USER MOD reduce.3.24.130724 H: found=0, std=0, add=740, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 739 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 12 HIS : no HE2:sc= -5.91! X(o=-25!,f=-24) USER MOD Set 1.2: A 72 SER OG : rot -120:sc= -1.63! USER MOD Set 1.3: A 114 HIS : no HE2:sc= -17.1! C(o=-25!,f=-33!) USER MOD Set 2.1: A 7 GLN : amide:sc= -0.0794 X(o=0.43,f=0.24!) USER MOD Set 2.2: A 81 SER OG : rot -14:sc= 0.506! USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 111:sc= 0.197 USER MOD Single : A 16 LYS NZ :NH3+ -122:sc= 0 (180deg=-0.139) USER MOD Single : A 17 HIS : no HE2:sc= -9.37! C(o=-9.4!,f=-15!) USER MOD Single : A 18 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.7) USER MOD Single : A 37 THR OG1 : rot 160:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 GLN : amide:sc= -0.84 X(o=-0.84,f=-0.65) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 ASN : amide:sc= 0.661 K(o=0.66,f=-0.036) USER MOD Single : A 65 THR OG1 : rot -140:sc= -1.87! USER MOD Single : A 68 SER OG : rot 57:sc= -1.25! USER MOD Single : A 70 CYS SG : rot 180:sc= -0.623 USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ -125:sc= -0.0452 (180deg=-0.409) USER MOD Single : A 86 GLN : amide:sc= -5.64! C(o=-5.6!,f=-5.6!) USER MOD Single : A 87 MET CE :methyl 176:sc= -12.2! (180deg=-12.5!) USER MOD Single : A 88 GLN : amide:sc= -0.234 X(o=-0.23,f=-0.016) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 111:sc= -1.11! USER MOD Single : A 96 TYR OH : rot 180:sc=-0.00263 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 SER OG : rot 110:sc= -1.69 USER MOD Single : A 109 THR OG1 : rot 70:sc= -5.88! USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 THR OG1 : rot -176:sc= -7.38! USER MOD ----------------------------------------------------------------- ATOM 92 N GLN A 7 18.402 4.981 3.048 1.00 0.00 N ATOM 93 CA GLN A 7 17.148 5.454 2.393 1.00 0.00 C ATOM 94 C GLN A 7 16.343 4.248 1.902 1.00 0.00 C ATOM 95 O GLN A 7 16.811 3.128 1.940 1.00 0.00 O ATOM 96 CB GLN A 7 17.602 6.314 1.214 1.00 0.00 C ATOM 97 CG GLN A 7 16.393 7.041 0.623 1.00 0.00 C ATOM 98 CD GLN A 7 16.865 8.050 -0.425 1.00 0.00 C ATOM 99 OE1 GLN A 7 17.984 7.979 -0.894 1.00 0.00 O ATOM 100 NE2 GLN A 7 16.053 8.993 -0.816 1.00 0.00 N ATOM 0 HA GLN A 7 16.511 6.019 3.073 1.00 0.00 H new ATOM 0 HB2 GLN A 7 18.350 7.036 1.542 1.00 0.00 H new ATOM 0 HB3 GLN A 7 18.073 5.690 0.454 1.00 0.00 H new ATOM 0 HG2 GLN A 7 15.710 6.323 0.170 1.00 0.00 H new ATOM 0 HG3 GLN A 7 15.841 7.552 1.412 1.00 0.00 H new ATOM 0 HE21 GLN A 7 15.114 9.053 -0.423 1.00 0.00 H new ATOM 0 HE22 GLN A 7 16.357 9.671 -1.515 1.00 0.00 H new ATOM 109 N VAL A 8 15.133 4.454 1.454 1.00 0.00 N ATOM 110 CA VAL A 8 14.325 3.291 0.986 1.00 0.00 C ATOM 111 C VAL A 8 13.362 3.685 -0.145 1.00 0.00 C ATOM 112 O VAL A 8 12.380 4.368 0.072 1.00 0.00 O ATOM 113 CB VAL A 8 13.547 2.848 2.227 1.00 0.00 C ATOM 114 CG1 VAL A 8 12.927 4.070 2.907 1.00 0.00 C ATOM 115 CG2 VAL A 8 12.439 1.880 1.817 1.00 0.00 C ATOM 0 H VAL A 8 14.675 5.363 1.392 1.00 0.00 H new ATOM 0 HA VAL A 8 14.953 2.501 0.574 1.00 0.00 H new ATOM 0 HB VAL A 8 14.226 2.352 2.920 1.00 0.00 H new ATOM 0 HG11 VAL A 8 12.373 3.753 3.791 1.00 0.00 H new ATOM 0 HG12 VAL A 8 13.716 4.762 3.202 1.00 0.00 H new ATOM 0 HG13 VAL A 8 12.249 4.568 2.213 1.00 0.00 H new ATOM 0 HG21 VAL A 8 11.885 1.565 2.702 1.00 0.00 H new ATOM 0 HG22 VAL A 8 11.761 2.376 1.122 1.00 0.00 H new ATOM 0 HG23 VAL A 8 12.879 1.007 1.334 1.00 0.00 H new ATOM 125 N LYS A 9 13.625 3.233 -1.347 1.00 0.00 N ATOM 126 CA LYS A 9 12.714 3.551 -2.491 1.00 0.00 C ATOM 127 C LYS A 9 11.585 2.518 -2.539 1.00 0.00 C ATOM 128 O LYS A 9 11.700 1.451 -1.969 1.00 0.00 O ATOM 129 CB LYS A 9 13.576 3.434 -3.748 1.00 0.00 C ATOM 130 CG LYS A 9 14.548 4.611 -3.835 1.00 0.00 C ATOM 131 CD LYS A 9 14.700 5.031 -5.300 1.00 0.00 C ATOM 132 CE LYS A 9 15.500 6.332 -5.383 1.00 0.00 C ATOM 133 NZ LYS A 9 16.793 5.948 -6.016 1.00 0.00 N ATOM 0 H LYS A 9 14.432 2.657 -1.586 1.00 0.00 H new ATOM 0 HA LYS A 9 12.267 4.541 -2.399 1.00 0.00 H new ATOM 0 HB2 LYS A 9 14.131 2.496 -3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 12.940 3.412 -4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 9 14.179 5.447 -3.241 1.00 0.00 H new ATOM 0 HG3 LYS A 9 15.517 4.329 -3.423 1.00 0.00 H new ATOM 0 HD2 LYS A 9 15.205 4.246 -5.863 1.00 0.00 H new ATOM 0 HD3 LYS A 9 13.718 5.167 -5.753 1.00 0.00 H new ATOM 0 HE2 LYS A 9 14.976 7.081 -5.977 1.00 0.00 H new ATOM 0 HE3 LYS A 9 15.657 6.763 -4.394 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 17.398 6.789 -6.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 17.272 5.239 -5.424 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 16.613 5.547 -6.959 1.00 0.00 H new ATOM 147 N ALA A 10 10.497 2.802 -3.215 1.00 0.00 N ATOM 148 CA ALA A 10 9.394 1.787 -3.268 1.00 0.00 C ATOM 149 C ALA A 10 8.099 2.352 -3.855 1.00 0.00 C ATOM 150 O ALA A 10 7.885 3.547 -3.910 1.00 0.00 O ATOM 151 CB ALA A 10 9.142 1.399 -1.810 1.00 0.00 C ATOM 0 H ALA A 10 10.325 3.671 -3.721 1.00 0.00 H new ATOM 0 HA ALA A 10 9.685 0.952 -3.905 1.00 0.00 H new ATOM 0 HB1 ALA A 10 8.345 0.657 -1.764 1.00 0.00 H new ATOM 0 HB2 ALA A 10 10.053 0.981 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA A 10 8.848 2.283 -1.244 1.00 0.00 H new ATOM 157 N SER A 11 7.213 1.472 -4.246 1.00 0.00 N ATOM 158 CA SER A 11 5.891 1.904 -4.779 1.00 0.00 C ATOM 159 C SER A 11 4.833 1.498 -3.756 1.00 0.00 C ATOM 160 O SER A 11 5.176 1.021 -2.693 1.00 0.00 O ATOM 161 CB SER A 11 5.707 1.150 -6.096 1.00 0.00 C ATOM 162 OG SER A 11 5.264 -0.173 -5.820 1.00 0.00 O ATOM 0 H SER A 11 7.353 0.462 -4.217 1.00 0.00 H new ATOM 0 HA SER A 11 5.815 2.978 -4.949 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.981 1.665 -6.725 1.00 0.00 H new ATOM 0 HB3 SER A 11 6.646 1.124 -6.648 1.00 0.00 H new ATOM 0 HG SER A 11 4.334 -0.274 -6.112 1.00 0.00 H new ATOM 168 N HIS A 12 3.561 1.671 -4.012 1.00 0.00 N ATOM 169 CA HIS A 12 2.601 1.260 -2.941 1.00 0.00 C ATOM 170 C HIS A 12 1.123 1.411 -3.348 1.00 0.00 C ATOM 171 O HIS A 12 0.760 2.221 -4.177 1.00 0.00 O ATOM 172 CB HIS A 12 2.975 2.190 -1.768 1.00 0.00 C ATOM 173 CG HIS A 12 1.752 2.764 -1.105 1.00 0.00 C ATOM 174 ND1 HIS A 12 1.549 4.130 -0.977 1.00 0.00 N ATOM 175 CD2 HIS A 12 0.666 2.168 -0.526 1.00 0.00 C ATOM 176 CE1 HIS A 12 0.377 4.306 -0.340 1.00 0.00 C ATOM 177 NE2 HIS A 12 -0.203 3.141 -0.041 1.00 0.00 N ATOM 0 H HIS A 12 3.160 2.057 -4.867 1.00 0.00 H new ATOM 0 HA HIS A 12 2.683 0.200 -2.702 1.00 0.00 H new ATOM 0 HB2 HIS A 12 3.560 1.635 -1.035 1.00 0.00 H new ATOM 0 HB3 HIS A 12 3.606 3.000 -2.132 1.00 0.00 H new ATOM 0 HD1 HIS A 12 2.174 4.866 -1.306 1.00 0.00 H new ATOM 0 HD2 HIS A 12 0.507 1.102 -0.456 1.00 0.00 H new ATOM 0 HE1 HIS A 12 -0.043 5.271 -0.100 1.00 0.00 H new ATOM 185 N ILE A 13 0.275 0.627 -2.720 1.00 0.00 N ATOM 186 CA ILE A 13 -1.195 0.685 -2.988 1.00 0.00 C ATOM 187 C ILE A 13 -1.957 0.545 -1.653 1.00 0.00 C ATOM 188 O ILE A 13 -1.374 0.269 -0.624 1.00 0.00 O ATOM 189 CB ILE A 13 -1.495 -0.511 -3.911 1.00 0.00 C ATOM 190 CG1 ILE A 13 -1.222 -0.120 -5.371 1.00 0.00 C ATOM 191 CG2 ILE A 13 -2.965 -0.906 -3.762 1.00 0.00 C ATOM 192 CD1 ILE A 13 -2.021 -1.024 -6.332 1.00 0.00 C ATOM 0 H ILE A 13 0.549 -0.063 -2.020 1.00 0.00 H new ATOM 0 HA ILE A 13 -1.500 1.624 -3.449 1.00 0.00 H new ATOM 0 HB ILE A 13 -0.856 -1.350 -3.635 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -1.496 0.923 -5.531 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -0.156 -0.206 -5.583 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -3.182 -1.752 -4.414 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -3.164 -1.184 -2.727 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -3.598 -0.063 -4.039 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -1.815 -0.732 -7.362 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -1.727 -2.063 -6.183 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.087 -0.917 -6.131 1.00 0.00 H new ATOM 204 N LEU A 14 -3.253 0.715 -1.664 1.00 0.00 N ATOM 205 CA LEU A 14 -4.042 0.575 -0.399 1.00 0.00 C ATOM 206 C LEU A 14 -5.431 0.004 -0.706 1.00 0.00 C ATOM 207 O LEU A 14 -6.304 0.699 -1.184 1.00 0.00 O ATOM 208 CB LEU A 14 -4.162 1.995 0.167 1.00 0.00 C ATOM 209 CG LEU A 14 -5.173 2.009 1.322 1.00 0.00 C ATOM 210 CD1 LEU A 14 -4.429 2.125 2.656 1.00 0.00 C ATOM 211 CD2 LEU A 14 -6.124 3.202 1.158 1.00 0.00 C ATOM 0 H LEU A 14 -3.801 0.945 -2.493 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.563 -0.102 0.308 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.190 2.340 0.518 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -4.481 2.683 -0.616 1.00 0.00 H new ATOM 0 HG LEU A 14 -5.748 1.083 1.309 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -5.149 2.135 3.474 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -3.758 1.274 2.773 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.850 3.049 2.671 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.841 3.211 1.979 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.550 4.129 1.168 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -6.657 3.115 0.211 1.00 0.00 H new ATOM 223 N ILE A 15 -5.646 -1.255 -0.432 1.00 0.00 N ATOM 224 CA ILE A 15 -6.983 -1.855 -0.710 1.00 0.00 C ATOM 225 C ILE A 15 -8.038 -1.233 0.219 1.00 0.00 C ATOM 226 O ILE A 15 -7.719 -0.461 1.101 1.00 0.00 O ATOM 227 CB ILE A 15 -6.797 -3.367 -0.465 1.00 0.00 C ATOM 228 CG1 ILE A 15 -7.438 -4.142 -1.617 1.00 0.00 C ATOM 229 CG2 ILE A 15 -7.443 -3.804 0.857 1.00 0.00 C ATOM 230 CD1 ILE A 15 -7.416 -5.638 -1.301 1.00 0.00 C ATOM 0 H ILE A 15 -4.958 -1.891 -0.030 1.00 0.00 H new ATOM 0 HA ILE A 15 -7.336 -1.670 -1.724 1.00 0.00 H new ATOM 0 HB ILE A 15 -5.729 -3.577 -0.408 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -8.464 -3.807 -1.768 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -6.899 -3.948 -2.544 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -7.294 -4.874 0.999 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -6.984 -3.261 1.683 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -8.511 -3.587 0.829 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -7.873 -6.190 -2.122 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -6.385 -5.967 -1.172 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -7.974 -5.824 -0.384 1.00 0.00 H new ATOM 242 N LYS A 16 -9.290 -1.554 0.023 1.00 0.00 N ATOM 243 CA LYS A 16 -10.353 -0.967 0.894 1.00 0.00 C ATOM 244 C LYS A 16 -10.755 -1.957 1.992 1.00 0.00 C ATOM 245 O LYS A 16 -10.669 -3.157 1.823 1.00 0.00 O ATOM 246 CB LYS A 16 -11.530 -0.691 -0.045 1.00 0.00 C ATOM 247 CG LYS A 16 -12.226 -2.007 -0.403 1.00 0.00 C ATOM 248 CD LYS A 16 -12.468 -2.060 -1.912 1.00 0.00 C ATOM 249 CE LYS A 16 -13.955 -2.303 -2.184 1.00 0.00 C ATOM 250 NZ LYS A 16 -14.624 -1.015 -1.851 1.00 0.00 N ATOM 0 H LYS A 16 -9.622 -2.194 -0.699 1.00 0.00 H new ATOM 0 HA LYS A 16 -10.016 -0.062 1.399 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -12.237 -0.013 0.433 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -11.177 -0.197 -0.950 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -11.612 -2.852 -0.092 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -13.173 -2.087 0.131 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -12.151 -1.125 -2.375 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -11.871 -2.855 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -14.126 -2.579 -3.225 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -14.340 -3.118 -1.