATOM 471 CA GLY A 30 -7.785 6.990 10.155 1.00 0.00 C ATOM 472 C GLY A 30 -6.326 6.935 9.698 1.00 0.00 C ATOM 473 O GLY A 30 -5.492 7.701 10.179 1.00 0.00 O ATOM 0 H GLY A 30 -9.202 5.701 9.305 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -8.319 7.752 9.588 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.831 7.283 11.204 1.00 0.00 H new ATOM 477 N PHE A 31 -6.062 6.023 8.773 1.00 0.00 N ATOM 478 CA PHE A 31 -4.719 5.860 8.245 1.00 0.00 C ATOM 479 C PHE A 31 -3.865 7.097 8.525 1.00 0.00 C ATOM 480 O PHE A 31 -3.333 7.254 9.623 1.00 0.00 O ATOM 481 CB PHE A 31 -4.851 5.677 6.732 1.00 0.00 C ATOM 482 CG PHE A 31 -5.842 6.640 6.075 1.00 0.00 C ATOM 483 CD1 PHE A 31 -7.052 6.869 6.650 1.00 0.00 C ATOM 484 CD2 PHE A 31 -5.512 7.267 4.914 1.00 0.00 C ATOM 485 CE1 PHE A 31 -7.972 7.762 6.040 1.00 0.00 C ATOM 486 CE2 PHE A 31 -6.431 8.161 4.303 1.00 0.00 C ATOM 487 CZ PHE A 31 -7.641 8.389 4.879 1.00 0.00 C ATOM 0 H PHE A 31 -6.756 5.390 8.376 1.00 0.00 H new ATOM 0 HA PHE A 31 -4.236 5.004 8.717 1.00 0.00 H new ATOM 0 HB2 PHE A 31 -3.871 5.810 6.273 1.00 0.00 H new ATOM 0 HB3 PHE A 31 -5.163 4.653 6.526 1.00 0.00 H new ATOM 0 HD1 PHE A 31 -7.314 6.371 7.572 1.00 0.00 H new ATOM 0 HD2 PHE A 31 -4.551 7.085 4.457 1.00 0.00 H new ATOM 0 HE1 PHE A 31 -8.934 7.943 6.497 1.00 0.00 H new ATOM 0 HE2 PHE A 31 -6.169 8.659 3.381 1.00 0.00 H new ATOM 0 HZ PHE A 31 -8.340 9.069 4.414 1.00 0.00 H new ATOM 497 N LYS A 32 -3.760 7.946 7.514 1.00 0.00 N ATOM 498 CA LYS A 32 -2.980 9.166 7.636 1.00 0.00 C ATOM 499 C LYS A 32 -3.392 10.144 6.535 1.00 0.00 C ATOM 500 O LYS A 32 -3.805 11.266 6.819 1.00 0.00 O ATOM 501 CB LYS A 32 -1.484 8.845 7.646 1.00 0.00 C ATOM 502 CG LYS A 32 -0.706 9.885 8.456 1.00 0.00 C ATOM 503 CD LYS A 32 -1.123 9.858 9.928 1.00 0.00 C ATOM 504 CE LYS A 32 -1.667 11.219 10.368 1.00 0.00 C ATOM 505 NZ LYS A 32 -2.374 11.101 11.662 1.00 0.00 N ATOM 0 H LYS A 32 -4.203 7.813 6.605 1.00 0.00 H new ATOM 0 HA LYS A 32 -3.185 9.655 8.588 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -1.324 7.854 8.070 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.107 8.819 6.624 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.363 9.690 8.374 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -0.881 10.878 8.043 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -1.883 9.092 10.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -0.268 9.586 10.547 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -0.848 11.933 10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -2.347 11.608 9.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -2.737 12.034 11.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -3.168 10.436 11.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -1.715 10.751 12.387 1.00 0.00 H new ATOM 519 N GLN A 33 -3.266 9.680 5.299 1.00 0.00 N ATOM 520 CA GLN A 33 -3.620 10.500 4.153 1.00 0.00 C ATOM 521 C GLN A 33 -3.904 9.617 2.936 1.00 0.00 C ATOM 522 O GLN A 33 -3.102 8.751 2.594 1.00 0.00 O ATOM 523 CB GLN A 33 -2.521 11.519 3.847 1.00 0.00 C ATOM 524 CG GLN A 33 -2.930 12.921 4.303 1.00 0.00 C ATOM 525 CD GLN A 33 -3.074 13.866 3.108 1.00 0.00 C ATOM 526 OE1 GLN A 33 -3.581 13.509 2.059 1.00 0.00 O ATOM 527 NE2 GLN A 33 -2.599 15.089 3.326 1.00 0.00 N ATOM 0 H GLN A 33 -2.924 8.747 5.067 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.527 11.055 4.394 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.598 11.225 4.347 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.315 11.527 2.777 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.873 12.870 4.846 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.185 13.314 4.994 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -2.186 15.322 4.229 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -2.647 15.794 2.590 1.00 0.00 H new ATOM 536 N ILE A 34 -5.049 9.867 2.317 1.00 0.00 N ATOM 537 CA ILE A 34 -5.449 9.106 1.147 1.00 0.00 C ATOM 538 C ILE A 34 -4.973 9.830 -0.114 1.00 0.00 C ATOM 539 O ILE A 34 -5.470 10.907 -0.442 1.00 0.00 O ATOM 540 CB ILE A 34 -6.954 8.838 1.169 1.00 0.00 C ATOM 541 CG1 ILE A 34 -7.702 9.969 1.880 1.00 0.00 C ATOM 542 CG2 ILE A 34 -7.259 7.471 1.788 1.00 0.00 C ATOM 543 CD1 ILE A 34 -9.203 9.900 1.592 1.00 0.00 C ATOM 0 H ILE A 34 -5.712 10.587 2.605 1.00 0.00 H new ATOM 0 HA ILE A 34 -4.974 8.125 1.152 1.00 0.00 H new ATOM 0 HB ILE A 34 -7.312 8.812 0.140 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -7.531 9.904 2.955 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -7.309 10.932 1.553 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -8.336 7.305 1.791 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -6.774 6.690 1.203 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -6.884 7.443 2.811 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -9.710 10.714 2.109 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -9.372 9.990 0.519 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -9.597 8.946 1.943 1.00 0.00 H new ATOM 555 N THR A 35 -4.014 9.211 -0.788 1.00 0.00 N ATOM 556 CA THR A 35 -3.465 9.783 -2.005 1.00 0.00 C ATOM 557 C THR A 35 -3.552 8.776 -3.154 1.00 0.00 C ATOM 558 O THR A 35 -2.910 7.729 -3.116 1.00 0.00 O ATOM 559 CB THR A 35 -2.037 10.245 -1.708 1.00 0.00 C ATOM 560 OG1 THR A 35 -2.181 11.620 -1.365 1.00 0.00 O ATOM 561 CG2 THR A 35 -1.156 10.263 -2.960 1.00 0.00 C ATOM 0 H THR A 35 -3.603 8.319 -0.514 1.00 0.00 H new ATOM 0 HA THR A 35 -4.041 10.649 -2.330 1.00 0.00 H new ATOM 0 HB THR A 35 -1.591 9.590 -0.960 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.296 12.038 -1.312 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.153 10.598 -2.695 1.00 0.00 H new ATOM 0 HG22 THR A 35 -1.103 9.260 -3.382 1.00 0.00 H new ATOM 0 HG23 THR A 35 -1.583 10.944 -3.696 1.00 0.00 H new ATOM 569 N ALA A 36 -4.352 9.130 -4.149 1.00 0.00 N ATOM 570 CA ALA A 36 -4.531 8.271 -5.307 1.00 0.00 C ATOM 571 C ALA A 36 -4.242 9.069 -6.579 1.00 0.00 C ATOM 572 O ALA A 36 -4.572 10.251 -6.663 1.00 0.00 O ATOM 573 CB ALA A 36 -5.945 7.686 -5.295 1.00 0.00 C ATOM 0 H ALA A 36 -4.884 10.000 -4.177 1.00 0.00 H new ATOM 0 HA ALA A 36 -3.832 7.436 -5.276 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.080 7.042 -6.164 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.090 7.104 -4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -6.674 8.496 -5.328 1.00 0.00 H new ATOM 579 N ALA A 37 -3.628 8.392 -7.538 1.00 0.00 N ATOM 580 CA ALA A 37 -3.290 9.023 -8.802 1.00 0.00 C ATOM 581 C ALA A 37 -3.297 7.970 -9.912 1.00 0.00 C ATOM 582 O ALA A 37 -2.693 6.908 -9.768 1.00 0.00 O ATOM 583 CB ALA A 37 -1.937 9.728 -8.676 1.00 0.00 C ATOM 0 H ALA A 37 -3.356 7.412 -7.465 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.030 9.780 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -1.684 10.201 -9.625 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -1.993 10.487 -7.895 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.169 8.999 -8.418 1.00 0.00 H new ATOM 589 N GLY A 38 -3.987 8.301 -10.994 1.00 0.00 N ATOM 590 CA GLY A 38 -4.081 7.397 -12.127 1.00 0.00 C ATOM 591 C GLY A 38 -4.051 5.938 -11.668 1.00 0.00 C ATOM 592 O GLY A 38 -5.096 5.346 -11.401 1.00 0.00 O ATOM 0 H GLY A 38 -4.486 9.183 -11.110 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -5.003 7.590 -12.676 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -3.256 7.583 -12.814 1.00 0.00 H new ATOM 596 N ASP A 39 -2.842 5.400 -11.590 1.00 0.00 N ATOM 597 CA ASP A 39 -2.663 4.022 -11.169 1.00 0.00 C ATOM 598 C ASP A 39 -1.351 3.897 -10.391 1.00 0.00 C ATOM 599 O ASP A 39 -0.707 4.901 -10.089 1.00 0.00 O ATOM 600 CB ASP A 39 -2.588 3.083 -12.374 1.00 0.00 C ATOM 601 CG ASP A 39 -3.735 2.076 -12.482 1.00 0.00 C ATOM 602 OD1 ASP A 39 -4.223 1.654 -11.411 1.00 0.00 O ATOM 603 OD2 ASP A 39 -4.099 1.752 -13.632 1.00 0.00 O ATOM 0 H ASP A 39 -1.978 5.894 -11.811 1.00 0.00 H new ATOM 0 HA ASP A 39 -3.516 3.746 -10.549 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.566 3.684 -13.283 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -1.647 2.535 -12.331 1.00 0.00 H new ATOM 608 N GLY A 40 -0.995 2.658 -10.087 1.00 0.00 N ATOM 609 CA GLY A 40 0.228 2.390 -9.350 1.00 0.00 C ATOM 610 C GLY A 40 1.363 3.304 -9.818 1.00 