USER MOD reduce.3.24.130724 H: found=0, std=0, add=718, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 720 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 52 ASN : amide:sc= -3.34 X(o=-3.4,f=-3) USER MOD Set 1.2: A 66 GLN : amide:sc= -0.066 X(o=-3.4,f=-3.3) USER MOD Set 2.1: A 34 LYS NZ :NH3+ -143:sc=-0.00682 (180deg=0) USER MOD Set 2.2: A 70 GLN : amide:sc= -14.4! C(o=-14!,f=-26!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 21 ASN : amide:sc= -0.296 X(o=-0.3,f=-0.7) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc= -0.422 K(o=-0.42,f=-4!) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 33:sc= 0.161 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= 0 X(o=0,f=-0.015) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 56 HIS :FLIP no HE2:sc= -1.52 F(o=-2.5!,f=-1.5) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 HIS : no HE2:sc= 0.132 K(o=0.13,f=-0.59) USER MOD Single : A 69 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0599) USER MOD Single : A 71 THR OG1 : rot 180:sc= 0.0134 USER MOD Single : A 73 ASN :FLIP amide:sc=-0.00668 F(o=-0.72,f=-0.0067) USER MOD Single : A 75 SER OG : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.0898 K(o=-0.09,f=-0.87) USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 82 TYR OH : rot 150:sc= 0.585 USER MOD Single : A 85 LYS NZ :NH3+ -138:sc= -3.3 (180deg=-6.12!) USER MOD Single : A 87 THR OG1 : rot -96:sc= 1.11 USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= -1.95! USER MOD Single : A 92 ASN : amide:sc= 0 X(o=0,f=-0.043) USER MOD Single : A 100 ASN : amide:sc= -1.94! C(o=-1.9!,f=-8.4!) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 158:sc= -0.0476 (180deg=-0.271) USER MOD ----------------------------------------------------------------- ATOM 118 N VAL A 11 -21.163 2.749 7.570 1.00 0.00 N ATOM 119 CA VAL A 11 -20.377 2.469 6.374 1.00 0.00 C ATOM 120 C VAL A 11 -20.189 0.969 6.179 1.00 0.00 C ATOM 121 O VAL A 11 -20.386 0.181 7.105 1.00 0.00 O ATOM 122 CB VAL A 11 -18.994 3.145 6.441 1.00 0.00 C ATOM 123 CG1 VAL A 11 -19.133 4.608 6.831 1.00 0.00 C ATOM 124 CG2 VAL A 11 -18.088 2.408 7.415 1.00 0.00 C ATOM 0 HA VAL A 11 -20.931 2.875 5.528 1.00 0.00 H new ATOM 0 HB VAL A 11 -18.538 3.100 5.452 1.00 0.00 H new ATOM 0 HG11 VAL A 11 -18.146 5.069 6.873 1.00 0.00 H new ATOM 0 HG12 VAL A 11 -19.744 5.125 6.091 1.00 0.00 H new ATOM 0 HG13 VAL A 11 -19.609 4.680 7.809 1.00 0.00 H new ATOM 0 HG21 VAL A 11 -17.115 2.899 7.450 1.00 0.00 H new ATOM 0 HG22 VAL A 11 -18.536 2.419 8.409 1.00 0.00 H new ATOM 0 HG23 VAL A 11 -17.962 1.377 7.086 1.00 0.00 H new ATOM 134 N LYS A 12 -19.805 0.579 4.968 1.00 0.00 N ATOM 135 CA LYS A 12 -19.588 -0.827 4.650 1.00 0.00 C ATOM 136 C LYS A 12 -18.159 -1.246 4.983 1.00 0.00 C ATOM 137 O LYS A 12 -17.227 -0.451 4.867 1.00 0.00 O ATOM 138 CB LYS A 12 -19.874 -1.086 3.169 1.00 0.00 C ATOM 139 CG LYS A 12 -21.341 -1.337 2.868 1.00 0.00 C ATOM 140 CD LYS A 12 -21.672 -1.033 1.416 1.00 0.00 C ATOM 141 CE LYS A 12 -21.430 -2.241 0.525 1.00 0.00 C ATOM 142 NZ LYS A 12 -21.373 -1.865 -0.915 1.00 0.00 N ATOM 0 H LYS A 12 -19.638 1.218 4.190 1.00 0.00 H new ATOM 0 HA LYS A 12 -20.273 -1.421 5.256 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -19.534 -0.230 2.587 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -19.292 -1.947 2.840 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -21.586 -2.376 3.088 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -21.958 -0.719 3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -22.714 -0.724 1.336 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -21.064 -0.197 1.070 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -20.495 -2.723 0.812 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -22.225 -2.971 0.679 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -21.207 -2.716 -1.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -22.274 -1.428 -1.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -20.598 -1.188 -1.067 1.00 0.00 H new ATOM 156 N GLU A 13 -17.996 -2.499 5.397 1.00 0.00 N ATOM 157 CA GLU A 13 -16.680 -3.022 5.746 1.00 0.00 C ATOM 158 C GLU A 13 -15.998 -3.637 4.527 1.00 0.00 C ATOM 159 O GLU A 13 -16.322 -4.753 4.119 1.00 0.00 O ATOM 160 CB GLU A 13 -16.800 -4.065 6.858 1.00 0.00 C ATOM 161 CG GLU A 13 -17.372 -3.512 8.153 1.00 0.00 C ATOM 162 CD GLU A 13 -17.752 -4.602 9.136 1.00 0.00 C ATOM 163 OE1 GLU A 13 -16.836 -5.228 9.710 1.00 0.00 O ATOM 164 OE2 GLU A 13 -18.964 -4.830 9.331 1.00 0.00 O ATOM 0 H GLU A 13 -18.758 -3.170 5.499 1.00 0.00 H new ATOM 0 HA GLU A 13 -16.070 -2.192 6.101 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -17.432 -4.882 6.511 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -15.815 -4.487 7.057 1.00 0.00 H new ATOM 0 HG2 GLU A 13 -16.640 -2.850 8.616 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -18.251 -2.908 7.929 1.00 0.00 H new ATOM 171 N LEU A 14 -15.054 -2.902 3.951 1.00 0.00 N ATOM 172 CA LEU A 14 -14.326 -3.375 2.778 1.00 0.00 C ATOM 173 C LEU A 14 -13.074 -4.144 3.188 1.00 0.00 C ATOM 174 O LEU A 14 -12.570 -3.986 4.301 1.00 0.00 O ATOM 175 CB LEU A 14 -13.942 -2.195 1.883 1.00 0.00 C ATOM 176 CG LEU A 14 -15.037 -1.157 1.635 1.00 0.00 C ATOM 177 CD1 LEU A 14 -14.449 0.103 1.019 1.00 0.00 C ATOM 178 CD2 LEU A 14 -16.125 -1.732 0.740 1.00 0.00 C ATOM 0 H LEU A 14 -14.774 -1.977 4.276 1.00 0.00 H new ATOM 0 HA LEU A 14 -14.979 -4.049 2.223 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -13.085 -1.690 2.329 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -13.615 -2.587 0.920 1.00 0.00 H new ATOM 0 HG LEU A 14 -15.484 -0.894 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -15.243 0.830 0.850 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.707 0.527 1.696 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -13.974 -0.144 0.069 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -16.896 -0.979 0.575 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -15.692 -2.025 -0.217 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -16.568 -2.605 1.220 1.00 0.00 H new ATOM 190 N THR A 15 -12.575 -4.978 2.281 1.00 0.00 N ATOM 191 CA THR A 15 -11.382 -5.772 2.547 1.00 0.00 C ATOM 192 C THR A 15 -10.190 -5.258 1.748 1.00 0.00 C ATOM 193 O THR A 15 -10.030 -5.585 0.572 1.00 0.00 O ATOM 194 CB THR A 15 -11.609 -7.258 2.210 1.00 0.00 C ATOM 195 OG1 THR A 15 -12.685 -7.780 2.997 1.00 0.00 O ATOM 196 CG2 THR A 15 -10.348 -8.069 2.464 1.00 0.00 C ATOM 0 H THR A 15 -12.979 -5.121 1.355 1.00 0.00 H new ATOM 0 HA THR A 15 -11.170 -5.677 3.612 1.00 0.00 H new ATOM 0 HB THR A 15 -11.863 -7.333 1.153 1.00 0.00 H new ATOM 0 HG1 THR A 15 -12.824 -8.724 2.776 1.00 0.00 H new ATOM 0 HG21 THR A 15 -10.533 -9.115 2.219 1.00 0.00 H new ATOM 0 HG22 THR A 15 -9.539 -7.688 1.841 1.00 0.00 H new ATOM 0 HG23 THR A 15 -10.068 -7.986 3.514 1.00 0.00 H new ATOM 204 N VAL A 16 -9.354 -4.451 2.394 1.00 0.00 N ATOM 205 CA VAL A 16 -8.174 -3.893 1.743 1.00 0.00 C ATOM 206 C VAL A 16 -6.975 -4.822 1.889 1.00 0.00 C ATOM 207 O VAL A 16 -6.681 -5.307 2.981 1.00 0.00 O ATOM 208 CB VAL A 16 -7.814 -2.512 2.324 1.00 0.00 C ATOM 209 CG1 VAL A 16 -6.627 -1.915 1.584 1.00 0.00 C ATOM 210 CG2 VAL A 16 -9.014 -1.580 2.265 1.00 0.00 C ATOM 0 H VAL A 16 -9.472 -4.169 3.367 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.417 -3.783 0.686 1.00 0.00 H new ATOM 0 HB VAL A 16 -7.533 -2.639 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.387 -0.940 2.008 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.766 -2.576 1.684 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -6.876 -1.801 0.529 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -8.742 -0.609 2.679 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -9.328 -1.457 1.229 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -9.834 -2.005 2.845 1.00 0.00 H new ATOM 220 N SER A 17 -6.285 -5.066 0.779 1.00 0.00 N ATOM 221 CA SER A 17 -5.118 -5.941 0.782 1.00 0.00 C ATOM 222 C SER A 17 -4.141 -5.547 -0.322 1.00 0.00 C ATOM 223 O SER A 17 -4.521 -5.418 -1.485 1.00 0.00 O ATOM 224 CB SER A 17 -5.547 -7.399 0.602 1.00 0.00 C ATOM 225 OG SER A 17 -4.645 -8.279 1.251 1.00 0.00 O ATOM 0 H SER A 17 -6.514 -4.670 -0.133 1.00 0.00 H new ATOM 0 HA SER A 17 -4.616 -5.833 1.744 1.00 0.00 H new ATOM 0 HB2 SER A 17 -6.550 -7.539 1.005 1.00 0.00 H new ATOM 0 HB3 SER A 17 -5.594 -7.639 -0.460 1.00 0.00 H new ATOM 0 HG SER A 17 -4.942 -9.204 1.123 1.00 0.00 H new ATOM 231 N ALA A 18 -2.880 -5.357 0.053 1.00 0.00 N ATOM 232 CA ALA A 18 -1.847 -4.979 -0.904 1.00 0.00 C ATOM 233 C ALA A 18 -1.411 -6.176 -1.742 1.00 0.00 C ATOM 234 O ALA A 18 -1.134 -6.044 -2.933 1.00 0.00 O ATOM 235 CB ALA A 18 -0.653 -4.376 -0.180 1.00 0.00 C ATOM 0 H ALA A 18 -2.549 -5.459 1.013 1.00 0.00 H new ATOM 0 HA ALA A 18 -2.266 -4.231 -1.577 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.111 -4.098 -0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -0.970 -3.490 0.370 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -0.243 -5.107 0.516 1.00 0.00 H new ATOM 241 N GLY A 19 -1.352 -7.345 -1.111 1.00 0.00 N ATOM 242 CA GLY A 19 -0.948 -8.548 -1.814 1.00 0.00 C ATOM 243 C GLY A 19 -0.186 -9.511 -0.925 1.00 0.00 C ATOM 244 O GLY A 19 -0.746 -10.494 -0.440 1.00 0.00 O ATOM 0 H GLY A 19 -1.577 -7.480 -0.125 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -1.832 -9.047 -2.211 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -0.326 -8.275 -2.666 1.00 0.00 H new ATOM 248 N ASP A 20 1.095 -9.230 -0.713 1.00 0.00 N ATOM 249 CA ASP A 20 1.935 -10.079 0.123 1.00 0.00 C ATOM 250 C ASP A 20 3.261 -9.392 0.436 1.00 0.00 C ATOM 251 O ASP A 20 3.599 -8.372 -0.163 1.00 0.00 O ATOM 252 CB ASP A 20 2.191 -11.419 -0.568 1.00 0.00 C ATOM 253 CG ASP A 20 2.914 -12.405 0.328 1.00 0.00 C ATOM 254 OD1 ASP A 20 2.243 -13.056 1.156 1.00 0.00 O ATOM 255 OD2 ASP A 20 4.151 -12.525 0.203 1.00 0.00 O ATOM 0 H ASP A 20 1.574 -8.421 -1.109 1.00 0.00 H new ATOM 0 HA ASP A 20 1.409 -10.258 1.061 1.00 0.00 H new ATOM 0 HB2 ASP A 20 1.240 -11.849 -0.883 1.00 0.00 H new ATOM 0 HB3 ASP A 20 2.780 -11.252 -1.470 1.00 0.00 H new ATOM 260 N ASN A 21 4.008 -9.959 1.378 1.00 0.00 N ATOM 261 CA ASN A 21 5.296 -9.400 1.771 1.00 0.00 C ATOM 262 C ASN A 21 6.278 -9.424 0.604 1.00 0.00 C ATOM 263 O ASN A 21 6.426 -10.440 -0.077 1.00 0.00 O ATOM 264 CB ASN A 21 5.874 -10.180 2.954 1.00 0.00 C ATOM 265 CG ASN A 21 6.444 -11.523 2.539 1.00 0.00 C ATOM 266 OD1 ASN A 21 7.600 -11.619 2.129 1.00 0.00 O ATOM 267 ND2 ASN A 21 5.631 -12.568 2.645 1.00 0.00 N ATOM 0 H ASN A 21 3.743 -10.805 1.883 1.00 0.00 H new ATOM 0 HA ASN A 21 5.139 -8.364 2.069 1.00 0.00 H new ATOM 0 HB2 ASN A 21 6.656 -9.588 3.429 1.00 0.00 H new ATOM 0 HB3 ASN A 21 5.094 -10.334 3.700 1.00 0.00 H new ATOM 0 HD21 ASN A 21 5.958 -13.497 2.381 1.00 0.00 H new ATOM 0 HD22 ASN A 21 4.680 -12.441 2.990 1.00 0.00 H new ATOM 274 N LEU A 22 6.949 -8.300 0.379 1.00 0.00 N ATOM 275 CA LEU A 22 7.918 -8.191 -0.706 1.00 0.00 C ATOM 276 C LEU A 22 9.331 -8.018 -0.158 1.00 0.00 C ATOM 277 O LEU A 22 9.545 -7.298 0.818 1.00 0.00 O ATOM 278 CB LEU A 22 7.564 -7.014 -1.617 1.00 0.00 C ATOM 279 CG LEU A 22 6.114 -6.950 -2.097 1.00 0.00 C ATOM 280 CD1 LEU A 22 5.609 -8.338 -2.459 1.00 0.00 C ATOM 281 CD2 LEU A 22 5.227 -6.318 -1.034 1.00 0.00 C ATOM 0 H LEU A 22 6.840 -7.451 0.934 1.00 0.00 H new ATOM 0 HA LEU A 22 7.883 -9.114 -1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 22 7.792 -6.089 -1.087 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.214 -7.049 -2.491 1.00 0.00 H new ATOM 0 HG LEU A 22 6.075 -6.327 -2.991 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.575 -8.272 -2.798 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.227 -8.754 -3.255 1.00 0.00 H new ATOM 0 HD13 LEU A 22 5.663 -8.985 -1.583 1.00 0.00 H new ATOM 0 HD21 LEU A 22 4.199 -6.281 -1.393 1.00 0.00 H new ATOM 0 HD22 LEU A 22 5.271 -6.913 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 22 5.575 -5.306 -0.824 1.00 0.00 H new ATOM 293 N ILE A 23 10.292 -8.679 -0.794 1.00 0.00 N ATOM 294 CA ILE A 23 11.685 -8.596 -0.372 1.00 0.00 C ATOM 295 C ILE A 23 12.594 -8.244 -1.544 1.00 0.00 C ATOM 296 O ILE A 23 12.663 -8.977 -2.531 1.00 0.00 O ATOM 297 CB ILE A 23 12.163 -9.918 0.256 1.00 0.00 C ATOM 298 CG1 ILE A 23 11.279 -10.292 1.447 1.00 0.00 C ATOM 299 CG2 ILE A 23 13.619 -9.805 0.684 1.00 0.00 C ATOM 300 CD1 ILE A 23 11.537 -11.685 1.978 1.00 0.00 C ATOM 0 H ILE A 23 10.132 -9.278 -1.604 1.00 0.00 H new ATOM 0 HA ILE A 23 11.741 -7.807 0.378 1.00 0.00 H new ATOM 0 HB ILE A 23 12.085 -10.707 -0.492 1.00 0.00 H new ATOM 0 HG12 ILE A 23 11.439 -9.571 2.249 1.00 0.00 H new ATOM 0 HG13 ILE A 23 10.233 -10.213 1.152 1.00 0.00 H new ATOM 0 HG21 ILE A 23 13.942 -10.747 1.126 1.00 0.00 H new ATOM 0 HG22 ILE A 23 14.237 -9.581 -0.185 1.00 0.00 H new ATOM 0 HG23 ILE A 23 13.721 -9.006 1.418 1.00 0.00 H new ATOM 0 HD11 ILE A 23 10.875 -11.881 2.821 1.00 0.00 H new ATOM 0 HD12 ILE A 23 11.349 -12.415 1.191 1.00 0.00 H new ATOM 0 HD13 ILE A 23 12.574 -11.763 2.305 1.00 0.00 H new ATOM 312 N ILE A 24 13.291 -7.119 -1.428 1.00 0.00 N ATOM 313 CA ILE A 24 14.199 -6.671 -2.477 1.00 0.00 C ATOM 314 C ILE A 24 15.652 -6.762 -2.023 1.00 0.00 C ATOM 315 O ILE A 24 15.938 -6.809 -0.826 1.00 0.00 O ATOM 316 CB ILE A 24 13.896 -5.223 -2.904 1.00 0.00 C ATOM 317 CG1 ILE A 24 13.489 -4.385 -1.690 1.00 0.00 C ATOM 318 CG2 ILE A 24 12.802 -5.200 -3.961 1.00 0.00 C ATOM 319 CD1 ILE A 24 13.202 -2.938 -2.024 1.00 0.00 C ATOM 0 H ILE A 24 13.244 -6.501 -0.618 1.00 0.00 H new ATOM 0 HA ILE A 24 14.045 -7.332 -3.330 1.00 0.00 H new ATOM 0 HB ILE A 24 14.799 -4.790 -3.335 1.00 0.00 H new ATOM 0 HG12 ILE A 24 12.603 -4.827 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 24 14.285 -4.427 -0.946 1.00 0.00 H new ATOM 0 HG21 ILE A 24 12.599 -4.169 -4.252 1.00 0.00 H new ATOM 0 HG22 ILE A 24 13.127 -5.767 -4.834 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.895 -5.648 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.920 -2.404 -1.117 1.00 0.00 H new ATOM 0 HD12 ILE A 24 14.093 -2.480 -2.452 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.386 -2.886 -2.744 1.00 0.00 H new ATOM 331 N THR A 25 16.567 -6.785 -2.986 1.00 0.00 N ATOM 332 CA THR A 25 17.991 -6.869 -2.686 1.00 0.00 C ATOM 333 C THR A 25 18.777 -5.806 -3.444 1.00 0.00 C ATOM 334 O THR A 25 18.630 -5.658 -4.658 1.00 0.00 O ATOM 335 CB THR A 25 18.558 -8.258 -3.037 1.00 0.00 C ATOM 336 OG1 THR A 25 17.782 -9.279 -2.401 1.00 0.00 O ATOM 337 CG2 THR A 25 20.011 -8.374 -2.603 1.00 0.00 C ATOM 0 H THR A 25 16.347 -6.747 -3.981 1.00 0.00 H new ATOM 0 HA THR A 25 18.098 -6.701 -1.614 1.00 0.00 H new ATOM 0 HB THR A 25 18.507 -8.384 -4.118 1.00 0.00 H new ATOM 0 HG1 THR A 25 18.148 -10.159 -2.631 1.00 0.00 H new ATOM 0 HG21 THR A 25 20.390 -9.363 -2.861 1.00 0.00 H new ATOM 0 HG22 THR A 25 20.604 -7.614 -3.111 1.00 0.00 H new ATOM 0 HG23 THR A 25 20.081 -8.228 -1.525 1.00 0.00 H new ATOM 345 N LEU A 26 19.611 -5.067 -2.721 1.00 0.00 N ATOM 346 CA LEU A 26 20.422 -4.016 -3.326 1.00 0.00 C ATOM 347 C LEU A 26 21.184 -4.545 -4.538 1.00 0.00 C ATOM 348 O LEU A 26 21.450 -5.740 -4.661 1.00 0.00 O ATOM 349 CB LEU A 26 21.404 -3.448 -2.301 1.00 0.00 C ATOM 350 CG LEU A 26 20.817 -2.478 -1.274 1.00 0.00 C ATOM 351 CD1 LEU A 26 21.919 -1.882 -0.412 1.00 0.00 C ATOM 352 CD2 LEU A 26 20.027 -1.379 -1.969 1.00 0.00 C ATOM 0 H LEU A 26 19.743 -5.176 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 26 19.753 -3.222 -3.658 1.00 0.00 H new ATOM 0 HB2 LEU A 26 21.861 -4.280 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 26 22.203 -2.937 -2.838 1.00 0.00 H new ATOM 0 HG LEU A 26 20.137 -3.032 -0.626 1.00 0.00 H new ATOM 0 HD11 LEU A 26 21.483 -1.195 0.313 1.00 0.00 H new ATOM 0 HD12 LEU A 26 22.441 -2.681 0.115 1.00 0.00 H new ATOM 0 HD13 LEU A 26 22.624 -1.343 -1.044 1.00 0.00 H new ATOM 0 HD21 LEU A 26 19.617 -0.698 -1.223 1.00 0.00 H new ATOM 0 HD22 LEU A 26 20.685 -0.827 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 26 19.213 -1.823 -2.542 1.00 0.00 H new ATOM 364 N PRO A 27 21.545 -3.634 -5.454 1.00 0.00 N ATOM 365 CA PRO A 27 21.233 -2.208 -5.318 1.00 0.00 C ATOM 366 C PRO A 27 19.744 -1.922 -5.479 1.00 0.00 C ATOM 367 O PRO A 27 19.241 -0.908 -4.995 1.00 0.00 O ATOM 368 CB PRO A 27 22.027 -1.561 -6.456 1.00 0.00 C ATOM 369 CG PRO A 27 22.186 -2.642 -7.469 1.00 0.00 C ATOM 370 CD PRO A 27 22.285 -3.926 -6.693 1.00 0.00 C ATOM 0 HA PRO A 27 21.490 -1.827 -4.330 1.00 0.00 H new ATOM 0 HB2 PRO A 27 21.497 -0.704 -6.871 1.00 0.00 H new ATOM 0 HB3 PRO A 27 22.994 -1.199 -6.108 1.00 0.00 H new ATOM 0 HG2 PRO A 27 21.337 -2.664 -8.153 1.00 0.00 H new ATOM 0 HG3 PRO A 27 23.079 -2.482 -8.074 1.00 0.00 H new ATOM 0 HD2 PRO A 27 21.843 -4.760 -7.238 1.00 0.00 H new ATOM 0 HD3 PRO A 27 23.322 -4.193 -6.488 1.00 0.00 H new ATOM 378 N ASP A 28 19.044 -2.822 -6.161 1.00 0.00 N ATOM 379 CA ASP A 28 17.611 -2.668 -6.384 1.00 0.00 C ATOM 380 C ASP A 28 16.895 -2.310 -5.086 1.00 0.00 C ATOM 381 O ASP A 28 16.593 -3.181 -4.271 1.00 0.00 O ATOM 382 CB ASP A 28 17.023 -3.953 -6.968 1.00 0.00 C ATOM 383 CG ASP A 28 17.075 -3.977 -8.483 1.00 0.00 C ATOM 384 OD1 ASP A 28 18.181 -3.823 -9.041 1.00 0.00 O ATOM 385 OD2 ASP A 28 16.008 -4.149 -9.111 1.00 0.00 O ATOM 0 H ASP A 28 19.446 -3.666 -6.569 1.00 0.00 H new ATOM 0 HA ASP A 28 17.464 -1.855 -7.095 1.00 0.00 H new ATOM 0 HB2 ASP A 28 17.569 -4.810 -6.575 1.00 0.00 H new ATOM 0 HB3 ASP A 28 15.988 -4.057 -6.641 1.00 0.00 H new ATOM 390 N ASN A 29 16.625 -1.021 -4.900 1.00 0.00 N ATOM 391 CA ASN A 29 15.946 -0.548 -3.700 1.00 0.00 C ATOM 392 C ASN A 29 14.585 0.050 -4.046 1.00 0.00 C ATOM 393 O ASN A 29 14.040 0.854 -3.291 1.00 0.00 O ATOM 394 CB ASN A 29 16.804 0.493 -2.980 1.00 0.00 C ATOM 395 CG ASN A 29 17.247 1.615 -3.900 1.00 0.00 C ATOM 396 OD1 ASN A 29 16.641 1.850 -4.946 1.00 0.00 O ATOM 397 ND2 ASN A 29 18.309 2.313 -3.514 1.00 0.00 N ATOM 0 H ASN A 29 16.866 -0.286 -5.565 1.00 0.00 H new ATOM 0 HA ASN A 29 15.792 -1.401 -3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 29 16.239 0.912 -2.147 1.00 0.00 H new ATOM 0 HB3 ASN A 29 17.682 0.006 -2.557 1.00 0.00 H new ATOM 0 HD21 ASN A 29 18.654 3.079 -4.093 1.00 0.00 H new ATOM 0 HD22 ASN A 29 18.780 2.083 -2.639 1.00 0.00 H new ATOM 404 N GLU A 30 14.043 -0.350 -5.192 1.00 0.00 N ATOM 405 CA GLU A 30 12.746 0.146 -5.637 1.00 0.00 C ATOM 406 C GLU A 30 11.694 -0.958 -5.584 1.00 0.00 C ATOM 407 O GLU A 30 11.968 -2.109 -5.921 1.00 0.00 O ATOM 408 CB GLU A 30 12.848 0.701 -7.059 1.00 0.00 C ATOM 409 CG GLU A 30 14.010 1.661 -7.256 1.00 0.00 C ATOM 410 CD GLU A 30 14.006 2.307 -8.628 1.00 0.00 C ATOM 411 OE1 GLU A 30 12.923 2.735 -9.079 1.00 0.00 O ATOM 412 OE2 GLU A 30 15.086 2.385 -9.250 1.00 0.00 O ATOM 0 H GLU A 30 14.482 -1.016 -5.829 1.00 0.00 H new ATOM 0 HA GLU A 30 12.441 0.947 -4.963 1.00 0.00 H new ATOM 0 HB2 GLU A 30 12.951 -0.129 -7.758 1.00 0.00 H new ATOM 0 HB3 GLU A 30 11.918 1.213 -7.308 1.00 0.00 H new ATOM 0 HG2 GLU A 30 13.968 2.438 -6.493 1.00 0.00 H new ATOM 0 HG3 GLU A 30 14.948 1.124 -7.114 1.00 0.00 H new ATOM 419 N VAL A 31 10.487 -0.597 -5.159 1.00 0.00 N ATOM 420 CA VAL A 31 9.392 -1.555 -5.062 1.00 0.00 C ATOM 421 C VAL A 31 8.065 -0.915 -5.453 1.00 0.00 C ATOM 422 O VAL A 31 7.776 0.219 -5.071 1.00 0.00 O ATOM 423 CB VAL A 31 9.273 -2.129 -3.638 1.00 0.00 C ATOM 424 CG1 VAL A 31 9.439 -1.027 -2.602 1.00 0.00 C ATOM 425 CG2 VAL A 31 7.941 -2.842 -3.461 1.00 0.00 C ATOM 0 H VAL A 31 10.243 0.352 -4.876 1.00 0.00 H new ATOM 0 HA VAL A 31 9.619 -2.366 -5.755 1.00 0.00 H new ATOM 0 HB VAL A 31 10.071 -2.856 -3.490 1.00 0.00 H new ATOM 0 HG11 VAL A 31 9.352 -1.452 -1.602 1.00 0.00 H new ATOM 0 HG12 VAL A 31 10.420 -0.565 -2.716 1.00 0.00 H new ATOM 0 HG13 VAL A 31 8.664 -0.274 -2.745 1.00 0.00 H new ATOM 0 HG21 VAL A 31 7.874 -3.241 -2.449 1.00 0.00 H new ATOM 0 HG22 VAL A 31 7.126 -2.137 -3.628 1.00 0.00 H new ATOM 0 HG23 VAL A 31 7.867 -3.659 -4.179 1.00 0.00 H new ATOM 435 N GLU A 32 7.262 -1.649 -6.216 1.00 0.00 N ATOM 436 CA GLU A 32 5.964 -1.152 -6.658 1.00 0.00 C ATOM 437 C GLU A 32 4.830 -1.946 -6.018 1.00 0.00 C ATOM 438 O GLU A 32 4.524 -3.063 -6.438 1.00 0.00 O ATOM 439 CB GLU A 32 5.857 -1.228 -8.183 1.00 0.00 C ATOM 440 CG GLU A 32 4.459 -0.952 -8.709 1.00 0.00 C ATOM 441 CD GLU A 32 4.427 -0.773 -10.215 1.00 0.00 C ATOM 442 OE1 GLU A 32 5.342 -0.117 -10.754 1.00 0.00 O ATOM 443 OE2 GLU A 32 3.486 -1.290 -10.853 1.00 0.00 O ATOM 0 H GLU A 32 7.487 -2.589 -6.541 1.00 0.00 H new ATOM 0 HA GLU A 32 5.877 -0.111 -6.345 1.00 0.00 H new ATOM 0 HB2 GLU A 32 6.550 -0.511 -8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 32 6.171 -2.219 -8.512 1.00 0.00 H new ATOM 0 HG2 GLU A 32 3.801 -1.775 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.066 -0.054 -8.232 1.00 0.00 H new ATOM 450 N LEU A 33 4.210 -1.363 -4.998 1.00 0.00 N ATOM 451 CA LEU A 33 3.109 -2.015 -4.297 1.00 0.00 C ATOM 452 C LEU A 33 1.767 -1.628 -4.912 1.00 0.00 C ATOM 453 O LEU A 33 1.622 -0.546 -5.481 1.00 0.00 O ATOM 454 CB LEU A 33 3.130 -1.643 -2.814 1.00 0.00 C ATOM 455 CG LEU A 33 4.504 -1.639 -2.142 1.00 0.00 C ATOM 456 CD1 LEU A 33 4.535 -0.641 -0.995 1.00 0.00 C ATOM 457 CD2 LEU A 33 