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -15.341 -1.176 -1.116 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -13.917 -0.337 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -15.081 -0.631 -2.702 1.00 0.00 H new ATOM 264 N HIS A 17 -11.194 -1.458 3.117 1.00 0.00 N ATOM 265 CA HIS A 17 -11.603 -2.364 4.231 1.00 0.00 C ATOM 266 C HIS A 17 -12.167 -1.547 5.399 1.00 0.00 C ATOM 267 O HIS A 17 -12.371 -0.354 5.292 1.00 0.00 O ATOM 268 CB HIS A 17 -10.321 -3.089 4.648 1.00 0.00 C ATOM 269 CG HIS A 17 -9.377 -2.119 5.306 1.00 0.00 C ATOM 270 ND1 HIS A 17 -9.559 -0.746 5.242 1.00 0.00 N ATOM 271 CD2 HIS A 17 -8.233 -2.311 6.041 1.00 0.00 C ATOM 272 CE1 HIS A 17 -8.549 -0.171 5.919 1.00 0.00 C ATOM 273 NE2 HIS A 17 -7.711 -1.079 6.427 1.00 0.00 N ATOM 0 H HIS A 17 -11.287 -0.461 3.313 1.00 0.00 H new ATOM 0 HA HIS A 17 -12.383 -3.063 3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -10.559 -3.901 5.335 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -9.846 -3.538 3.776 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -10.320 -0.260 4.768 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -7.803 -3.272 6.283 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -8.430 0.896 6.038 1.00 0.00 H new ATOM 281 N GLN A 18 -12.424 -2.180 6.513 1.00 0.00 N ATOM 282 CA GLN A 18 -12.977 -1.435 7.682 1.00 0.00 C ATOM 283 C GLN A 18 -11.843 -0.938 8.583 1.00 0.00 C ATOM 284 O GLN A 18 -11.764 -1.283 9.746 1.00 0.00 O ATOM 285 CB GLN A 18 -13.853 -2.448 8.423 1.00 0.00 C ATOM 286 CG GLN A 18 -12.969 -3.488 9.114 1.00 0.00 C ATOM 287 CD GLN A 18 -13.277 -3.504 10.613 1.00 0.00 C ATOM 288 OE1 GLN A 18 -12.378 -3.467 11.430 1.00 0.00 O ATOM 289 NE2 GLN A 18 -14.518 -3.561 11.012 1.00 0.00 N ATOM 0 H GLN A 18 -12.275 -3.178 6.664 1.00 0.00 H new ATOM 0 HA GLN A 18 -13.544 -0.555 7.378 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -14.473 -1.937 9.160 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -14.529 -2.939 7.723 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.146 -4.474 8.685 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -11.917 -3.253 8.950 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.273 -3.592 10.327 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.733 -3.574 12.009 1.00 0.00 H new ATOM 298 N GLY A 19 -10.964 -0.132 8.053 1.00 0.00 N ATOM 299 CA GLY A 19 -9.835 0.388 8.877 1.00 0.00 C ATOM 300 C GLY A 19 -10.229 1.730 9.494 1.00 0.00 C ATOM 301 O GLY A 19 -10.222 2.752 8.836 1.00 0.00 O ATOM 0 H GLY A 19 -10.978 0.189 7.085 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -9.585 -0.326 9.662 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -8.945 0.507 8.259 1.00 0.00 H new ATOM 594 N THR A 37 -15.225 -5.828 2.542 1.00 0.00 N ATOM 595 CA THR A 37 -14.000 -6.417 3.156 1.00 0.00 C ATOM 596 C THR A 37 -13.748 -5.789 4.532 1.00 0.00 C ATOM 597 O THR A 37 -14.070 -4.642 4.768 1.00 0.00 O ATOM 598 CB THR A 37 -12.868 -6.071 2.183 1.00 0.00 C ATOM 599 OG1 THR A 37 -12.898 -6.975 1.087 1.00 0.00 O ATOM 600 CG2 THR A 37 -11.519 -6.179 2.897 1.00 0.00 C ATOM 0 HA THR A 37 -14.085 -7.492 3.312 1.00 0.00 H new ATOM 0 HB THR A 37 -13.001 -5.051 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 37 -12.414 -6.586 0.329 1.00 0.00 H new ATOM 0 HG21 THR A 37 -10.718 -5.932 2.200 1.00 0.00 H new ATOM 0 HG22 THR A 37 -11.496 -5.485 3.738 1.00 0.00 H new ATOM 0 HG23 THR A 37 -11.381 -7.197 3.262 1.00 0.00 H new ATOM 608 N THR A 38 -13.175 -6.532 5.440 1.00 0.00 N ATOM 609 CA THR A 38 -12.903 -5.974 6.798 1.00 0.00 C ATOM 610 C THR A 38 -11.402 -6.025 7.104 1.00 0.00 C ATOM 611 O THR A 38 -10.592 -6.300 6.242 1.00 0.00 O ATOM 612 CB THR A 38 -13.682 -6.870 7.765 1.00 0.00 C ATOM 613 OG1 THR A 38 -13.192 -8.201 7.678 1.00 0.00 O ATOM 614 CG2 THR A 38 -15.169 -6.842 7.404 1.00 0.00 C ATOM 0 H THR A 38 -12.884 -7.500 5.302 1.00 0.00 H new ATOM 0 HA THR A 38 -13.206 -4.930 6.880 1.00 0.00 H new ATOM 0 HB THR A 38 -13.553 -6.504 8.784 1.00 0.00 H new ATOM 0 HG1 THR A 38 -13.689 -8.774 8.298 1.00 0.00 H new ATOM 0 HG21 THR A 38 -15.723 -7.480 8.093 1.00 0.00 H new ATOM 0 HG22 THR A 38 -15.542 -5.820 7.476 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.303 -7.206 6.385 1.00 0.00 H new ATOM 622 N ARG A 39 -11.025 -5.758 8.327 1.00 0.00 N ATOM 623 CA ARG A 39 -9.578 -5.786 8.689 1.00 0.00 C ATOM 624 C ARG A 39 -8.965 -7.136 8.320 1.00 0.00 C ATOM 625 O ARG A 39 -8.078 -7.224 7.495 1.00 0.00 O ATOM 626 CB ARG A 39 -9.544 -5.574 10.204 1.00 0.00 C ATOM 627 CG ARG A 39 -8.702 -4.339 10.529 1.00 0.00 C ATOM 628 CD ARG A 39 -7.756 -4.657 11.689 1.00 0.00 C ATOM 629 NE ARG A 39 -6.394 -4.356 11.168 1.00 0.00 N ATOM 630 CZ ARG A 39 -5.393 -4.222 11.994 1.00 0.00 C ATOM 631 NH1 ARG A 39 -5.050 -5.214 12.768 1.00 0.00 N ATOM 632 NH2 ARG A 39 -4.738 -3.095 12.048 1.00 0.00 N ATOM 0 H ARG A 39 -11.658 -5.522 9.091 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.005 -5.025 8.159 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -10.557 -5.447 10.587 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.125 -6.452 10.695 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -8.130 -4.035 9.652 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.350 -3.503 10.793 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -7.987 -4.050 12.564 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.841 -5.700 11.993 1.00 0.00 H new ATOM 0 HE ARG A 39 -6.243 -4.254 10.164 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.564 -6.094 12.727 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -4.268 -5.110 13.414 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -5.008 -2.319 11.444 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -3.955 -2.990 12.694 1.00 0.00 H new ATOM 646 N GLU A 40 -9.433 -8.189 8.922 1.00 0.00 N ATOM 647 CA GLU A 40 -8.884 -9.534 8.606 1.00 0.00 C ATOM 648 C GLU A 40 -9.128 -9.859 7.132 1.00 0.00 C ATOM 649 O GLU A 40 -8.212 -10.146 6.388 1.00 0.00 O ATOM 650 CB GLU A 40 -9.665 -10.488 9.505 1.00 0.00 C ATOM 651 CG GLU A 40 -9.004 -11.867 9.486 1.00 0.00 C ATOM 652 CD GLU A 40 -10.053 -12.932 9.163 1.00 0.00 C ATOM 653 OE1 GLU A 40 -10.449 -13.015 8.012 1.00 0.00 O ATOM 654 OE2 GLU A 40 -10.441 -13.648 10.071 1.00 0.00 O ATOM 0 H GLU A 40 -10.175 -8.177 9.622 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.809 -9.603 8.774 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.694 -10.102 10.524 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.697 -10.563 9.163 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.207 -11.890 8.743 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.545 -12.075 10.452 1.00 0.00 H new ATOM 661 N ALA A 41 -10.359 -9.806 6.704 1.00 0.00 N ATOM 662 CA ALA A 41 -10.664 -10.102 5.277 1.00 0.00 C ATOM 663 C ALA A 41 -9.741 -9.287 4.371 1.00 0.00 C ATOM 664 O ALA A 41 -9.197 -9.788 3.407 1.00 0.00 O ATOM 665 CB ALA A 41 -12.119 -9.678 5.087 1.00 0.00 C ATOM 0 H ALA A 41 -11.166 -9.571 7.281 1.00 0.00 H new ATOM 0 HA ALA A 41 -10.514 -11.152 5.026 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -12.421 -9.865 4.056 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -12.756 -10.251 5.761 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -12.220 -8.615 5.308 1.00 0.00 H new ATOM 671 N ALA A 42 -9.557 -8.035 4.681 1.00 0.00 N ATOM 672 CA ALA A 42 -8.662 -7.187 3.844 1.00 0.00 C ATOM 673 C ALA A 42 -7.374 -7.946 3.543 1.00 0.00 C ATOM 674 O ALA A 42 -7.003 -8.127 2.403 1.00 0.00 O ATOM 675 CB ALA A 42 -8.374 -5.946 4.692 1.00 0.00 C ATOM 0 H ALA A 42 -9.986 -7.562 5.476 1.00 0.00 H new ATOM 0 HA ALA A 42 -9.112 -6.921 2.888 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -7.719 -5.272 4.140 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.310 -5.436 4.920 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -7.888 -6.245 5.621 1.00 0.00 H new ATOM 681 N VAL A 43 -6.697 -8.406 4.556 1.00 0.00 N ATOM 682 CA VAL A 43 -5.441 -9.170 4.315 1.00 0.00 C ATOM 683 C VAL A 43 -5.724 -10.285 3.312 1.00 0.00 C ATOM 684 O VAL A 43 -4.956 -10.531 2.403 1.00 0.00 O ATOM 685 CB VAL A 43 -5.050 -9.747 5.676 1.00 0.00 C ATOM 686 CG1 VAL A 43 -3.775 -10.581 5.533 1.00 0.00 C ATOM 687 CG2 VAL A 43 -4.801 -8.601 6.658 1.00 0.00 C ATOM 0 H VAL A 43 -6.956 -8.288 5.535 1.00 0.00 H new ATOM 0 HA VAL A 43 -4.640 -8.554 3.906 1.00 0.00 H new ATOM 0 HB VAL A 43 -5.856 -10.380 6.048 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.498 -10.991 6.504 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.950 -11.396 4.831 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.967 -9.950 5.162 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -4.522 -9.009 7.630 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -3.995 -7.970 6.284 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -5.709 -8.006 6.761 1.00 0.00 H new ATOM 697 N GLU A 44 -6.839 -10.945 3.458 1.00 0.00 N ATOM 698 CA GLU A 44 -7.193 -12.025 2.498 1.00 0.00 C ATOM 699 C GLU A 44 -7.296 -11.421 1.101 1.00 0.00 C ATOM 700 O GLU A 44 -6.594 -11.806 0.188 1.00 0.00 O ATOM 701 CB GLU A 44 -8.553 -12.546 2.965 1.00 0.00 C ATOM 702 CG GLU A 44 -8.635 -14.054 2.717 1.00 0.00 C ATOM 703 CD GLU A 44 -9.483 -14.705 3.811 1.00 0.00 C ATOM 704 OE1 GLU A 44 -10.687 -14.505 3.797 1.00 0.00 O ATOM 705 OE2 GLU A 44 -8.915 -15.391 4.644 1.00 0.00 O ATOM 0 H GLU A 44 -7.519 -10.783 4.200 1.00 0.00 H new ATOM 0 HA GLU A 44 -6.455 -12.827 2.462 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.691 -12.333 4.025 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -9.353 -12.035 2.430 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -9.073 -14.249 1.738 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.635 -14.487 2.711 1.00 0.00 H new ATOM 712 N GLN A 45 -8.150 -10.451 0.942 1.00 0.00 N ATOM 713 CA GLN A 45 -8.286 -9.786 -0.382 1.00 0.00 C ATOM 714 C GLN A 45 -6.925 -9.225 -0.790 1.00 0.00 C ATOM 715 O GLN A 45 -6.528 -9.272 -1.939 1.00 0.00 O ATOM 716 CB GLN A 45 -9.290 -8.654 -0.149 1.00 0.00 C ATOM 717 CG GLN A 45 -10.595 -8.968 -0.883 1.00 0.00 C ATOM 718 CD GLN A 45 -10.289 -9.320 -2.340 1.00 0.00 C ATOM 719 OE1 GLN A 45 -10.752 -10.323 -2.844 1.00 0.00 O ATOM 720 NE2 GLN A 45 -9.523 -8.530 -3.042 1.00 0.00 N ATOM 0 H GLN A 45 -8.761 -10.089 1.674 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.619 -10.459 -1.172 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.480 -8.536 0.918 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.878 -7.710 -0.505 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -11.107 -9.798 -0.397 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -11.265 -8.110 -0.838 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.134 -7.688 -2.618 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -9.313 -8.755 -4.014 1.00 0.00 H new ATOM 729 N LEU A 46 -6.203 -8.709 0.164 1.00 0.00 N ATOM 730 CA LEU A 46 -4.856 -8.152 -0.123 1.00 0.00 C ATOM 731 C LEU A 46 -3.889 -9.295 -0.429 1.00 0.00 C ATOM 732 O LEU A 46 -2.811 -9.092 -0.950 1.00 0.00 O ATOM 733 CB LEU A 46 -4.455 -7.434 1.166 1.00 0.00 C ATOM 734 CG LEU A 46 -3.090 -6.774 0.985 1.00 0.00 C ATOM 735 CD1 LEU A 46 -3.086 -5.963 -0.308 1.00 0.00 C ATOM 736 CD2 LEU A 46 -2.815 -5.844 2.169 1.00 0.00 C ATOM 0 H LEU A 46 -6.493 -8.650 1.140 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.844 -7.481 -0.982 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -5.202 -6.683 1.422 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -4.420 -8.143 1.993 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.317 -7.541 0.936 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -2.112 -5.491 -0.439 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -3.286 -6.623 -1.152 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.858 -5.195 -0.258 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -1.841 -5.372 2.042 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.587 -5.076 2.216 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -2.821 -6.421 3.094 1.00 0.00 H new ATOM 748 N LYS A 47 -4.276 -10.501 -0.112 1.00 0.00 N ATOM 749 CA LYS A 47 -3.391 -11.667 -0.387 1.00 0.00 C ATOM 750 C LYS A 47 -3.512 -12.068 -1.857 1.00 0.00 C ATOM 751 O LYS A 47 -2.556 -12.485 -2.481 1.00 0.00 O ATOM 752 CB LYS A 47 -3.912 -12.781 0.521 1.00 0.00 C ATOM 753 CG LYS A 47 -2.732 -13.481 1.197 1.00 0.00 C ATOM 754 CD LYS A 47 -2.710 -13.126 2.686 1.00 0.00 C ATOM 755 CE LYS A 47 -3.630 -14.078 3.454 1.00 0.00 C ATOM 756 NZ LYS A 47 -2.732 -14.797 4.399 1.00 0.00 N ATOM 0 H LYS A 47 -5.169 -10.728 0.326 1.00 0.00 H new ATOM 0 HA LYS A 47 -2.340 -11.451 -0.197 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -4.583 -12.367 1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -4.490 -13.499 -0.061 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -2.816 -14.560 1.071 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -1.797 -13.177 0.726 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -1.693 -13.196 3.072 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -3.035 -12.095 2.829 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -4.408 -13.532 3.987 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.132 -14.772 2.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -3.289 -15.470 4.963 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -2.005 -15.313 3.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -2.273 -14.111 5.032 1.00 0.00 H new ATOM 770 N SER A 48 -4.684 -11.937 -2.414 1.00 0.00 N ATOM 771 CA SER A 48 -4.876 -12.300 -3.847 1.00 0.00 C ATOM 772 C SER A 48 -4.181 -11.272 -4.738 1.00 0.00 C ATOM 773 O SER A 48 -3.665 -11.597 -5.787 1.00 0.00 O ATOM 774 CB SER A 48 -6.387 -12.270 -4.066 1.00 0.00 C ATOM 775 OG SER A 48 -6.879 -13.603 -4.117 1.00 0.00 O ATOM 0 H SER A 48 -5.518 -11.594 -1.938 1.00 0.00 H new ATOM 0 HA SER A 48 -4.454 -13.275 -4.091 1.00 0.00 H new ATOM 0 HB2 SER A 48 -6.873 -11.721 -3.259 1.00 0.00 H new ATOM 0 HB3 SER A 48 -6.622 -11.747 -4.993 1.00 0.00 H new ATOM 0 HG SER A 48 -7.849 -13.589 -4.256 1.00 0.00 H new ATOM 781 N ILE A 49 -4.150 -10.034 -4.328 1.00 0.00 N ATOM 782 CA ILE A 49 -3.470 -9.005 -5.164 1.00 0.00 C ATOM 783 C ILE A 49 -1.969 -9.301 -5.204 1.00 0.00 C ATOM 784 O ILE A 49 -1.366 -9.369 -6.258 1.00 0.00 O ATOM 785 CB ILE A 49 -3.780 -7.650 -4.499 1.00 0.00 C ATOM 786 CG1 ILE A 49 -3.923 -6.574 -5.583 1.00 0.00 C ATOM 787 CG2 ILE A 49 -2.664 -7.241 -3.528 1.00 0.00 C ATOM 788 CD1 ILE A 49 -2.828 -6.750 -6.643 1.00 0.00 C ATOM 0 H ILE A 49 -4.562 -9.693 -3.459 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.816 -9.000 -6.198 1.00 0.00 H new ATOM 0 HB ILE A 49 -4.709 -7.748 -3.937 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.906 -6.643 -6.049 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.851 -5.583 -5.135 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -2.910 -6.281 -3.074 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -2.565 -7.996 -2.748 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.723 -7.155 -4.071 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -2.936 -5.982 -7.409 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.849 -6.658 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.920 -7.735 -7.101 1.00 0.00 H new ATOM 800 N ARG A 50 -1.367 -9.505 -4.066 1.00 0.00 N ATOM 801 CA ARG A 50 0.085 -9.827 -4.049 1.00 0.00 C ATOM 802 C ARG A 50 0.278 -11.163 -4.765 1.00 0.00 C ATOM 803 O ARG A 50 1.296 -11.423 -5.372 1.00 0.00 O ATOM 804 CB ARG A 50 0.469 -9.908 -2.561 1.00 0.00 C ATOM 805 CG ARG A 50 0.254 -11.326 -2.017 1.00 0.00 C ATOM 806 CD ARG A 50 1.544 -12.133 -2.182 1.00 0.00 C ATOM 807 NE ARG A 50 1.102 -13.550 -2.302 1.00 0.00 N ATOM 808 CZ ARG A 50 1.914 -14.518 -1.970 1.00 0.00 C ATOM 809 NH1 ARG A 50 3.199 -14.300 -1.908 1.00 0.00 N ATOM 810 NH2 ARG A 50 1.441 -15.705 -1.703 1.00 0.00 N ATOM 0 H ARG A 50 -1.816 -9.463 -3.151 1.00 0.00 H new ATOM 0 HA ARG A 50 0.708 -9.089 -4.555 1.00 0.00 H new ATOM 0 HB2 ARG A 50 1.513 -9.620 -2.434 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -0.129 -9.200 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -0.031 -11.285 -0.966 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -0.563 -11.812 -2.550 1.00 0.00 H new ATOM 0 HD2 ARG A 50 2.097 -11.816 -3.066 1.00 0.00 H new ATOM 0 HD3 ARG A 50 2.206 -11.998 -1.327 1.00 0.00 H new ATOM 0 HE ARG A 50 0.165 -13.765 -2.643 1.00 0.00 H new ATOM 0 HH11 ARG A 50 3.570 -13.373 -2.119 1.00 0.00 H new ATOM 0 HH12 ARG A 50 3.833 -15.056 -1.649 1.00 0.00 H new ATOM 0 HH21 ARG A 50 0.437 -15.877 -1.754 1.00 0.00 H new ATOM 0 HH22 ARG A 50 2.076 -16.460 -1.444 1.00 0.00 H new ATOM 824 N GLU A 51 -0.726 -11.993 -4.714 1.00 0.00 N ATOM 825 CA GLU A 51 -0.666 -13.311 -5.401 1.00 0.00 C ATOM 826 C GLU A 51 -0.823 -13.081 -6.898 1.00 0.00 C ATOM 827 O GLU A 51 -0.024 -13.511 -7.705 1.00 0.00 O ATOM 828 CB GLU A 51 -1.867 -14.074 -4.841 1.00 0.00 C ATOM 829 CG GLU A 51 -2.113 -15.360 -5.636 1.00 0.00 C ATOM 830 CD GLU A 51 -0.780 -16.007 -6.026 1.00 0.00 C ATOM 831 OE1 GLU A 51 -0.083 -16.466 -5.137 1.00 0.00 O ATOM 832 OE2 GLU A 51 -0.480 -16.032 -7.207 1.00 0.00 O ATOM 0 H GLU A 51 -1.598 -11.810 -4.218 1.00 0.00 H new ATOM 0 HA GLU A 51 0.267 -13.852 -5.245 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -1.693 -14.317 -3.793 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -2.755 -13.442 -4.879 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.703 -16.057 -5.040 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.693 -15.137 -6.532 1.00 0.00 H new ATOM 839 N ASP A 52 -1.848 -12.378 -7.263 1.00 0.00 N ATOM 840 CA ASP A 52 -2.068 -12.075 -8.702 1.00 0.00 C ATOM 841 C ASP A 52 -0.786 -11.476 -9.280 1.00 0.00 C ATOM 842 O ASP A 52 -0.274 -11.926 -10.284 1.00 0.00 O ATOM 843 CB ASP A 52 -3.201 -11.048 -8.722 1.00 0.00 C ATOM 844 CG ASP A 52 -4.469 -11.689 -9.286 1.00 0.00 C ATOM 845 OD1 ASP A 52 -4.524 -12.907 -9.332 1.00 0.00 O ATOM 846 OD2 ASP A 52 -5.364 -10.951 -9.661 1.00 0.00 O ATOM 0 H ASP A 52 -2.548 -11.997 -6.627 1.00 0.00 H new ATOM 0 HA ASP A 52 -2.320 -12.956 -9.293 1.00 0.00 H new ATOM 0 HB2 ASP A 52 -3.387 -10.678 -7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 52 -2.915 -10.189 -9.329 1.00 0.00 H new ATOM 851 N ILE A 53 -0.252 -10.474 -8.635 1.00 0.00 N ATOM 852 CA ILE A 53 1.012 -9.860 -9.128 1.00 0.00 C ATOM 853 C ILE A 53 2.158 -10.861 -8.954 1.00 0.00 C ATOM 854 O ILE A 53 3.231 -10.702 -9.503 1.00 0.00 O ATOM 855 CB ILE A 53 1.229 -8.627 -8.249 1.00 0.00 C ATOM 856 CG1 ILE A 53 0.014 -7.701 -8.366 1.00 0.00 C ATOM 857 CG2 ILE A 53 2.484 -7.884 -8.717 1.00 0.00 C ATOM 858 CD1 ILE A 53 0.298 -6.377 -7.649 1.00 0.00 C ATOM 0 H ILE A 53 -0.637 -10.055 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 53 0.969 -9.591 -10.183 1.00 0.00 H new ATOM 0 HB ILE A 53 1.354 -8.935 -7.211 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -0.213 -7.515 -9.416 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -0.863 -8.180 -7.930 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.641 -7.005 -8.092 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.348 -8.544 -8.638 1.00 0.00 H new ATOM 0 HG23 ILE A 53 2.358 -7.574 -9.754 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.570 -5.723 -7.736 1.00 0.00 H new ATOM 0 HD12 ILE A 53 0.503 -6.570 -6.596 1.00 0.00 H new ATOM 0 HD13 ILE A 53 1.163 -5.895 -8.104 1.00 0.00 H new ATOM 870 N VAL A 54 1.926 -11.901 -8.194 1.00 0.00 N ATOM 871 CA VAL A 54 2.982 -12.931 -7.977 1.00 0.00 C ATOM 872 C VAL A 54 2.934 -13.961 -9.111 1.00 0.00 C ATOM 873 O VAL A 54 3.944 -14.309 -9.691 1.00 0.00 O ATOM 874 CB VAL A 54 2.637 -13.564 -6.616 1.00 0.00 C ATOM 875 CG1 VAL A 54 3.003 -15.051 -6.598 1.00 0.00 C ATOM 876 CG2 VAL A 54 3.417 -12.848 -5.514 1.00 0.00 C ATOM 0 H VAL A 54 1.045 -12.080 -7.713 1.00 0.00 H new ATOM 0 HA VAL A 54 3.992 -12.520 -7.975 1.00 0.00 H new ATOM 0 HB VAL A 54 1.564 -13.463 -6.450 1.00 0.00 H new ATOM 0 HG11 VAL A 54 2.750 -15.476 -5.627 1.00 0.00 H new ATOM 0 HG12 VAL A 54 2.448 -15.572 -7.378 1.00 0.00 H new ATOM 0 HG13 VAL A 54 4.072 -15.165 -6.777 1.00 0.00 H new ATOM 0 HG21 VAL A 54 3.175 -13.293 -4.549 1.00 0.00 H new ATOM 0 HG22 VAL A 54 4.486 -12.947 -5.702 1.00 0.00 H new ATOM 0 HG23 VAL A 54 3.147 -11.792 -5.504 1.00 0.00 H new ATOM 886 N SER A 55 1.766 -14.447 -9.432 1.00 0.00 N ATOM 887 CA SER A 55 1.650 -15.448 -10.533 1.00 0.00 C ATOM 888 C SER A 55 1.288 -14.747 -11.843 1.00 0.00 C ATOM 889 O SER A 55 1.628 -15.197 -12.918 1.00 0.00 O ATOM 890 CB SER A 55 0.525 -16.389 -10.105 1.00 0.00 C ATOM 891 OG SER A 55 1.064 -17.677 -9.838 1.00 0.00 O ATOM 0 H SER A 55 0.887 -14.195 -8.980 1.00 0.00 H new ATOM 0 HA SER A 55 2.584 -15.984 -10.701 1.00 0.00 H new ATOM 0 HB2 SER A 55 0.028 -15.999 -9.217 1.00 0.00 H new ATOM 0 HB3 SER A 55 -0.229 -16.453 -10.890 1.00 0.00 H new ATOM 0 HG SER A 55 0.344 -18.282 -9.562 1.00 0.00 H new ATOM 897 N GLY A 56 0.596 -13.646 -11.755 1.00 0.00 N ATOM 898 CA GLY A 56 0.205 -12.905 -12.983 1.00 0.00 C ATOM 899 C GLY A 56 0.478 -11.418 -12.774 1.00 0.00 C ATOM 900 O GLY A 56 -0.403 -10.654 -12.435 1.00 0.00 O ATOM 0 H GLY A 56 0.283 -13.226 -10.880 1.00 0.00 H new ATOM 0 HA2 GLY A 56 0.767 -13.274 -13.841 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.851 -13.067 -13.200 1.00 0.00 H new ATOM 904 N LYS A 57 1.695 -11.002 -12.975 1.00 0.00 N ATOM 905 CA LYS A 57 2.041 -9.565 -12.792 1.00 0.00 C ATOM 906 C LYS A 57 1.358 -8.724 -13.873 1.00 0.00 C ATOM 907 O LYS A 57 1.996 -8.009 -14.619 1.00 0.00 O ATOM 908 CB LYS A 57 3.561 -9.514 -12.941 1.00 0.00 C ATOM 909 CG LYS A 57 4.065 -8.114 -12.592 1.00 0.00 C ATOM 910 CD LYS A 57 5.124 -7.693 -13.610 1.00 0.00 C ATOM 911 CE LYS A 57 6.030 -6.624 -12.997 1.00 0.00 C ATOM 912 NZ LYS A 57 7.394 -7.224 -13.010 1.00 0.00 N ATOM 0 H LYS A 57 2.471 -11.599 -13.260 1.00 0.00 H new ATOM 0 HA LYS A 57 1.713 -9.169 -11.831 1.00 0.00 H new ATOM 0 HB2 LYS A 57 4.025 -10.252 -12.287 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.845 -9.769 -13.962 1.00 0.00 H new ATOM 0 HG2 LYS A 57 3.237 -7.405 -12.596 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.486 -8.106 -11.587 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.717 -8.557 -13.911 1.00 0.00 H new ATOM 0 HD3 LYS A 57 4.645 -7.306 -14.509 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.999 -5.701 -13.576 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.717 -6.375 -11.