0.00 C ATOM 611 O GLY A 40 2.097 3.857 -9.001 1.00 0.00 O ATOM 0 H GLY A 40 -1.532 1.828 -10.338 1.00 0.00 H new ATOM 0 HA2 GLY A 40 0.054 2.537 -8.284 1.00 0.00 H new ATOM 0 HA3 GLY A 40 0.517 1.348 -9.485 1.00 0.00 H new ATOM 615 N GLU A 41 1.470 3.435 -11.132 1.00 0.00 N ATOM 616 CA GLU A 41 2.501 4.272 -11.720 1.00 0.00 C ATOM 617 C GLU A 41 2.244 5.743 -11.388 1.00 0.00 C ATOM 618 O GLU A 41 3.107 6.417 -10.827 1.00 0.00 O ATOM 619 CB GLU A 41 2.586 4.059 -13.232 1.00 0.00 C ATOM 620 CG GLU A 41 3.521 2.895 -13.570 1.00 0.00 C ATOM 621 CD GLU A 41 4.945 3.177 -13.086 1.00 0.00 C ATOM 622 OE1 GLU A 41 5.285 4.376 -12.994 1.00 0.00 O ATOM 623 OE2 GLU A 41 5.660 2.188 -12.820 1.00 0.00 O ATOM 0 H GLU A 41 0.859 2.975 -11.806 1.00 0.00 H new ATOM 0 HA GLU A 41 3.461 3.985 -11.292 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.592 3.859 -13.631 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.945 4.970 -13.712 1.00 0.00 H new ATOM 0 HG2 GLU A 41 3.150 1.980 -13.108 1.00 0.00 H new ATOM 0 HG3 GLU A 41 3.526 2.728 -14.647 1.00 0.00 H new ATOM 630 N GLN A 42 1.053 6.199 -11.747 1.00 0.00 N ATOM 631 CA GLN A 42 0.671 7.578 -11.494 1.00 0.00 C ATOM 632 C GLN A 42 0.699 7.869 -9.993 1.00 0.00 C ATOM 633 O GLN A 42 1.200 8.909 -9.568 1.00 0.00 O ATOM 634 CB GLN A 42 -0.707 7.882 -12.086 1.00 0.00 C ATOM 635 CG GLN A 42 -0.754 9.299 -12.662 1.00 0.00 C ATOM 636 CD GLN A 42 -0.939 9.268 -14.181 1.00 0.00 C ATOM 637 OE1 GLN A 42 -1.111 8.225 -14.790 1.00 0.00 O ATOM 638 NE2 GLN A 42 -0.895 10.466 -14.756 1.00 0.00 N ATOM 0 H GLN A 42 0.339 5.637 -12.211 1.00 0.00 H new ATOM 0 HA GLN A 42 1.393 8.231 -11.984 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -0.938 7.159 -12.868 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -1.470 7.773 -11.316 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -1.572 9.855 -12.204 1.00 0.00 H new ATOM 0 HG3 GLN A 42 0.167 9.827 -12.415 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -0.748 11.300 -14.187 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -1.009 10.551 -15.766 1.00 0.00 H new ATOM 647 N GLY A 43 0.155 6.932 -9.230 1.00 0.00 N ATOM 648 CA GLY A 43 0.112 7.076 -7.785 1.00 0.00 C ATOM 649 C GLY A 43 1.516 6.978 -7.181 1.00 0.00 C ATOM 650 O GLY A 43 1.774 7.525 -6.110 1.00 0.00 O ATOM 0 H GLY A 43 -0.260 6.070 -9.585 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -0.333 8.036 -7.525 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -0.526 6.303 -7.358 1.00 0.00 H new ATOM 654 N MET A 44 2.384 6.279 -7.897 1.00 0.00 N ATOM 655 CA MET A 44 3.755 6.103 -7.444 1.00 0.00 C ATOM 656 C MET A 44 4.523 7.425 -7.499 1.00 0.00 C ATOM 657 O MET A 44 5.143 7.827 -6.516 1.00 0.00 O ATOM 658 CB MET A 44 4.454 5.068 -8.329 1.00 0.00 C ATOM 659 CG MET A 44 5.975 5.186 -8.212 1.00 0.00 C ATOM 660 SD MET A 44 6.483 4.890 -6.527 1.00 0.00 S ATOM 661 CE MET A 44 8.223 5.265 -6.656 1.00 0.00 C ATOM 0 H MET A 44 2.166 5.828 -8.786 1.00 0.00 H new ATOM 0 HA MET A 44 3.737 5.758 -6.410 1.00 0.00 H new ATOM 0 HB2 MET A 44 4.140 4.065 -8.040 1.00 0.00 H new ATOM 0 HB3 MET A 44 4.153 5.209 -9.367 1.00 0.00 H new ATOM 0 HG2 MET A 44 6.456 4.468 -8.877 1.00 0.00 H new ATOM 0 HG3 MET A 44 6.296 6.178 -8.528 1.00 0.00 H new ATOM 0 HE1 MET A 44 8.805 4.423 -6.283 1.00 0.00 H new ATOM 0 HE2 MET A 44 8.479 5.449 -7.699 1.00 0.00 H new ATOM 0 HE3 MET A 44 8.449 6.153 -6.065 1.00 0.00 H new ATOM 671 N LYS A 45 4.458 8.063 -8.658 1.00 0.00 N ATOM 672 CA LYS A 45 5.140 9.331 -8.854 1.00 0.00 C ATOM 673 C LYS A 45 4.472 10.404 -7.992 1.00 0.00 C ATOM 674 O LYS A 45 5.140 11.304 -7.487 1.00 0.00 O ATOM 675 CB LYS A 45 5.198 9.685 -10.342 1.00 0.00 C ATOM 676 CG LYS A 45 3.792 9.758 -10.942 1.00 0.00 C ATOM 677 CD LYS A 45 3.755 9.116 -12.331 1.00 0.00 C ATOM 678 CE LYS A 45 2.813 9.879 -13.263 1.00 0.00 C ATOM 679 NZ LYS A 45 3.574 10.525 -14.355 1.00 0.00 N ATOM 0 H LYS A 45 3.943 7.725 -9.471 1.00 0.00 H new ATOM 0 HA LYS A 45 6.177 9.259 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 45 5.703 10.642 -10.473 1.00 0.00 H new ATOM 0 HB3 LYS A 45 5.787 8.938 -10.875 1.00 0.00 H new ATOM 0 HG2 LYS A 45 3.085 9.252 -10.284 1.00 0.00 H new ATOM 0 HG3 LYS A 45 3.475 10.799 -11.010 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.759 9.101 -12.755 1.00 0.00 H new ATOM 0 HD3 LYS A 45 3.429 8.079 -12.248 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.074 9.196 -13.682 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.265 10.633 -12.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 2.919 11.039 -14.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.262 11.192 -13.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.077 9.799 -14.904 1.00 0.00 H new ATOM 693 N ILE A 46 3.161 10.272 -7.851 1.00 0.00 N ATOM 694 CA ILE A 46 2.394 11.218 -7.059 1.00 0.00 C ATOM 695 C ILE A 46 2.729 11.026 -5.579 1.00 0.00 C ATOM 696 O ILE A 46 2.755 11.990 -4.815 1.00 0.00 O ATOM 697 CB ILE A 46 0.902 11.096 -7.373 1.00 0.00 C ATOM 698 CG1 ILE A 46 0.518 11.977 -8.565 1.00 0.00 C ATOM 699 CG2 ILE A 46 0.054 11.402 -6.138 1.00 0.00 C ATOM 700 CD1 ILE A 46 1.130 11.443 -9.862 1.00 0.00 C ATOM 0 H ILE A 46 2.611 9.524 -8.272 1.00 0.00 H new ATOM 0 HA ILE A 46 2.667 12.241 -7.318 1.00 0.00 H new ATOM 0 HB ILE A 46 0.697 10.064 -7.656 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -0.567 12.014 -8.659 1.00 0.00 H new ATOM 0 HG13 ILE A 46 0.858 12.998 -8.392 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.002 11.308 -6.390 1.00 0.00 H new ATOM 0 HG22 ILE A 46 0.302 10.699 -5.343 1.00 0.00 H new ATOM 0 HG23 ILE A 46 0.257 12.418 -5.800 1.00 0.00 H new ATOM 0 HD11 ILE A 46 0.842 12.087 -10.693 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.216 11.430 -9.773 1.00 0.00 H new ATOM 0 HD13 ILE A 46 0.769 10.431 -10.045 1.00 0.00 H new ATOM 712 N MET A 47 2.976 9.776 -5.218 1.00 0.00 N ATOM 713 CA MET A 47 3.307 9.445 -3.843 1.00 0.00 C ATOM 714 C MET A 47 4.762 9.799 -3.529 1.00 0.00 C ATOM 715 O MET A 47 5.049 10.406 -2.498 1.00 0.00 O ATOM 716 CB MET A 47 3.084 7.950 -3.608 1.00 0.00 C ATOM 717 CG MET A 47 4.102 7.392 -2.613 1.00 0.00 C ATOM 718 SD MET A 47 5.455 6.624 -3.489 1.00 0.00 S ATOM 719 CE MET A 47 4.772 4.994 -3.745 1.00 0.00 C ATOM 0 H MET A 47 2.954 8.979 -5.855 1.00 0.00 H new ATOM 0 HA MET A 47 2.660 10.025 -3.185 1.00 0.00 H new ATOM 0 HB2 MET A 47 2.074 7.784 -3.232 1.00 0.00 H new ATOM 0 HB3 MET A 47 3.164 7.414 -4.554 1.00 0.00 H new ATOM 0 HG2 MET A 47 4.478 8.193 -1.977 1.00 0.00 H new ATOM 0 HG3 MET A 47 3.622 6.664 -1.959 1.00 0.00 H new ATOM 0 HE1 MET A 47 5.554 4.247 -3.613 1.00 0.00 H new ATOM 0 HE2 MET A 47 3.975 4.816 -3.023 1.00 0.00 H new ATOM 0 HE3 MET A 47 4.370 4.923 -4.755 1.00 0.00 H new ATOM 729 N ALA A 48 5.643 9.405 -4.437 1.00 0.00 N ATOM 730 CA ALA A 48 7.061 9.673 -4.270 1.00 0.00 C ATOM 731 C ALA A 48 7.292 11.185 -4.257 1.00 0.00 C ATOM 732 O ALA A 48 8.067 11.692 -3.447 1.00 0.00 O ATOM 733 CB ALA A 48 7.847 8.973 -5.381 1.00 0.00 C ATOM 0 H ALA A 48 5.402 8.902 -5.291 1.00 0.00 H new ATOM 0 HA ALA A 48 7.417 9.277 -3.319 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.911 9.174 -5.256 1.00 0.00 H new ATOM 0 HB2 ALA A 48 7.672 7.898 -5.329 1.00 0.00 H new ATOM 0 HB3 ALA A 48 7.519 9.347 -6.351 1.00 0.00 H new ATOM 739 N GLN A 49 6.606 11.864 -5.164 1.00 0.00 N ATOM 740 CA GLN A 49 6.726 13.308 -5.267 1.00 0.00 C ATOM 741 C GLN A 49 6.527 13.956 -3.896 1.00 0.00 C ATOM 742 O GLN A 49 6.942 15.094 -3.676 1.00 0.00 O ATOM 743 CB GLN A 49 5.734 13.870 -6.288 1.00 0.00 C ATOM 744 CG GLN A 49 6.413 14.108 -7.638 1.00 0.00 C ATOM 745 CD GLN A 49 7.130 15.461 -7.660 1.00 0.00 C ATOM 746 OE1 GLN A 49 8.265 15.596 -7.235 1.00 0.00 O ATOM 747 NE2 GLN A 49 6.405 16.449 -8.177 1.00 0.00 N ATOM 0 H GLN A 49 5.965 11.441 -5.835 1.00 0.00 H new ATOM 0 HA GLN A 49 7.731 13.545 -5.617 1.00 0.00 H new ATOM 0 HB2 GLN A 49 4.902 13.176 -6.412 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.316 14.806 -5.917 1.00 0.00 H new ATOM 0 HG2 GLN A 49 7.129 13.310 -7.835 1.00 0.00 H new ATOM 0 HG3 GLN A 49 5.670 14.073 -8.434 1.00 0.00 H new ATOM 0 HE21 GLN A 49 5.460 16.266 -8.515 1.00 0.00 H new ATOM 0 HE22 GLN A 49 6.794 17.390 -8.236 1.00 0.00 H new ATOM 756 N ASN