4.859 -3.034 -1.648 1.00 0.00 C ATOM 0 H LEU A 33 4.451 -0.440 -4.638 1.00 0.00 H new ATOM 0 HA LEU A 33 3.236 -3.093 -4.396 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.690 -0.652 -2.702 1.00 0.00 H new ATOM 0 HB3 LEU A 33 2.487 -2.339 -2.276 1.00 0.00 H new ATOM 0 HG LEU A 33 5.247 -1.336 -2.879 1.00 0.00 H new ATOM 0 HD11 LEU A 33 5.520 -0.652 -0.529 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.326 0.358 -1.376 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.781 -0.913 -0.256 1.00 0.00 H new ATOM 0 HD21 LEU A 33 5.840 -3.013 -1.173 1.00 0.00 H new ATOM 0 HD22 LEU A 33 4.113 -3.365 -0.926 1.00 0.00 H new ATOM 0 HD23 LEU A 33 4.879 -3.724 -2.491 1.00 0.00 H new ATOM 469 N LYS A 34 0.788 -2.518 -4.791 1.00 0.00 N ATOM 470 CA LYS A 34 -0.543 -2.270 -5.330 1.00 0.00 C ATOM 471 C LYS A 34 -1.598 -2.339 -4.230 1.00 0.00 C ATOM 472 O LYS A 34 -1.381 -2.955 -3.187 1.00 0.00 O ATOM 473 CB LYS A 34 -0.869 -3.286 -6.428 1.00 0.00 C ATOM 474 CG LYS A 34 -0.509 -2.809 -7.824 1.00 0.00 C ATOM 475 CD LYS A 34 -0.623 -3.930 -8.843 1.00 0.00 C ATOM 476 CE LYS A 34 -2.017 -3.996 -9.447 1.00 0.00 C ATOM 477 NZ LYS A 34 -2.167 -3.064 -10.599 1.00 0.00 N ATOM 0 H LYS A 34 0.892 -3.419 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.553 -1.267 -5.756 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -0.337 -4.215 -6.222 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -1.934 -3.515 -6.395 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -1.167 -1.988 -8.110 1.00 0.00 H new ATOM 0 HG3 LYS A 34 0.508 -2.418 -7.825 1.00 0.00 H new ATOM 0 HD2 LYS A 34 0.111 -3.779 -9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -0.387 -4.881 -8.367 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -2.223 -5.015 -9.775 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -2.756 -3.752 -8.684 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -3.123 -2.655 -10.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -1.463 -2.302 -10.523 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -2.019 -3.584 -11.488 1.00 0.00 H new ATOM 491 N ALA A 35 -2.740 -1.703 -4.471 1.00 0.00 N ATOM 492 CA ALA A 35 -3.829 -1.696 -3.502 1.00 0.00 C ATOM 493 C ALA A 35 -5.063 -2.399 -4.058 1.00 0.00 C ATOM 494 O ALA A 35 -5.621 -1.984 -5.073 1.00 0.00 O ATOM 495 CB ALA A 35 -4.168 -0.268 -3.101 1.00 0.00 C ATOM 0 H ALA A 35 -2.935 -1.186 -5.329 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.500 -2.242 -2.618 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.983 -0.277 -2.377 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -3.292 0.203 -2.655 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -4.473 0.295 -3.983 1.00 0.00 H new ATOM 501 N PHE A 36 -5.483 -3.466 -3.386 1.00 0.00 N ATOM 502 CA PHE A 36 -6.650 -4.228 -3.813 1.00 0.00 C ATOM 503 C PHE A 36 -7.754 -4.168 -2.762 1.00 0.00 C ATOM 504 O PHE A 36 -7.501 -4.341 -1.569 1.00 0.00 O ATOM 505 CB PHE A 36 -6.264 -5.684 -4.083 1.00 0.00 C ATOM 506 CG PHE A 36 -5.581 -5.889 -5.404 1.00 0.00 C ATOM 507 CD1 PHE A 36 -6.288 -5.773 -6.590 1.00 0.00 C ATOM 508 CD2 PHE A 36 -4.231 -6.197 -5.461 1.00 0.00 C ATOM 509 CE1 PHE A 36 -5.662 -5.960 -7.808 1.00 0.00 C ATOM 510 CE2 PHE A 36 -3.600 -6.385 -6.676 1.00 0.00 C ATOM 511 CZ PHE A 36 -4.317 -6.268 -7.851 1.00 0.00 C ATOM 0 H PHE A 36 -5.032 -3.822 -2.543 1.00 0.00 H new ATOM 0 HA PHE A 36 -7.026 -3.783 -4.734 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -5.607 -6.031 -3.286 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.161 -6.302 -4.048 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -7.341 -5.534 -6.562 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.666 -6.291 -4.546 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -6.224 -5.865 -8.725 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.547 -6.623 -6.707 1.00 0.00 H new ATOM 0 HZ PHE A 36 -3.826 -6.417 -8.801 1.00 0.00 H new ATOM 521 N VAL A 37 -8.980 -3.921 -3.212 1.00 0.00 N ATOM 522 CA VAL A 37 -10.123 -3.839 -2.311 1.00 0.00 C ATOM 523 C VAL A 37 -11.339 -4.546 -2.900 1.00 0.00 C ATOM 524 O VAL A 37 -11.571 -4.501 -4.108 1.00 0.00 O ATOM 525 CB VAL A 37 -10.492 -2.376 -2.005 1.00 0.00 C ATOM 526 CG1 VAL A 37 -10.503 -1.549 -3.282 1.00 0.00 C ATOM 527 CG2 VAL A 37 -11.839 -2.302 -1.301 1.00 0.00 C ATOM 0 H VAL A 37 -9.207 -3.774 -4.196 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.832 -4.334 -1.385 1.00 0.00 H new ATOM 0 HB VAL A 37 -9.736 -1.961 -1.338 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -10.766 -0.518 -3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.515 -1.575 -3.741 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -11.236 -1.960 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -12.084 -1.261 -1.092 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -12.608 -2.734 -1.941 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -11.791 -2.858 -0.365 1.00 0.00 H new ATOM 537 N ALA A 38 -12.112 -5.198 -2.039 1.00 0.00 N ATOM 538 CA ALA A 38 -13.306 -5.912 -2.473 1.00 0.00 C ATOM 539 C ALA A 38 -14.498 -5.584 -1.580 1.00 0.00 C ATOM 540 O ALA A 38 -14.382 -5.493 -0.358 1.00 0.00 O ATOM 541 CB ALA A 38 -13.049 -7.412 -2.483 1.00 0.00 C ATOM 0 H ALA A 38 -11.933 -5.247 -1.036 1.00 0.00 H new ATOM 0 HA ALA A 38 -13.545 -5.588 -3.486 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -13.949 -7.933 -2.809 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -12.231 -7.637 -3.168 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -12.782 -7.742 -1.479 1.00 0.00 H new ATOM 547 N PRO A 39 -15.672 -5.401 -2.202 1.00 0.00 N ATOM 548 CA PRO A 39 -15.822 -5.506 -3.656 1.00 0.00 C ATOM 549 C PRO A 39 -15.140 -4.358 -4.394 1.00 0.00 C ATOM 550 O PRO A 39 -14.990 -3.263 -3.853 1.00 0.00 O ATOM 551 CB PRO A 39 -17.338 -5.448 -3.862 1.00 0.00 C ATOM 552 CG PRO A 39 -17.853 -4.711 -2.674 1.00 0.00 C ATOM 553 CD PRO A 39 -16.943 -5.076 -1.533 1.00 0.00 C ATOM 0 HA PRO A 39 -15.359 -6.411 -4.049 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -17.592 -4.933 -4.788 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -17.768 -6.448 -3.925 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -17.847 -3.635 -2.849 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -18.883 -4.992 -2.457 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -16.828 -4.250 -0.831 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -17.328 -5.924 -0.967 1.00 0.00 H new ATOM 561 N ALA A 40 -14.731 -4.616 -5.631 1.00 0.00 N ATOM 562 CA ALA A 40 -14.068 -3.604 -6.443 1.00 0.00 C ATOM 563 C ALA A 40 -15.064 -2.566 -6.949 1.00 0.00 C ATOM 564 O ALA A 40 -16.212 -2.877 -7.268 1.00 0.00 O ATOM 565 CB ALA A 40 -13.343 -4.256 -7.612 1.00 0.00 C ATOM 0 H ALA A 40 -14.847 -5.518 -6.093 1.00 0.00 H new ATOM 0 HA ALA A 40 -13.338 -3.093 -5.816 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -12.852 -3.488 -8.210 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -12.596 -4.954 -7.233 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -14.061 -4.794 -8.231 1.00 0.00 H new ATOM 571 N PRO A 41 -14.618 -1.304 -7.025 1.00 0.00 N ATOM 572 CA PRO A 41 -15.456 -0.195 -7.491 1.00 0.00 C ATOM 573 C PRO A 41 -15.755 -0.282 -8.984 1.00 0.00 C ATOM 574 O PRO A 41 -15.116 -1.027 -9.727 1.00 0.00 O ATOM 575 CB PRO A 41 -14.608 1.043 -7.187 1.00 0.00 C ATOM 576 CG PRO A 41 -13.203 0.547 -7.184 1.00 0.00 C ATOM 577 CD PRO A 41 -13.261 -0.861 -6.662 1.00 0.00 C ATOM 0 HA PRO A 41 -16.432 -0.190 -7.005 1.00 0.00 H new ATOM 0 HB2 PRO A 41 -14.753 1.817 -7.940 1.00 0.00 H new ATOM 0 HB3 PRO A 41 -14.876 1.480 -6.225 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -12.778 0.574 -8.187 1.00 0.00 H new ATOM 0 HG3 PRO A 41 -12.570 1.171 -6.553 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -12.497 -1.491 -7.119 1.00 0.00 H new ATOM 0 HD3 PRO A 41 -13.101 -0.897 -5.584 1.00 0.00 H new ATOM 585 N PRO A 42 -16.750 0.496 -9.435 1.00 0.00 N ATOM 586 CA PRO A 42 -17.155 0.525 -10.844 1.00 0.00 C ATOM 587 C PRO A 42 -16.106 1.180 -11.736 1.00 0.00 C ATOM 588 O PRO A 42 -14.979 1.427 -11.307 1.00 0.00 O ATOM 589 CB PRO A 42 -18.438 1.360 -10.826 1.00 0.00 C ATOM 590 CG PRO A 42 -18.313 2.222 -9.618 1.00 0.00 C ATOM 591 CD PRO A 42 -17.554 1.409 -8.606 1.00 0.00 C ATOM 0 HA PRO A 42 -17.287 -0.478 -11.251 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -18.533 1.959 -11.732 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -19.322 0.725 -10.770 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -17.785 3.147 -9.851 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -19.294 2.503 -9.236 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -16.925 2.038 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -18.226 0.863 -7.943 1.00 0.00 H new ATOM 599 N VAL A 43 -16.484 1.458 -12.980 1.00 0.00 N ATOM 600 CA VAL A 43 -15.575 2.086 -13.932 1.00 0.00 C ATOM 601 C VAL A 43 -15.546 3.599 -13.749 1.00 0.00 C ATOM 602 O VAL A 43 -14.642 4.275 -14.237 1.00 0.00 O ATOM 603 CB VAL A 43 -15.975 1.763 -15.384 1.00 0.00 C ATOM 604 CG1 VAL A 43 -17.431 2.127 -15.631 1.00 0.00 C ATOM 605 CG2 VAL A 43 -15.062 2.489 -16.361 1.00 0.00 C ATOM 0 H VAL A 43 -17.413 1.258 -13.352 1.00 0.00 H new ATOM 0 HA VAL A 43 -14.582 1.681 -13.737 1.00 0.00 H new ATOM 0 HB VAL A 43 -15.862 0.691 -15.544 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -17.695 1.892 -16.662 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -18.068 1.558 -14.954 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -17.575 3.193 -15.454 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -15.358 2.250 -17.382 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -15.141 3.565 -16.