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 8.074 -6.550 -12.604 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.394 -8.098 -12.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.667 -7.444 -13.989 1.00 0.00 H new ATOM 926 N ALA A 58 0.060 -8.814 -13.959 1.00 0.00 N ATOM 927 CA ALA A 58 -0.688 -8.037 -14.981 1.00 0.00 C ATOM 928 C ALA A 58 -0.278 -6.564 -14.951 1.00 0.00 C ATOM 929 O ALA A 58 0.535 -6.120 -15.737 1.00 0.00 O ATOM 930 CB ALA A 58 -2.147 -8.201 -14.569 1.00 0.00 C ATOM 0 H ALA A 58 -0.519 -9.400 -13.357 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.496 -8.383 -15.997 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -2.785 -7.659 -15.267 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -2.412 -9.258 -14.581 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -2.288 -7.803 -13.564 1.00 0.00 H new ATOM 936 N ASN A 59 -0.842 -5.801 -14.057 1.00 0.00 N ATOM 937 CA ASN A 59 -0.490 -4.354 -13.986 1.00 0.00 C ATOM 938 C ASN A 59 -0.261 -3.925 -12.535 1.00 0.00 C ATOM 939 O ASN A 59 0.008 -4.735 -11.669 1.00 0.00 O ATOM 940 CB ASN A 59 -1.701 -3.626 -14.571 1.00 0.00 C ATOM 941 CG ASN A 59 -1.336 -3.042 -15.938 1.00 0.00 C ATOM 942 OD1 ASN A 59 -1.734 -1.942 -16.267 1.00 0.00 O ATOM 943 ND2 ASN A 59 -0.590 -3.736 -16.752 1.00 0.00 N ATOM 0 H ASN A 59 -1.530 -6.115 -13.373 1.00 0.00 H new ATOM 0 HA ASN A 59 0.429 -4.130 -14.528 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -2.540 -4.315 -14.671 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -2.020 -2.831 -13.898 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -0.341 -3.355 -17.665 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -0.256 -4.659 -16.476 1.00 0.00 H new ATOM 950 N PHE A 60 -0.366 -2.652 -12.266 1.00 0.00 N ATOM 951 CA PHE A 60 -0.156 -2.159 -10.876 1.00 0.00 C ATOM 952 C PHE A 60 -0.438 -0.656 -10.798 1.00 0.00 C ATOM 953 O PHE A 60 -0.900 -0.152 -9.794 1.00 0.00 O ATOM 954 CB PHE A 60 1.313 -2.449 -10.570 1.00 0.00 C ATOM 955 CG PHE A 60 1.637 -1.996 -9.166 1.00 0.00 C ATOM 956 CD1 PHE A 60 1.663 -0.630 -8.859 1.00 0.00 C ATOM 957 CD2 PHE A 60 1.913 -2.942 -8.171 1.00 0.00 C ATOM 958 CE1 PHE A 60 1.964 -0.210 -7.557 1.00 0.00 C ATOM 959 CE2 PHE A 60 2.215 -2.521 -6.869 1.00 0.00 C ATOM 960 CZ PHE A 60 2.240 -1.156 -6.563 1.00 0.00 C ATOM 0 H PHE A 60 -0.589 -1.930 -12.952 1.00 0.00 H new ATOM 0 HA PHE A 60 -0.823 -2.642 -10.161 1.00 0.00 H new ATOM 0 HB2 PHE A 60 1.513 -3.515 -10.674 1.00 0.00 H new ATOM 0 HB3 PHE A 60 1.953 -1.933 -11.286 1.00 0.00 H new ATOM 0 HD1 PHE A 60 1.451 0.100 -9.626 1.00 0.00 H new ATOM 0 HD2 PHE A 60 1.893 -3.996 -8.407 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.983 0.844 -7.320 1.00 0.00 H new ATOM 0 HE2 PHE A 60 2.428 -3.250 -6.102 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.472 -0.832 -5.559 1.00 0.00 H new ATOM 970 N GLU A 61 -0.164 0.064 -11.851 1.00 0.00 N ATOM 971 CA GLU A 61 -0.417 1.535 -11.835 1.00 0.00 C ATOM 972 C GLU A 61 -1.901 1.812 -11.592 1.00 0.00 C ATOM 973 O GLU A 61 -2.324 2.021 -10.472 1.00 0.00 O ATOM 974 CB GLU A 61 0.001 2.030 -13.220 1.00 0.00 C ATOM 975 CG GLU A 61 1.421 2.595 -13.157 1.00 0.00 C ATOM 976 CD GLU A 61 1.373 4.115 -13.328 1.00 0.00 C ATOM 977 OE1 GLU A 61 0.943 4.782 -12.401 1.00 0.00 O ATOM 978 OE2 GLU A 61 1.766 4.586 -14.382 1.00 0.00 O ATOM 0 H GLU A 61 0.224 -0.301 -12.721 1.00 0.00 H new ATOM 0 HA GLU A 61 0.136 2.038 -11.042 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.044 1.211 -13.938 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.691 2.797 -13.567 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.883 2.340 -12.203 1.00 0.00 H new ATOM 0 HG3 GLU A 61 2.036 2.150 -13.939 1.00 0.00 H new ATOM 985 N GLU A 62 -2.697 1.815 -12.628 1.00 0.00 N ATOM 986 CA GLU A 62 -4.152 2.078 -12.440 1.00 0.00 C ATOM 987 C GLU A 62 -4.661 1.294 -11.230 1.00 0.00 C ATOM 988 O GLU A 62 -5.434 1.791 -10.435 1.00 0.00 O ATOM 989 CB GLU A 62 -4.820 1.586 -13.724 1.00 0.00 C ATOM 990 CG GLU A 62 -6.104 2.382 -13.964 1.00 0.00 C ATOM 991 CD GLU A 62 -5.753 3.766 -14.512 1.00 0.00 C ATOM 992 OE1 GLU A 62 -4.758 4.320 -14.075 1.00 0.00 O ATOM 993 OE2 GLU A 62 -6.485 4.249 -15.360 1.00 0.00 O ATOM 0 H GLU A 62 -2.404 1.648 -13.591 1.00 0.00 H new ATOM 0 HA GLU A 62 -4.367 3.131 -12.258 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -4.142 1.705 -14.569 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -5.047 0.523 -13.645 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -6.746 1.853 -14.668 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.663 2.479 -13.034 1.00 0.00 H new ATOM 1000 N VAL A 63 -4.218 0.075 -11.073 1.00 0.00 N ATOM 1001 CA VAL A 63 -4.664 -0.728 -9.900 1.00 0.00 C ATOM 1002 C VAL A 63 -4.376 0.053 -8.622 1.00 0.00 C ATOM 1003 O VAL A 63 -5.097 -0.031 -7.650 1.00 0.00 O ATOM 1004 CB VAL A 63 -3.823 -2.005 -9.938 1.00 0.00 C ATOM 1005 CG1 VAL A 63 -3.883 -2.701 -8.576 1.00 0.00 C ATOM 1006 CG2 VAL A 63 -4.370 -2.945 -11.009 1.00 0.00 C ATOM 0 H VAL A 63 -3.570 -0.397 -11.704 1.00 0.00 H new ATOM 0 HA VAL A 63 -5.731 -0.950 -9.926 1.00 0.00 H new ATOM 0 HB VAL A 63 -2.790 -1.748 -10.170 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -3.283 -3.611 -8.605 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -3.492 -2.033 -7.809 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -4.917 -2.956 -8.343 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -3.770 -3.855 -11.035 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.404 -3.199 -10.777 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -4.327 -2.454 -11.981 1.00 0.00 H new ATOM 1016 N ALA A 64 -3.321 0.814 -8.623 1.00 0.00 N ATOM 1017 CA ALA A 64 -2.978 1.607 -7.415 1.00 0.00 C ATOM 1018 C ALA A 64 -3.801 2.893 -7.387 1.00 0.00 C ATOM 1019 O ALA A 64 -4.581 3.127 -6.486 1.00 0.00 O ATOM 1020 CB ALA A 64 -1.491 1.928 -7.569 1.00 0.00 C ATOM 0 H ALA A 64 -2.681 0.921 -9.410 1.00 0.00 H new ATOM 0 HA ALA A 64 -3.187 1.071 -6.489 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.155 2.515 -6.714 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.922 1.000 -7.618 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -1.335 2.498 -8.485 1.00 0.00 H new ATOM 1026 N THR A 65 -3.636 3.726 -8.374 1.00 0.00 N ATOM 1027 CA THR A 65 -4.408 4.997 -8.410 1.00 0.00 C ATOM 1028 C THR A 65 -5.866 4.739 -8.026 1.00 0.00 C ATOM 1029 O THR A 65 -6.559 5.617 -7.549 1.00 0.00 O ATOM 1030 CB THR A 65 -4.316 5.478 -9.858 1.00 0.00 C ATOM 1031 OG1 THR A 65 -3.887 4.407 -10.688 1.00 0.00 O ATOM 1032 CG2 THR A 65 -3.319 6.633 -9.956 1.00 0.00 C ATOM 0 H THR A 65 -3.000 3.582 -9.158 1.00 0.00 H new ATOM 0 HA THR A 65 -4.018 5.735 -7.709 1.00 0.00 H new ATOM 0 HB THR A 65 -5.297 5.821 -10.186 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.254 4.744 -11.356 1.00 0.00 H new ATOM 0 HG21 THR A 65 -3.256 6.973 -10.990 1.00 0.00 H new ATOM 0 HG22 THR A 65 -3.652 7.456 -9.323 1.00 0.00 H new ATOM 0 HG23 THR A 65 -2.337 6.295 -9.625 1.00 0.00 H new ATOM 1040 N ARG A 66 -6.340 3.544 -8.237 1.00 0.00 N ATOM 1041 CA ARG A 66 -7.754 3.232 -7.892 1.00 0.00 C ATOM 1042 C ARG A 66 -7.847 2.672 -6.471 1.00 0.00 C ATOM 1043 O ARG A 66 -8.597 3.156 -5.648 1.00 0.00 O ATOM 1044 CB ARG A 66 -8.178 2.173 -8.910 1.00 0.00 C ATOM 1045 CG ARG A 66 -9.647 2.376 -9.281 1.00 0.00 C ATOM 1046 CD ARG A 66 -10.132 1.181 -10.103 1.00 0.00 C ATOM 1047 NE ARG A 66 -10.449 0.130 -9.099 1.00 0.00 N ATOM 1048 CZ ARG A 66 -11.679 -0.274 -8.947 1.00 0.00 C ATOM 1049 NH1 ARG A 66 -12.515 0.434 -8.239 1.00 0.00 N ATOM 1050 NH2 ARG A 66 -12.073 -1.386 -9.505 1.00 0.00 N ATOM 0 H ARG A 66 -5.809 2.769 -8.634 1.00 0.00 H new ATOM 0 HA ARG A 66 -8.391 4.116 -7.924 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -7.555 2.241 -9.802 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -8.032 1.176 -8.495 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -10.250 2.480 -8.379 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -9.766 3.297 -9.852 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -11.010 1.439 -10.696 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -9.365 0.843 -10.800 1.00 0.00 H new ATOM 0 HE ARG A 66 -9.705 -0.274 -8.530 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.206 1.304 -7.804 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.477 0.118 -8.120 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -11.419 -1.938 -10.059 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -13.035 -1.703 -9.387 1.00 0.00 H new ATOM 1064 N VAL A 67 -7.105 1.642 -6.191 1.00 0.00 N ATOM 1065 CA VAL A 67 -7.156 1.022 -4.837 1.00 0.00 C ATOM 1066 C VAL A 67 -6.043 1.577 -3.934 1.00 0.00 C ATOM 1067 O VAL A 67 -5.326 0.831 -3.298 1.00 0.00 O ATOM 1068 CB VAL A 67 -6.957 -0.484 -5.093 1.00 0.00 C ATOM 1069 CG1 VAL A 67 -7.654 -0.898 -6.388 1.00 0.00 C ATOM 1070 CG2 VAL A 67 -5.469 -0.813 -5.224 1.00 0.00 C ATOM 0 H VAL A 67 -6.460 1.198 -6.845 1.00 0.00 H new ATOM 0 HA VAL A 67 -8.093 1.234 -4.322 1.00 0.00 H new ATOM 0 HB VAL A 67 -7.384 -1.025 -4.248 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -7.505 -1.965 -6.556 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -8.721 -0.688 -6.310 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.234 -0.337 -7.223 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -5.347 -1.881 -5.405 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -5.045 -0.253 -6.058 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -4.953 -0.539 -4.303 1.00 0.00 H new ATOM 1080 N SER A 68 -5.878 2.871 -3.870 1.00 0.00 N ATOM 1081 CA SER A 68 -4.790 3.419 -3.008 1.00 0.00 C ATOM 1082 C SER A 68 -5.312 4.467 -2.015 1.00 0.00 C ATOM 1083 O SER A 68 -6.456 4.875 -2.058 1.00 0.00 O ATOM 1084 CB SER A 68 -3.795 4.037 -3.985 1.00 0.00 C ATOM 1085 