A 50 5.893 13.205 -3.007 1.00 0.00 N ATOM 757 CA ASN A 50 5.635 13.693 -1.663 1.00 0.00 C ATOM 758 C ASN A 50 5.888 12.566 -0.659 1.00 0.00 C ATOM 759 O ASN A 50 6.350 11.488 -1.033 1.00 0.00 O ATOM 760 CB ASN A 50 4.181 14.142 -1.510 1.00 0.00 C ATOM 761 CG ASN A 50 3.512 14.308 -2.877 1.00 0.00 C ATOM 762 OD1 ASN A 50 4.061 14.890 -3.798 1.00 0.00 O ATOM 763 ND2 ASN A 50 2.300 13.768 -2.955 1.00 0.00 N ATOM 0 H ASN A 50 5.550 12.262 -3.191 1.00 0.00 H new ATOM 0 HA ASN A 50 6.296 14.540 -1.479 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.631 13.410 -0.918 1.00 0.00 H new ATOM 0 HB3 ASN A 50 4.143 15.086 -0.966 1.00 0.00 H new ATOM 0 HD21 ASN A 50 1.770 13.827 -3.825 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.899 13.295 -2.145 1.00 0.00 H new ATOM 770 N PRO A 51 5.567 12.861 0.629 1.00 0.00 N ATOM 771 CA PRO A 51 5.755 11.885 1.689 1.00 0.00 C ATOM 772 C PRO A 51 4.679 10.800 1.633 1.00 0.00 C ATOM 773 O PRO A 51 3.557 11.055 1.200 1.00 0.00 O ATOM 774 CB PRO A 51 5.720 12.692 2.977 1.00 0.00 C ATOM 775 CG PRO A 51 5.052 14.011 2.623 1.00 0.00 C ATOM 776 CD PRO A 51 5.019 14.126 1.108 1.00 0.00 C ATOM 0 HA PRO A 51 6.696 11.343 1.600 1.00 0.00 H new ATOM 0 HB2 PRO A 51 5.162 12.167 3.752 1.00 0.00 H new ATOM 0 HB3 PRO A 51 6.726 12.855 3.364 1.00 0.00 H new ATOM 0 HG2 PRO A 51 4.042 14.049 3.031 1.00 0.00 H new ATOM 0 HG3 PRO A 51 5.602 14.846 3.057 1.00 0.00 H new ATOM 0 HD2 PRO A 51 4.003 14.280 0.745 1.00 0.00 H new ATOM 0 HD3 PRO A 51 5.613 14.972 0.762 1.00 0.00 H new ATOM 784 N HIS A 52 5.059 9.611 2.077 1.00 0.00 N ATOM 785 CA HIS A 52 4.140 8.485 2.083 1.00 0.00 C ATOM 786 C HIS A 52 4.682 7.384 2.997 1.00 0.00 C ATOM 787 O HIS A 52 5.880 7.333 3.269 1.00 0.00 O ATOM 788 CB HIS A 52 3.873 7.994 0.658 1.00 0.00 C ATOM 789 CG HIS A 52 5.070 7.360 -0.008 1.00 0.00 C ATOM 790 ND1 HIS A 52 6.168 8.090 -0.429 1.00 0.00 N ATOM 791 CD2 HIS A 52 5.330 6.057 -0.318 1.00 0.00 C ATOM 792 CE1 HIS A 52 7.043 7.254 -0.969 1.00 0.00 C ATOM 793 NE2 HIS A 52 6.522 5.995 -0.900 1.00 0.00 N ATOM 0 H HIS A 52 5.991 9.403 2.435 1.00 0.00 H new ATOM 0 HA HIS A 52 3.177 8.800 2.484 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.058 7.271 0.681 1.00 0.00 H new ATOM 0 HB3 HIS A 52 3.536 8.835 0.052 1.00 0.00 H new ATOM 0 HD1 HIS A 52 6.284 9.099 -0.339 1.00 0.00 H new ATOM 0 HD2 HIS A 52 4.677 5.219 -0.123 1.00 0.00 H new ATOM 0 HE1 HIS A 52 8.001 7.522 -1.390 1.00 0.00 H new ATOM 802 N HIS A 53 3.772 6.531 3.446 1.00 0.00 N ATOM 803 CA HIS A 53 4.145 5.434 4.324 1.00 0.00 C ATOM 804 C HIS A 53 3.242 4.230 4.050 1.00 0.00 C ATOM 805 O HIS A 53 3.201 3.288 4.841 1.00 0.00 O ATOM 806 CB HIS A 53 4.115 5.878 5.788 1.00 0.00 C ATOM 807 CG HIS A 53 4.513 4.796 6.764 1.00 0.00 C ATOM 808 ND1 HIS A 53 5.831 4.542 7.105 1.00 0.00 N ATOM 809 CD2 HIS A 53 3.755 3.908 7.469 1.00 0.00 C ATOM 810 CE1 HIS A 53 5.852 3.543 7.976 1.00 0.00 C ATOM 811 NE2 HIS A 53 4.565 3.152 8.200 1.00 0.00 N ATOM 0 H HIS A 53 2.779 6.577 3.219 1.00 0.00 H new ATOM 0 HA HIS A 53 5.171 5.129 4.118 1.00 0.00 H new ATOM 0 HB2 HIS A 53 4.783 6.730 5.913 1.00 0.00 H new ATOM 0 HB3 HIS A 53 3.110 6.223 6.032 1.00 0.00 H new ATOM 0 HD2 HIS A 53 2.678 3.833 7.438 1.00 0.00 H new ATOM 0 HE1 HIS A 53 6.734 3.114 8.429 1.00 0.00 H new ATOM 0 HE2 HIS A 53 4.273 2.402 8.826 1.00 0.00 H new ATOM 820 N LEU A 54 2.540 4.299 2.929 1.00 0.00 N ATOM 821 CA LEU A 54 1.641 3.226 2.542 1.00 0.00 C ATOM 822 C LEU A 54 1.411 3.279 1.030 1.00 0.00 C ATOM 823 O LEU A 54 1.169 4.350 0.472 1.00 0.00 O ATOM 824 CB LEU A 54 0.351 3.285 3.362 1.00 0.00 C ATOM 825 CG LEU A 54 0.226 2.259 4.491 1.00 0.00 C ATOM 826 CD1 LEU A 54 0.116 2.952 5.850 1.00 0.00 C ATOM 827 CD2 LEU A 54 -0.941 1.304 4.237 1.00 0.00 C ATOM 0 H LEU A 54 2.576 5.082 2.276 1.00 0.00 H new ATOM 0 HA LEU A 54 2.088 2.257 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 54 0.263 4.282 3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -0.493 3.155 2.685 1.00 0.00 H new ATOM 0 HG LEU A 54 1.135 1.657 4.509 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.028 2.201 6.635 1.00 0.00 H new ATOM 0 HD12 LEU A 54 1.007 3.556 6.023 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.765 3.593 5.861 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -1.007 0.585 5.054 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.869 1.872 4.177 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.779 0.773 3.299 1.00 0.00 H new ATOM 839 N VAL A 55 1.493 2.112 0.408 1.00 0.00 N ATOM 840 CA VAL A 55 1.297 2.013 -1.028 1.00 0.00 C ATOM 841 C VAL A 55 0.373 0.831 -1.331 1.00 0.00 C ATOM 842 O VAL A 55 0.829 -0.306 -1.437 1.00 0.00 O ATOM 843 CB VAL A 55 2.650 1.910 -1.734 1.00 0.00 C ATOM 844 CG1 VAL A 55 2.481 1.979 -3.253 1.00 0.00 C ATOM 845 CG2 VAL A 55 3.610 2.995 -1.240 1.00 0.00 C ATOM 0 H VAL A 55 1.693 1.226 0.873 1.00 0.00 H new ATOM 0 HA VAL A 55 0.813 2.911 -1.411 1.00 0.00 H new ATOM 0 HB VAL A 55 3.084 0.941 -1.488 1.00 0.00 H new ATOM 0 HG11 VAL A 55 3.457 1.904 -3.732 1.00 0.00 H new ATOM 0 HG12 VAL A 55 1.849 1.156 -3.587 1.00 0.00 H new ATOM 0 HG13 VAL A 55 2.016 2.927 -3.525 1.00 0.00 H new ATOM 0 HG21 VAL A 55 4.564 2.899 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 55 3.184 3.978 -1.443 1.00 0.00 H new ATOM 0 HG23 VAL A 55 3.766 2.882 -0.167 1.00 0.00 H new ATOM 855 N ILE A 56 -0.909 1.142 -1.461 1.00 0.00 N ATOM 856 CA ILE A 56 -1.900 0.120 -1.751 1.00 0.00 C ATOM 857 C ILE A 56 -2.495 0.372 -3.138 1.00 0.00 C ATOM 858 O ILE A 56 -2.766 1.515 -3.503 1.00 0.00 O ATOM 859 CB ILE A 56 -2.946 0.057 -0.635 1.00 0.00 C ATOM 860 CG1 ILE A 56 -4.213 0.819 -1.027 1.00 0.00 C ATOM 861 CG2 ILE A 56 -2.365 0.555 0.689 1.00 0.00 C ATOM 862 CD1 ILE A 56 -5.111 -0.037 -1.924 1.00 0.00 C ATOM 0 H ILE A 56 -1.284 2.086 -1.371 1.00 0.00 H new ATOM 0 HA ILE A 56 -1.435 -0.866 -1.777 1.00 0.00 H new ATOM 0 HB ILE A 56 -3.229 -0.986 -0.491 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -4.760 1.109 -0.130 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -3.943 1.738 -1.547 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -3.128 0.500 1.465 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.516 -0.067 0.971 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -2.036 1.588 0.576 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -6.005 0.528 -2.189 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -4.569 -0.305 -2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -5.399 -0.944 -1.392 1.00 0.00 H new ATOM 874 N SER A 57 -2.681 -0.715 -3.873 1.00 0.00 N ATOM 875 CA SER A 57 -3.240 -0.627 -5.211 1.00 0.00 C ATOM 876 C SER A 57 -4.130 -1.841 -5.488 1.00 0.00 C ATOM 877 O SER A 57 -4.149 -2.791 -4.708 1.00 0.00 O ATOM 878 CB SER A 57 -2.134 -0.529 -6.264 1.00 0.00 C ATOM 879 OG SER A 57 -2.312 -1.473 -7.315 1.00 0.00 O ATOM 0 H SER A 57 -2.454 -1.661 -3.567 1.00 0.00 H new ATOM 0 HA SER A 57 -3.843 0.279 -5.271 1.00 0.00 H new ATOM 0 HB2 SER A 57 -2.118 0.478 -6.680 1.00 0.00 H new ATOM 0 HB3 SER A 57 -1.166 -0.693 -5.790 1.00 0.00 H new ATOM 0 HG SER A 57 -1.587 -1.377 -7.967 1.00 0.00 H new ATOM 885 N ASP A 58 -4.845 -1.768 -6.602 1.00 0.00 N ATOM 886 CA ASP A 58 -5.734 -2.849 -6.991 1.00 0.00 C ATOM 887 C ASP A 58 -5.027 -3.743 -8.013 1.00 0.00 C ATOM 888 O ASP A 58 -3.842 -3.560 -8.286 1.00 0.00 O ATOM 889 CB ASP A 58 -7.009 -2.307 -7.641 1.00 0.00 C ATOM 890 CG ASP A 58 -8.312 -2.881 -7.083 1.00 0.00 C ATOM 891 OD1 ASP A 58 -8.325 -3.189 -5.872 1.00 0.00 O ATOM 892 OD2 ASP A 58 -9.267 -2.998 -7.882 1.00 0.00 O ATOM 0 H ASP A 58 -4.826 -0.978 -7.246 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.996 -3.409 -6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -7.027 -1.224 -7.523 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.968 -2.511 -8.711 1.00 0.00 H new ATOM 897 N PHE A 59 -5.784 -4.689 -8.547 1.00 0.00 N ATOM 898 CA PHE A 59 -5.245 -5.612 -9.532 1.00 0.00 C ATOM 899 C PHE A 59 -5.945 -5.443 -10.882 1.00 0.00 C ATOM 900 O PHE A 59 -5.870 -6.322 -11.738 1.00 0.00 O ATOM 901 CB PHE A 59 -5.505 -7.026 -9.009 1.00 0.00 C ATOM 902 CG PHE A 59 -6.903 -7.225 -8.422 1.00 0.00 C ATOM 903 CD1 PHE A 59 -7.944 -6.479 -8.878 1.00 0.00 C ATOM 904 CD2 PHE A 59 -7.106 -8.148 -7.444 1.00 0.00 