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -14.031 2.173 -16.199 1.00 0.00 H new ATOM 615 N GLU A 44 -16.542 4.123 -13.041 1.00 0.00 N ATOM 616 CA GLU A 44 -16.630 5.557 -12.793 1.00 0.00 C ATOM 617 C GLU A 44 -16.109 5.902 -11.401 1.00 0.00 C ATOM 618 O GLU A 44 -15.017 6.451 -11.251 1.00 0.00 O ATOM 619 CB GLU A 44 -18.076 6.036 -12.942 1.00 0.00 C ATOM 620 CG GLU A 44 -18.557 6.080 -14.383 1.00 0.00 C ATOM 621 CD GLU A 44 -18.152 7.357 -15.093 1.00 0.00 C ATOM 622 OE1 GLU A 44 -18.133 8.420 -14.437 1.00 0.00 O ATOM 623 OE2 GLU A 44 -17.854 7.295 -16.304 1.00 0.00 O ATOM 0 H GLU A 44 -17.298 3.576 -12.630 1.00 0.00 H new ATOM 0 HA GLU A 44 -16.009 6.065 -13.531 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -18.729 5.377 -12.370 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -18.167 7.031 -12.507 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -18.153 5.224 -14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -19.643 5.986 -14.403 1.00 0.00 H new ATOM 630 N THR A 45 -16.900 5.577 -10.382 1.00 0.00 N ATOM 631 CA THR A 45 -16.522 5.853 -9.002 1.00 0.00 C ATOM 632 C THR A 45 -15.307 5.029 -8.590 1.00 0.00 C ATOM 633 O THR A 45 -15.311 3.802 -8.695 1.00 0.00 O ATOM 634 CB THR A 45 -17.681 5.558 -8.032 1.00 0.00 C ATOM 635 OG1 THR A 45 -18.861 6.251 -8.454 1.00 0.00 O ATOM 636 CG2 THR A 45 -17.320 5.976 -6.615 1.00 0.00 C ATOM 0 H THR A 45 -17.807 5.122 -10.488 1.00 0.00 H new ATOM 0 HA THR A 45 -16.274 6.913 -8.948 1.00 0.00 H new ATOM 0 HB THR A 45 -17.869 4.484 -8.040 1.00 0.00 H new ATOM 0 HG1 THR A 45 -19.594 6.057 -7.833 1.00 0.00 H new ATOM 0 HG21 THR A 45 -18.154 5.758 -5.948 1.00 0.00 H new ATOM 0 HG22 THR A 45 -16.439 5.425 -6.286 1.00 0.00 H new ATOM 0 HG23 THR A 45 -17.108 7.045 -6.594 1.00 0.00 H new ATOM 644 N THR A 46 -14.267 5.711 -8.120 1.00 0.00 N ATOM 645 CA THR A 46 -13.045 5.042 -7.692 1.00 0.00 C ATOM 646 C THR A 46 -12.636 5.486 -6.292 1.00 0.00 C ATOM 647 O THR A 46 -12.410 6.672 -6.048 1.00 0.00 O ATOM 648 CB THR A 46 -11.883 5.318 -8.665 1.00 0.00 C ATOM 649 OG1 THR A 46 -11.785 6.723 -8.925 1.00 0.00 O ATOM 650 CG2 THR A 46 -12.084 4.568 -9.974 1.00 0.00 C ATOM 0 H THR A 46 -14.247 6.726 -8.026 1.00 0.00 H new ATOM 0 HA THR A 46 -13.257 3.973 -7.684 1.00 0.00 H new ATOM 0 HB THR A 46 -10.960 4.969 -8.202 1.00 0.00 H new ATOM 0 HG1 THR A 46 -12.060 7.223 -8.128 1.00 0.00 H new ATOM 0 HG21 THR A 46 -11.251 4.778 -10.645 1.00 0.00 H new ATOM 0 HG22 THR A 46 -12.129 3.497 -9.776 1.00 0.00 H new ATOM 0 HG23 THR A 46 -13.015 4.891 -10.439 1.00 0.00 H new ATOM 658 N TYR A 47 -12.543 4.529 -5.377 1.00 0.00 N ATOM 659 CA TYR A 47 -12.163 4.822 -4.000 1.00 0.00 C ATOM 660 C TYR A 47 -10.900 5.677 -3.954 1.00 0.00 C ATOM 661 O TYR A 47 -10.323 6.008 -4.989 1.00 0.00 O ATOM 662 CB TYR A 47 -11.941 3.524 -3.222 1.00 0.00 C ATOM 663 CG TYR A 47 -13.147 2.611 -3.211 1.00 0.00 C ATOM 664 CD1 TYR A 47 -14.426 3.120 -3.023 1.00 0.00 C ATOM 665 CD2 TYR A 47 -13.006 1.240 -3.390 1.00 0.00 C ATOM 666 CE1 TYR A 47 -15.530 2.290 -3.012 1.00 0.00 C ATOM 667 CE2 TYR A 47 -14.105 0.403 -3.381 1.00 0.00 C ATOM 668 CZ TYR A 47 -15.364 0.932 -3.191 1.00 0.00 C ATOM 669 OH TYR A 47 -16.462 0.102 -3.182 1.00 0.00 O ATOM 0 H TYR A 47 -12.726 3.543 -5.563 1.00 0.00 H new ATOM 0 HA TYR A 47 -12.976 5.381 -3.537 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -11.096 2.990 -3.656 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -11.671 3.768 -2.195 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -14.559 4.183 -2.883 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.021 0.822 -3.539 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -16.517 2.702 -2.864 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -13.979 -0.660 -3.522 1.00 0.00 H new ATOM 0 HH TYR A 47 -16.173 -0.824 -3.323 1.00 0.00 H new ATOM 679 N ASN A 48 -10.477 6.031 -2.744 1.00 0.00 N ATOM 680 CA ASN A 48 -9.282 6.848 -2.561 1.00 0.00 C ATOM 681 C ASN A 48 -8.162 6.037 -1.917 1.00 0.00 C ATOM 682 O ASN A 48 -8.333 5.472 -0.836 1.00 0.00 O ATOM 683 CB ASN A 48 -9.603 8.071 -1.700 1.00 0.00 C ATOM 684 CG ASN A 48 -10.100 9.243 -2.522 1.00 0.00 C ATOM 685 OD1 ASN A 48 -9.364 9.803 -3.335 1.00 0.00 O ATOM 686 ND2 ASN A 48 -11.356 9.622 -2.314 1.00 0.00 N ATOM 0 H ASN A 48 -10.943 5.765 -1.877 1.00 0.00 H new ATOM 0 HA ASN A 48 -8.946 7.182 -3.543 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -10.358 7.803 -0.961 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -8.710 8.369 -1.150 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -11.746 10.406 -2.838 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -11.931 9.129 -1.630 1.00 0.00 H new ATOM 693 N TYR A 49 -7.017 5.984 -2.587 1.00 0.00 N ATOM 694 CA TYR A 49 -5.869 5.241 -2.082 1.00 0.00 C ATOM 695 C TYR A 49 -4.889 6.169 -1.371 1.00 0.00 C ATOM 696 O TYR A 49 -4.212 6.978 -2.006 1.00 0.00 O ATOM 697 CB TYR A 49 -5.161 4.514 -3.226 1.00 0.00 C ATOM 698 CG TYR A 49 -6.063 3.579 -4.000 1.00 0.00 C ATOM 699 CD1 TYR A 49 -6.449 2.355 -3.466 1.00 0.00 C ATOM 700 CD2 TYR A 49 -6.529 3.919 -5.264 1.00 0.00 C ATOM 701 CE1 TYR A 49 -7.273 1.498 -4.169 1.00 0.00 C ATOM 702 CE2 TYR A 49 -7.354 3.068 -5.973 1.00 0.00 C ATOM 703 CZ TYR A 49 -7.723 1.859 -5.422 1.00 0.00 C ATOM 704 OH TYR A 49 -8.544 1.008 -6.127 1.00 0.00 O ATOM 0 H TYR A 49 -6.859 6.447 -3.482 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.232 4.506 -1.364 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.743 5.252 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.324 3.945 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -6.099 2.069 -2.485 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -6.241 4.865 -5.699 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -7.563 0.550 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -7.708 3.348 -6.954 1.00 0.00 H new ATOM 0 HH TYR A 49 -8.771 1.413 -6.990 1.00 0.00 H new ATOM 714 N GLU A 50 -4.819 6.046 -0.049 1.00 0.00 N ATOM 715 CA GLU A 50 -3.922 6.874 0.749 1.00 0.00 C ATOM 716 C GLU A 50 -2.924 6.012 1.516 1.00 0.00 C ATOM 717 O GLU A 50 -3.280 5.354 2.495 1.00 0.00 O ATOM 718 CB GLU A 50 -4.723 7.738 1.725 1.00 0.00 C ATOM 719 CG GLU A 50 -3.856 8.584 2.642 1.00 0.00 C ATOM 720 CD GLU A 50 -4.625 9.718 3.290 1.00 0.00 C ATOM 721 OE1 GLU A 50 -4.862 10.739 2.611 1.00 0.00 O ATOM 722 OE2 GLU A 50 -4.991 9.585 4.477 1.00 0.00 O ATOM 0 H GLU A 50 -5.372 5.381 0.492 1.00 0.00 H new ATOM 0 HA GLU A 50 -3.368 7.523 0.071 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.385 8.393 1.158 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.357 7.092 2.332 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -3.428 7.950 3.419 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -3.023 8.995 2.071 1.00 0.00 H new ATOM 729 N TRP A 51 -1.675 6.019 1.065 1.00 0.00 N ATOM 730 CA TRP A 51 -0.625 5.238 1.709 1.00 0.00 C ATOM 731 C TRP A 51 0.045 6.037 2.821 1.00 0.00 C ATOM 732 O TRP A 51 0.022 7.267 2.813 1.00 0.00 O ATOM 733 CB TRP A 51 0.417 4.800 0.679 1.00 0.00 C ATOM 734 CG TRP A 51 -0.107 3.805 -0.311 1.00 0.00 C ATOM 735 CD1 TRP A 51 -0.782 4.076 -1.467 1.00 0.00 C ATOM 736 CD2 TRP A 51 -0.002 2.379 -0.231 1.00 0.00 C ATOM 737 NE1 TRP A 51 -1.102 2.905 -2.111 1.00 0.00 N ATOM 738 CE2 TRP A 51 -0.634 1.850 -1.373 1.00 0.00 C ATOM 739 CE3 TRP A 51 0.567 1.498 0.693 1.00 0.00 C ATOM 740 CZ2 TRP A 51 -0.713 0.481 -1.613 1.00 0.00 C ATOM 741 CZ3 TRP A 51 0.487 0.140 0.454 1.00 0.00 C ATOM 742 CH2 TRP A 51 -0.148 -0.359 -0.692 1.00 0.00 C ATOM 0 H TRP A 51 -1.364 6.557 0.256 1.00 0.00 H new ATOM 0 HA TRP A 51 -1.084 4.353 2.150 1.00 0.00 H new ATOM 0 HB2 TRP A 51 0.779 5.678 0.144 1.00 0.00 H new ATOM 0 HB3 TRP A 51 1.272 4.368 1.199 1.00 0.00 H new ATOM 0 HD1 TRP A 51 -1.028 5.066 -1.823 1.00 0.00 H new ATOM 0 HE1 TRP A 51 -1.606 2.833 -2.995 1.00 0.00 H new ATOM 0 HE3 TRP A 51 1.060 1.872 1.578 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 -1.203 0.095 -2.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 0.921 -0.550 1.163 1.00 0.00 H new ATOM 0 HH2 TRP A 51 -0.192 -1.426 -0.851 1.00 0.00 H new ATOM 753 N ASN A 52 0.641 5.331 3.775 1.00 0.00 N ATOM 754 CA ASN A 52 1.318 5.976 4.895 1.00 0.00 C ATOM 755 C ASN A 52 2.262 5.003 5.594 1.00 0.00 C ATOM 756 O ASN A 52 1.944 3.825 5.763 1.00 0.00 O ATOM 757 CB ASN A 52 0.293 6.517 5.894 1.00 0.00 C ATOM 758 CG ASN A 52 -0.319 7.829 5.442 1.00 0.00 C ATOM 759 OD1 ASN A 52 0.308 8.884 5.538 1.00 0.00 O ATOM 760 ND2 ASN A 52 -1.549 7.768 4.946 1.00 0.00 N ATOM 0 H ASN A 52 0.669 4.312 3.796 1.00 0.00 H new ATOM 0 HA ASN A 52 1.906 6.806 4.503 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -0.498 5.780 6.034 1.00 0.00 H new ATOM 0 HB3 ASN A 52 0.773 6.658 6.862 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -2.012 8.618 4.625 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -2.031 6.871 4.886 1.00 0.00 H new ATOM 767 N LEU A 53 3.424 5.503 5.999 1.00 0.00 N ATOM 768 CA LEU A 53 4.416 4.678 6.681 1.00 0.00 C ATOM 769 C LEU A 53 4.183 4.682 8.188 1.00 0.00 C ATOM 770 O LEU A 53 3.972 5.735 8.791 1.00 0.00 O ATOM 771 CB LEU A 53 5.827 5.181 6.370 1.00 0.00 C ATOM 772 CG LEU A 53 6.975 4.268 6.802 1.00 0.00 C ATOM 773 CD1 LEU A 53 6.826 2.890 6.176 1.00 0.00 C ATOM 774 CD2 LEU A 53 8.315 4.884 6.429 1.00 0.00 C ATOM 0 H LEU A 53 3.703 6.475 5.867 1.00 0.00 H new ATOM 0 HA LEU A 53 4.314 3.655 6.319 1.00 0.00 H new ATOM 0 HB2 LEU A 53 5.904 5.345 5.295 1.00 0.00 H new ATOM 0 HB3 LEU A 53 5.960 6.150 6.850 1.00 0.00 H new ATOM 0 HG LEU A 53 6.938 4.157 7.886 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.652 2.254 6.495 1.00 0.00 H new ATOM 0 HD12 LEU A 53 5.883 2.446 6.494 1.00 0.00 H new ATOM 0 HD13 LEU A 53 6.836 2.981 5.090 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.121 4.221 6.744 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.363 5.025 5.349 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.423 5.848 6.926 1.00 0.00 H new ATOM 786 N ILE A 54 4.224 3.499 8.791 1.00 0.00 N ATOM 787 CA ILE A 54 4.021 3.366 10.228 1.00 0.00 C ATOM 788 C ILE A 54 5.170 2.603 10.878 1.00 0.00 C ATOM 789 O ILE A 54 5.729 3.040 11.884 1.00 0.00 O ATOM 790 CB ILE A 54 2.697 2.647 10.546 1.00 0.00 C ATOM 791 CG1 ILE A 54 2.623 1.314 9.798 1.00 0.00 C ATOM 792 CG2 ILE A 54 1.513 3.531 10.182 1.00 0.00 C ATOM 793 CD1 ILE A 54 1.211 0.808 9.603 1.00 0.00 C ATOM 0 H ILE A 54 4.396 2.618 8.306 1.00 0.00 H new ATOM 0 HA ILE A 54 3.983 4.376 10.635 1.00 0.00 H new ATOM 0 HB ILE A 54 2.659 2.445 11.616 1.00 0.00 H new ATOM 0 HG12 ILE A 54 3.098 1.427 8.823 1.00 0.00 H new ATOM 0 HG13 ILE A 54 3.196 0.566 10.347 1.00 0.00 H new ATOM 0 HG21 ILE A 54 0.584 3.009 10.413 1.00 0.00 H new ATOM 0 HG22 ILE A 54 1.561 4.457 10.755 1.00 0.00 H new ATOM 0 HG23 ILE A 54 1.545 3.761 9.117 1.00 0.00 H new ATOM 0 HD11 ILE A 54 1.235 -0.140 9.066 1.00 0.00 H new ATOM 0 HD12 ILE A 54 0.739 0.663 10.575 1.00 0.00 H new ATOM 0 HD13 ILE A 54 0.640 1.536 9.028 1.00 0.00 H new ATOM 805 N SER A 55 5.518 1.460 10.295 1.00 0.00 N ATOM 806 CA SER A 55 6.600 0.634 10.818 1.00 0.00 C ATOM 807 C SER A 55 7.864 0.798 9.979 1.00 0.00 C ATOM 808 O SER A 55 8.009 0.176 8.926 1.00 0.00 O ATOM 809 CB SER A 55 6.180 -0.837 10.845 1.00 0.00 C ATOM 810 OG SER A 55 6.845 -1.539 11.880 1.00 0.00 O ATOM 0 H SER A 55 5.067 1.085 9.461 1.00 0.00 H new ATOM 0 HA SER A 55 6.815 0.962 11.835 1.00 0.00 H new ATOM 0 HB2 SER A 55 5.102 -0.908 10.988 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.405 -1.300 9.884 1.00 0.00 H new ATOM 0 HG SER A 55 6.558 -2.476 11.877 1.00 