OG SER A 68 -3.124 2.998 -4.687 1.00 0.00 O ATOM 0 H SER A 68 -6.439 3.563 -4.368 1.00 0.00 H new ATOM 0 HA SER A 68 -4.340 2.641 -2.391 1.00 0.00 H new ATOM 0 HB2 SER A 68 -4.314 4.690 -4.687 1.00 0.00 H new ATOM 0 HB3 SER A 68 -3.075 4.654 -3.448 1.00 0.00 H new ATOM 0 HG SER A 68 -3.783 2.429 -5.137 1.00 0.00 H new ATOM 1091 N ASP A 69 -4.465 4.884 -1.107 1.00 0.00 N ATOM 1092 CA ASP A 69 -4.869 5.888 -0.074 1.00 0.00 C ATOM 1093 C ASP A 69 -5.319 7.200 -0.718 1.00 0.00 C ATOM 1094 O ASP A 69 -4.531 8.103 -0.905 1.00 0.00 O ATOM 1095 CB ASP A 69 -3.608 6.105 0.766 1.00 0.00 C ATOM 1096 CG ASP A 69 -3.752 7.380 1.601 1.00 0.00 C ATOM 1097 OD1 ASP A 69 -4.859 7.663 2.029 1.00 0.00 O ATOM 1098 OD2 ASP A 69 -2.753 8.052 1.797 1.00 0.00 O ATOM 0 H ASP A 69 -3.498 4.567 -1.037 1.00 0.00 H new ATOM 0 HA ASP A 69 -5.714 5.541 0.521 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -3.444 5.248 1.420 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -2.736 6.182 0.116 1.00 0.00 H new ATOM 1103 N CYS A 70 -6.589 7.299 -1.033 1.00 0.00 N ATOM 1104 CA CYS A 70 -7.148 8.542 -1.655 1.00 0.00 C ATOM 1105 C CYS A 70 -6.073 9.306 -2.432 1.00 0.00 C ATOM 1106 O CYS A 70 -5.871 9.087 -3.610 1.00 0.00 O ATOM 1107 CB CYS A 70 -7.659 9.376 -0.480 1.00 0.00 C ATOM 1108 SG CYS A 70 -8.046 11.052 -1.048 1.00 0.00 S ATOM 0 H CYS A 70 -7.273 6.558 -0.883 1.00 0.00 H new ATOM 0 HA CYS A 70 -7.935 8.314 -2.373 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -8.547 8.912 -0.051 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -6.906 9.413 0.308 1.00 0.00 H new ATOM 0 HG CYS A 70 -8.482 11.759 -0.048 1.00 0.00 H new ATOM 1114 N SER A 71 -5.370 10.192 -1.774 1.00 0.00 N ATOM 1115 CA SER A 71 -4.293 10.949 -2.470 1.00 0.00 C ATOM 1116 C SER A 71 -3.504 9.981 -3.337 1.00 0.00 C ATOM 1117 O SER A 71 -3.388 10.146 -4.536 1.00 0.00 O ATOM 1118 CB SER A 71 -3.419 11.498 -1.348 1.00 0.00 C ATOM 1119 OG SER A 71 -2.359 12.264 -1.905 1.00 0.00 O ATOM 0 H SER A 71 -5.496 10.422 -0.788 1.00 0.00 H new ATOM 0 HA SER A 71 -4.668 11.746 -3.113 1.00 0.00 H new ATOM 0 HB2 SER A 71 -4.015 12.116 -0.677 1.00 0.00 H new ATOM 0 HB3 SER A 71 -3.016 10.679 -0.752 1.00 0.00 H new ATOM 0 HG SER A 71 -1.798 12.619 -1.184 1.00 0.00 H new ATOM 1125 N SER A 72 -2.987 8.951 -2.736 1.00 0.00 N ATOM 1126 CA SER A 72 -2.232 7.942 -3.522 1.00 0.00 C ATOM 1127 C SER A 72 -3.094 7.504 -4.702 1.00 0.00 C ATOM 1128 O SER A 72 -2.606 7.285 -5.785 1.00 0.00 O ATOM 1129 CB SER A 72 -1.982 6.780 -2.562 1.00 0.00 C ATOM 1130 OG SER A 72 -1.610 7.293 -1.290 1.00 0.00 O ATOM 0 H SER A 72 -3.054 8.764 -1.736 1.00 0.00 H new ATOM 0 HA SER A 72 -1.291 8.323 -3.919 1.00 0.00 H new ATOM 0 HB2 SER A 72 -2.880 6.168 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 72 -1.194 6.135 -2.951 1.00 0.00 H new ATOM 0 HG SER A 72 -0.718 6.964 -1.053 1.00 0.00 H new ATOM 1136 N ALA A 73 -4.382 7.405 -4.520 1.00 0.00 N ATOM 1137 CA ALA A 73 -5.240 7.017 -5.673 1.00 0.00 C ATOM 1138 C ALA A 73 -4.865 7.913 -6.849 1.00 0.00 C ATOM 1139 O ALA A 73 -4.957 7.533 -7.999 1.00 0.00 O ATOM 1140 CB ALA A 73 -6.679 7.261 -5.226 1.00 0.00 C ATOM 0 H ALA A 73 -4.870 7.572 -3.640 1.00 0.00 H new ATOM 0 HA ALA A 73 -5.116 5.978 -5.978 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -7.361 6.994 -6.033 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -6.896 6.650 -4.350 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -6.809 8.314 -4.975 1.00 0.00 H new ATOM 1146 N LYS A 74 -4.394 9.093 -6.551 1.00 0.00 N ATOM 1147 CA LYS A 74 -3.946 10.018 -7.626 1.00 0.00 C ATOM 1148 C LYS A 74 -2.478 9.702 -7.917 1.00 0.00 C ATOM 1149 O LYS A 74 -2.001 9.814 -9.028 1.00 0.00 O ATOM 1150 CB LYS A 74 -4.102 11.424 -7.039 1.00 0.00 C ATOM 1151 CG LYS A 74 -4.017 12.461 -8.164 1.00 0.00 C ATOM 1152 CD LYS A 74 -2.649 13.147 -8.130 1.00 0.00 C ATOM 1153 CE LYS A 74 -2.729 14.484 -8.873 1.00 0.00 C ATOM 1154 NZ LYS A 74 -3.397 15.412 -7.920 1.00 0.00 N ATOM 0 H LYS A 74 -4.300 9.457 -5.603 1.00 0.00 H new ATOM 0 HA LYS A 74 -4.510 9.927 -8.554 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -5.058 11.510 -6.523 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -3.323 11.609 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.169 11.978 -9.129 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -4.809 13.201 -8.050 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -2.338 13.310 -7.098 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -1.898 12.507 -8.592 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -1.737 14.844 -9.146 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -3.299 14.389 -9.797 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -4.232 15.834 -8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.693 14.886 -7.073 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -2.734 16.165 -7.646 1.00 0.00 H new ATOM 1168 N ARG A 75 -1.777 9.273 -6.901 1.00 0.00 N ATOM 1169 CA ARG A 75 -0.344 8.896 -7.047 1.00 0.00 C ATOM 1170 C ARG A 75 -0.188 7.419 -6.662 1.00 0.00 C ATOM 1171 O ARG A 75 0.551 7.074 -5.762 1.00 0.00 O ATOM 1172 CB ARG A 75 0.397 9.791 -6.050 1.00 0.00 C ATOM 1173 CG ARG A 75 1.204 10.838 -6.811 1.00 0.00 C ATOM 1174 CD ARG A 75 2.293 10.136 -7.619 1.00 0.00 C ATOM 1175 NE ARG A 75 3.576 10.642 -7.058 1.00 0.00 N ATOM 1176 CZ ARG A 75 3.886 10.395 -5.816 1.00 0.00 C ATOM 1177 NH1 ARG A 75 4.410 9.245 -5.493 1.00 0.00 N ATOM 1178 NH2 ARG A 75 3.670 11.296 -4.898 1.00 0.00 N ATOM 0 H ARG A 75 -2.148 9.167 -5.957 1.00 0.00 H new ATOM 0 HA ARG A 75 0.038 9.023 -8.060 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -0.315 10.278 -5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 75 1.058 9.189 -5.426 1.00 0.00 H new ATOM 0 HG2 ARG A 75 0.552 11.408 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 75 1.650 11.548 -6.115 1.00 0.00 H new ATOM 0 HD2 ARG A 75 2.220 9.053 -7.522 1.00 0.00 H new ATOM 0 HD3 ARG A 75 2.208 10.368 -8.681 1.00 0.00 H new ATOM 0 HE ARG A 75 4.212 11.182 -7.645 1.00 0.00 H new ATOM 0 HH11 ARG A 75 4.577 8.541 -6.212 1.00 0.00 H new ATOM 0 HH12 ARG A 75 4.653 9.050 -4.522 1.00 0.00 H new ATOM 0 HH21 ARG A 75 3.258 12.194 -5.152 1.00 0.00 H new ATOM 0 HH22 ARG A 75 3.913 11.102 -3.926 1.00 0.00 H new ATOM 1192 N GLY A 76 -0.913 6.551 -7.319 1.00 0.00 N ATOM 1193 CA GLY A 76 -0.852 5.102 -6.976 1.00 0.00 C ATOM 1194 C GLY A 76 0.418 4.479 -7.537 1.00 0.00 C ATOM 1195 O GLY A 76 0.778 3.371 -7.195 1.00 0.00 O ATOM 0 H GLY A 76 -1.547 6.787 -8.082 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -0.879 4.976 -5.894 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.725 4.589 -7.379 1.00 0.00 H new ATOM 1199 N GLY A 77 1.106 5.173 -8.394 1.00 0.00 N ATOM 1200 CA GLY A 77 2.350 4.599 -8.962 1.00 0.00 C ATOM 1201 C GLY A 77 3.273 4.180 -7.820 1.00 0.00 C ATOM 1202 O GLY A 77 3.152 3.101 -7.259 1.00 0.00 O ATOM 0 H GLY A 77 0.862 6.107 -8.724 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.115 3.740 -9.590 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.847 5.332 -9.597 1.00 0.00 H new ATOM 1206 N ASP A 78 4.196 5.022 -7.462 1.00 0.00 N ATOM 1207 CA ASP A 78 5.120 4.654 -6.360 1.00 0.00 C ATOM 1208 C ASP A 78 5.669 5.892 -5.652 1.00 0.00 C ATOM 1209 O ASP A 78 5.526 7.007 -6.111 1.00 0.00 O ATOM 1210 CB ASP A 78 6.256 3.894 -7.046 1.00 0.00 C ATOM 1211 CG ASP A 78 6.960 4.818 -8.041 1.00 0.00 C ATOM 1212 OD1 ASP A 78 6.301 5.696 -8.574 1.00 0.00 O ATOM 1213 OD2 ASP A 78 8.148 4.635 -8.251 1.00 0.00 O ATOM 0 H ASP A 78 4.350 5.940 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 78 4.616 4.064 -5.595 1.00 0.00 H new ATOM 0 HB2 ASP A 78 6.967 3.533 -6.303 1.00 0.00 H new ATOM 0 HB3 ASP A 78 5.862 3.018 -7.562 1.00 0.00 H new ATOM 1218 N LEU A 79 6.315 5.686 -4.540 1.00 0.00 N ATOM 1219 CA LEU A 79 6.903 6.826 -3.786 1.00 0.00 C ATOM 1220 C LEU A 79 8.182 7.275 -4.491 1.00 0.00 C ATOM 1221 O LEU A 79 8.364 8.431 -4.817 1.00 0.00 O ATOM 1222 CB LEU A 79 7.241 6.257 -2.401 1.00 0.00 C ATOM 1223 CG LEU A 79 5.964 6.000 -1.591 1.00 0.00 C ATOM 1224 CD1 LEU A 79 5.072 4.992 -2.317 1.00 0.00 C ATOM 1225 CD2 LEU A 79 6.346 5.426 -0.225 1.00 0.00 C ATOM 0 H LEU A 79 6.462 4.769 -4.118 1.00 0.00 H new ATOM 0 HA LEU A 79 6.231 7.682 -3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 79 7.800 5.328 -2.511 1.00 0.00 H new ATOM 0 HB3 LEU A 79 7.884 6.954 -1.863 1.00 0.00 H new ATOM 0 HG LEU A 79 5.423 6.939 -1.472 1.00 0.00 H new ATOM 0 HD11 LEU A 79 4.169 4.818 -1.732 1.00 0.00 H new ATOM 0 HD12 LEU A 79 4.800 5.386 -3.296 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.611 4.053 -2.441 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.443 5.241 0.357 1.00 0.00 H new ATOM 0 HD22 LEU A 79 6.888 4.490 -0.362 1.00 0.00 H new ATOM 0 HD23 LEU A 79 6.979 6.138 0.305 1.00 0.00 H new ATOM 1237 N GLY A 80 9.068 6.348 -4.715 1.00 0.00 N ATOM 1238 CA GLY A 80 10.356 6.661 -5.384 1.00 0.00 C ATOM 1239 C GLY A 80 11.473 6.443 -4.381 1.00 0.00 C ATOM 1240 O GLY A 80 12.155 5.443 -4.403 1.00 0.00 O ATOM 0 H GLY A 80 8.950 5.368 -4.457 1.00 0.00 H new ATOM 0 HA2 GLY A 80 10.497 6.022 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 80 10.360 7.691 -5.740 1.00 0.00 H new ATOM 1244 N SER A 81 11.648 7.369 -3.488 1.00 0.00 N ATOM 1245 CA SER A 81 12.717 7.219 -2.469 1.00 0.00 C ATOM 1246 C SER A 81 12.391 8.031 -1.220 1.00 0.00 C ATOM 1247 O SER A 81 12.089 9.206 -1.286 1.00 0.00 O ATOM 1248 CB SER A 81 13.975 7.744 -3.142 1.00 0.00 C ATOM 1249 OG SER A 81 14.096 9.139 -2.899 1.00 0.00 O ATOM 0 H SER A 81 11.097 8.225 -3.419 1.00 0.00 H new ATOM 0 HA SER A 81 12.829 6.185 -2.142 1.00 0.00 H new ATOM 0 HB2 SER A 81 14.851 7.220 -2.759 1.00 0.00 H new ATOM 0 HB3 SER A 81 13.933 7.553 -4.214 1.00 0.00 H new ATOM 0 HG SER A 81 13.247 9.485 -2.552 1.00 0.00 H new ATOM 1255 N PHE A 82 12.451 7.405 -0.084 1.00 0.00 N ATOM 1256 CA PHE A 82 12.150 8.117 1.185 1.00 0.00 C ATOM 1257 C PHE A 82 12.806 7.366 2.345 1.00 0.00 C ATOM 1258 O PHE A 82 13.815 6.713 2.173 1.00 0.00 O ATOM 1259 CB PHE A 82 10.624 8.089 1.296 1.00 0.00 C ATOM 1260 CG PHE A 82 10.127 6.675 1.105 1.00 0.00 C ATOM 1261 CD1 PHE A 82 10.125 6.100 -0.172 1.00 0.00 C ATOM 1262 CD2 PHE A 82 9.665 5.943 2.204 1.00 0.00 C ATOM 1263 CE1 PHE A 82 9.660 4.790 -0.348 1.00 0.00 C ATOM 1264 CE2 PHE A 82 9.201 4.634 2.028 1.00 0.00 C ATOM 1265 CZ PHE A 82 9.199 4.058 0.752 1.00 0.00 C ATOM 0 H PHE A 82 12.698 6.421 0.022 1.00 0.00 H new ATOM 0 HA PHE A 82 12.528 9.139 1.209 1.00 0.00 H new ATOM 0 HB2 PHE A 82 10.313 8.466 2.271 1.00 0.00 H new ATOM 0 HB3 PHE A 82 10.183 8.745 0.545 1.00 0.00 H new ATOM 0 HD1 PHE A 82 10.481 6.666 -1.020 1.00 0.00 H new ATOM 0 HD2 PHE A 82 9.666 6.388 3.188 1.00 0.00 H new ATOM 0 HE1 PHE A 82 9.657 4.345 -1.332 1.00 0.00 H new ATOM 0 HE2 PHE A 82 8.845 4.069 2.876 1.00 0.00 H new ATOM 0 HZ PHE A 82 8.841 3.048 0.616 1.00 0.00 H new ATOM 1275 N GLY A 83 12.253 7.445 3.520 1.00 0.00 N ATOM 1276 CA GLY A 