C ATOM 905 CE1 PHE A 59 -9.243 -6.663 -8.332 1.00 0.00 C ATOM 906 CE2 PHE A 59 -8.404 -8.332 -6.899 1.00 0.00 C ATOM 907 CZ PHE A 59 -9.445 -7.587 -7.355 1.00 0.00 C ATOM 0 H PHE A 59 -6.767 -4.837 -8.317 1.00 0.00 H new ATOM 0 HA PHE A 59 -4.182 -5.422 -9.678 1.00 0.00 H new ATOM 0 HB2 PHE A 59 -5.360 -7.736 -9.823 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -4.764 -7.262 -8.245 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -7.784 -5.746 -9.655 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -6.279 -8.741 -7.082 1.00 0.00 H new ATOM 0 HE1 PHE A 59 -10.070 -6.069 -8.693 1.00 0.00 H new ATOM 0 HE2 PHE A 59 -8.564 -9.064 -6.122 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.433 -7.729 -6.942 1.00 0.00 H new ATOM 917 N ASN A 60 -6.608 -4.306 -11.030 1.00 0.00 N ATOM 918 CA ASN A 60 -7.320 -4.010 -12.261 1.00 0.00 C ATOM 919 C ASN A 60 -6.329 -3.994 -13.427 1.00 0.00 C ATOM 920 O ASN A 60 -6.206 -4.979 -14.154 1.00 0.00 O ATOM 921 CB ASN A 60 -7.991 -2.637 -12.194 1.00 0.00 C ATOM 922 CG ASN A 60 -9.515 -2.772 -12.180 1.00 0.00 C ATOM 923 OD1 ASN A 60 -10.188 -2.608 -13.184 1.00 0.00 O ATOM 924 ND2 ASN A 60 -10.020 -3.079 -10.988 1.00 0.00 N ATOM 0 H ASN A 60 -6.667 -3.578 -10.318 1.00 0.00 H new ATOM 0 HA ASN A 60 -8.081 -4.777 -12.402 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -7.661 -2.110 -11.299 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -7.683 -2.036 -13.050 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -11.027 -3.191 -10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -9.400 -3.203 -10.188 1.00 0.00 H new ATOM 931 N MET A 61 -5.649 -2.867 -13.569 1.00 0.00 N ATOM 932 CA MET A 61 -4.673 -2.710 -14.634 1.00 0.00 C ATOM 933 C MET A 61 -3.645 -1.633 -14.283 1.00 0.00 C ATOM 934 O MET A 61 -3.353 -0.759 -15.097 1.00 0.00 O ATOM 935 CB MET A 61 -5.390 -2.329 -15.931 1.00 0.00 C ATOM 936 CG MET A 61 -6.806 -2.906 -15.965 1.00 0.00 C ATOM 937 SD MET A 61 -7.668 -2.325 -17.417 1.00 0.00 S ATOM 938 CE MET A 61 -8.116 -3.885 -18.157 1.00 0.00 C ATOM 0 H MET A 61 -5.754 -2.053 -12.964 1.00 0.00 H new ATOM 0 HA MET A 61 -4.148 -3.657 -14.763 1.00 0.00 H new ATOM 0 HB2 MET A 61 -5.434 -1.244 -16.021 1.00 0.00 H new ATOM 0 HB3 MET A 61 -4.823 -2.697 -16.786 1.00 0.00 H new ATOM 0 HG2 MET A 61 -6.764 -3.995 -15.969 1.00 0.00 H new ATOM 0 HG3 MET A 61 -7.349 -2.611 -15.067 1.00 0.00 H new ATOM 0 HE1 MET A 61 -8.665 -3.705 -19.081 1.00 0.00 H new ATOM 0 HE2 MET A 61 -7.214 -4.456 -18.377 1.00 0.00 H new ATOM 0 HE3 MET A 61 -8.743 -4.449 -17.466 1.00 0.00 H new ATOM 948 N PRO A 62 -3.112 -1.733 -13.036 1.00 0.00 N ATOM 949 CA PRO A 62 -2.123 -0.777 -12.566 1.00 0.00 C ATOM 950 C PRO A 62 -0.760 -1.039 -13.209 1.00 0.00 C ATOM 951 O PRO A 62 -0.348 -2.189 -13.353 1.00 0.00 O ATOM 952 CB PRO A 62 -2.109 -0.938 -11.055 1.00 0.00 C ATOM 953 CG PRO A 62 -2.743 -2.290 -10.773 1.00 0.00 C ATOM 954 CD PRO A 62 -3.435 -2.754 -12.043 1.00 0.00 C ATOM 0 HA PRO A 62 -2.364 0.250 -12.841 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -1.091 -0.896 -10.667 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -2.668 -0.136 -10.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -1.985 -3.011 -10.466 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -3.459 -2.213 -9.955 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -3.076 -3.735 -12.353 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -4.512 -2.839 -11.899 1.00 0.00 H new ATOM 962 N LYS A 63 -0.096 0.047 -13.576 1.00 0.00 N ATOM 963 CA LYS A 63 1.213 -0.051 -14.199 1.00 0.00 C ATOM 964 C LYS A 63 2.260 -0.372 -13.130 1.00 0.00 C ATOM 965 O LYS A 63 3.341 -0.867 -13.444 1.00 0.00 O ATOM 966 CB LYS A 63 1.521 1.216 -15.000 1.00 0.00 C ATOM 967 CG LYS A 63 0.564 1.360 -16.186 1.00 0.00 C ATOM 968 CD LYS A 63 0.507 0.070 -17.005 1.00 0.00 C ATOM 969 CE LYS A 63 0.112 0.357 -18.455 1.00 0.00 C ATOM 970 NZ LYS A 63 1.246 0.082 -19.365 1.00 0.00 N ATOM 0 H LYS A 63 -0.440 0.999 -13.454 1.00 0.00 H new ATOM 0 HA LYS A 63 1.231 -0.869 -14.919 1.00 0.00 H new ATOM 0 HB2 LYS A 63 1.438 2.089 -14.353 1.00 0.00 H new ATOM 0 HB3 LYS A 63 2.549 1.182 -15.360 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -0.434 1.610 -15.824 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.888 2.184 -16.821 1.00 0.00 H new ATOM 0 HD2 LYS A 63 1.478 -0.424 -16.980 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -0.211 -0.617 -16.558 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -0.743 -0.259 -18.734 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -0.198 1.397 -18.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 0.961 0.282 -20.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 2.052 0.687 -19.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 1.523 -0.917 -19.282 1.00 0.00 H new ATOM 984 N MET A 64 1.901 -0.076 -11.889 1.00 0.00 N ATOM 985 CA MET A 64 2.796 -0.327 -10.772 1.00 0.00 C ATOM 986 C MET A 64 2.042 -0.943 -9.593 1.00 0.00 C ATOM 987 O MET A 64 1.638 -0.237 -8.671 1.00 0.00 O ATOM 988 CB MET A 64 3.444 0.988 -10.333 1.00 0.00 C ATOM 989 CG MET A 64 4.878 0.758 -9.852 1.00 0.00 C ATOM 990 SD MET A 64 5.836 2.251 -10.051 1.00 0.00 S ATOM 991 CE MET A 64 7.386 1.554 -10.595 1.00 0.00 C ATOM 0 H MET A 64 1.003 0.335 -11.633 1.00 0.00 H new ATOM 0 HA MET A 64 3.563 -1.031 -11.096 1.00 0.00 H new ATOM 0 HB2 MET A 64 3.444 1.693 -11.164 1.00 0.00 H new ATOM 0 HB3 MET A 64 2.856 1.438 -9.533 1.00 0.00 H new ATOM 0 HG2 MET A 64 4.875 0.455 -8.805 1.00 0.00 H new ATOM 0 HG3 MET A 64 5.334 -0.055 -10.418 1.00 0.00 H new ATOM 0 HE1 MET A 64 8.192 2.260 -10.397 1.00 0.00 H new ATOM 0 HE2 MET A 64 7.576 0.626 -10.057 1.00 0.00 H new ATOM 0 HE3 MET A 64 7.338 1.350 -11.665 1.00 0.00 H new ATOM 1001 N ASP A 65 1.874 -2.256 -9.661 1.00 0.00 N ATOM 1002 CA ASP A 65 1.174 -2.977 -8.611 1.00 0.00 C ATOM 1003 C ASP A 65 2.102 -3.138 -7.405 1.00 0.00 C ATOM 1004 O ASP A 65 3.284 -2.806 -7.477 1.00 0.00 O ATOM 1005 CB ASP A 65 0.764 -4.373 -9.081 1.00 0.00 C ATOM 1006 CG ASP A 65 -0.075 -5.171 -8.081 1.00 0.00 C ATOM 1007 OD1 ASP A 65 0.545 -5.834 -7.221 1.00 0.00 O ATOM 1008 OD2 ASP A 65 -1.318 -5.101 -8.197 1.00 0.00 O ATOM 0 H ASP A 65 2.211 -2.839 -10.427 1.00 0.00 H new ATOM 0 HA ASP A 65 0.282 -2.409 -8.348 1.00 0.00 H new ATOM 0 HB2 ASP A 65 0.201 -4.277 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 65 1.665 -4.941 -9.312 1.00 0.00 H new ATOM 1013 N GLY A 66 1.531 -3.648 -6.323 1.00 0.00 N ATOM 1014 CA GLY A 66 2.292 -3.856 -5.103 1.00 0.00 C ATOM 1015 C GLY A 66 3.744 -4.220 -5.418 1.00 0.00 C ATOM 1016 O GLY A 66 4.667 -3.524 -4.997 1.00 0.00 O ATOM 0 H GLY A 66 0.550 -3.923 -6.266 1.00 0.00 H new ATOM 0 HA2 GLY A 66 2.264 -2.952 -4.494 1.00 0.00 H new ATOM 0 HA3 GLY A 66 1.833 -4.651 -4.515 1.00 0.00 H new ATOM 1020 N LEU A 67 3.901 -5.309 -6.156 1.00 0.00 N ATOM 1021 CA LEU A 67 5.226 -5.773 -6.532 1.00 0.00 C ATOM 1022 C LEU A 67 5.950 -4.665 -7.300 1.00 0.00 C ATOM 1023 O LEU A 67 7.116 -4.380 -7.033 1.00 0.00 O ATOM 1024 CB LEU A 67 5.134 -7.093 -7.300 1.00 0.00 C ATOM 1025 CG LEU A 67 4.522 -8.270 -6.537 1.00 0.00 C ATOM 1026 CD1 LEU A 67 5.220 -9.582 -6.902 1.00 0.00 C ATOM 1027 CD2 LEU A 67 4.537 -8.013 -5.029 1.00 0.00 C ATOM 0 H LEU A 67 3.133 -5.883 -6.504 1.00 0.00 H new ATOM 0 HA LEU A 67 5.820 -5.988 -5.644 1.00 0.00 H new ATOM 0 HB2 LEU A 67 4.546 -6.925 -8.203 1.00 0.00 H new ATOM 0 HB3 LEU A 67 6.137 -7.375 -7.620 1.00 0.00 H new ATOM 0 HG LEU A 67 3.478 -8.366 -6.837 1.00 0.00 H new ATOM 0 HD11 LEU A 67 4.766 -10.402 -6.346 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.114 -9.765 -7.971 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.278 -9.514 -6.649 1.00 0.00 H new ATOM 0 HD21 LEU A 67 4.097 -8.865 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 67 5.565 -7.876 -4.693 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.960 -7.115 -4.807 1.00 0.00 H new ATOM 1039 N GLY A 68 5.229 -4.071 -8.239 1.00 0.00 N ATOM 1040 CA GLY A 68 5.789 -3.001 -9.048 1.00 0.00 C ATOM 1041 C GLY A 68 6.326 -1.872 -8.167 1.00 0.00 C ATOM 1042 O GLY A 68 7.405 -1.339 -8.423 1.00 0.00 O ATOM 0 H GLY A 68 4.262 -4.310 -8.458 1.00 0.00 H new ATOM 0 HA2 GLY A 68 6.592 -3.394 -9.672 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.025 -2.611 -9.720 1.00 0.00 H new ATOM 1046 N LEU A 69 5.550 -1.540 -7.146 1.00 0.00 N ATOM 1047 CA LEU A 69 5.935 -0.484 -6.225 1.00 0.00 C ATOM 1048 C LEU A 69 7.205 -0.900 -5.481 1.00 0.00 C ATOM 1049 O LEU A 69 8.088 -0.076 -5.244 1.00 0.00 O ATOM 1050 CB LEU A 69 4.769 -0.128 -5.300 1.00 0.00 C ATOM 1051 CG LEU A 69 3.463 0.272 -5.990 1.00 0.00 C ATOM 1052 CD1 LEU A 69 2.267 -0.442 -5.357 1.00 0.00 C ATOM 1053 CD2 LEU A 69 3.288 1.792 -5.993 1.00 0.00 C ATOM 0 H LEU A 69 4.656 -1.984 -6.936 1.00 0.00 H new ATOM 0 HA LEU A 69 6.170 0.430 -6.770 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.569 -0.984 -4.655 1.00 0.00 H new ATOM 0 HB3 LEU A 69 5.081 0.692 -4.654 1.00 0.00 H new ATOM 0 HG LEU A 69 3.514 -0.048 -7.031 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.352 -0.140 -5.866 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.396 -1.520 -5.451 1.00 0.00 H new ATOM 0 HD13 LEU A 69 2.201 -0.175 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 69 2.352 2.050 -6.489 1.00 0.00 H new ATOM 0 HD22 LEU A 69 3.267 2.158 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 69 4.120 2.253 -6.526 1.00 0.00 H new ATOM 1065 N LEU A 70 7.258 -2.177 -5.133 1.00 0.00 N ATOM 1066 CA LEU A 70 8.405 -2.712 -4.421 1.00 0.00 C ATOM 1067 C LEU A 70 9.665 -2.508 -5.264 1.00 0.00 C ATOM 1068 O LEU A 70 10.681 -2.029 -4.762 1.00 0.00 O ATOM 1069 CB LEU A 70 8.159 -4.171 -4.027 1.00 0.00 C ATOM 1070 CG LEU A 70 8.997 -5.215 -4.767 1.00 0.00 C ATOM 1071 CD1 LEU A 70 10.492 -4.983 -4.537 1.00 0.00 C ATOM 1072 CD2 LEU A 70 8.572 -6.633 -4.380 1.00 0.00 C ATOM 0 H LEU A 70 6.524 -2.857 -5.331 1.00 0.00 H new ATOM 0 HA LEU A 70 8.556 -2.174 -3.485 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.346 -4.275 -2.958 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.105 -4.398 -4.189 1.00 0.00 H new ATOM 0 HG LEU A 70 8.815 -5.103 -5.836 1.00 0.00 H new ATOM 0 HD11 LEU A 70 11.064 -5.739 -5.074 1.00 0.00 H new ATOM 0 HD12 LEU A 70 10.767 -3.993 -4.901 1.00 0.00 H new ATOM 0 HD13 LEU A 70 10.711 -5.051 -3.471 1.00 0.00 H new ATOM 0 HD21 LEU A 70 9.183 -7.356 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.707 -6.773 -3.307 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.523 -6.781 -4.636 1.00 0.00 H new ATOM 1084 N GLN A 71 9.557 -2.879 -6.531 1.00 0.00 N ATOM 1085 CA GLN A 71 10.674 -2.742 -7.449 1.00 0.00 C ATOM 1086 C GLN A 71 11.074 -1.270 -7.584 1.00 0.00 C ATOM 1087 O GLN A 71 12.239 -0.959 -7.822 1.00 0.00 O ATOM 1088 CB GLN A 71 10.341 -3.347 -8.814 1.00 0.00 C ATOM 1089 CG GLN A 71 10.559 -2.327 -9.935 1.00 0.00 C ATOM 1090 CD GLN A 71 10.076 -2.876 -11.278 1.00 0.00 C ATOM 1091 OE1 GLN A 71 10.320 -4.016 -11.635 1.00 0.00 O ATOM 1092 NE2 GLN A 71 9.379 -2.004 -12.000 1.00 0.00 N ATOM 0 H GLN A 71 8.712 -3.275 -6.944 1.00 0.00 H new ATOM 0 HA GLN A 71 11.522 -3.293 -7.042 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.965 -4.224 -8.989 1.00 0.00 H new ATOM 0 HB3 GLN A 71 9.305 -3.686 -8.822 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.025 -1.406 -9.702 1.00 0.00 H new ATOM 0 HG3 GLN A 71 11.617 -2.074 -10.001 1.00 0.00 H new ATOM 0 HE21 GLN A 71 9.211 -1.064 -11.641 1.00 0.00 H new ATOM 0 HE22 GLN A 71 9.012 -2.275 -12.912 1.00 0.00 H new ATOM 1101 N ALA A 72 10.082 -0.405 -7.426 1.00 0.00 N ATOM 1102 CA ALA A 72 10.315 1.026 -7.527 1.00 0.00 C ATOM 1103 C ALA A 72 11.062 1.505 -6.281 1.00 0.00 C ATOM 1104 O ALA A 72 12.021 2.269 -6.384 1.00 0.00 O ATOM 1105 CB ALA A 72 8.981 1.748 -7.721 1.00 0.00 C ATOM 0 H ALA A 72 9.116 -0.667 -7.229 1.00 0.00 H new ATOM 0 HA ALA A 72 10.937 1.254 -8.392 1.00 0.00 H new ATOM 0 HB1 ALA A 72 9.156 2.821 -7.797 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.504 1.393 -8.635 1.00 0.00 H new ATOM 0 HB3 ALA A 72 8.331 1.545 -6.870 1.00 0.00 H new ATOM 1111 N VAL A 73 10.593 1.039 -5.133 1.00 0.00 N ATOM 1112 CA VAL A 73 11.205 1.411 -3.869 1.00 0.00 C ATOM 1113 C VAL A 73 12.692 1.056 -3.903 1.00 0.00 C ATOM 1114 O VAL A 73 13.520 1.782 -3.354 1.00 0.00 O ATOM 1115 CB VAL A 73 10.458 0.747 -2.711 1.00 0.00 C ATOM 1116 CG1 VAL A 73 8.945 0.788 -2.938 1.00 0.00 C ATOM 1117 CG2 VAL A 73 10.942 -0.688 -2.497 1.00 0.00 C ATOM 0 H VAL A 73 9.796 0.407 -5.052 1.00 0.00 H new ATOM 0 HA VAL A 73 11.132 2.487 -3.711 1.00 0.00 H new ATOM 0 HB VAL A 73 10.676 1.312 -1.805 1.00 0.00 H new ATOM 0 HG11 VAL A 73 8.438 0.309 -2.100 1.00 0.00 H new ATOM 0 HG12 VAL A 73 8.617 1.824 -3.016 1.00 0.00 H new ATOM 0 HG13 VAL A 73 8.701 0.259 -3.859 1.00 0.00 H new ATOM 0 HG21 VAL A 73 10.395 -1.137 -1.668 1.00 0.00 H new ATOM 0 HG22 VAL A 73 10.769 -1.269 -3.403 1.00 0.00 H new ATOM 0 HG23 VAL A 73 12.008 -0.682 -2.267 1.00 0.00 H new ATOM 1127 N ARG A 74 12.987 -0.061 -4.552 1.00 0.00 N ATOM 1128 CA ARG A 74 14.361 -0.521 -4.664 1.00 0.00 C ATOM 1129 C ARG A 74 15.214 0.525 -5.384 1.00 0.00 C ATOM 1130 O ARG A 74 16.438 0.519 -5.269 1.00 0.00 O ATOM 1131 CB ARG A 74 14.437 -1.845 -5.429 1.00 0.00 C ATOM 1132 CG ARG A 74 14.295 -3.035 -4.478 1.00 0.00 C ATOM 1133 CD ARG A 74 14.531 -4.355 -5.214 1.00 0.00 C ATOM 1134 NE ARG A 74 15.979 -4.552 -5.447 1.00 0.00 N ATOM 1135 CZ ARG A 74 16.870 -4.803 -4.477 1.00 0.00 C ATOM 1136 NH1 ARG A 74 16.464 -4.888 -3.202 1.00 0.00 N ATOM 1137 NH2 ARG A 74 18.163 -4.968 -4.780 1.00 0.00 N ATOM 0 H ARG A 74 12.298 -0.661 -5.006 1.00 0.00 H new ATOM 0 HA ARG A 74 14.743 -0.674 -3.655 1.00 0.00 H new ATOM 0 HB2 ARG A 74 13.649 -1.880 -6.182 1.00 0.00 H new ATOM 0 HB3 ARG A 74 15.387 -1.909 -5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 74 15.008 -2.938 -3.659 1.00 0.00 H new ATOM 0 HG3 ARG A 74 13.299 -3.034 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 74 14.132 -5.184 -4.629 1.00 0.00 H new ATOM 0 HD3 ARG A 74 13.998 -4.351 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 74 16.321 -4.493 -6.406 1.00 0.00 H new ATOM 0 HH11 ARG A 74 15.479 -4.762 -2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 74 17.141 -5.079 -2.463 1.00 0.00 H new ATOM 0 HH21 ARG A 74 18.472 -4.903 -5.750 1.00 0.00 H new ATOM 0 HH22 ARG A 74 18.840 -5.159 -4.041 1.00 0.00 H new ATOM 1151 N ALA A 75 14.533 1.400 -6.110 1.00 0.00 N ATOM 1152 CA ALA A 75 15.213 2.450 -6.849 1.00 0.00 C ATOM 1153 C ALA A 75 15.128 3.758 -6.061 1.00 0.00 C ATOM 1154 O ALA A 75 15.965 4.644 -6.229 1.00 0.00 O ATOM 1155 CB ALA A 75 14.602 2.570 -8.247 1.00 0.00 C ATOM 0 H ALA A 75 13.517 1.403 -6.202 1.00 0.00 H new ATOM 0 HA ALA A 75 16.268 2.209 -6.975 1.00 0.00 H new ATOM 0 HB1 ALA A 75 15.113 3.358 -8.801 1.00 0.00 H new ATOM 0 HB2 ALA A 75 14.714 1.623 -8.776 1.00 0.00 H new ATOM 0 HB3 ALA A 75 13.543 2.814 -8.162 1.00 0.00 H new ATOM 1161 N ASN A 76 14.110 3.839 -5.218 1.00 0.00 N ATOM 1162 CA ASN A 76 13.904 5.024 -4.403 1.00 0.00 C ATOM 1163 C ASN A 76 13.823 4.618 -2.930 1.00 0.00 C ATOM 1164 O ASN A 76 12.879 3.943 -2.520 1.00 0.00 O ATOM 1165 CB ASN A 76 12.596 5.727 -4.773 1.00 0.00 C ATOM 1166 CG ASN A 76 12.749 7.248 -4.689 1.00 0.00 C ATOM 1167 OD1 ASN A 76 13.808 7.805 -4.924 1.00 0.00 O ATOM 1168 ND2 ASN A 76 11.633 7.884 -4.343 1.00 0.00 N ATOM 0 H ASN A 76 13.418 3.102 -5.081 1.00 0.00 H new ATOM 0 HA ASN A 76 14.739 5.702 -4.578 1.00 0.00 H new ATOM 0 HB2 ASN A 76 12.299 5.443 -5.783 1.00 0.00 H new ATOM 0 HB3 ASN A 76 11.801 5.400 -4.103 1.00 0.00 H new ATOM 0 HD21 ASN A 76 11.630 8.901 -4.260 1.00 0.00 H new ATOM 0 HD22 ASN A 76 10.780 7.355 -4.160 1.00 0.00 H new ATOM 1175 N PRO A 77 14.849 5.058 -2.154 1.00 0.00 N ATOM 1176 CA PRO A 77 14.901 4.747 -0.736 1.00 0.00 C ATOM 1177 C PRO A 77 13.899 5.597 0.049 1.00 0.00 C ATOM 1178 O PRO A 77 13.719 5.399 1.250 1.00 0.00 O ATOM 1179 CB PRO A 77 16.343 5.005 -0.330 1.00 0.00 C ATOM 1180 CG PRO A 77 16.931 5.889 -1.418 1.00 0.00 C ATOM 1181 CD PRO A 77 15.982 5.860 -2.605 1.00 0.00 C ATOM 0 HA PRO A 77 14.618 3.717 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 77 16.393 5.496 0.642 1.00 0.00 H new ATOM 0 HB3 PRO A 77 16.898 4.071 -0.244 1.00 0.00 H new ATOM 0 HG2 PRO A 77 17.057 6.909 -1.055 1.00 0.00 H new ATOM 0 HG3 PRO A 77 17.918 5.530 -1.709 1.00 0.00 H new ATOM 0 HD2 PRO A 77 15.669 6.865 -2.886 1.00 0.00 H new ATOM 0 HD3 PRO A 77 16.457 5.418 -3.481 1.00 0.00 H new ATOM 