0.00 H new ATOM 816 N HIS A 56 8.776 1.641 10.454 1.00 0.00 N ATOM 817 CA HIS A 56 10.029 1.888 9.749 1.00 0.00 C ATOM 818 C HIS A 56 11.142 2.246 10.728 1.00 0.00 C ATOM 819 O HIS A 56 10.918 2.896 11.750 1.00 0.00 O ATOM 820 CB HIS A 56 9.850 3.011 8.727 1.00 0.00 C ATOM 821 CG HIS A 56 9.450 4.318 9.339 1.00 0.00 C ATOM 822 ND1 HIS A 56 8.268 4.729 9.856 1.00 0.00 N flip ATOM 823 CD2 HIS A 56 10.314 5.385 9.468 1.00 0.00 C flip ATOM 824 CE1 HIS A 56 8.439 6.022 10.285 1.00 0.00 C flip ATOM 825 NE2 HIS A 56 9.682 6.394 10.040 1.00 0.00 N flip ATOM 0 H HIS A 56 8.671 2.164 11.323 1.00 0.00 H new ATOM 0 HA HIS A 56 10.310 0.974 9.227 1.00 0.00 H new ATOM 0 HB2 HIS A 56 10.783 3.146 8.180 1.00 0.00 H new ATOM 0 HB3 HIS A 56 9.094 2.713 8.000 1.00 0.00 H new ATOM 0 HD1 HIS A 56 7.410 4.180 9.916 1.00 0.00 H new ATOM 0 HD2 HIS A 56 11.346 5.394 9.151 1.00 0.00 H new ATOM 0 HE1 HIS A 56 7.680 6.635 10.748 1.00 0.00 H new ATOM 834 N PRO A 57 12.372 1.814 10.412 1.00 0.00 N ATOM 835 CA PRO A 57 13.544 2.078 11.251 1.00 0.00 C ATOM 836 C PRO A 57 13.950 3.547 11.234 1.00 0.00 C ATOM 837 O PRO A 57 13.905 4.203 10.193 1.00 0.00 O ATOM 838 CB PRO A 57 14.637 1.214 10.617 1.00 0.00 C ATOM 839 CG PRO A 57 14.216 1.054 9.196 1.00 0.00 C ATOM 840 CD PRO A 57 12.712 1.034 9.210 1.00 0.00 C ATOM 0 HA PRO A 57 13.354 1.848 12.299 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.613 1.694 10.689 1.00 0.00 H new ATOM 0 HB3 PRO A 57 14.719 0.249 11.117 1.00 0.00 H new ATOM 0 HG2 PRO A 57 14.590 1.874 8.583 1.00 0.00 H new ATOM 0 HG3 PRO A 57 14.615 0.132 8.772 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.296 1.483 8.308 1.00 0.00 H new ATOM 0 HD3 PRO A 57 12.324 0.017 9.268 1.00 0.00 H new ATOM 848 N THR A 58 14.348 4.060 12.395 1.00 0.00 N ATOM 849 CA THR A 58 14.762 5.452 12.513 1.00 0.00 C ATOM 850 C THR A 58 15.805 5.808 11.460 1.00 0.00 C ATOM 851 O THR A 58 15.876 6.948 11.002 1.00 0.00 O ATOM 852 CB THR A 58 15.338 5.750 13.911 1.00 0.00 C ATOM 853 OG1 THR A 58 15.166 7.136 14.226 1.00 0.00 O ATOM 854 CG2 THR A 58 16.814 5.390 13.976 1.00 0.00 C ATOM 0 H THR A 58 14.392 3.532 13.266 1.00 0.00 H new ATOM 0 HA THR A 58 13.871 6.060 12.357 1.00 0.00 H new ATOM 0 HB THR A 58 14.800 5.143 14.639 1.00 0.00 H new ATOM 0 HG1 THR A 58 15.533 7.317 15.116 1.00 0.00 H new ATOM 0 HG21 THR A 58 17.198 5.609 14.972 1.00 0.00 H new ATOM 0 HG22 THR A 58 16.939 4.328 13.764 1.00 0.00 H new ATOM 0 HG23 THR A 58 17.364 5.974 13.238 1.00 0.00 H new ATOM 862 N ASP A 59 16.613 4.824 11.080 1.00 0.00 N ATOM 863 CA ASP A 59 17.653 5.033 10.078 1.00 0.00 C ATOM 864 C ASP A 59 17.044 5.440 8.740 1.00 0.00 C ATOM 865 O ASP A 59 17.649 6.190 7.974 1.00 0.00 O ATOM 866 CB ASP A 59 18.489 3.764 9.907 1.00 0.00 C ATOM 867 CG ASP A 59 19.259 3.404 11.163 1.00 0.00 C ATOM 868 OD1 ASP A 59 19.939 4.293 11.717 1.00 0.00 O ATOM 869 OD2 ASP A 59 19.180 2.234 11.592 1.00 0.00 O ATOM 0 H ASP A 59 16.568 3.875 11.450 1.00 0.00 H new ATOM 0 HA ASP A 59 18.299 5.840 10.423 1.00 0.00 H new ATOM 0 HB2 ASP A 59 17.835 2.935 9.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 19.188 3.902 9.082 1.00 0.00 H new ATOM 874 N TYR A 60 15.845 4.939 8.465 1.00 0.00 N ATOM 875 CA TYR A 60 15.156 5.247 7.217 1.00 0.00 C ATOM 876 C TYR A 60 15.084 6.754 6.993 1.00 0.00 C ATOM 877 O TYR A 60 14.848 7.521 7.926 1.00 0.00 O ATOM 878 CB TYR A 60 13.745 4.655 7.230 1.00 0.00 C ATOM 879 CG TYR A 60 12.987 4.870 5.939 1.00 0.00 C ATOM 880 CD1 TYR A 60 13.535 4.495 4.718 1.00 0.00 C ATOM 881 CD2 TYR A 60 11.724 5.448 5.941 1.00 0.00 C ATOM 882 CE1 TYR A 60 12.846 4.690 3.537 1.00 0.00 C ATOM 883 CE2 TYR A 60 11.027 5.645 4.764 1.00 0.00 C ATOM 884 CZ TYR A 60 11.593 5.265 3.565 1.00 0.00 C ATOM 885 OH TYR A 60 10.903 5.461 2.390 1.00 0.00 O ATOM 0 H TYR A 60 15.330 4.318 9.089 1.00 0.00 H new ATOM 0 HA TYR A 60 15.723 4.802 6.399 1.00 0.00 H new ATOM 0 HB2 TYR A 60 13.810 3.585 7.429 1.00 0.00 H new ATOM 0 HB3 TYR A 60 13.181 5.098 8.051 1.00 0.00 H new ATOM 0 HD1 TYR A 60 14.516 4.044 4.692 1.00 0.00 H new ATOM 0 HD2 TYR A 60 11.279 5.749 6.878 1.00 0.00 H new ATOM 0 HE1 TYR A 60 13.286 4.394 2.596 1.00 0.00 H new ATOM 0 HE2 TYR A 60 10.045 6.094 4.783 1.00 0.00 H new ATOM 0 HH TYR A 60 10.036 5.875 2.585 1.00 0.00 H new ATOM 934 N ILE A 64 7.887 9.038 1.246 1.00 0.00 N ATOM 935 CA ILE A 64 6.802 8.543 0.409 1.00 0.00 C ATOM 936 C ILE A 64 5.761 9.628 0.159 1.00 0.00 C ATOM 937 O ILE A 64 5.619 10.562 0.949 1.00 0.00 O ATOM 938 CB ILE A 64 6.112 7.322 1.045 1.00 0.00 C ATOM 939 CG1 ILE A 64 7.157 6.336 1.573 1.00 0.00 C ATOM 940 CG2 ILE A 64 5.198 6.644 0.035 1.00 0.00 C ATOM 941 CD1 ILE A 64 6.674 5.516 2.749 1.00 0.00 C ATOM 0 HA ILE A 64 7.247 8.245 -0.540 1.00 0.00 H new ATOM 0 HB ILE A 64 5.505 7.662 1.884 1.00 0.00 H new ATOM 0 HG12 ILE A 64 7.450 5.663 0.767 1.00 0.00 H new ATOM 0 HG13 ILE A 64 8.050 6.888 1.867 1.00 0.00 H new ATOM 0 HG21 ILE A 64 4.718 5.783 0.500 1.00 0.00 H new ATOM 0 HG22 ILE A 64 4.436 7.349 -0.297 1.00 0.00 H new ATOM 0 HG23 ILE A 64 5.785 6.314 -0.822 1.00 0.00 H new ATOM 0 HD11 ILE A 64 7.466 4.839 3.071 1.00 0.00 H new ATOM 0 HD12 ILE A 64 6.408 6.180 3.571 1.00 0.00 H new ATOM 0 HD13 ILE A 64 5.799 4.936 2.454 1.00 0.00 H new ATOM 953 N LYS A 65 5.031 9.498 -0.944 1.00 0.00 N ATOM 954 CA LYS A 65 3.999 10.466 -1.298 1.00 0.00 C ATOM 955 C LYS A 65 2.609 9.908 -1.010 1.00 0.00 C ATOM 956 O LYS A 65 1.650 10.211 -1.719 1.00 0.00 O ATOM 957 CB LYS A 65 4.112 10.845 -2.776 1.00 0.00 C ATOM 958 CG LYS A 65 5.484 11.365 -3.168 1.00 0.00 C ATOM 959 CD LYS A 65 5.586 12.869 -2.975 1.00 0.00 C ATOM 960 CE LYS A 65 6.660 13.473 -3.866 1.00 0.00 C ATOM 961 NZ LYS A 65 6.576 14.960 -3.907 1.00 0.00 N ATOM 0 H LYS A 65 5.135 8.731 -1.609 1.00 0.00 H new ATOM 0 HA LYS A 65 4.147 11.357 -0.689 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.876 9.972 -3.385 1.00 0.00 H new ATOM 0 HB3 LYS A 65 3.365 11.605 -3.005 1.00 0.00 H new ATOM 0 HG2 LYS A 65 6.247 10.868 -2.569 1.00 0.00 H new ATOM 0 HG3 LYS A 65 5.684 11.117 -4.210 1.00 0.00 H new ATOM 0 HD2 LYS A 65 4.624 13.332 -3.198 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.811 13.089 -1.931 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.643 13.175 -3.502 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.560 13.076 -4.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 7.325 15.333 -4.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 5.647 15.245 -4.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 6.697 15.341 -2.947 1.00 0.00 H new ATOM 975 N GLN A 66 2.508 9.093 0.036 1.00 0.00 N ATOM 976 CA GLN A 66 1.235 8.495 0.417 1.00 0.00 C ATOM 977 C GLN A 66 0.539 7.879 -0.793 1.00 0.00 C ATOM 978 O GLN A 66 -0.684 7.747 -0.817 1.00 0.00 O ATOM 979 CB GLN A 66 0.327 9.543 1.063 1.00 0.00 C ATOM 980 CG GLN A 66 0.837 10.046 2.404 1.00 0.00 C ATOM 981 CD GLN A 66 0.429 11.479 2.684 1.00 0.00 C ATOM 982 OE1 GLN A 66 -0.305 11.753 3.634 1.00 0.00 O ATOM 983 NE2 GLN A 66 0.903 12.402 1.855 1.00 0.00 N ATOM 0 H GLN A 66 3.292 8.832 0.634 1.00 0.00 H new ATOM 0 HA GLN A 66 1.436 7.704 1.140 1.00 0.00 H new ATOM 0 HB2 GLN A 66 0.221 10.389 0.383 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -0.667 9.117 1.198 1.00 0.00 H new ATOM 0 HG2 GLN A 66 0.457 9.403 3.197 1.00 0.00 H new ATOM 0 HG3 GLN A 66 1.924 9.971 2.426 1.00 0.00 H new ATOM 0 HE21 GLN A 66 1.508 12.129 1.081 1.00 0.00 H new ATOM 0 HE22 GLN A 66 0.662 13.383 1.993 1.00 0.00 H new ATOM 992 N GLY A 67 1.327 7.503 -1.795 1.00 0.00 N ATOM 993 CA GLY A 67 0.769 6.906 -2.994 1.00 0.00 C ATOM 994 C GLY A 67 -0.608 7.447 -3.324 1.00 0.00 C ATOM 995 O GLY A 67 -1.620 6.809 -3.032 1.00 0.00 O ATOM 0 H GLY A 67 2.342 7.601 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY A 67 1.439 7.090 -3.834 1.00 0.00 H new ATOM 0 HA3 GLY A 67 0.710 5.825 -2.864 1.00 0.00 H new ATOM 999 N HIS A 68 -0.648 8.628 -3.934 1.00 0.00 N ATOM 1000 CA HIS A 68 -1.912 9.255 -4.303 1.00 0.00 C ATOM 1001 C HIS A 68 -2.729 8.339 -5.209 1.00 0.00 C ATOM 1002 O HIS A 68 -3.916 8.573 -5.438 1.00 0.00 O ATOM 1003 CB HIS A 68 -1.658 10.590 -5.003 1.00 0.00 C ATOM 1004 CG HIS A 68 -1.426 11.728 -4.058 1.00 0.00 C ATOM 1005 ND1 HIS A 68 -0.744 11.591 -2.867 1.00 0.00 N ATOM 1006 CD2 HIS A 68 -1.790 13.030 -4.134 1.00 0.00 C ATOM 1007 CE1 HIS A 68 -0.700 12.759 -2.251 1.00 0.00 C ATOM 1008 NE2 HIS A 68 -1.326 13.649 -2.999 1.00 0.00 N ATOM 0 H HIS A 68 0.180 9.169 -4.183 1.00 0.00 H new ATOM 0 HA HIS A 68 -2.480 9.434 -3.390 1.00 0.00 H new ATOM 0 HB2 HIS A 68 -0.791 10.489 -5.656 1.00 0.00 H new ATOM 0 HB3 HIS A 68 -2.511 10.825 -5.639 1.00 0.00 H new ATOM 0 HD1 HIS A 68 -0.337 10.724 -2.517 1.00 0.00 H new ATOM 0 HD2 HIS A 68 -2.342 13.495 -4.937 1.00 0.00 H new ATOM 0 HE1 HIS A 68 -0.231 12.953 -1.297 1.00 0.00 H new ATOM 1017 N LYS A 69 -2.086 7.296 -5.723 1.00 0.00 N ATOM 1018 CA LYS A 69 -2.752 6.344 -6.604 1.00 0.00 C ATOM 1019 C LYS A 69 -2.831 4.966 -5.955 1.00 0.00 C ATOM 1020 O LYS A 69 -2.331 4.762 -4.849 1.00 0.00 O ATOM 1021 CB LYS A 69 -2.011 6.249 -7.939 1.00 0.00 C ATOM 1022 CG LYS A 69 -2.357 7.368 -8.907 1.00 0.00 C ATOM 1023 CD LYS A 69 -1.192 7.686 -9.830 1.00 0.00 C ATOM 1024 CE LYS A 69 -1.340 9.063 -10.459 1.00 0.00 C ATOM 1025 NZ LYS A 69 -1.041 10.152 -9.488 1.00 0.00 N ATOM 0 H LYS A 69 -1.103 7.088 -5.544 1.00 0.00 H new ATOM 0 HA LYS A 69 -3.766 6.701 -6.783 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -0.937 6.261 -7.751 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -2.242 5.291 -8.406 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -3.225 7.082 -9.501 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -2.634 8.262 -8.348 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -0.259 7.639 -9.269 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -1.131 6.931 -10.614 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -0.670 9.145 -11.315 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -2.355 9.182 -10.837 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -0.970 11.058 -9.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -1.804 10.208 -8.