83 12.867 6.722 4.665 1.00 0.00 C ATOM 1277 C GLY A 83 12.406 7.349 5.977 1.00 0.00 C ATOM 1278 O GLY A 83 11.520 6.848 6.640 1.00 0.00 O ATOM 0 H GLY A 83 11.409 7.975 3.737 1.00 0.00 H new ATOM 0 HA2 GLY A 83 12.586 5.669 4.636 1.00 0.00 H new ATOM 0 HA3 GLY A 83 13.954 6.764 4.593 1.00 0.00 H new ATOM 1282 N ARG A 84 13.003 8.441 6.361 1.00 0.00 N ATOM 1283 CA ARG A 84 12.604 9.100 7.636 1.00 0.00 C ATOM 1284 C ARG A 84 11.759 10.347 7.355 1.00 0.00 C ATOM 1285 O ARG A 84 12.166 11.232 6.629 1.00 0.00 O ATOM 1286 CB ARG A 84 13.921 9.497 8.304 1.00 0.00 C ATOM 1287 CG ARG A 84 14.907 8.323 8.261 1.00 0.00 C ATOM 1288 CD ARG A 84 14.206 7.029 8.691 1.00 0.00 C ATOM 1289 NE ARG A 84 13.607 7.329 10.022 1.00 0.00 N ATOM 1290 CZ ARG A 84 13.482 6.382 10.910 1.00 0.00 C ATOM 1291 NH1 ARG A 84 14.530 5.707 11.297 1.00 0.00 N ATOM 1292 NH2 ARG A 84 12.308 6.111 11.411 1.00 0.00 N ATOM 0 H ARG A 84 13.751 8.907 5.847 1.00 0.00 H new ATOM 0 HA ARG A 84 12.002 8.443 8.264 1.00 0.00 H new ATOM 0 HB2 ARG A 84 14.350 10.361 7.796 1.00 0.00 H new ATOM 0 HB3 ARG A 84 13.739 9.792 9.337 1.00 0.00 H new ATOM 0 HG2 ARG A 84 15.307 8.211 7.253 1.00 0.00 H new ATOM 0 HG3 ARG A 84 15.752 8.524 8.919 1.00 0.00 H new ATOM 0 HD2 ARG A 84 13.440 6.739 7.972 1.00 0.00 H new ATOM 0 HD3 ARG A 84 14.913 6.202 8.755 1.00 0.00 H new ATOM 0 HE ARG A 84 13.295 8.275 10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 84 15.447 5.920 10.905 1.00 0.00 H new ATOM 0 HH12 ARG A 84 14.432 4.966 11.992 1.00 0.00 H new ATOM 0 HH21 ARG A 84 11.490 6.639 11.108 1.00 0.00 H new ATOM 0 HH22 ARG A 84 12.208 5.371 12.106 1.00 0.00 H new ATOM 1306 N GLY A 85 10.593 10.431 7.936 1.00 0.00 N ATOM 1307 CA GLY A 85 9.732 11.630 7.716 1.00 0.00 C ATOM 1308 C GLY A 85 8.680 11.347 6.639 1.00 0.00 C ATOM 1309 O GLY A 85 7.983 12.239 6.196 1.00 0.00 O ATOM 0 H GLY A 85 10.199 9.722 8.554 1.00 0.00 H new ATOM 0 HA2 GLY A 85 9.240 11.908 8.648 1.00 0.00 H new ATOM 0 HA3 GLY A 85 10.349 12.477 7.416 1.00 0.00 H new ATOM 1313 N GLN A 86 8.553 10.122 6.211 1.00 0.00 N ATOM 1314 CA GLN A 86 7.536 9.807 5.163 1.00 0.00 C ATOM 1315 C GLN A 86 6.635 8.662 5.626 1.00 0.00 C ATOM 1316 O GLN A 86 5.446 8.826 5.812 1.00 0.00 O ATOM 1317 CB GLN A 86 8.338 9.373 3.933 1.00 0.00 C ATOM 1318 CG GLN A 86 9.571 10.261 3.773 1.00 0.00 C ATOM 1319 CD GLN A 86 9.690 10.711 2.314 1.00 0.00 C ATOM 1320 OE1 GLN A 86 8.696 10.928 1.649 1.00 0.00 O ATOM 1321 NE2 GLN A 86 10.874 10.860 1.786 1.00 0.00 N ATOM 0 H GLN A 86 9.104 9.328 6.537 1.00 0.00 H new ATOM 0 HA GLN A 86 6.895 10.663 4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 86 8.641 8.331 4.035 1.00 0.00 H new ATOM 0 HB3 GLN A 86 7.715 9.438 3.041 1.00 0.00 H new ATOM 0 HG2 GLN A 86 9.494 11.129 4.427 1.00 0.00 H new ATOM 0 HG3 GLN A 86 10.466 9.715 4.071 1.00 0.00 H new ATOM 0 HE21 GLN A 86 11.708 10.678 2.344 1.00 0.00 H new ATOM 0 HE22 GLN A 86 10.965 11.159 0.815 1.00 0.00 H new ATOM 1330 N MET A 87 7.199 7.501 5.802 1.00 0.00 N ATOM 1331 CA MET A 87 6.395 6.328 6.242 1.00 0.00 C ATOM 1332 C MET A 87 6.701 6.002 7.709 1.00 0.00 C ATOM 1333 O MET A 87 7.845 5.940 8.115 1.00 0.00 O ATOM 1334 CB MET A 87 6.852 5.202 5.316 1.00 0.00 C ATOM 1335 CG MET A 87 5.822 4.997 4.194 1.00 0.00 C ATOM 1336 SD MET A 87 5.261 6.597 3.551 1.00 0.00 S ATOM 1337 CE MET A 87 6.792 7.051 2.701 1.00 0.00 C ATOM 0 H MET A 87 8.191 7.313 5.659 1.00 0.00 H new ATOM 0 HA MET A 87 5.319 6.495 6.185 1.00 0.00 H new ATOM 0 HB2 MET A 87 7.825 5.443 4.888 1.00 0.00 H new ATOM 0 HB3 MET A 87 6.973 4.279 5.883 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.264 4.409 3.389 1.00 0.00 H new ATOM 0 HG3 MET A 87 4.971 4.431 4.572 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.646 7.989 2.165 1.00 0.00 H new ATOM 0 HE2 MET A 87 7.592 7.171 3.432 1.00 0.00 H new ATOM 0 HE3 MET A 87 7.061 6.267 1.993 1.00 0.00 H new ATOM 1347 N GLN A 88 5.686 5.806 8.508 1.00 0.00 N ATOM 1348 CA GLN A 88 5.916 5.499 9.952 1.00 0.00 C ATOM 1349 C GLN A 88 6.790 4.244 10.107 1.00 0.00 C ATOM 1350 O GLN A 88 7.571 3.910 9.238 1.00 0.00 O ATOM 1351 CB GLN A 88 4.514 5.277 10.531 1.00 0.00 C ATOM 1352 CG GLN A 88 4.111 6.490 11.373 1.00 0.00 C ATOM 1353 CD GLN A 88 2.984 6.093 12.326 1.00 0.00 C ATOM 1354 OE1 GLN A 88 1.931 6.699 12.328 1.00 0.00 O ATOM 1355 NE2 GLN A 88 3.161 5.092 13.145 1.00 0.00 N ATOM 0 H GLN A 88 4.707 5.845 8.224 1.00 0.00 H new ATOM 0 HA GLN A 88 6.445 6.299 10.469 1.00 0.00 H new ATOM 0 HB2 GLN A 88 3.796 5.126 9.725 1.00 0.00 H new ATOM 0 HB3 GLN A 88 4.500 4.375 11.143 1.00 0.00 H new ATOM 0 HG2 GLN A 88 4.968 6.856 11.938 1.00 0.00 H new ATOM 0 HG3 GLN A 88 3.785 7.304 10.726 1.00 0.00 H new ATOM 0 HE21 GLN A 88 4.045 4.582 13.144 1.00 0.00 H new ATOM 0 HE22 GLN A 88 2.416 4.819 13.786 1.00 0.00 H new ATOM 1364 N LYS A 89 6.674 3.557 11.214 1.00 0.00 N ATOM 1365 CA LYS A 89 7.507 2.337 11.438 1.00 0.00 C ATOM 1366 C LYS A 89 6.928 1.069 10.768 1.00 0.00 C ATOM 1367 O LYS A 89 7.667 0.135 10.530 1.00 0.00 O ATOM 1368 CB LYS A 89 7.532 2.160 12.956 1.00 0.00 C ATOM 1369 CG LYS A 89 6.123 1.834 13.456 1.00 0.00 C ATOM 1370 CD LYS A 89 6.204 1.229 14.858 1.00 0.00 C ATOM 1371 CE LYS A 89 6.233 2.353 15.897 1.00 0.00 C ATOM 1372 NZ LYS A 89 4.932 2.245 16.614 1.00 0.00 N ATOM 0 H LYS A 89 6.036 3.789 11.975 1.00 0.00 H new ATOM 0 HA LYS A 89 8.495 2.466 10.996 1.00 0.00 H new ATOM 0 HB2 LYS A 89 8.220 1.360 13.228 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.897 3.070 13.433 1.00 0.00 H new ATOM 0 HG2 LYS A 89 5.514 2.738 13.474 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.637 1.135 12.775 1.00 0.00 H new ATOM 0 HD2 LYS A 89 5.348 0.578 15.035 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.098 0.612 14.949 1.00 0.00 H new ATOM 0 HE2 LYS A 89 7.073 2.236 16.582 1.00 0.00 H new ATOM 0 HE3 LYS A 89 6.343 3.328 15.422 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 4.876 2.983 17.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 4.152 2.367 15.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 4.859 1.309 17.062 1.00 0.00 H new ATOM 1386 N PRO A 90 5.640 1.040 10.490 1.00 0.00 N ATOM 1387 CA PRO A 90 5.054 -0.168 9.864 1.00 0.00 C ATOM 1388 C PRO A 90 5.437 -0.244 8.385 1.00 0.00 C ATOM 1389 O PRO A 90 6.058 -1.192 7.946 1.00 0.00 O ATOM 1390 CB PRO A 90 3.553 0.013 10.052 1.00 0.00 C ATOM 1391 CG PRO A 90 3.345 1.486 10.194 1.00 0.00 C ATOM 1392 CD PRO A 90 4.632 2.084 10.706 1.00 0.00 C ATOM 0 HA PRO A 90 5.411 -1.098 10.307 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.000 -0.381 9.199 1.00 0.00 H new ATOM 0 HB3 PRO A 90 3.201 -0.520 10.935 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.073 1.928 9.236 1.00 0.00 H new ATOM 0 HG3 PRO A 90 2.527 1.692 10.884 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.886 2.997 10.168 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.554 2.347 11.761 1.00 0.00 H new ATOM 1400 N PHE A 91 5.091 0.745 7.610 1.00 0.00 N ATOM 1401 CA PHE A 91 5.466 0.702 6.170 1.00 0.00 C ATOM 1402 C PHE A 91 6.985 0.627 6.047 1.00 0.00 C ATOM 1403 O PHE A 91 7.529 -0.253 5.414 1.00 0.00 O ATOM 1404 CB PHE A 91 4.940 2.013 5.562 1.00 0.00 C ATOM 1405 CG PHE A 91 5.404 2.139 4.119 1.00 0.00 C ATOM 1406 CD1 PHE A 91 6.772 2.226 3.809 1.00 0.00 C ATOM 1407 CD2 PHE A 91 4.462 2.143 3.084 1.00 0.00 C ATOM 1408 CE1 PHE A 91 7.189 2.314 2.483 1.00 0.00 C ATOM 1409 CE2 PHE A 91 4.884 2.238 1.749 1.00 0.00 C ATOM 1410 CZ PHE A 91 6.248 2.321 1.450 1.00 0.00 C ATOM 0 H PHE A 91 4.571 1.571 7.906 1.00 0.00 H new ATOM 0 HA PHE A 91 5.048 -0.165 5.658 1.00 0.00 H new ATOM 0 HB2 PHE A 91 3.851 2.033 5.606 1.00 0.00 H new ATOM 0 HB3 PHE A 91 5.298 2.863 6.143 1.00 0.00 H new ATOM 0 HD1 PHE A 91 7.504 2.225 4.603 1.00 0.00 H new ATOM 0 HD2 PHE A 91 3.409 2.073 3.313 1.00 0.00 H new ATOM 0 HE1 PHE A 91 8.242 2.377 2.253 1.00 0.00 H new ATOM 0 HE2 PHE A 91 4.155 2.247 0.952 1.00 0.00 H new ATOM 0 HZ PHE A 91 6.573 2.390 0.422 1.00 0.00 H new ATOM 1420 N GLU A 92 7.669 1.569 6.628 1.00 0.00 N ATOM 1421 CA GLU A 92 9.156 1.589 6.534 1.00 0.00 C ATOM 1422 C GLU A 92 9.722 0.177 6.661 1.00 0.00 C ATOM 1423 O GLU A 92 10.229 -0.384 5.711 1.00 0.00 O ATOM 1424 CB GLU A 92 9.610 2.465 7.704 1.00 0.00 C ATOM 1425 CG GLU A 92 11.059 2.902 7.490 1.00 0.00 C ATOM 1426 CD GLU A 92 11.402 4.025 8.470 1.00 0.00 C ATOM 1427 OE1 GLU A 92 10.658 4.204 9.420 1.00 0.00 O ATOM 1428 OE2 GLU A 92 12.404 4.687 8.254 1.00 0.00 O ATOM 0 H GLU A 92 7.261 2.332 7.168 1.00 0.00 H new ATOM 0 HA GLU A 92 9.504 1.974 5.576 1.00 0.00 H new ATOM 0 HB2 GLU A 92 8.965 3.340 7.787 1.00 0.00 H new ATOM 0 HB3 GLU A 92 9.521 1.913 8.640 1.00 0.00 H new ATOM 0 HG2 GLU A 92 11.731 2.057 7.639 1.00 0.00 H new ATOM 0 HG3 GLU A 92 11.199 3.244 6.465 1.00 0.00 H new ATOM 1435 N GLU A 93 9.642 -0.402 7.823 1.00 0.00 N ATOM 1436 CA GLU A 93 10.181 -1.778 7.996 1.00 0.00 C ATOM 1437 C GLU A 93 9.759 -2.652 6.808 1.00 0.00 C ATOM 1438 O GLU A 93 10.436 -3.592 6.444 1.00 0.00 O ATOM 1439 CB GLU A 93 9.590 -2.283 9.322 1.00 0.00 C ATOM 1440 CG GLU A 93 8.286 -3.052 9.082 1.00 0.00 C ATOM 1441 CD GLU A 93 7.608 -3.327 10.425 1.00 0.00 C ATOM 1442 OE1 GLU A 93 8.210 -3.023 11.442 1.00 0.00 O ATOM 1443 OE2 GLU A 93 6.500 -3.837 10.415 1.00 0.00 O ATOM 0 H GLU A 93 9.229 0.014 8.658 1.00 0.00 H new ATOM 0 HA GLU A 93 11.270 -1.806 8.026 1.00 0.00 H new ATOM 0 HB2 GLU A 93 10.311 -2.929 9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 93 9.402 -1.439 9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 93 7.623 -2.474 8.438 1.00 0.00 H new ATOM 0 HG3 GLU A 93 8.493 -3.990 8.567 1.00 0.00 H new ATOM 1450 N ALA A 94 8.648 -2.338 6.193 1.00 0.00 N ATOM 1451 CA ALA A 94 8.193 -3.142 5.023 1.00 0.00 C ATOM 1452 C ALA A 94 9.164 -2.965 3.860 1.00 0.00 C ATOM 1453 O ALA A 94 9.744 -3.913 3.368 1.00 0.00 O ATOM 1454 CB ALA A 94 6.822 -2.575 4.654 1.00 0.00 C ATOM 0 H ALA A 94 8.039 -1.562 6.451 1.00 0.00 H new ATOM 0 HA ALA A 94 8.146 -4.207 5.250 1.00 0.00 H new ATOM 0 HB1 ALA A 94 6.422 -3.118 3.798 1.00 0.00 H new ATOM 0 HB2 ALA A 94 6.144 -2.682 5.501 1.00 0.00 H new ATOM 0 HB3 ALA A 94 6.921 -1.520 4.400 1.00 0.00 H new ATOM 1460 N THR A 95 9.348 -1.755 3.419 1.00 0.00 N ATOM 1461 CA THR A 95 10.286 -1.515 2.290 1.00 0.00 C ATOM 1462 C THR A 95 11.713 -1.798 2.749 1.00 0.00 C ATOM 1463 O THR A 95 12.563 -2.193 1.976 1.00 0.00 O ATOM 1464 CB THR A 95 10.115 -0.042 1.926 1.00 0.00 C ATOM 1465 OG1 THR A 95 8.738 0.302 1.985 1.00 0.00 O ATOM 1466 CG2 THR A 95 10.641 0.185 0.510 1.00 0.00 C ATOM 0 H THR A 95 8.891 -0.922 3.790 1.00 0.00 H new ATOM 0 HA THR A 95 10.085 -2.159 1.434 1.00 0.00 H new ATOM 0 HB THR A 95 10.671 0.580 2.627 1.00 0.00 H new ATOM 0 HG1 THR A 95 8.585 0.910 2.738 1.00 0.00 H new ATOM 0 HG21 THR A 95 10.523 1.235 0.242 1.00 0.00 H new ATOM 0 HG22 THR A 95 11.696 -0.084 0.466 1.00 0.00 H new ATOM 0 HG23 THR A 95 10.080 -0.434 -0.190 1.00 0.00 H new ATOM 1474 N TYR A 96 