1189 N ALA A 78 13.272 6.522 -0.662 1.00 0.00 N ATOM 1190 CA ALA A 78 12.293 7.402 -0.047 1.00 0.00 C ATOM 1191 C ALA A 78 10.995 6.626 0.191 1.00 0.00 C ATOM 1192 O ALA A 78 10.278 6.889 1.155 1.00 0.00 O ATOM 1193 CB ALA A 78 12.083 8.631 -0.933 1.00 0.00 C ATOM 0 H ALA A 78 13.423 6.681 -1.658 1.00 0.00 H new ATOM 0 HA ALA A 78 12.649 7.755 0.921 1.00 0.00 H new ATOM 0 HB1 ALA A 78 11.349 9.291 -0.471 1.00 0.00 H new ATOM 0 HB2 ALA A 78 13.028 9.163 -1.047 1.00 0.00 H new ATOM 0 HB3 ALA A 78 11.723 8.316 -1.912 1.00 0.00 H new ATOM 1199 N THR A 79 10.733 5.686 -0.705 1.00 0.00 N ATOM 1200 CA THR A 79 9.534 4.870 -0.605 1.00 0.00 C ATOM 1201 C THR A 79 9.885 3.466 -0.108 1.00 0.00 C ATOM 1202 O THR A 79 9.028 2.585 -0.071 1.00 0.00 O ATOM 1203 CB THR A 79 8.843 4.876 -1.969 1.00 0.00 C ATOM 1204 OG1 THR A 79 7.726 4.009 -1.797 1.00 0.00 O ATOM 1205 CG2 THR A 79 9.681 4.194 -3.054 1.00 0.00 C ATOM 0 H THR A 79 11.330 5.471 -1.504 1.00 0.00 H new ATOM 0 HA THR A 79 8.839 5.277 0.129 1.00 0.00 H new ATOM 0 HB THR A 79 8.634 5.904 -2.265 1.00 0.00 H new ATOM 0 HG1 THR A 79 6.956 4.526 -1.481 1.00 0.00 H new ATOM 0 HG21 THR A 79 9.144 4.226 -4.002 1.00 0.00 H new ATOM 0 HG22 THR A 79 10.633 4.714 -3.158 1.00 0.00 H new ATOM 0 HG23 THR A 79 9.863 3.156 -2.775 1.00 0.00 H new ATOM 1213 N LYS A 80 11.147 3.302 0.263 1.00 0.00 N ATOM 1214 CA LYS A 80 11.621 2.021 0.757 1.00 0.00 C ATOM 1215 C LYS A 80 11.054 1.776 2.156 1.00 0.00 C ATOM 1216 O LYS A 80 11.039 0.644 2.635 1.00 0.00 O ATOM 1217 CB LYS A 80 13.148 1.953 0.691 1.00 0.00 C ATOM 1218 CG LYS A 80 13.783 2.797 1.798 1.00 0.00 C ATOM 1219 CD LYS A 80 14.369 1.909 2.897 1.00 0.00 C ATOM 1220 CE LYS A 80 13.403 1.787 4.077 1.00 0.00 C ATOM 1221 NZ LYS A 80 12.960 0.384 4.242 1.00 0.00 N ATOM 0 H LYS A 80 11.855 4.035 0.231 1.00 0.00 H new ATOM 0 HA LYS A 80 11.261 1.212 0.122 1.00 0.00 H new ATOM 0 HB2 LYS A 80 13.474 0.917 0.786 1.00 0.00 H new ATOM 0 HB3 LYS A 80 13.490 2.306 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 80 14.568 3.425 1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 80 13.035 3.465 2.225 1.00 0.00 H new ATOM 0 HD2 LYS A 80 14.583 0.919 2.494 1.00 0.00 H new ATOM 0 HD3 LYS A 80 15.316 2.326 3.240 1.00 0.00 H new ATOM 0 HE2 LYS A 80 13.890 2.131 4.990 1.00 0.00 H new ATOM 0 HE3 LYS A 80 12.539 2.431 3.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 11.957 0.303 3.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 13.530 -0.234 3.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 13.081 0.096 5.234 1.00 0.00 H new ATOM 1235 N LYS A 81 10.602 2.858 2.774 1.00 0.00 N ATOM 1236 CA LYS A 81 10.035 2.775 4.110 1.00 0.00 C ATOM 1237 C LYS A 81 8.509 2.805 4.014 1.00 0.00 C ATOM 1238 O LYS A 81 7.822 2.891 5.031 1.00 0.00 O ATOM 1239 CB LYS A 81 10.617 3.870 5.007 1.00 0.00 C ATOM 1240 CG LYS A 81 9.939 5.216 4.740 1.00 0.00 C ATOM 1241 CD LYS A 81 8.682 5.375 5.595 1.00 0.00 C ATOM 1242 CE LYS A 81 8.638 6.756 6.254 1.00 0.00 C ATOM 1243 NZ LYS A 81 8.262 6.638 7.681 1.00 0.00 N ATOM 0 H LYS A 81 10.617 3.796 2.374 1.00 0.00 H new ATOM 0 HA LYS A 81 10.306 1.831 4.582 1.00 0.00 H new ATOM 0 HB2 LYS A 81 10.487 3.595 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 81 11.689 3.958 4.831 1.00 0.00 H new ATOM 0 HG2 LYS A 81 10.635 6.027 4.956 1.00 0.00 H new ATOM 0 HG3 LYS A 81 9.677 5.293 3.685 1.00 0.00 H new ATOM 0 HD2 LYS A 81 7.796 5.235 4.975 1.00 0.00 H new ATOM 0 HD3 LYS A 81 8.659 4.601 6.362 1.00 0.00 H new ATOM 0 HE2 LYS A 81 9.612 7.238 6.167 1.00 0.00 H new ATOM 0 HE3 LYS A 81 7.921 7.391 5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 7.990 7.573 8.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 7.460 5.982 7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 9.071 6.276 8.224 1.00 0.00 H new ATOM 1257 N ALA A 82 8.023 2.732 2.783 1.00 0.00 N ATOM 1258 CA ALA A 82 6.591 2.751 2.542 1.00 0.00 C ATOM 1259 C ALA A 82 6.092 1.317 2.352 1.00 0.00 C ATOM 1260 O ALA A 82 6.638 0.568 1.541 1.00 0.00 O ATOM 1261 CB ALA A 82 6.287 3.639 1.334 1.00 0.00 C ATOM 0 H ALA A 82 8.596 2.660 1.942 1.00 0.00 H new ATOM 0 HA ALA A 82 6.064 3.174 3.397 1.00 0.00 H new ATOM 0 HB1 ALA A 82 5.212 3.653 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 82 6.635 4.653 1.531 1.00 0.00 H new ATOM 0 HB3 ALA A 82 6.797 3.245 0.455 1.00 0.00 H new ATOM 1267 N ALA A 83 5.061 0.976 3.111 1.00 0.00 N ATOM 1268 CA ALA A 83 4.483 -0.355 3.035 1.00 0.00 C ATOM 1269 C ALA A 83 3.366 -0.362 1.989 1.00 0.00 C ATOM 1270 O ALA A 83 2.404 0.394 2.098 1.00 0.00 O ATOM 1271 CB ALA A 83 3.987 -0.776 4.420 1.00 0.00 C ATOM 0 H ALA A 83 4.611 1.599 3.782 1.00 0.00 H new ATOM 0 HA ALA A 83 5.233 -1.082 2.722 1.00 0.00 H new ATOM 0 HB1 ALA A 83 3.553 -1.774 4.363 1.00 0.00 H new ATOM 0 HB2 ALA A 83 4.823 -0.783 5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 83 3.231 -0.071 4.765 1.00 0.00 H new ATOM 1277 N PHE A 84 3.533 -1.227 0.998 1.00 0.00 N ATOM 1278 CA PHE A 84 2.551 -1.343 -0.067 1.00 0.00 C ATOM 1279 C PHE A 84 1.596 -2.511 0.193 1.00 0.00 C ATOM 1280 O PHE A 84 1.982 -3.511 0.796 1.00 0.00 O ATOM 1281 CB PHE A 84 3.323 -1.610 -1.360 1.00 0.00 C ATOM 1282 CG PHE A 84 4.844 -1.571 -1.195 1.00 0.00 C ATOM 1283 CD1 PHE A 84 5.469 -0.395 -0.917 1.00 0.00 C ATOM 1284 CD2 PHE A 84 5.572 -2.711 -1.329 1.00 0.00 C ATOM 1285 CE1 PHE A 84 6.880 -0.359 -0.764 1.00 0.00 C ATOM 1286 CE2 PHE A 84 6.983 -2.677 -1.177 1.00 0.00 C ATOM 1287 CZ PHE A 84 7.607 -1.500 -0.897 1.00 0.00 C ATOM 0 H PHE A 84 4.333 -1.853 0.911 1.00 0.00 H new ATOM 0 HA PHE A 84 1.958 -0.430 -0.128 1.00 0.00 H new ATOM 0 HB2 PHE A 84 3.035 -2.587 -1.748 1.00 0.00 H new ATOM 0 HB3 PHE A 84 3.029 -0.871 -2.106 1.00 0.00 H new ATOM 0 HD1 PHE A 84 4.891 0.512 -0.813 1.00 0.00 H new ATOM 0 HD2 PHE A 84 5.076 -3.644 -1.551 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.376 0.575 -0.542 1.00 0.00 H new ATOM 0 HE2 PHE A 84 7.560 -3.583 -1.283 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.680 -1.473 -0.780 1.00 0.00 H new ATOM 1297 N ILE A 85 0.369 -2.343 -0.275 1.00 0.00 N ATOM 1298 CA ILE A 85 -0.645 -3.370 -0.101 1.00 0.00 C ATOM 1299 C ILE A 85 -1.105 -3.865 -1.475 1.00 0.00 C ATOM 1300 O ILE A 85 -1.323 -3.066 -2.384 1.00 0.00 O ATOM 1301 CB ILE A 85 -1.785 -2.855 0.781 1.00 0.00 C ATOM 1302 CG1 ILE A 85 -1.637 -3.359 2.218 1.00 0.00 C ATOM 1303 CG2 ILE A 85 -3.146 -3.217 0.183 1.00 0.00 C ATOM 1304 CD1 ILE A 85 -1.066 -2.267 3.125 1.00 0.00 C ATOM 0 H ILE A 85 0.053 -1.512 -0.775 1.00 0.00 H new ATOM 0 HA ILE A 85 -0.230 -4.229 0.425 1.00 0.00 H new ATOM 0 HB ILE A 85 -1.727 -1.767 0.815 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.607 -3.681 2.596 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -0.983 -4.231 2.236 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -3.939 -2.840 0.829 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -3.240 -2.769 -0.806 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -3.230 -4.301 0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -0.971 -2.651 4.141 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -0.085 -1.965 2.758 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -1.735 -1.406 3.124 1.00 0.00 H new ATOM 1316 N ILE A 86 -1.238 -5.179 -1.580 1.00 0.00 N ATOM 1317 CA ILE A 86 -1.667 -5.789 -2.827 1.00 0.00 C ATOM 1318 C ILE A 86 -2.759 -6.820 -2.535 1.00 0.00 C ATOM 1319 O ILE A 86 -2.490 -7.863 -1.941 1.00 0.00 O ATOM 1320 CB ILE A 86 -0.467 -6.362 -3.585 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -0.924 -7.282 -4.719 1.00 0.00 C ATOM 1322 CG2 ILE A 86 0.499 -7.065 -2.630 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -1.834 -6.536 -5.697 1.00 0.00 C ATOM 0 H ILE A 86 -1.056 -5.838 -0.823 1.00 0.00 H new ATOM 0 HA ILE A 86 -2.103 -5.040 -3.488 1.00 0.00 H new ATOM 0 HB ILE A 86 0.077 -5.535 -4.041 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -0.055 -7.671 -5.250 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -1.454 -8.140 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 86 1.343 -7.463 -3.194 1.00 0.00 H new ATOM 0 HG22 ILE A 86 0.861 -6.352 -1.889 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -0.018 -7.881 -2.125 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -2.145 -7.212 -6.493 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -2.714 -6.170 -5.168 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -1.293 -5.694 -6.127 1.00 0.00 H new ATOM 1335 N LEU A 87 -3.968 -6.492 -2.967 1.00 0.00 N ATOM 1336 CA LEU A 87 -5.102 -7.378 -2.759 1.00 0.00 C ATOM 1337 C LEU A 87 -5.298 -8.249 -4.002 1.00 0.00 C ATOM 1338 O LEU A 87 -5.334 -7.741 -5.121 1.00 0.00 O ATOM 1339 CB LEU A 87 -6.345 -6.574 -2.370 1.00 0.00 C ATOM 1340 CG LEU A 87 -7.458 -6.511 -3.418 1.00 0.00 C ATOM 1341 CD1 LEU A 87 -6.960 -5.856 -4.708 1.00 0.00 C ATOM 1342 CD2 LEU A 87 -8.052 -7.897 -3.671 1.00 0.00 C ATOM 0 H LEU A 87 -4.187 -5.626 -3.460 1.00 0.00 H new ATOM 0 HA LEU A 87 -4.911 -8.052 -1.924 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -6.758 -7.000 -1.456 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -6.036 -5.555 -2.135 1.00 0.00 H new ATOM 0 HG LEU A 87 -8.260 -5.884 -3.028 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -7.771 -5.824 -5.436 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -6.623 -4.841 -4.495 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -6.131 -6.436 -5.114 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -8.841 -7.824 -4.420 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -7.271 -8.567 -4.031 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.468 -8.289 -2.743 1.00 0.00 H new ATOM 1354 N THR A 88 -5.419 -9.546 -3.762 1.00 0.00 N ATOM 1355 CA THR A 88 -5.609 -10.493 -4.848 1.00 0.00 C ATOM 1356 C THR A 88 -6.391 -11.715 -4.359 1.00 0.00 C ATOM 1357 O THR A 88 -6.486 -11.955 -3.156 1.00 0.00 O ATOM 1358 CB THR A 88 -4.233 -10.841 -5.419 1.00 0.00 C ATOM 1359 OG1 THR A 88 -4.463 -12.023 -6.181 1.00 0.00 O ATOM 1360 CG2 THR A 88 -3.245 -11.281 -4.338 1.00 0.00 C ATOM 0 H THR A 88 -5.389 -9.964 -2.832 1.00 0.00 H new ATOM 0 HA THR A 88 -6.209 -10.061 -5.649 1.00 0.00 H new ATOM 0 HB THR A 88 -3.830 -9.977 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 88 -3.604 -12.413 -6.448 1.00 0.00 H new ATOM 0 HG21 THR A 88 -2.285 -11.516 -4.797 1.00 0.00 H new ATOM 0 HG22 THR A 88 -3.114 -10.476 -3.615 1.00 0.00 H new ATOM 0 HG23 THR A 88 -3.631 -12.165 -3.831 1.00 0.00 H new ATOM 1368 N ALA A 89 -6.932 -12.453 -5.316 1.00 0.00 N ATOM 1369 CA ALA A 89 -7.702 -13.644 -4.999 1.00 0.00 C ATOM 1370 C ALA A 89 -6.747 -14.790 -4.662 1.00 0.00 C ATOM 1371 O ALA A 89 -6.989 -15.936 -5.039 1.00 0.00 O ATOM 1372 CB ALA A 89 -8.627 -13.980 -6.169 1.00 0.00 C ATOM 0 H ALA A 89 -6.853 -12.249 -6.312 1.00 0.00 H new ATOM 0 HA ALA A 89 -8.331 -13.473 -4.125 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -9.205 -14.873 -5.931 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -9.306 -13.146 -6.347 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -8.031 -14.161 -7.064 1.00 0.00 H new ATOM 1378 N GLN A 90 -5.680 -14.441 -3.957 1.00 0.00 N ATOM 1379 CA GLN A 90 -4.686 -15.426 -3.565 1.00 0.00 C ATOM 1380 C GLN A 90 -4.479 -15.397 -2.050 1.00 0.00 C ATOM 1381 O GLN A 90 -4.692 -16.400 -1.371 1.00 0.00 O ATOM 1382 CB GLN A 90 -3.367 -15.198 -4.305 1.00 0.00 C ATOM 1383 CG GLN A 90 -3.457 -15.690 -5.751 1.00 0.00 C ATOM 1384 CD GLN A 90 -3.589 -14.514 -6.722 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -2.669 -13.742 -6.933 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -4.783 -14.423 -7.300 1.00 0.00 N ATOM 0 H GLN A 90 -5.482 -13.489 -3.647 1.00 0.00 H new ATOM 0 HA GLN A 90 -5.053 -16.414 -3.842 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -3.118 -14.137 -4.293 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -2.561 -15.720 -3.789 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -2.569 -16.272 -5.997 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -4.314 -16.355 -5.860 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -5.510 -15.103 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -4.972 -13.673 -7.965 1.00 0.00 H new ATOM 1395 N GLY A 91 -4.064 -14.236 -1.564 1.00 0.00 N ATOM 1396 CA GLY A 91 -3.825 -14.063 -0.142 1.00 0.00 C ATOM 1397 C GLY A 91 -3.013 -15.230 0.424 1.00 0.00 C ATOM 1398 O GLY A 91 -3.545 -16.066 1.153 1.00 0.00 O ATOM 0 H GLY A 91 -3.887 -13.406 -2.130 1.00 0.00 H new ATOM 0 HA2 GLY A 91 -3.292 -13.128 0.030 1.00 0.00 H new ATOM 0 HA3 GLY A 91 -4.777 -13.989 0.384 1.00 0.00 H new ATOM 1402 N ASP A 92 -1.737 -15.250 0.066 1.00 0.00 N ATOM 1403 CA ASP A 92 -0.847 -16.300 0.528 1.00 0.00 C ATOM 1404 C ASP A 92 0.395 -15.669 1.161 1.00 0.00 C ATOM 1405 O ASP A 92 1.107 -14.904 0.511 1.00 0.00 O ATOM 1406 CB ASP A 92 -0.389 -17.185 -0.633 1.00 0.00 C ATOM 1407 CG ASP A 92 -0.835 -18.646 -0.548 1.00 0.00 C ATOM 1408 OD1 ASP A 92 -1.505 -18.977 0.453 1.00 0.00 O ATOM 1409 OD2 ASP A 92 -0.495 -19.398 -1.487 1.00 0.00 O ATOM 0 H ASP A 92 -1.299 -14.555 -0.539 1.00 0.00 H new ATOM 0 HA ASP A 92 -1.390 -16.908 1.252 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -0.764 -16.760 -1.564 1.00 0.00 H new ATOM 0 HB3 ASP A 92 0.699 -17.156 -0.685 1.00 0.00 H new ATOM 1414 N ARG A 93 0.617 -16.011 2.422 1.00 0.00 N ATOM 1415 CA ARG A 93 1.762 -15.487 3.149 1.00 0.00 C ATOM 1416 C ARG A 93 3.055 -15.778 2.384 1.00 0.00 C ATOM 1417 O ARG A 93 4.037 -15.049 2.520 1.00 0.00 O ATOM 1418 CB ARG A 93 1.854 -16.103 4.547 1.00 0.00 C ATOM 1419 CG ARG A 93 1.779 -17.629 4.480 1.00 0.00 C ATOM 1420 CD ARG A 93 0.475 -18.141 5.094 1.00 0.00 C ATOM 1421 NE ARG A 93 0.621 -18.267 6.561 1.00 0.00 N ATOM 1422 CZ ARG A 93 1.337 -19.224 7.166 1.00 0.00 C ATOM 1423 NH1 ARG A 93 1.977 -20.145 6.434 1.00 0.00 N ATOM 1424 NH2 ARG A 93 1.414 -19.260 8.504 1.00 0.00 N ATOM 0 H ARG A 93 0.024 -16.644 2.959 1.00 0.00 H new ATOM 0 HA ARG A 93 1.629 -14.410 3.247 1.00 0.00 H new ATOM 0 HB2 ARG A 93 2.789 -15.802 5.020 1.00 0.00 H new ATOM 0 HB3 ARG A 93 1.044 -15.723 5.170 1.00 0.00 H new ATOM 0 HG2 ARG A 93 1.849 -17.955 3.442 1.00 0.00 H new ATOM 0 HG3 ARG A 93 2.628 -18.062 5.008 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.340 -17.457 4.859 1.00 0.00 H new ATOM 0 HD3 ARG A 93 0.215 -19.107 4.662 1.00 0.00 H new ATOM 0 HE ARG A 93 0.146 -17.582 7.149 1.00 0.00 H new ATOM 0 HH11 ARG A 93 1.919 -20.118 5.416 1.00 0.00 H new ATOM 0 HH12 ARG A 93 2.522 -20.874 6.895 1.00 0.00 H new ATOM 0 HH21 ARG A 93 0.927 -18.558 9.062 1.00 0.00 H new ATOM 0 HH22 ARG A 93 1.959 -19.989 8.964 1.00 0.00 H new ATOM 1438 N ALA A 94 3.013 -16.843 1.598 1.00 0.00 N ATOM 1439 CA ALA A 94 4.170 -17.239 0.812 1.00 0.00 C ATOM 1440 C ALA A 94 4.545 -16.104 -0.142 1.00 0.00 C ATOM 1441 O ALA A 94 5.712 -15.723 -0.231 1.00 0.00 O ATOM 1442 CB ALA A 94 3.864 -18.544 0.074 1.00 0.00 C ATOM 0 H ALA A 94 2.196 -17.444 1.488 1.00 0.00 H new ATOM 0 HA ALA A 94 5.028 -17.424 1.458 1.00 0.00 H new ATOM 0 HB1 ALA A 94 4.732 -18.841 -0.515 1.00 0.00 H new ATOM 0 HB2 ALA A 94 3.632 -19.326 0.798 1.00 0.00 H new ATOM 0 HB3 ALA A 94 3.010 -18.397 -0.587 1.00 0.00 H new ATOM 1448 N LEU A 95 3.535 -15.593 -0.830 1.00 0.00 N ATOM 1449 CA LEU A 95 3.744 -14.509 -1.774 1.00 0.00 C ATOM 1450 C LEU A 95 4.176 -13.252 -1.014 1.00 0.00 C ATOM 1451 O LEU A 95 4.996 -12.478 -1.503 1.00 0.00 O ATOM 1452 CB LEU A 95 2.502 -14.306 -2.642 1.00 0.00 C ATOM 1453 CG LEU A 95 2.293 -15.325 -3.764 1.00 0.00 C ATOM 1454 CD1 LEU A 95 0.995 -16.108 -3.559 1.00 0.00 C ATOM 1455 CD2 LEU A 95 2.343 -14.648 -5.135 1.00 0.00 C ATOM 0 H LEU A 95 2.569 -15.910 -0.752 1.00 0.00 H new ATOM 0 HA LEU A 95 4.550 -14.757 -2.465 1.00 0.00 H new ATOM 0 HB2 LEU A 95 1.625 -14.322 -1.995 1.00 0.00 H new ATOM 0 HB3 LEU A 95 2.552 -13.312 -3.086 1.00 0.00 H new ATOM 0 HG LEU A 95 3.112 -16.044 -3.729 1.00 0.00 H new ATOM 0 HD11 LEU A 95 0.871 -16.825 -4.370 1.00 0.00 H new ATOM 0 HD12 LEU A 95 1.037 -16.639 -2.608 1.00 0.00 H new ATOM 0 HD13 LEU A 95 0.151 -15.418 -3.552 1.00 0.00 H new ATOM 0 HD21 LEU A 95 2.192 -15.394 -5.915 1.00 0.00 H new ATOM 0 HD22 LEU A 95 1.558 -13.894 -5.197 1.00 0.00 H new ATOM 0 HD23 LEU A 95 3.315 -14.173 -5.271 1.00 0.00 H new ATOM 1467 N VAL A 96 3.603 -13.090 0.170 1.00 0.00 N ATOM 1468 CA VAL A 96 3.917 -11.943 1.002 1.00 0.00 C ATOM 1469 C VAL A 96 5.405 -11.966 1.356 1.00 0.00 C ATOM 1470 O VAL A 96 6.090 -10.950 1.243 1.00 0.00 O ATOM 1471 CB VAL A 96 3.010 -11.924 2.235 1.00 0.00 C