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -0.140 9.952 -9.008 1.00 0.00 H new ATOM 1039 N GLN A 70 -3.460 4.024 -6.651 1.00 0.00 N ATOM 1040 CA GLN A 70 -3.602 2.666 -6.142 1.00 0.00 C ATOM 1041 C GLN A 70 -2.238 2.018 -5.929 1.00 0.00 C ATOM 1042 O GLN A 70 -2.073 1.162 -5.059 1.00 0.00 O ATOM 1043 CB GLN A 70 -4.436 1.821 -7.107 1.00 0.00 C ATOM 1044 CG GLN A 70 -4.196 0.326 -6.971 1.00 0.00 C ATOM 1045 CD GLN A 70 -2.949 -0.134 -7.699 1.00 0.00 C ATOM 1046 OE1 GLN A 70 -1.863 -0.188 -7.120 1.00 0.00 O ATOM 1047 NE2 GLN A 70 -3.097 -0.469 -8.975 1.00 0.00 N ATOM 0 H GLN A 70 -3.879 4.177 -7.568 1.00 0.00 H new ATOM 0 HA GLN A 70 -4.113 2.718 -5.181 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -5.493 2.028 -6.937 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -4.212 2.125 -8.130 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -4.110 0.070 -5.915 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -5.059 -0.213 -7.361 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -4.015 -0.409 -9.415 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -2.292 -0.786 -9.516 1.00 0.00 H new ATOM 1056 N THR A 71 -1.260 2.432 -6.729 1.00 0.00 N ATOM 1057 CA THR A 71 0.089 1.891 -6.630 1.00 0.00 C ATOM 1058 C THR A 71 1.020 2.864 -5.915 1.00 0.00 C ATOM 1059 O THR A 71 0.909 4.080 -6.079 1.00 0.00 O ATOM 1060 CB THR A 71 0.670 1.572 -8.020 1.00 0.00 C ATOM 1061 OG1 THR A 71 0.159 2.494 -8.989 1.00 0.00 O ATOM 1062 CG2 THR A 71 0.327 0.149 -8.436 1.00 0.00 C ATOM 0 H THR A 71 -1.378 3.141 -7.453 1.00 0.00 H new ATOM 0 HA THR A 71 0.018 0.969 -6.053 1.00 0.00 H new ATOM 0 HB THR A 71 1.755 1.667 -7.966 1.00 0.00 H new ATOM 0 HG1 THR A 71 0.535 2.285 -9.870 1.00 0.00 H new ATOM 0 HG21 THR A 71 0.748 -0.054 -9.421 1.00 0.00 H new ATOM 0 HG22 THR A 71 0.743 -0.552 -7.712 1.00 0.00 H new ATOM 0 HG23 THR A 71 -0.756 0.032 -8.473 1.00 0.00 H new ATOM 1070 N LEU A 72 1.937 2.322 -5.121 1.00 0.00 N ATOM 1071 CA LEU A 72 2.889 3.143 -4.380 1.00 0.00 C ATOM 1072 C LEU A 72 4.324 2.738 -4.702 1.00 0.00 C ATOM 1073 O LEU A 72 4.799 1.694 -4.257 1.00 0.00 O ATOM 1074 CB LEU A 72 2.637 3.019 -2.877 1.00 0.00 C ATOM 1075 CG LEU A 72 3.653 3.711 -1.967 1.00 0.00 C ATOM 1076 CD1 LEU A 72 3.756 5.190 -2.309 1.00 0.00 C ATOM 1077 CD2 LEU A 72 3.272 3.526 -0.505 1.00 0.00 C ATOM 0 H LEU A 72 2.042 1.318 -4.974 1.00 0.00 H new ATOM 0 HA LEU A 72 2.748 4.181 -4.681 1.00 0.00 H new ATOM 0 HB2 LEU A 72 1.649 3.425 -2.660 1.00 0.00 H new ATOM 0 HB3 LEU A 72 2.610 1.960 -2.619 1.00 0.00 H new ATOM 0 HG LEU A 72 4.628 3.252 -2.129 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.483 5.666 -1.651 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.075 5.302 -3.345 1.00 0.00 H new ATOM 0 HD13 LEU A 72 2.783 5.663 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.006 4.025 0.128 1.00 0.00 H new ATOM 0 HD22 LEU A 72 2.287 3.958 -0.328 1.00 0.00 H new ATOM 0 HD23 LEU A 72 3.250 2.463 -0.266 1.00 0.00 H new ATOM 1089 N ASN A 73 5.009 3.573 -5.477 1.00 0.00 N ATOM 1090 CA ASN A 73 6.391 3.302 -5.858 1.00 0.00 C ATOM 1091 C ASN A 73 7.362 3.973 -4.891 1.00 0.00 C ATOM 1092 O ASN A 73 7.223 5.155 -4.574 1.00 0.00 O ATOM 1093 CB ASN A 73 6.654 3.790 -7.283 1.00 0.00 C ATOM 1094 CG ASN A 73 6.428 2.704 -8.317 1.00 0.00 C ATOM 1095 OD1 ASN A 73 5.193 2.224 -8.410 1.00 0.00 O flip ATOM 1096 ND2 ASN A 73 7.353 2.302 -9.024 1.00 0.00 N flip ATOM 0 H ASN A 73 4.630 4.442 -5.853 1.00 0.00 H new ATOM 0 HA ASN A 73 6.549 2.224 -5.816 1.00 0.00 H new ATOM 0 HB2 ASN A 73 6.002 4.636 -7.500 1.00 0.00 H new ATOM 0 HB3 ASN A 73 7.680 4.151 -7.357 1.00 0.00 H new ATOM 0 HD21 ASN A 73 8.286 2.700 -8.918 1.00 0.00 H new ATOM 0 HD22 ASN A 73 7.186 1.571 -9.716 1.00 0.00 H new ATOM 1103 N LEU A 74 8.346 3.211 -4.426 1.00 0.00 N ATOM 1104 CA LEU A 74 9.342 3.731 -3.496 1.00 0.00 C ATOM 1105 C LEU A 74 10.730 3.732 -4.129 1.00 0.00 C ATOM 1106 O LEU A 74 10.982 3.016 -5.098 1.00 0.00 O ATOM 1107 CB LEU A 74 9.355 2.897 -2.213 1.00 0.00 C ATOM 1108 CG LEU A 74 8.375 3.329 -1.122 1.00 0.00 C ATOM 1109 CD1 LEU A 74 6.992 2.756 -1.390 1.00 0.00 C ATOM 1110 CD2 LEU A 74 8.877 2.897 0.248 1.00 0.00 C ATOM 0 H LEU A 74 8.475 2.231 -4.678 1.00 0.00 H new ATOM 0 HA LEU A 74 9.073 4.759 -3.252 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.142 1.861 -2.475 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.363 2.920 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 74 8.304 4.417 -1.134 1.00 0.00 H new ATOM 0 HD11 LEU A 74 6.308 3.074 -0.603 1.00 0.00 H new ATOM 0 HD12 LEU A 74 6.630 3.115 -2.353 1.00 0.00 H new ATOM 0 HD13 LEU A 74 7.046 1.667 -1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.167 3.213 1.012 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.978 1.812 0.273 1.00 0.00 H new ATOM 0 HD23 LEU A 74 9.846 3.356 0.442 1.00 0.00 H new ATOM 1122 N SER A 75 11.628 4.539 -3.573 1.00 0.00 N ATOM 1123 CA SER A 75 12.990 4.635 -4.084 1.00 0.00 C ATOM 1124 C SER A 75 13.981 4.871 -2.948 1.00 0.00 C ATOM 1125 O SER A 75 13.587 5.139 -1.813 1.00 0.00 O ATOM 1126 CB SER A 75 13.094 5.765 -5.109 1.00 0.00 C ATOM 1127 OG SER A 75 13.114 7.031 -4.473 1.00 0.00 O ATOM 0 H SER A 75 11.437 5.136 -2.768 1.00 0.00 H new ATOM 0 HA SER A 75 13.237 3.690 -4.569 1.00 0.00 H new ATOM 0 HB2 SER A 75 13.999 5.639 -5.703 1.00 0.00 H new ATOM 0 HB3 SER A 75 12.251 5.714 -5.798 1.00 0.00 H new ATOM 0 HG SER A 75 13.183 7.736 -5.150 1.00 0.00 H new ATOM 1133 N GLN A 76 15.268 4.768 -3.263 1.00 0.00 N ATOM 1134 CA GLN A 76 16.316 4.969 -2.269 1.00 0.00 C ATOM 1135 C GLN A 76 15.946 4.306 -0.946 1.00 0.00 C ATOM 1136 O GLN A 76 16.100 4.899 0.122 1.00 0.00 O ATOM 1137 CB GLN A 76 16.563 6.463 -2.053 1.00 0.00 C ATOM 1138 CG GLN A 76 16.990 7.198 -3.313 1.00 0.00 C ATOM 1139 CD GLN A 76 17.805 8.441 -3.016 1.00 0.00 C ATOM 1140 OE1 GLN A 76 18.653 8.443 -2.122 1.00 0.00 O ATOM 1141 NE2 GLN A 76 17.553 9.508 -3.765 1.00 0.00 N ATOM 0 H GLN A 76 15.610 4.547 -4.198 1.00 0.00 H new ATOM 0 HA GLN A 76 17.230 4.507 -2.643 1.00 0.00 H new ATOM 0 HB2 GLN A 76 15.653 6.921 -1.666 1.00 0.00 H new ATOM 0 HB3 GLN A 76 17.332 6.589 -1.291 1.00 0.00 H new ATOM 0 HG2 GLN A 76 17.575 6.526 -3.940 1.00 0.00 H new ATOM 0 HG3 GLN A 76 16.104 7.477 -3.884 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.842 9.462 -4.495 1.00 0.00 H new ATOM 0 HE22 GLN A 76 18.071 10.373 -3.611 1.00 0.00 H new ATOM 1150 N LEU A 77 15.457 3.074 -1.025 1.00 0.00 N ATOM 1151 CA LEU A 77 15.064 2.329 0.167 1.00 0.00 C ATOM 1152 C LEU A 77 16.270 1.642 0.801 1.00 0.00 C ATOM 1153 O LEU A 77 16.934 0.822 0.167 1.00 0.00 O ATOM 1154 CB LEU A 77 13.998 1.291 -0.185 1.00 0.00 C ATOM 1155 CG LEU A 77 12.590 1.833 -0.434 1.00 0.00 C ATOM 1156 CD1 LEU A 77 11.718 0.774 -1.091 1.00 0.00 C ATOM 1157 CD2 LEU A 77 11.963 2.309 0.868 1.00 0.00 C ATOM 0 H LEU A 77 15.323 2.569 -1.901 1.00 0.00 H new ATOM 0 HA LEU A 77 14.651 3.035 0.887 1.00 0.00 H new ATOM 0 HB2 LEU A 77 14.322 0.755 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 77 13.947 0.563 0.624 1.00 0.00 H new ATOM 0 HG LEU A 77 12.665 2.684 -1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 77 10.720 1.178 -1.260 1.00 0.00 H new ATOM 0 HD12 LEU A 77 12.157 0.481 -2.045 1.00 0.00 H new ATOM 0 HD13 LEU A 77 11.651 -0.097 -0.440 1.00 0.00 H new ATOM 0 HD21 LEU A 77 10.961 2.691 0.671 1.00 0.00 H new ATOM 0 HD22 LEU A 77 11.902 1.476 1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 77 12.576 3.101 1.299 1.00 0.00 H new ATOM 1169 N SER A 78 16.544 1.980 2.057 1.00 0.00 N ATOM 1170 CA SER A 78 17.670 1.396 2.777 1.00 0.00 C ATOM 1171 C SER A 78 17.322 0.004 3.293 1.00 0.00 C ATOM 1172 O SER A 78 16.182 -0.447 3.177 1.00 0.00 O ATOM 1173 CB SER A 78 18.079 2.298 3.943 1.00 0.00 C ATOM 1174 OG SER A 78 19.450 2.130 4.261 1.00 0.00 O ATOM 0 H SER A 78 16.002 2.655 2.597 1.00 0.00 H new ATOM 0 HA SER A 78 18.507 1.308 2.084 1.00 0.00 H new ATOM 0 HB2 SER A 78 17.887 3.340 3.686 1.00 0.00 H new ATOM 0 HB3 SER A 78 17.469 2.068 4.816 1.00 0.00 H new ATOM 0 HG SER A 78 19.687 2.718 5.008 1.00 0.00 H new ATOM 1180 N VAL A 79 18.312 -0.673 3.866 1.00 0.00 N ATOM 1181 CA VAL A 79 18.112 -2.014 4.402 1.00 0.00 C ATOM 1182 C VAL A 79 17.335 -1.971 5.713 1.00 0.00 C ATOM 1183 O VAL A 79 17.849 -1.525 6.737 1.00 0.00 O ATOM 1184 CB VAL A 79 19.455 -2.731 4.637 1.00 0.00 C ATOM 1185 CG1 VAL A 79 19.226 -4.111 5.234 1.00 0.00 C ATOM 1186 CG2 VAL A 79 20.242 -2.826 3.339 1.00 0.00 C ATOM 0 H VAL A 79 19.261 -0.314 3.971 1.00 0.00 H new ATOM 0 HA VAL A 79 17.538 -2.569 3.660 1.00 0.00 H new ATOM 0 HB VAL A 79 20.040 -2.147 5.348 1.00 0.00 H new ATOM 0 HG11 VAL A 79 20.186 -4.602 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 79 18.706 -4.013 6.187 1.00 0.00 H new ATOM 0 HG13 VAL A 79 18.622 -4.707 4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 79 21.188 -3.335 3.523 1.00 0.00 H new ATOM 0 HG22 VAL A 79 19.665 -3.387 2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 79 20.438 -1.824 2.958 1.00 0.00 H new ATOM 1196 N GLY A 80 16.091 -2.440 5.673 1.00 0.00 N ATOM 1197 CA GLY A 80 15.263 -2.446 6.864 1.00 0.00 C ATOM 1198 C GLY A 80 13.821 -2.809 6.566 1.00 0.00 C ATOM 1199 O GLY A 80 13.446 -2.992 5.407 1.00 0.00 O ATOM 0 H GLY A 80 15.643 -2.816 4.837 1.00 0.00 H new ATOM 0 HA2 GLY A 80 15.672 -3.156 7.583 1.00 0.00 H new ATOM 0 HA3 GLY A 80 15.298 -1.462 7.332 1.00 0.00 H new ATOM 1203 N LEU A 81 13.011 -2.916 7.613 1.00 0.00 N ATOM 1204 CA LEU A 81 11.602 -3.262 7.459 1.00 0.00 C ATOM 1205 C LEU A 81 10.755 -2.011 7.249 1.00 0.00 C ATOM 1206 O LEU A 81 11.013 -0.966 7.847 1.00 0.00 O ATOM 1207 CB LEU A 81 11.107 -4.027 8.687 1.00 0.00 C ATOM 1208 CG LEU A 81 9.621 -4.390 8.697 1.00 0.00 C ATOM 1209 CD1 LEU A 81 9.335 -5.493 7.690 1.00 0.00 C ATOM 1210 CD2 LEU A 81 9.185 -4.813 10.093 1.00 0.00 C ATOM 0 H LEU A 81 13.306 -2.768 8.578 1.00 0.00 H new ATOM 0 HA LEU A 81 11.503 -3.898 6.579 1.00 0.00 H new ATOM 0 HB2 LEU A 81 11.686 -4.946 8.775 1.00 0.00 H new ATOM 0 HB3 LEU A 81 11.321 -3.429 9.573 1.00 0.00 H new ATOM 0 HG LEU A 81 9.048 -3.508 8.411 1.00 0.00 H new ATOM 0 HD11 LEU A 81 8.273 -5.738 7.711 1.00 0.00 H new ATOM 0 HD12 LEU A 81 9.610 -5.154 6.691 1.00 0.00 H new ATOM 0 HD13 LEU A 81 9.917 -6.379 7.945 1.00 0.00 H new ATOM 0 HD21 LEU A 81 8.125 -5.068 10.082 1.00 0.00 H new ATOM 0 HD22 LEU A 81 9.764 -5.682 10.407 1.00 0.00 H new ATOM 0 HD23 LEU A 81 9.354 -3.993 10.791 1.00 0.00 H new ATOM 1222 N TYR A 82 9.742 -2.126 6.397 1.00 0.00 N ATOM 1223 CA TYR A 82 8.856 -1.004 6.108 1.00 0.00 C ATOM 1224 C TYR A 82 7.417 -1.478 5.932 1.00 0.00 C ATOM 1225 O TYR A 82 7.118 -2.277 5.044 1.00 0.00 O ATOM 1226 CB TYR A 82 9.321 -0.271 4.848 1.00 0.00 C ATOM 1227 CG TYR A 82 10.799 0.045 4.843 1.00 0.00 C ATOM 1228 CD1 TYR A 82 11.306 1.104 5.586 1.00 0.00 C ATOM 1229 CD2 TYR A 82 11.690 -0.715 4.095 1.00 0.00 C ATOM 1230 CE1 TYR A 82 12.656 1.398 5.583 1.00 0.00 C ATOM 1231 CE2 TYR A 82 13.042 -0.430 4.088 1.00 0.00 C ATOM 1232 CZ TYR A 82 13.520 0.628 4.833 1.00 0.00 C ATOM 1233 OH TYR A 82 14.865 0.916 4.829 1.00 0.00 O ATOM 0 H TYR