11.973 -1.614 4.011 1.00 0.00 N ATOM 1475 CA TYR A 96 13.337 -1.887 4.537 1.00 0.00 C ATOM 1476 C TYR A 96 13.535 -3.399 4.662 1.00 0.00 C ATOM 1477 O TYR A 96 14.637 -3.904 4.590 1.00 0.00 O ATOM 1478 CB TYR A 96 13.369 -1.220 5.911 1.00 0.00 C ATOM 1479 CG TYR A 96 13.808 0.218 5.762 1.00 0.00 C ATOM 1480 CD1 TYR A 96 12.855 1.219 5.537 1.00 0.00 C ATOM 1481 CD2 TYR A 96 15.165 0.551 5.844 1.00 0.00 C ATOM 1482 CE1 TYR A 96 13.260 2.551 5.395 1.00 0.00 C ATOM 1483 CE2 TYR A 96 15.568 1.885 5.702 1.00 0.00 C ATOM 1484 CZ TYR A 96 14.616 2.884 5.477 1.00 0.00 C ATOM 1485 OH TYR A 96 15.014 4.198 5.337 1.00 0.00 O ATOM 0 H TYR A 96 11.299 -1.286 4.702 1.00 0.00 H new ATOM 0 HA TYR A 96 14.128 -1.507 3.890 1.00 0.00 H new ATOM 0 HB2 TYR A 96 12.382 -1.264 6.372 1.00 0.00 H new ATOM 0 HB3 TYR A 96 14.053 -1.754 6.571 1.00 0.00 H new ATOM 0 HD1 TYR A 96 11.808 0.963 5.473 1.00 0.00 H new ATOM 0 HD2 TYR A 96 15.901 -0.220 6.017 1.00 0.00 H new ATOM 0 HE1 TYR A 96 12.525 3.323 5.222 1.00 0.00 H new ATOM 0 HE2 TYR A 96 16.615 2.142 5.766 1.00 0.00 H new ATOM 0 HH TYR A 96 15.989 4.255 5.422 1.00 0.00 H new ATOM 1495 N ALA A 97 12.463 -4.121 4.850 1.00 0.00 N ATOM 1496 CA ALA A 97 12.565 -5.603 4.982 1.00 0.00 C ATOM 1497 C ALA A 97 12.607 -6.267 3.601 1.00 0.00 C ATOM 1498 O ALA A 97 13.149 -7.342 3.437 1.00 0.00 O ATOM 1499 CB ALA A 97 11.297 -6.015 5.731 1.00 0.00 C ATOM 0 H ALA A 97 11.517 -3.746 4.918 1.00 0.00 H new ATOM 0 HA ALA A 97 13.473 -5.907 5.503 1.00 0.00 H new ATOM 0 HB1 ALA A 97 11.292 -7.096 5.871 1.00 0.00 H new ATOM 0 HB2 ALA A 97 11.273 -5.523 6.703 1.00 0.00 H new ATOM 0 HB3 ALA A 97 10.421 -5.720 5.153 1.00 0.00 H new ATOM 1505 N LEU A 98 12.032 -5.644 2.607 1.00 0.00 N ATOM 1506 CA LEU A 98 12.037 -6.254 1.244 1.00 0.00 C ATOM 1507 C LEU A 98 13.314 -5.881 0.487 1.00 0.00 C ATOM 1508 O LEU A 98 14.158 -5.162 0.986 1.00 0.00 O ATOM 1509 CB LEU A 98 10.814 -5.667 0.541 1.00 0.00 C ATOM 1510 CG LEU A 98 10.114 -6.762 -0.263 1.00 0.00 C ATOM 1511 CD1 LEU A 98 8.948 -7.326 0.549 1.00 0.00 C ATOM 1512 CD2 LEU A 98 9.583 -6.170 -1.570 1.00 0.00 C ATOM 0 H LEU A 98 11.561 -4.742 2.679 1.00 0.00 H new ATOM 0 HA LEU A 98 12.005 -7.343 1.288 1.00 0.00 H new ATOM 0 HB2 LEU A 98 10.127 -5.244 1.275 1.00 0.00 H new ATOM 0 HB3 LEU A 98 11.116 -4.853 -0.119 1.00 0.00 H new ATOM 0 HG LEU A 98 10.822 -7.560 -0.484 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.449 -8.107 -0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.324 -7.745 1.482 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.239 -6.528 0.769 1.00 0.00 H new ATOM 0 HD21 LEU A 98 9.083 -6.949 -2.146 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.874 -5.372 -1.347 1.00 0.00 H new ATOM 0 HD23 LEU A 98 10.413 -5.766 -2.150 1.00 0.00 H new ATOM 1524 N LYS A 99 13.459 -6.364 -0.718 1.00 0.00 N ATOM 1525 CA LYS A 99 14.677 -6.039 -1.515 1.00 0.00 C ATOM 1526 C LYS A 99 14.574 -6.656 -2.914 1.00 0.00 C ATOM 1527 O LYS A 99 15.373 -7.485 -3.299 1.00 0.00 O ATOM 1528 CB LYS A 99 15.841 -6.656 -0.737 1.00 0.00 C ATOM 1529 CG LYS A 99 15.597 -8.155 -0.547 1.00 0.00 C ATOM 1530 CD LYS A 99 16.694 -8.744 0.345 1.00 0.00 C ATOM 1531 CE LYS A 99 16.415 -10.230 0.585 1.00 0.00 C ATOM 1532 NZ LYS A 99 17.553 -10.704 1.423 1.00 0.00 N ATOM 0 H LYS A 99 12.785 -6.971 -1.185 1.00 0.00 H new ATOM 0 HA LYS A 99 14.806 -4.965 -1.651 1.00 0.00 H new ATOM 0 HB2 LYS A 99 16.776 -6.495 -1.274 1.00 0.00 H new ATOM 0 HB3 LYS A 99 15.942 -6.168 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 99 14.619 -8.320 -0.095 1.00 0.00 H new ATOM 0 HG3 LYS A 99 15.591 -8.658 -1.514 1.00 0.00 H new ATOM 0 HD2 LYS A 99 17.668 -8.618 -0.127 1.00 0.00 H new ATOM 0 HD3 LYS A 99 16.729 -8.212 1.296 1.00 0.00 H new ATOM 0 HE2 LYS A 99 15.462 -10.376 1.094 1.00 0.00 H new ATOM 0 HE3 LYS A 99 16.361 -10.779 -0.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 17.434 -11.716 1.630 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 18.446 -10.559 0.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 17.575 -10.168 2.314 1.00 0.00 H new ATOM 1546 N VAL A 100 13.592 -6.254 -3.676 1.00 0.00 N ATOM 1547 CA VAL A 100 13.432 -6.813 -5.050 1.00 0.00 C ATOM 1548 C VAL A 100 13.363 -8.341 -4.995 1.00 0.00 C ATOM 1549 O VAL A 100 13.642 -9.020 -5.963 1.00 0.00 O ATOM 1550 CB VAL A 100 14.676 -6.358 -5.813 1.00 0.00 C ATOM 1551 CG1 VAL A 100 14.610 -6.879 -7.251 1.00 0.00 C ATOM 1552 CG2 VAL A 100 14.733 -4.828 -5.829 1.00 0.00 C ATOM 0 H VAL A 100 12.893 -5.562 -3.406 1.00 0.00 H new ATOM 0 HA VAL A 100 12.515 -6.472 -5.529 1.00 0.00 H new ATOM 0 HB VAL A 100 15.567 -6.751 -5.323 1.00 0.00 H new ATOM 0 HG11 VAL A 100 15.497 -6.555 -7.796 1.00 0.00 H new ATOM 0 HG12 VAL A 100 14.567 -7.968 -7.242 1.00 0.00 H new ATOM 0 HG13 VAL A 100 13.719 -6.485 -7.740 1.00 0.00 H new ATOM 0 HG21 VAL A 100 15.620 -4.503 -6.373 1.00 0.00 H new ATOM 0 HG22 VAL A 100 13.842 -4.436 -6.320 1.00 0.00 H new ATOM 0 HG23 VAL A 100 14.778 -4.455 -4.806 1.00 0.00 H new ATOM 1562 N GLY A 101 12.991 -8.886 -3.870 1.00 0.00 N ATOM 1563 CA GLY A 101 12.902 -10.369 -3.752 1.00 0.00 C ATOM 1564 C GLY A 101 11.449 -10.775 -3.500 1.00 0.00 C ATOM 1565 O GLY A 101 11.040 -11.878 -3.805 1.00 0.00 O ATOM 0 H GLY A 101 12.745 -8.368 -3.026 1.00 0.00 H new ATOM 0 HA2 GLY A 101 13.269 -10.840 -4.664 1.00 0.00 H new ATOM 0 HA3 GLY A 101 13.535 -10.718 -2.936 1.00 0.00 H new ATOM 1569 N ASP A 102 10.667 -9.891 -2.943 1.00 0.00 N ATOM 1570 CA ASP A 102 9.239 -10.222 -2.667 1.00 0.00 C ATOM 1571 C ASP A 102 8.336 -9.063 -3.097 1.00 0.00 C ATOM 1572 O ASP A 102 8.790 -8.083 -3.654 1.00 0.00 O ATOM 1573 CB ASP A 102 9.164 -10.419 -1.153 1.00 0.00 C ATOM 1574 CG ASP A 102 9.687 -11.810 -0.788 1.00 0.00 C ATOM 1575 OD1 ASP A 102 10.169 -12.493 -1.676 1.00 0.00 O ATOM 1576 OD2 ASP A 102 9.596 -12.168 0.375 1.00 0.00 O ATOM 0 H ASP A 102 10.955 -8.952 -2.667 1.00 0.00 H new ATOM 0 HA ASP A 102 8.908 -11.106 -3.212 1.00 0.00 H new ATOM 0 HB2 ASP A 102 9.753 -9.654 -0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 102 8.135 -10.306 -0.812 1.00 0.00 H new ATOM 1581 N ILE A 103 7.062 -9.165 -2.835 1.00 0.00 N ATOM 1582 CA ILE A 103 6.129 -8.067 -3.220 1.00 0.00 C ATOM 1583 C ILE A 103 5.499 -7.457 -1.966 1.00 0.00 C ATOM 1584 O ILE A 103 4.374 -6.998 -1.981 1.00 0.00 O ATOM 1585 CB ILE A 103 5.063 -8.731 -4.088 1.00 0.00 C ATOM 1586 CG1 ILE A 103 5.726 -9.313 -5.340 1.00 0.00 C ATOM 1587 CG2 ILE A 103 4.021 -7.685 -4.494 1.00 0.00 C ATOM 1588 CD1 ILE A 103 4.652 -9.791 -6.322 1.00 0.00 C ATOM 0 H ILE A 103 6.626 -9.962 -2.371 1.00 0.00 H new ATOM 0 HA ILE A 103 6.635 -7.261 -3.751 1.00 0.00 H new ATOM 0 HB ILE A 103 4.575 -9.531 -3.531 1.00 0.00 H new ATOM 0 HG12 ILE A 103 6.355 -8.559 -5.813 1.00 0.00 H new ATOM 0 HG13 ILE A 103 6.376 -10.144 -5.065 1.00 0.00 H new ATOM 0 HG21 ILE A 103 3.257 -8.154 -5.114 1.00 0.00 H new ATOM 0 HG22 ILE A 103 3.557 -7.268 -3.600 1.00 0.00 H new ATOM 0 HG23 ILE A 103 4.506 -6.888 -5.057 1.00 0.00 H new ATOM 0 HD11 ILE A 103 5.129 -10.204 -7.211 1.00 0.00 H new ATOM 0 HD12 ILE A 103 4.041 -10.559 -5.848 1.00 0.00 H new ATOM 0 HD13 ILE A 103 4.020 -8.950 -6.607 1.00 0.00 H new ATOM 1600 N SER A 104 6.221 -7.451 -0.881 1.00 0.00 N ATOM 1601 CA SER A 104 5.678 -6.874 0.382 1.00 0.00 C ATOM 1602 C SER A 104 4.366 -7.565 0.767 1.00 0.00 C ATOM 1603 O SER A 104 3.325 -7.301 0.199 1.00 0.00 O ATOM 1604 CB SER A 104 5.437 -5.397 0.070 1.00 0.00 C ATOM 1605 OG SER A 104 4.633 -4.827 1.094 1.00 0.00 O ATOM 0 H SER A 104 7.169 -7.822 -0.813 1.00 0.00 H new ATOM 0 HA SER A 104 6.360 -7.008 1.222 1.00 0.00 H new ATOM 0 HB2 SER A 104 6.388 -4.868 0.001 1.00 0.00 H new ATOM 0 HB3 SER A 104 4.943 -5.293 -0.896 1.00 0.00 H new ATOM 0 HG SER A 104 5.173 -4.207 1.627 1.00 0.00 H new ATOM 1611 N ASP A 105 4.408 -8.446 1.730 1.00 0.00 N ATOM 1612 CA ASP A 105 3.162 -9.150 2.151 1.00 0.00 C ATOM 1613 C ASP A 105 2.075 -8.131 2.507 1.00 0.00 C ATOM 1614 O ASP A 105 2.222 -6.948 2.275 1.00 0.00 O ATOM 1615 CB ASP A 105 3.561 -9.959 3.386 1.00 0.00 C ATOM 1616 CG ASP A 105 4.374 -9.076 4.332 1.00 0.00 C ATOM 1617 OD1 ASP A 105 4.139 -7.878 4.342 1.00 0.00 O ATOM 1618 OD2 ASP A 105 5.218 -9.611 5.032 1.00 0.00 O ATOM 0 H ASP A 105 5.250 -8.709 2.243 1.00 0.00 H new ATOM 0 HA ASP A 105 2.759 -9.784 1.361 1.00 0.00 H new ATOM 0 HB2 ASP A 105 2.671 -10.331 3.893 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.147 -10.829 3.090 1.00 0.00 H new ATOM 1623 N ILE A 106 0.983 -8.581 3.065 1.00 0.00 N ATOM 1624 CA ILE A 106 -0.111 -7.632 3.429 1.00 0.00 C ATOM 1625 C ILE A 106 0.415 -6.541 4.366 1.00 0.00 C ATOM 1626 O ILE A 106 0.648 -6.772 5.536 1.00 0.00 O ATOM 1627 CB ILE A 106 -1.169 -8.478 4.141 1.00 0.00 C ATOM 1628 CG1 ILE A 106 -0.475 -9.439 5.134 1.00 0.00 C ATOM 1629 CG2 ILE A 106 -1.989 -9.249 3.098 1.00 0.00 C ATOM 1630 CD1 ILE A 106 -0.572 -10.899 4.665 1.00 0.00 C ATOM 0 H ILE A 106 0.801 -9.560 3.284 1.00 0.00 H new ATOM 0 HA ILE A 106 -0.517 -7.130 2.550 1.00 0.00 H new ATOM 0 HB ILE A 106 -1.848 -7.838 4.704 1.00 0.00 H new ATOM 0 HG12 ILE A 106 0.573 -9.159 5.241 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -0.933 -9.341 6.118 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -2.744 -9.853 3.602 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -2.478 -8.544 2.426 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -1.329 -9.899 2.524 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -0.074 -11.547 5.386 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -1.620 -11.186 4.583 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -0.091 -11.001 3.692 1.00 0.00 H new ATOM 1642 N VAL A 107 0.596 -5.351 3.861 1.00 0.00 N ATOM 1643 CA VAL A 107 1.097 -4.242 4.725 1.00 0.00 C ATOM 1644 C VAL A 107 -0.076 -3.595 5.465 1.00 0.00 C ATOM 1645 O VAL A 107 -0.585 -2.565 5.069 1.00 0.00 O ATOM 1646 CB VAL A 107 1.745 -3.250 3.758 1.00 0.00 C ATOM 1647 CG1 VAL A 107 2.447 -2.144 4.547 1.00 0.00 C ATOM 1648 CG2 VAL A 107 2.773 -3.982 2.892 1.00 0.00 C ATOM 0 H VAL A 107 0.419 -5.098 2.889 1.00 0.00 H new ATOM 0 HA VAL A 107 1.803 -4.584 5.482 1.00 0.00 H new ATOM 0 HB VAL A 107 0.975 -2.810 3.124 1.00 0.00 H new ATOM 0 HG11 VAL A 107 2.907 -1.439 3.855 1.00 0.00 H new ATOM 0 HG12 VAL A 107 1.719 -1.621 5.167 1.00 0.00 H new ATOM 0 HG13 VAL A 107 3.216 -2.583 5.183 1.00 0.00 H new ATOM 0 HG21 VAL A 107 3.236 -3.276 2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 107 3.540 -4.421 3.530 1.00 0.00 H new ATOM 0 HG23 VAL A 107 2.277 -4.770 2.326 1.00 0.00 H new ATOM 1658 N ASP A 108 -0.518 -4.203 6.533 1.00 0.00 N ATOM 1659 CA ASP A 108 -1.668 -3.636 7.296 1.00 0.00 C ATOM 1660 C ASP A 108 -1.184 -2.681 8.391 1.00 0.00 C ATOM 1661 O ASP A 108 -0.591 -3.091 9.370 1.00 0.00 O ATOM 1662 CB ASP A 108 -2.365 -4.848 7.915 1.00 0.00 C ATOM 1663 CG ASP A 108 -1.344 -5.689 8.683 1.00 0.00 C ATOM 1664 OD1 ASP A 108 -0.366 -6.095 8.077 1.00 0.00 O ATOM 1665 OD2 ASP