ATOM 1472 CG1 VAL A 96 3.294 -10.700 3.108 1.00 0.00 C ATOM 1473 CG2 VAL A 96 1.536 -11.981 1.831 1.00 0.00 C ATOM 0 H VAL A 96 2.923 -13.735 0.572 1.00 0.00 H new ATOM 0 HA VAL A 96 3.726 -11.017 0.460 1.00 0.00 H new ATOM 0 HB VAL A 96 3.230 -12.813 2.826 1.00 0.00 H new ATOM 0 HG11 VAL A 96 2.636 -10.712 3.977 1.00 0.00 H new ATOM 0 HG12 VAL A 96 4.332 -10.722 3.439 1.00 0.00 H new ATOM 0 HG13 VAL A 96 3.117 -9.792 2.531 1.00 0.00 H new ATOM 0 HG21 VAL A 96 0.913 -11.966 2.725 1.00 0.00 H new ATOM 0 HG22 VAL A 96 1.296 -11.120 1.207 1.00 0.00 H new ATOM 0 HG23 VAL A 96 1.347 -12.898 1.272 1.00 0.00 H new ATOM 1483 N GLN A 97 5.863 -13.136 1.776 1.00 0.00 N ATOM 1484 CA GLN A 97 7.257 -13.306 2.147 1.00 0.00 C ATOM 1485 C GLN A 97 8.144 -13.287 0.901 1.00 0.00 C ATOM 1486 O GLN A 97 9.295 -12.857 0.959 1.00 0.00 O ATOM 1487 CB GLN A 97 7.460 -14.596 2.944 1.00 0.00 C ATOM 1488 CG GLN A 97 7.625 -14.299 4.436 1.00 0.00 C ATOM 1489 CD GLN A 97 6.658 -15.138 5.273 1.00 0.00 C ATOM 1490 OE1 GLN A 97 7.037 -16.088 5.940 1.00 0.00 O ATOM 1491 NE2 GLN A 97 5.392 -14.737 5.201 1.00 0.00 N ATOM 0 H GLN A 97 5.292 -13.976 1.868 1.00 0.00 H new ATOM 0 HA GLN A 97 7.545 -12.473 2.788 1.00 0.00 H new ATOM 0 HB2 GLN A 97 6.608 -15.258 2.794 1.00 0.00 H new ATOM 0 HB3 GLN A 97 8.341 -15.121 2.575 1.00 0.00 H new ATOM 0 HG2 GLN A 97 8.651 -14.508 4.741 1.00 0.00 H new ATOM 0 HG3 GLN A 97 7.447 -13.240 4.621 1.00 0.00 H new ATOM 0 HE21 GLN A 97 5.144 -13.934 4.623 1.00 0.00 H new ATOM 0 HE22 GLN A 97 4.670 -15.233 5.723 1.00 0.00 H new ATOM 1500 N LYS A 98 7.574 -13.758 -0.200 1.00 0.00 N ATOM 1501 CA LYS A 98 8.298 -13.801 -1.459 1.00 0.00 C ATOM 1502 C LYS A 98 8.694 -12.380 -1.862 1.00 0.00 C ATOM 1503 O LYS A 98 9.870 -12.101 -2.091 1.00 0.00 O ATOM 1504 CB LYS A 98 7.481 -14.538 -2.522 1.00 0.00 C ATOM 1505 CG LYS A 98 8.382 -15.055 -3.646 1.00 0.00 C ATOM 1506 CD LYS A 98 8.384 -16.584 -3.687 1.00 0.00 C ATOM 1507 CE LYS A 98 7.633 -17.101 -4.916 1.00 0.00 C ATOM 1508 NZ LYS A 98 8.557 -17.256 -6.060 1.00 0.00 N ATOM 0 H LYS A 98 6.619 -14.113 -0.245 1.00 0.00 H new ATOM 0 HA LYS A 98 9.221 -14.370 -1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 98 6.950 -15.372 -2.064 1.00 0.00 H new ATOM 0 HB3 LYS A 98 6.727 -13.868 -2.935 1.00 0.00 H new ATOM 0 HG2 LYS A 98 8.038 -14.662 -4.603 1.00 0.00 H new ATOM 0 HG3 LYS A 98 9.399 -14.690 -3.499 1.00 0.00 H new ATOM 0 HD2 LYS A 98 9.411 -16.949 -3.704 1.00 0.00 H new ATOM 0 HD3 LYS A 98 7.921 -16.976 -2.782 1.00 0.00 H new ATOM 0 HE2 LYS A 98 7.164 -18.058 -4.687 1.00 0.00 H new ATOM 0 HE3 LYS A 98 6.833 -16.409 -5.178 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 8.031 -17.608 -6.886 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 8.985 -16.336 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 9.306 -17.934 -5.812 1.00 0.00 H new ATOM 1522 N ALA A 99 7.689 -11.519 -1.938 1.00 0.00 N ATOM 1523 CA ALA A 99 7.918 -10.134 -2.311 1.00 0.00 C ATOM 1524 C ALA A 99 8.569 -9.395 -1.139 1.00 0.00 C ATOM 1525 O ALA A 99 9.555 -8.683 -1.321 1.00 0.00 O ATOM 1526 CB ALA A 99 6.596 -9.495 -2.740 1.00 0.00 C ATOM 0 H ALA A 99 6.715 -11.754 -1.748 1.00 0.00 H new ATOM 0 HA ALA A 99 8.600 -10.073 -3.159 1.00 0.00 H new ATOM 0 HB1 ALA A 99 6.768 -8.456 -3.020 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.189 -10.038 -3.593 1.00 0.00 H new ATOM 0 HB3 ALA A 99 5.887 -9.535 -1.913 1.00 0.00 H new ATOM 1532 N ALA A 100 7.991 -9.591 0.037 1.00 0.00 N ATOM 1533 CA ALA A 100 8.502 -8.954 1.238 1.00 0.00 C ATOM 1534 C ALA A 100 9.988 -9.284 1.392 1.00 0.00 C ATOM 1535 O ALA A 100 10.740 -8.514 1.988 1.00 0.00 O ATOM 1536 CB ALA A 100 7.676 -9.402 2.445 1.00 0.00 C ATOM 0 H ALA A 100 7.173 -10.183 0.183 1.00 0.00 H new ATOM 0 HA ALA A 100 8.411 -7.870 1.166 1.00 0.00 H new ATOM 0 HB1 ALA A 100 8.060 -8.924 3.346 1.00 0.00 H new ATOM 0 HB2 ALA A 100 6.634 -9.117 2.299 1.00 0.00 H new ATOM 0 HB3 ALA A 100 7.745 -10.485 2.551 1.00 0.00 H new ATOM 1542 N ALA A 101 10.367 -10.431 0.846 1.00 0.00 N ATOM 1543 CA ALA A 101 11.749 -10.872 0.916 1.00 0.00 C ATOM 1544 C ALA A 101 12.461 -10.515 -0.391 1.00 0.00 C ATOM 1545 O ALA A 101 13.688 -10.449 -0.435 1.00 0.00 O ATOM 1546 CB ALA A 101 11.792 -12.373 1.212 1.00 0.00 C ATOM 0 H ALA A 101 9.741 -11.068 0.353 1.00 0.00 H new ATOM 0 HA ALA A 101 12.273 -10.365 1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 101 12.829 -12.704 1.264 1.00 0.00 H new ATOM 0 HB2 ALA A 101 11.299 -12.570 2.164 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.278 -12.915 0.418 1.00 0.00 H new ATOM 1552 N LEU A 102 11.659 -10.296 -1.423 1.00 0.00 N ATOM 1553 CA LEU A 102 12.198 -9.948 -2.727 1.00 0.00 C ATOM 1554 C LEU A 102 12.854 -8.568 -2.651 1.00 0.00 C ATOM 1555 O LEU A 102 13.718 -8.242 -3.464 1.00 0.00 O ATOM 1556 CB LEU A 102 11.112 -10.054 -3.801 1.00 0.00 C ATOM 1557 CG LEU A 102 11.571 -9.830 -5.243 1.00 0.00 C ATOM 1558 CD1 LEU A 102 11.745 -8.339 -5.537 1.00 0.00 C ATOM 1559 CD2 LEU A 102 12.842 -10.627 -5.544 1.00 0.00 C ATOM 0 H LEU A 102 10.641 -10.353 -1.383 1.00 0.00 H new ATOM 0 HA LEU A 102 12.974 -10.655 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.658 -11.043 -3.735 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.331 -9.329 -3.573 1.00 0.00 H new ATOM 0 HG LEU A 102 10.794 -10.201 -5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 102 12.072 -8.207 -6.568 1.00 0.00 H new ATOM 0 HD12 LEU A 102 10.795 -7.826 -5.389 1.00 0.00 H new ATOM 0 HD13 LEU A 102 12.493 -7.920 -4.863 1.00 0.00 H new ATOM 0 HD21 LEU A 102 13.147 -10.450 -6.575 1.00 0.00 H new ATOM 0 HD22 LEU A 102 13.638 -10.310 -4.871 1.00 0.00 H new ATOM 0 HD23 LEU A 102 12.648 -11.690 -5.401 1.00 0.00 H new ATOM 1571 N GLY A 103 12.421 -7.795 -1.666 1.00 0.00 N ATOM 1572 CA GLY A 103 12.956 -6.458 -1.474 1.00 0.00 C ATOM 1573 C GLY A 103 11.877 -5.504 -0.955 1.00 0.00 C ATOM 1574 O GLY A 103 12.189 -4.455 -0.396 1.00 0.00 O ATOM 0 H GLY A 103 11.706 -8.069 -0.992 1.00 0.00 H new ATOM 0 HA2 GLY A 103 13.786 -6.493 -0.768 1.00 0.00 H new ATOM 0 HA3 GLY A 103 13.355 -6.083 -2.417 1.00 0.00 H new ATOM 1578 N ALA A 104 10.631 -5.906 -1.159 1.00 0.00 N ATOM 1579 CA ALA A 104 9.504 -5.100 -0.720 1.00 0.00 C ATOM 1580 C ALA A 104 9.700 -4.716 0.749 1.00 0.00 C ATOM 1581 O ALA A 104 10.227 -5.501 1.535 1.00 0.00 O ATOM 1582 CB ALA A 104 8.203 -5.872 -0.951 1.00 0.00 C ATOM 0 H ALA A 104 10.377 -6.779 -1.622 1.00 0.00 H new ATOM 0 HA ALA A 104 9.443 -4.178 -1.298 1.00 0.00 H new ATOM 0 HB1 ALA A 104 7.358 -5.268 -0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 104 8.097 -6.097 -2.012 1.00 0.00 H new ATOM 0 HB3 ALA A 104 8.226 -6.802 -0.384 1.00 0.00 H new ATOM 1588 N ASN A 105 9.266 -3.507 1.073 1.00 0.00 N ATOM 1589 CA ASN A 105 9.388 -3.008 2.433 1.00 0.00 C ATOM 1590 C ASN A 105 8.335 -3.682 3.314 1.00 0.00 C ATOM 1591 O ASN A 105 8.628 -4.088 4.437 1.00 0.00 O ATOM 1592 CB ASN A 105 9.153 -1.497 2.487 1.00 0.00 C ATOM 1593 CG ASN A 105 9.399 -0.955 3.897 1.00 0.00 C ATOM 1594 OD1 ASN A 105 10.520 -0.875 4.372 1.00 0.00 O ATOM 1595 ND2 ASN A 105 8.292 -0.590 4.537 1.00 0.00 N ATOM 0 H ASN A 105 8.830 -2.858 0.418 1.00 0.00 H new ATOM 0 HA ASN A 105 10.395 -3.229 2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 105 9.815 -0.997 1.780 1.00 0.00 H new ATOM 0 HB3 ASN A 105 8.131 -1.273 2.180 1.00 0.00 H new ATOM 0 HD21 ASN A 105 8.350 -0.216 5.484 1.00 0.00 H new ATOM 0 HD22 ASN A 105 7.385 -0.684 4.081 1.00 0.00 H new ATOM 1602 N ASN A 106 7.129 -3.781 2.772 1.00 0.00 N ATOM 1603 CA ASN A 106 6.032 -4.400 3.495 1.00 0.00 C ATOM 1604 C ASN A 106 4.874 -4.661 2.530 1.00 0.00 C ATOM 1605 O ASN A 106 4.413 -3.748 1.845 1.00 0.00 O ATOM 1606 CB ASN A 106 5.521 -3.484 4.609 1.00 0.00 C ATOM 1607 CG ASN A 106 5.987 -3.975 5.980 1.00 0.00 C ATOM 1608 OD1 ASN A 106 7.097 -3.718 6.417 1.00 0.00 O ATOM 1609 ND2 ASN A 106 5.080 -4.696 6.634 1.00 0.00 N ATOM 0 H ASN A 106 6.888 -3.443 1.840 1.00 0.00 H new ATOM 0 HA ASN A 106 6.397 -5.330 3.931 1.00 0.00 H new ATOM 0 HB2 ASN A 106 5.879 -2.468 4.442 1.00 0.00 H new ATOM 0 HB3 ASN A 106 4.432 -3.447 4.583 1.00 0.00 H new ATOM 0 HD21 ASN A 106 5.296 -5.070 7.558 1.00 0.00 H new ATOM 0 HD22 ASN A 106 4.169 -4.875 6.211 1.00 0.00 H new