A 82 9.514 -2.984 5.895 1.00 0.00 H new ATOM 0 HA TYR A 82 8.893 -0.318 6.954 1.00 0.00 H new ATOM 0 HB2 TYR A 82 9.085 -0.880 3.975 1.00 0.00 H new ATOM 0 HB3 TYR A 82 8.759 0.658 4.750 1.00 0.00 H new ATOM 0 HD1 TYR A 82 10.633 1.708 6.176 1.00 0.00 H new ATOM 0 HD2 TYR A 82 11.319 -1.543 3.509 1.00 0.00 H new ATOM 0 HE1 TYR A 82 13.033 2.226 6.165 1.00 0.00 H new ATOM 0 HE2 TYR A 82 13.721 -1.032 3.502 1.00 0.00 H new ATOM 0 HH TYR A 82 15.376 0.091 4.689 1.00 0.00 H new ATOM 1243 N VAL A 83 6.528 -0.979 6.784 1.00 0.00 N ATOM 1244 CA VAL A 83 5.119 -1.348 6.723 1.00 0.00 C ATOM 1245 C VAL A 83 4.264 -0.179 6.247 1.00 0.00 C ATOM 1246 O VAL A 83 4.118 0.823 6.947 1.00 0.00 O ATOM 1247 CB VAL A 83 4.603 -1.821 8.096 1.00 0.00 C ATOM 1248 CG1 VAL A 83 3.118 -2.144 8.026 1.00 0.00 C ATOM 1249 CG2 VAL A 83 5.396 -3.027 8.576 1.00 0.00 C ATOM 0 H VAL A 83 6.759 -0.318 7.525 1.00 0.00 H new ATOM 0 HA VAL A 83 5.037 -2.168 6.009 1.00 0.00 H new ATOM 0 HB VAL A 83 4.742 -1.013 8.815 1.00 0.00 H new ATOM 0 HG11 VAL A 83 2.771 -2.476 9.005 1.00 0.00 H new ATOM 0 HG12 VAL A 83 2.565 -1.253 7.729 1.00 0.00 H new ATOM 0 HG13 VAL A 83 2.952 -2.935 7.294 1.00 0.00 H new ATOM 0 HG21 VAL A 83 5.018 -3.348 9.547 1.00 0.00 H new ATOM 0 HG22 VAL A 83 5.290 -3.841 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 83 6.448 -2.758 8.667 1.00 0.00 H new ATOM 1259 N PHE A 84 3.700 -0.315 5.051 1.00 0.00 N ATOM 1260 CA PHE A 84 2.859 0.731 4.480 1.00 0.00 C ATOM 1261 C PHE A 84 1.381 0.381 4.628 1.00 0.00 C ATOM 1262 O PHE A 84 0.933 -0.676 4.185 1.00 0.00 O ATOM 1263 CB PHE A 84 3.200 0.938 3.002 1.00 0.00 C ATOM 1264 CG PHE A 84 4.671 0.857 2.709 1.00 0.00 C ATOM 1265 CD1 PHE A 84 5.509 1.920 3.005 1.00 0.00 C ATOM 1266 CD2 PHE A 84 5.215 -0.282 2.139 1.00 0.00 C ATOM 1267 CE1 PHE A 84 6.863 1.848 2.736 1.00 0.00 C ATOM 1268 CE2 PHE A 84 6.568 -0.360 1.868 1.00 0.00 C ATOM 1269 CZ PHE A 84 7.393 0.707 2.168 1.00 0.00 C ATOM 0 H PHE A 84 3.810 -1.138 4.459 1.00 0.00 H new ATOM 0 HA PHE A 84 3.052 1.656 5.024 1.00 0.00 H new ATOM 0 HB2 PHE A 84 2.678 0.188 2.408 1.00 0.00 H new ATOM 0 HB3 PHE A 84 2.827 1.912 2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 84 5.100 2.815 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 84 4.574 -1.119 1.904 1.00 0.00 H new ATOM 0 HE1 PHE A 84 7.506 2.684 2.970 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.980 -1.254 1.422 1.00 0.00 H new ATOM 0 HZ PHE A 84 8.451 0.648 1.958 1.00 0.00 H new ATOM 1279 N LYS A 85 0.628 1.278 5.255 1.00 0.00 N ATOM 1280 CA LYS A 85 -0.800 1.068 5.463 1.00 0.00 C ATOM 1281 C LYS A 85 -1.621 1.921 4.501 1.00 0.00 C ATOM 1282 O LYS A 85 -1.657 3.146 4.617 1.00 0.00 O ATOM 1283 CB LYS A 85 -1.181 1.400 6.907 1.00 0.00 C ATOM 1284 CG LYS A 85 -2.680 1.437 7.148 1.00 0.00 C ATOM 1285 CD LYS A 85 -3.005 1.818 8.583 1.00 0.00 C ATOM 1286 CE LYS A 85 -2.783 3.303 8.829 1.00 0.00 C ATOM 1287 NZ LYS A 85 -1.342 3.621 9.031 1.00 0.00 N ATOM 0 H LYS A 85 0.983 2.158 5.628 1.00 0.00 H new ATOM 0 HA LYS A 85 -1.019 0.018 5.268 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -0.733 0.661 7.571 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -0.755 2.367 7.173 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -3.141 2.152 6.467 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -3.110 0.461 6.924 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -4.042 1.563 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -2.383 1.238 9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -3.166 3.873 7.982 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -3.350 3.615 9.706 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -1.243 4.302 9.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -0.824 2.750 9.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -0.952 4.033 8.159 1.00 0.00 H new ATOM 1301 N VAL A 86 -2.282 1.265 3.552 1.00 0.00 N ATOM 1302 CA VAL A 86 -3.105 1.963 2.571 1.00 0.00 C ATOM 1303 C VAL A 86 -4.545 2.092 3.055 1.00 0.00 C ATOM 1304 O VAL A 86 -5.308 1.126 3.034 1.00 0.00 O ATOM 1305 CB VAL A 86 -3.095 1.238 1.212 1.00 0.00 C ATOM 1306 CG1 VAL A 86 -3.142 -0.269 1.410 1.00 0.00 C ATOM 1307 CG2 VAL A 86 -4.256 1.708 0.350 1.00 0.00 C ATOM 0 H VAL A 86 -2.264 0.251 3.442 1.00 0.00 H new ATOM 0 HA VAL A 86 -2.675 2.957 2.447 1.00 0.00 H new ATOM 0 HB VAL A 86 -2.167 1.483 0.696 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -3.134 -0.764 0.439 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -2.274 -0.587 1.987 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -4.052 -0.537 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -4.234 1.186 -0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -5.196 1.495 0.858 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -4.171 2.781 0.179 1.00 0.00 H new ATOM 1317 N THR A 87 -4.911 3.294 3.491 1.00 0.00 N ATOM 1318 CA THR A 87 -6.259 3.551 3.981 1.00 0.00 C ATOM 1319 C THR A 87 -7.190 3.955 2.844 1.00 0.00 C ATOM 1320 O THR A 87 -7.057 5.039 2.274 1.00 0.00 O ATOM 1321 CB THR A 87 -6.266 4.657 5.053 1.00 0.00 C ATOM 1322 OG1 THR A 87 -5.214 4.431 5.997 1.00 0.00 O ATOM 1323 CG2 THR A 87 -7.603 4.700 5.777 1.00 0.00 C ATOM 0 H THR A 87 -4.292 4.104 3.514 1.00 0.00 H new ATOM 0 HA THR A 87 -6.616 2.622 4.426 1.00 0.00 H new ATOM 0 HB THR A 87 -6.108 5.614 4.557 1.00 0.00 H new ATOM 0 HG1 THR A 87 -5.570 3.953 6.775 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.584 5.489 6.529 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.399 4.901 5.060 1.00 0.00 H new ATOM 0 HG23 THR A 87 -7.785 3.741 6.261 1.00 0.00 H new ATOM 1331 N VAL A 88 -8.134 3.078 2.517 1.00 0.00 N ATOM 1332 CA VAL A 88 -9.089 3.345 1.448 1.00 0.00 C ATOM 1333 C VAL A 88 -10.521 3.317 1.971 1.00 0.00 C ATOM 1334 O VAL A 88 -11.024 2.270 2.376 1.00 0.00 O ATOM 1335 CB VAL A 88 -8.951 2.323 0.304 1.00 0.00 C ATOM 1336 CG1 VAL A 88 -10.041 2.535 -0.736 1.00 0.00 C ATOM 1337 CG2 VAL A 88 -7.572 2.415 -0.330 1.00 0.00 C ATOM 0 H VAL A 88 -8.258 2.176 2.977 1.00 0.00 H new ATOM 0 HA VAL A 88 -8.865 4.340 1.064 1.00 0.00 H new ATOM 0 HB VAL A 88 -9.068 1.322 0.719 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -9.927 1.804 -1.536 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -11.018 2.413 -0.269 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.959 3.541 -1.149 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -7.493 1.686 -1.136 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -7.422 3.417 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -6.811 2.208 0.422 1.00 0.00 H new ATOM 1347 N SER A 89 -11.172 4.476 1.958 1.00 0.00 N ATOM 1348 CA SER A 89 -12.546 4.585 2.434 1.00 0.00 C ATOM 1349 C SER A 89 -13.395 5.396 1.459 1.00 0.00 C ATOM 1350 O SER A 89 -12.871 6.154 0.644 1.00 0.00 O ATOM 1351 CB SER A 89 -12.578 5.236 3.818 1.00 0.00 C ATOM 1352 OG SER A 89 -12.461 6.645 3.723 1.00 0.00 O ATOM 0 H SER A 89 -10.770 5.352 1.623 1.00 0.00 H new ATOM 0 HA SER A 89 -12.962 3.580 2.503 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.509 4.979 4.323 1.00 0.00 H new ATOM 0 HB3 SER A 89 -11.765 4.841 4.428 1.00 0.00 H new ATOM 0 HG SER A 89 -12.486 7.037 4.621 1.00 0.00 H new ATOM 1358 N SER A 90 -14.711 5.229 1.550 1.00 0.00 N ATOM 1359 CA SER A 90 -15.634 5.941 0.674 1.00 0.00 C ATOM 1360 C SER A 90 -16.714 6.651 1.486 1.00 0.00 C ATOM 1361 O SER A 90 -16.702 6.618 2.716 1.00 0.00 O ATOM 1362 CB SER A 90 -16.281 4.971 -0.317 1.00 0.00 C ATOM 1363 OG SER A 90 -17.433 4.363 0.241 1.00 0.00 O ATOM 0 H SER A 90 -15.161 4.607 2.221 1.00 0.00 H new ATOM 0 HA SER A 90 -15.067 6.690 0.121 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.553 5.505 -1.228 1.00 0.00 H new ATOM 0 HB3 SER A 90 -15.562 4.203 -0.600 1.00 0.00 H new ATOM 0 HG SER A 90 -17.828 3.749 -0.413 1.00 0.00 H new ATOM 1369 N GLU A 91 -17.645 7.292 0.786 1.00 0.00 N ATOM 1370 CA GLU A 91 -18.731 8.011 1.441 1.00 0.00 C ATOM 1371 C GLU A 91 -19.527 7.082 2.354 1.00 0.00 C ATOM 1372 O GLU A 91 -19.989 7.487 3.419 1.00 0.00 O ATOM 1373 CB GLU A 91 -19.659 8.638 0.399 1.00 0.00 C ATOM 1374 CG GLU A 91 -20.938 9.209 0.988 1.00 0.00 C ATOM 1375 CD GLU A 91 -21.604 10.217 0.070 1.00 0.00 C ATOM 1376 OE1 GLU A 91 -21.189 11.394 0.081 1.00 0.00 O ATOM 1377 OE2 GLU A 91 -22.540 9.827 -0.659 1.00 0.00 O ATOM 0 H GLU A 91 -17.669 7.328 -0.233 1.00 0.00 H new ATOM 0 HA GLU A 91 -18.293 8.802 2.050 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -19.123 9.431 -0.122 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -19.917 7.885 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -21.634 8.395 1.194 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -20.713 9.685 1.942 1.00 0.00 H new ATOM 1384 N ASN A 92 -19.682 5.833 1.926 1.00 0.00 N ATOM 1385 CA ASN A 92 -20.423 4.846 2.702 1.00 0.00 C ATOM 1386 C ASN A 92 -19.613 3.563 2.866 1.00 0.00 C ATOM 1387 O ASN A 92 -20.167 2.465 2.881 1.00 0.00 O ATOM 1388 CB ASN A 92 -21.761 4.535 2.028 1.00 0.00 C ATOM 1389 CG ASN A 92 -22.821 5.573 2.342 1.00 0.00 C ATOM 1390 OD1 ASN A 92 -23.147 5.811 3.505 1.00 0.00 O ATOM 1391 ND2 ASN A 92 -23.365 6.196 1.303 1.00 0.00 N ATOM 0 H ASN A 92 -19.304 5.481 1.046 1.00 0.00 H new ATOM 0 HA ASN A 92 -20.611 5.265 3.690 1.00 0.00 H new ATOM 0 HB2 ASN A 92 -21.617 4.481 0.949 1.00 0.00 H new ATOM 0 HB3 ASN A 92 -22.109 3.554 2.353 1.00 0.00 H new ATOM 0 HD21 ASN A 92 -24.084 6.904 1.452 1.00 0.00 H new ATOM 0 HD22 ASN A 92 -23.064 5.967 0.356 1.00 0.00 H new ATOM 1398 N ALA A 93 -18.298 3.712 2.988 1.00 0.00 N ATOM 1399 CA ALA A 93 -17.412 2.566 3.153 1.00 0.00 C ATOM 1400 C ALA A 93 -16.119 2.969 3.854 1.00 0.00 C ATOM 1401 O ALA A 93 -15.825 4.155 4.002 1.00 0.00 O ATOM 1402 CB ALA A 93 -17.107 1.936 1.802 1.00 0.00 C ATOM 0 H ALA A 93 -17.823 4.615 2.976 1.00 0.00 H new ATOM 0 HA ALA A 93 -17.920 1.832 3.778 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -16.444 1.082 1.940 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -18.035 1.604 1.338 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -16.622 2.671 1.159 1.00 0.00 H new ATOM 1408 N PHE A 94 -15.351 1.974 4.286 1.00 0.00 N ATOM 1409 CA PHE A 94 -14.090 2.225 4.974 1.00 0.00 C ATOM 1410 C PHE A 94 -13.226 0.967 5.002 1.00 0.00 C ATOM 1411 O PHE A 94 -13.682 -0.103 5.401 1.00 0.00 O ATOM 1412 CB PHE A 94 -14.351 2.709 6.401 1.00 0.00 C ATOM 1413 CG PHE A 94 -13.192 2.489 7.331 1.00 0.00 C ATOM 1414 CD1 PHE A 94 -11.963 3.076 7.078 1.00 0.00 C ATOM 1415 CD2 PHE A 94 -13.332 1.694 8.457 1.00 0.00 C ATOM 1416 CE1 PHE A 94 -10.894 2.875 7.931 1.00 0.00 C ATOM 1417 CE2 PHE A 94 -12.267 1.490 9.314 1.00 0.00 C ATOM 