A 108 -1.557 -5.912 9.863 1.00 0.00 O ATOM 0 H ASP A 108 -0.132 -5.068 6.911 1.00 0.00 H new ATOM 0 HA ASP A 108 -2.333 -3.057 6.655 1.00 0.00 H new ATOM 0 HB2 ASP A 108 -3.160 -4.520 8.585 1.00 0.00 H new ATOM 0 HB3 ASP A 108 -2.833 -5.449 7.135 1.00 0.00 H new ATOM 1670 N THR A 109 -1.449 -1.412 8.239 1.00 0.00 N ATOM 1671 CA THR A 109 -1.027 -0.425 9.276 1.00 0.00 C ATOM 1672 C THR A 109 -1.735 0.913 9.040 1.00 0.00 C ATOM 1673 O THR A 109 -2.902 0.947 8.702 1.00 0.00 O ATOM 1674 CB THR A 109 0.497 -0.289 9.130 1.00 0.00 C ATOM 1675 OG1 THR A 109 1.027 0.364 10.279 1.00 0.00 O ATOM 1676 CG2 THR A 109 0.847 0.525 7.881 1.00 0.00 C ATOM 0 H THR A 109 -1.941 -1.014 7.439 1.00 0.00 H new ATOM 0 HA THR A 109 -1.290 -0.746 10.284 1.00 0.00 H new ATOM 0 HB THR A 109 0.929 -1.285 9.035 1.00 0.00 H new ATOM 0 HG1 THR A 109 0.962 -0.233 11.053 1.00 0.00 H new ATOM 0 HG21 THR A 109 1.930 0.611 7.794 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.451 0.024 6.998 1.00 0.00 H new ATOM 0 HG23 THR A 109 0.410 1.520 7.961 1.00 0.00 H new ATOM 1684 N ASP A 110 -1.048 2.010 9.222 1.00 0.00 N ATOM 1685 CA ASP A 110 -1.691 3.345 9.014 1.00 0.00 C ATOM 1686 C ASP A 110 -2.653 3.301 7.821 1.00 0.00 C ATOM 1687 O ASP A 110 -2.443 2.569 6.875 1.00 0.00 O ATOM 1688 CB ASP A 110 -0.532 4.302 8.734 1.00 0.00 C ATOM 1689 CG ASP A 110 -0.819 5.659 9.378 1.00 0.00 C ATOM 1690 OD1 ASP A 110 -1.978 5.935 9.640 1.00 0.00 O ATOM 1691 OD2 ASP A 110 0.125 6.400 9.598 1.00 0.00 O ATOM 0 H ASP A 110 -0.069 2.041 9.506 1.00 0.00 H new ATOM 0 HA ASP A 110 -2.280 3.655 9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.396 3.890 9.129 1.00 0.00 H new ATOM 0 HB3 ASP A 110 -0.396 4.420 7.659 1.00 0.00 H new ATOM 1696 N SER A 111 -3.709 4.073 7.866 1.00 0.00 N ATOM 1697 CA SER A 111 -4.699 4.082 6.742 1.00 0.00 C ATOM 1698 C SER A 111 -5.411 2.732 6.633 1.00 0.00 C ATOM 1699 O SER A 111 -6.623 2.654 6.674 1.00 0.00 O ATOM 1700 CB SER A 111 -3.883 4.362 5.477 1.00 0.00 C ATOM 1701 OG SER A 111 -3.047 5.495 5.689 1.00 0.00 O ATOM 0 H SER A 111 -3.931 4.702 8.638 1.00 0.00 H new ATOM 0 HA SER A 111 -5.474 4.832 6.898 1.00 0.00 H new ATOM 0 HB2 SER A 111 -3.277 3.492 5.223 1.00 0.00 H new ATOM 0 HB3 SER A 111 -4.550 4.542 4.634 1.00 0.00 H new ATOM 0 HG SER A 111 -2.524 5.672 4.879 1.00 0.00 H new ATOM 1707 N GLY A 112 -4.670 1.672 6.487 1.00 0.00 N ATOM 1708 CA GLY A 112 -5.300 0.328 6.368 1.00 0.00 C ATOM 1709 C GLY A 112 -4.261 -0.669 5.859 1.00 0.00 C ATOM 1710 O GLY A 112 -3.153 -0.731 6.354 1.00 0.00 O ATOM 0 H GLY A 112 -3.651 1.677 6.445 1.00 0.00 H new ATOM 0 HA2 GLY A 112 -5.686 0.007 7.335 1.00 0.00 H new ATOM 0 HA3 GLY A 112 -6.148 0.370 5.684 1.00 0.00 H new ATOM 1714 N VAL A 113 -4.601 -1.445 4.869 1.00 0.00 N ATOM 1715 CA VAL A 113 -3.620 -2.427 4.329 1.00 0.00 C ATOM 1716 C VAL A 113 -3.093 -1.943 2.980 1.00 0.00 C ATOM 1717 O VAL A 113 -3.847 -1.605 2.089 1.00 0.00 O ATOM 1718 CB VAL A 113 -4.395 -3.734 4.181 1.00 0.00 C ATOM 1719 CG1 VAL A 113 -5.126 -4.048 5.488 1.00 0.00 C ATOM 1720 CG2 VAL A 113 -5.413 -3.591 3.055 1.00 0.00 C ATOM 0 H VAL A 113 -5.513 -1.442 4.411 1.00 0.00 H new ATOM 0 HA VAL A 113 -2.755 -2.554 4.980 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.702 -4.543 3.950 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.679 -4.981 5.381 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.401 -4.147 6.296 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.820 -3.240 5.720 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -5.968 -4.523 2.946 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -6.104 -2.782 3.290 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -4.895 -3.366 2.123 1.00 0.00 H new ATOM 1730 N HIS A 114 -1.799 -1.890 2.832 1.00 0.00 N ATOM 1731 CA HIS A 114 -1.216 -1.409 1.550 1.00 0.00 C ATOM 1732 C HIS A 114 -0.375 -2.507 0.891 1.00 0.00 C ATOM 1733 O HIS A 114 -0.236 -3.597 1.409 1.00 0.00 O ATOM 1734 CB HIS A 114 -0.322 -0.231 1.946 1.00 0.00 C ATOM 1735 CG HIS A 114 -1.063 0.700 2.865 1.00 0.00 C ATOM 1736 ND1 HIS A 114 -1.138 2.063 2.626 1.00 0.00 N ATOM 1737 CD2 HIS A 114 -1.746 0.486 4.035 1.00 0.00 C ATOM 1738 CE1 HIS A 114 -1.845 2.612 3.630 1.00 0.00 C ATOM 1739 NE2 HIS A 114 -2.240 1.695 4.516 1.00 0.00 N ATOM 0 H HIS A 114 -1.120 -2.159 3.544 1.00 0.00 H new ATOM 0 HA HIS A 114 -1.987 -1.128 0.832 1.00 0.00 H new ATOM 0 HB2 HIS A 114 0.579 -0.598 2.438 1.00 0.00 H new ATOM 0 HB3 HIS A 114 -0.001 0.307 1.054 1.00 0.00 H new ATOM 0 HD1 HIS A 114 -0.731 2.559 1.833 1.00 0.00 H new ATOM 0 HD2 HIS A 114 -1.880 -0.474 4.511 1.00 0.00 H new ATOM 0 HE1 HIS A 114 -2.066 3.666 3.710 1.00 0.00 H new ATOM 1747 N ILE A 115 0.196 -2.214 -0.246 1.00 0.00 N ATOM 1748 CA ILE A 115 1.048 -3.220 -0.949 1.00 0.00 C ATOM 1749 C ILE A 115 2.239 -2.487 -1.587 1.00 0.00 C ATOM 1750 O ILE A 115 2.093 -1.753 -2.545 1.00 0.00 O ATOM 1751 CB ILE A 115 0.137 -3.922 -2.002 1.00 0.00 C ATOM 1752 CG1 ILE A 115 0.596 -3.611 -3.435 1.00 0.00 C ATOM 1753 CG2 ILE A 115 -1.322 -3.475 -1.849 1.00 0.00 C ATOM 1754 CD1 ILE A 115 -0.253 -4.411 -4.425 1.00 0.00 C ATOM 0 H ILE A 115 0.109 -1.316 -0.722 1.00 0.00 H new ATOM 0 HA ILE A 115 1.458 -3.976 -0.280 1.00 0.00 H new ATOM 0 HB ILE A 115 0.215 -4.994 -1.823 1.00 0.00 H new ATOM 0 HG12 ILE A 115 0.500 -2.544 -3.636 1.00 0.00 H new ATOM 0 HG13 ILE A 115 1.649 -3.864 -3.554 1.00 0.00 H new ATOM 0 HG21 ILE A 115 -1.937 -3.979 -2.595 1.00 0.00 H new ATOM 0 HG22 ILE A 115 -1.678 -3.732 -0.851 1.00 0.00 H new ATOM 0 HG23 ILE A 115 -1.389 -2.396 -1.992 1.00 0.00 H new ATOM 0 HD11 ILE A 115 0.071 -4.192 -5.442 1.00 0.00 H new ATOM 0 HD12 ILE A 115 -0.134 -5.476 -4.228 1.00 0.00 H new ATOM 0 HD13 ILE A 115 -1.301 -4.135 -4.311 1.00 0.00 H new ATOM 1766 N ILE A 116 3.410 -2.659 -1.040 1.00 0.00 N ATOM 1767 CA ILE A 116 4.605 -1.953 -1.589 1.00 0.00 C ATOM 1768 C ILE A 116 5.318 -2.817 -2.632 1.00 0.00 C ATOM 1769 O ILE A 116 5.342 -4.028 -2.540 1.00 0.00 O ATOM 1770 CB ILE A 116 5.508 -1.725 -0.377 1.00 0.00 C ATOM 1771 CG1 ILE A 116 4.877 -0.675 0.541 1.00 0.00 C ATOM 1772 CG2 ILE A 116 6.879 -1.235 -0.845 1.00 0.00 C ATOM 1773 CD1 ILE A 116 4.675 -1.275 1.934 1.00 0.00 C ATOM 0 H ILE A 116 3.593 -3.259 -0.235 1.00 0.00 H new ATOM 0 HA ILE A 116 4.337 -1.023 -2.091 1.00 0.00 H new ATOM 0 HB ILE A 116 5.624 -2.661 0.168 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.518 0.204 0.601 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.922 -0.346 0.133 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.522 -1.073 0.020 1.00 0.00 H new ATOM 0 HG22 ILE A 116 7.330 -1.983 -1.497 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.764 -0.299 -1.392 1.00 0.00 H new ATOM 0 HD11 ILE A 116 4.226 -0.529 2.590 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.017 -2.141 1.865 1.00 0.00 H new ATOM 0 HD13 ILE A 116 5.638 -1.583 2.341 1.00 0.00 H new ATOM 1785 N LYS A 117 5.907 -2.199 -3.622 1.00 0.00 N ATOM 1786 CA LYS A 117 6.628 -2.984 -4.669 1.00 0.00 C ATOM 1787 C LYS A 117 7.927 -2.274 -5.063 1.00 0.00 C ATOM 1788 O LYS A 117 7.918 -1.297 -5.786 1.00 0.00 O ATOM 1789 CB LYS A 117 5.668 -3.049 -5.858 1.00 0.00 C ATOM 1790 CG LYS A 117 5.613 -4.485 -6.387 1.00 0.00 C ATOM 1791 CD LYS A 117 5.098 -4.486 -7.828 1.00 0.00 C ATOM 1792 CE LYS A 117 6.179 -3.934 -8.761 1.00 0.00 C ATOM 1793 NZ LYS A 117 5.430 -3.268 -9.864 1.00 0.00 N ATOM 0 H LYS A 117 5.920 -1.187 -3.751 1.00 0.00 H new ATOM 0 HA LYS A 117 6.904 -3.979 -4.318 1.00 0.00 H new ATOM 0 HB2 LYS A 117 4.673 -2.723 -5.555 1.00 0.00 H new ATOM 0 HB3 LYS A 117 6.000 -2.372 -6.645 1.00 0.00 H new ATOM 0 HG2 LYS A 117 6.604 -4.936 -6.345 1.00 0.00 H new ATOM 0 HG3 LYS A 117 4.960 -5.090 -5.757 1.00 0.00 H new ATOM 0 HD2 LYS A 117 4.828 -5.499 -8.127 1.00 0.00 H new ATOM 0 HD3 LYS A 117 4.195 -3.880 -7.902 1.00 0.00 H new ATOM 0 HE2 LYS A 117 6.827 -3.228 -8.241 1.00 0.00 H new ATOM 0 HE3 LYS A 117 6.817 -4.731 -9.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 6.103 -2.864 -10.546 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 4.827 -3.966 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 4.837 -2.509 -9.472 1.00 0.00 H new ATOM 1807 N ARG A 118 9.045 -2.760 -4.594 1.00 0.00 N ATOM 1808 CA ARG A 118 10.345 -2.116 -4.942 1.00 0.00 C ATOM 1809 C ARG A 118 11.091 -2.958 -5.983 1.00 0.00 C ATOM 1810 O ARG A 118 11.699 -3.961 -5.665 1.00 0.00 O ATOM 1811 CB ARG A 118 11.123 -2.065 -3.622 1.00 0.00 C ATOM 1812 CG ARG A 118 12.620 -1.887 -3.903 1.00 0.00 C ATOM 1813 CD ARG A 118 12.873 -0.497 -4.496 1.00 0.00 C ATOM 1814 NE ARG A 118 14.351 -0.322 -4.438 1.00 0.00 N ATOM 1815 CZ ARG A 118 14.913 0.698 -5.030 1.00 0.00 C ATOM 1816 NH1 ARG A 118 14.240 1.402 -5.897 1.00 0.00 N ATOM 1817 NH2 ARG A 118 16.149 1.011 -4.754 1.00 0.00 N ATOM 0 H ARG A 118 9.114 -3.575 -3.985 1.00 0.00 H new ATOM 0 HA ARG A 118 10.216 -1.125 -5.376 1.00 0.00 H new ATOM 0 HB2 ARG A 118 10.759 -1.241 -3.007 1.00 0.00 H new ATOM 0 HB3 ARG A 118 10.957 -2.982 -3.057 1.00 0.00 H new ATOM 0 HG2 ARG A 118 13.190 -2.009 -2.982 1.00 0.00 H new ATOM 0 HG3 ARG A 118 12.964 -2.656 -4.595 1.00 0.00 H new ATOM 0 HD2 ARG A 118 12.507 -0.431 -5.521 1.00 0.00 H new ATOM 0 HD3 ARG A 118 12.360 0.276 -3.924 1.00 0.00 H new ATOM 0 HE ARG A 118 14.925 -0.999 -3.936 1.00 0.00 H new ATOM 0 HH11 ARG A 118 13.274 1.156 -6.113 1.00 0.00 H new ATOM 0 HH12 ARG A 118 14.680 2.198 -6.359 1.00 0.00 H new ATOM 0 HH21 ARG A 118 16.676 0.460 -4.077 1.00 0.00 H new ATOM 0 HH22 ARG A 118 16.589 1.807 -5.216 1.00 0.00 H new ATOM 1831 N THR A 119 11.052 -2.553 -7.224 1.00 0.00 N ATOM 1832 CA THR A 119 11.761 -3.322 -8.290 1.00 0.00 C ATOM 1833 C THR A 119 11.578 -4.827 -8.081 1.00 0.00 C ATOM 1834 O THR A 119 12.434 -5.619 -8.426 1.00 0.00 O ATOM 1835 CB THR A 119 13.234 -2.938 -8.143 1.00 0.00 C ATOM 1836 OG1 THR A 119 13.526 -2.700 -6.773 1.00 0.00 O ATOM 1837 CG2 THR A 119 13.517 -1.674 -8.954 1.00 0.00 C ATOM 0 H THR A 119 10.559 -1.721 -7.547 1.00 0.00 H new ATOM 0 HA THR A 119 11.374 -3.094 -9.283 1.00 0.00 H new ATOM 0 HB THR A 119 13.860 -3.751 -8.512 1.00 0.00 H new ATOM 0 HG1 THR A 119 14.453 -2.394 -6.684 1.00 0.00 H new ATOM 0 HG21 THR A 119 14.567 -1.401 -8.848 1.00 0.00 H new ATOM 0 HG22 THR A 119 13.294 -1.858 -10.005 1.00 0.00 H new ATOM 0 HG23 THR A 119 12.892 -0.859 -8.588 1.00 0.00 H new ATOM 1845 N ALA A 120 10.471 -5.231 -7.523 1.00 0.00 N ATOM 1846 CA ALA A 120 10.241 -6.686 -7.300 1.00 0.00 C ATOM 1847 C ALA A 120 9.002 -7.149 -8.069 1.00 0.00 C ATOM 1848 O ALA A 120 7.946 -6.579 -7.852 1.00 0.00 O ATOM 1849 CB ALA A 120 10.022 -6.828 -5.794 1.00 0.00 C ATOM 1850 OXT ALA A 120 9.132 -8.065 -8.865 1.00 0.00 O ATOM 0 H ALA A 120 9.717 -4.618 -7.212 1.00 0.00 H new ATOM 0 HA ALA A 120 11.076 -7.294 -7.648 1.00 0.00 H new ATOM 0 HB1 ALA A 120 9.845 -7.875 -5.549 1.00 0.00 H new ATOM 0 HB2 ALA A 120 10.906 -6.475 -5.263 1.00 0.00 H new ATOM 0 HB3 ALA A 120 9.158 -6.235 -5.494 1.00 0.00 H new