1418 CZ PHE A 94 -11.047 2.080 9.051 1.00 0.00 C ATOM 0 H PHE A 94 -15.580 0.987 4.172 1.00 0.00 H new ATOM 0 HA PHE A 94 -13.554 3.001 4.427 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -14.591 3.772 6.377 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -15.226 2.194 6.796 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -11.839 3.698 6.204 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -14.284 1.229 8.667 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -9.941 3.338 7.723 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -12.389 0.869 10.189 1.00 0.00 H new ATOM 0 HZ PHE A 94 -10.214 1.921 9.719 1.00 0.00 H new ATOM 1428 N GLY A 95 -11.975 1.106 4.572 1.00 0.00 N ATOM 1429 CA GLY A 95 -11.067 -0.026 4.555 1.00 0.00 C ATOM 1430 C GLY A 95 -9.618 0.391 4.714 1.00 0.00 C ATOM 1431 O GLY A 95 -9.250 1.516 4.378 1.00 0.00 O ATOM 0 H GLY A 95 -11.575 1.982 4.235 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -11.334 -0.714 5.357 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -11.185 -0.569 3.617 1.00 0.00 H new ATOM 1435 N GLU A 96 -8.796 -0.518 5.229 1.00 0.00 N ATOM 1436 CA GLU A 96 -7.380 -0.236 5.433 1.00 0.00 C ATOM 1437 C GLU A 96 -6.531 -1.467 5.128 1.00 0.00 C ATOM 1438 O GLU A 96 -6.898 -2.589 5.472 1.00 0.00 O ATOM 1439 CB GLU A 96 -7.131 0.224 6.872 1.00 0.00 C ATOM 1440 CG GLU A 96 -7.763 1.566 7.199 1.00 0.00 C ATOM 1441 CD GLU A 96 -7.130 2.230 8.406 1.00 0.00 C ATOM 1442 OE1 GLU A 96 -7.544 1.916 9.542 1.00 0.00 O ATOM 1443 OE2 GLU A 96 -6.219 3.064 8.215 1.00 0.00 O ATOM 0 H GLU A 96 -9.086 -1.454 5.512 1.00 0.00 H new ATOM 0 HA GLU A 96 -7.092 0.562 4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -7.521 -0.528 7.558 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -6.056 0.286 7.044 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -7.672 2.226 6.336 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -8.828 1.427 7.383 1.00 0.00 H new ATOM 1450 N GLY A 97 -5.392 -1.246 4.477 1.00 0.00 N ATOM 1451 CA GLY A 97 -4.509 -2.346 4.135 1.00 0.00 C ATOM 1452 C GLY A 97 -3.173 -2.260 4.847 1.00 0.00 C ATOM 1453 O GLY A 97 -2.821 -1.217 5.399 1.00 0.00 O ATOM 0 H GLY A 97 -5.066 -0.326 4.181 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -4.993 -3.289 4.390 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -4.343 -2.353 3.058 1.00 0.00 H new ATOM 1457 N PHE A 98 -2.428 -3.360 4.838 1.00 0.00 N ATOM 1458 CA PHE A 98 -1.124 -3.405 5.490 1.00 0.00 C ATOM 1459 C PHE A 98 -0.181 -4.353 4.755 1.00 0.00 C ATOM 1460 O PHE A 98 -0.504 -5.519 4.531 1.00 0.00 O ATOM 1461 CB PHE A 98 -1.275 -3.847 6.947 1.00 0.00 C ATOM 1462 CG PHE A 98 -1.974 -2.836 7.811 1.00 0.00 C ATOM 1463 CD1 PHE A 98 -3.355 -2.722 7.787 1.00 0.00 C ATOM 1464 CD2 PHE A 98 -1.251 -2.000 8.646 1.00 0.00 C ATOM 1465 CE1 PHE A 98 -4.001 -1.792 8.580 1.00 0.00 C ATOM 1466 CE2 PHE A 98 -1.891 -1.068 9.442 1.00 0.00 C ATOM 1467 CZ PHE A 98 -3.268 -0.965 9.409 1.00 0.00 C ATOM 0 H PHE A 98 -2.704 -4.232 4.387 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.697 -2.403 5.463 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.829 -4.785 6.978 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.287 -4.047 7.362 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -3.933 -3.367 7.142 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -0.174 -2.077 8.676 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -5.078 -1.712 8.551 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -1.315 -0.422 10.088 1.00 0.00 H new ATOM 0 HZ PHE A 98 -3.771 -0.239 10.030 1.00 0.00 H new ATOM 1477 N VAL A 99 0.988 -3.842 4.381 1.00 0.00 N ATOM 1478 CA VAL A 99 1.980 -4.642 3.671 1.00 0.00 C ATOM 1479 C VAL A 99 3.379 -4.403 4.228 1.00 0.00 C ATOM 1480 O VAL A 99 3.767 -3.265 4.491 1.00 0.00 O ATOM 1481 CB VAL A 99 1.978 -4.328 2.163 1.00 0.00 C ATOM 1482 CG1 VAL A 99 2.517 -2.929 1.908 1.00 0.00 C ATOM 1483 CG2 VAL A 99 2.788 -5.368 1.403 1.00 0.00 C ATOM 0 H VAL A 99 1.271 -2.878 4.558 1.00 0.00 H new ATOM 0 HA VAL A 99 1.708 -5.687 3.817 1.00 0.00 H new ATOM 0 HB VAL A 99 0.950 -4.366 1.802 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.508 -2.725 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.892 -2.199 2.422 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.538 -2.859 2.282 1.00 0.00 H new ATOM 0 HG21 VAL A 99 2.777 -5.132 0.339 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.816 -5.364 1.765 1.00 0.00 H new ATOM 0 HG23 VAL A 99 2.352 -6.355 1.560 1.00 0.00 H new ATOM 1493 N ASN A 100 4.132 -5.483 4.405 1.00 0.00 N ATOM 1494 CA ASN A 100 5.489 -5.391 4.930 1.00 0.00 C ATOM 1495 C ASN A 100 6.515 -5.695 3.843 1.00 0.00 C ATOM 1496 O ASN A 100 6.399 -6.688 3.125 1.00 0.00 O ATOM 1497 CB ASN A 100 5.671 -6.357 6.103 1.00 0.00 C ATOM 1498 CG ASN A 100 4.514 -6.301 7.082 1.00 0.00 C ATOM 1499 OD1 ASN A 100 3.389 -5.964 6.713 1.00 0.00 O ATOM 1500 ND2 ASN A 100 4.787 -6.633 8.339 1.00 0.00 N ATOM 0 H ASN A 100 3.825 -6.432 4.193 1.00 0.00 H new ATOM 0 HA ASN A 100 5.648 -4.371 5.280 1.00 0.00 H new ATOM 0 HB2 ASN A 100 5.772 -7.373 5.721 1.00 0.00 H new ATOM 0 HB3 ASN A 100 6.598 -6.119 6.626 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.049 -6.615 9.043 1.00 0.00 H new ATOM 0 HD22 ASN A 100 5.734 -6.906 8.600 1.00 0.00 H new ATOM 1507 N VAL A 101 7.521 -4.833 3.728 1.00 0.00 N ATOM 1508 CA VAL A 101 8.569 -5.010 2.730 1.00 0.00 C ATOM 1509 C VAL A 101 9.951 -4.977 3.373 1.00 0.00 C ATOM 1510 O VAL A 101 10.274 -4.064 4.133 1.00 0.00 O ATOM 1511 CB VAL A 101 8.496 -3.923 1.641 1.00 0.00 C ATOM 1512 CG1 VAL A 101 9.657 -4.062 0.669 1.00 0.00 C ATOM 1513 CG2 VAL A 101 7.165 -3.994 0.908 1.00 0.00 C ATOM 0 H VAL A 101 7.632 -4.005 4.314 1.00 0.00 H new ATOM 0 HA VAL A 101 8.408 -5.985 2.271 1.00 0.00 H new ATOM 0 HB VAL A 101 8.570 -2.947 2.120 1.00 0.00 H new ATOM 0 HG11 VAL A 101 9.588 -3.286 -0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 101 10.598 -3.958 1.209 1.00 0.00 H new ATOM 0 HG13 VAL A 101 9.618 -5.042 0.193 1.00 0.00 H new ATOM 0 HG21 VAL A 101 7.130 -3.219 0.142 1.00 0.00 H new ATOM 0 HG22 VAL A 101 7.059 -4.973 0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.351 -3.841 1.616 1.00 0.00 H new ATOM 1523 N THR A 102 10.766 -5.981 3.063 1.00 0.00 N ATOM 1524 CA THR A 102 12.114 -6.068 3.610 1.00 0.00 C ATOM 1525 C THR A 102 13.163 -5.837 2.529 1.00 0.00 C ATOM 1526 O THR A 102 13.039 -6.341 1.412 1.00 0.00 O ATOM 1527 CB THR A 102 12.365 -7.438 4.269 1.00 0.00 C ATOM 1528 OG1 THR A 102 11.361 -7.698 5.256 1.00 0.00 O ATOM 1529 CG2 THR A 102 13.742 -7.484 4.914 1.00 0.00 C ATOM 0 H THR A 102 10.515 -6.745 2.436 1.00 0.00 H new ATOM 0 HA THR A 102 12.199 -5.288 4.366 1.00 0.00 H new ATOM 0 HB THR A 102 12.319 -8.203 3.494 1.00 0.00 H new ATOM 0 HG1 THR A 102 11.527 -8.571 5.669 1.00 0.00 H new ATOM 0 HG21 THR A 102 13.896 -8.461 5.373 1.00 0.00 H new ATOM 0 HG22 THR A 102 14.505 -7.315 4.155 1.00 0.00 H new ATOM 0 HG23 THR A 102 13.812 -6.709 5.678 1.00 0.00 H new ATOM 1537 N VAL A 103 14.196 -5.072 2.867 1.00 0.00 N ATOM 1538 CA VAL A 103 15.268 -4.775 1.924 1.00 0.00 C ATOM 1539 C VAL A 103 16.591 -5.372 2.391 1.00 0.00 C ATOM 1540 O VAL A 103 17.152 -4.951 3.403 1.00 0.00 O ATOM 1541 CB VAL A 103 15.442 -3.257 1.731 1.00 0.00 C ATOM 1542 CG1 VAL A 103 16.556 -2.969 0.737 1.00 0.00 C ATOM 1543 CG2 VAL A 103 14.134 -2.626 1.276 1.00 0.00 C ATOM 0 H VAL A 103 14.313 -4.647 3.787 1.00 0.00 H new ATOM 0 HA VAL A 103 14.985 -5.224 0.972 1.00 0.00 H new ATOM 0 HB VAL A 103 15.719 -2.815 2.688 1.00 0.00 H new ATOM 0 HG11 VAL A 103 16.664 -1.891 0.614 1.00 0.00 H new ATOM 0 HG12 VAL A 103 17.492 -3.387 1.108 1.00 0.00 H new ATOM 0 HG13 VAL A 103 16.312 -3.421 -0.224 1.00 0.00 H new ATOM 0 HG21 VAL A 103 14.274 -1.553 1.144 1.00 0.00 H new ATOM 0 HG22 VAL A 103 13.825 -3.071 0.330 1.00 0.00 H new ATOM 0 HG23 VAL A 103 13.364 -2.802 2.028 1.00 0.00 H new ATOM 1553 N LYS A 104 17.086 -6.355 1.647 1.00 0.00 N ATOM 1554 CA LYS A 104 18.345 -7.010 1.983 1.00 0.00 C ATOM 1555 C LYS A 104 19.530 -6.228 1.427 1.00 0.00 C ATOM 1556 O LYS A 104 19.449 -5.597 0.372 1.00 0.00 O ATOM 1557 CB LYS A 104 18.362 -8.439 1.437 1.00 0.00 C ATOM 1558 CG LYS A 104 17.127 -9.244 1.802 1.00 0.00 C ATOM 1559 CD LYS A 104 17.172 -9.710 3.247 1.00 0.00 C ATOM 1560 CE LYS A 104 16.430 -11.025 3.432 1.00 0.00 C ATOM 1561 NZ LYS A 104 17.143 -12.160 2.785 1.00 0.00 N ATOM 0 H LYS A 104 16.634 -6.716 0.807 1.00 0.00 H new ATOM 0 HA LYS A 104 18.431 -7.042 3.069 1.00 0.00 H new ATOM 0 HB2 LYS A 104 18.454 -8.403 0.352 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.246 -8.953 1.815 1.00 0.00 H new ATOM 0 HG2 LYS A 104 16.236 -8.637 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 104 17.047 -10.108 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 104 18.209 -9.829 3.560 1.00 0.00 H new ATOM 0 HD3 LYS A 104 16.731 -8.948 3.890 1.00 0.00 H new ATOM 0 HE2 LYS A 104 16.313 -11.229 4.496 1.00 0.00 H new ATOM 0 HE3 LYS A 104 15.428 -10.939 3.012 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 16.842 -13.054 3.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 16.917 -12.178 1.770 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 18.169 -12.042 2.909 1.00 0.00 H new ATOM 1575 N PRO A 105 20.659 -6.269 2.149 1.00 0.00 N ATOM 1576 CA PRO A 105 21.884 -5.571 1.746 1.00 0.00 C ATOM 1577 C PRO A 105 22.531 -6.200 0.517 1.00 0.00 C ATOM 1578 O PRO A 105 22.331 -7.381 0.234 1.00 0.00 O ATOM 1579 CB PRO A 105 22.796 -5.719 2.966 1.00 0.00 C ATOM 1580 CG PRO A 105 22.312 -6.950 3.653 1.00 0.00 C ATOM 1581 CD PRO A 105 20.828 -7.000 3.416 1.00 0.00 C ATOM 0 HA PRO A 105 21.690 -4.536 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 105 23.841 -5.815 2.670 1.00 0.00 H new ATOM 0 HB3 PRO A 105 22.729 -4.849 3.619 1.00 0.00 H new ATOM 0 HG2 PRO A 105 22.801 -7.838 3.253 1.00 0.00 H new ATOM 0 HG3 PRO A 105 22.536 -6.916 4.719 1.00 0.00 H new ATOM 0 HD2 PRO A 105 20.468 -8.026 3.339 1.00 0.00 H new ATOM 0 HD3 PRO A 105 20.275 -6.528 4.229 1.00 0.00 H new ATOM 1589 N ALA A 106 23.309 -5.404 -0.210 1.00 0.00 N ATOM 1590 CA ALA A 106 23.988 -5.885 -1.406 1.00 0.00 C ATOM 1591 C ALA A 106 25.003 -6.970 -1.063 1.00 0.00 C ATOM 1592 O ALA A 106 26.055 -6.690 -0.488 1.00 0.00 O ATOM 1593 CB ALA A 106 24.670 -4.730 -2.126 1.00 0.00 C ATOM 0 H ALA A 106 23.484 -4.423 0.009 1.00 0.00 H new ATOM 0 HA ALA A 106 23.240 -6.321 -2.068 1.00 0.00 H new ATOM 0 HB1 ALA A 106 25.173 -5.104 -3.018 1.00 0.00 H new ATOM 0 HB2 ALA A 106 23.924 -3.989 -2.414 1.00 0.00 H new ATOM 0 HB3 ALA A 106 25.402 -4.269 -1.463 1.00 0.00 H new