USER MOD reduce.3.24.130724 H: found=0, std=0, add=657, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 658 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 Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= -0.0858 (180deg=-0.0858) USER MOD Single : A 14 CYS SG : rot 128:sc= -2.84! USER MOD Single : A 17 THR OG1 : rot 34:sc= 0.0823 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 LYS NZ :NH3+ -126:sc= -0.0451 (180deg=-1.17) USER MOD Single : A 39 THR OG1 : rot 5:sc= 0.48 USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.444 (180deg=-0.828) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.0784 USER MOD Single : A 47 CYS SG : rot -80:sc= -3.87! USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.014 USER MOD Single : A 51 THR OG1 : rot -53:sc= -0.548 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.908! USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 THR OG1 : rot -100:sc= -0.198 USER MOD Single : A 69 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot -141:sc= 1.15 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.67 USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 81 TYR OH : rot 17:sc= 1.26 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 ASN :FLIP amide:sc= -0.309 F(o=-1.9,f=-0.31) USER MOD Single : A 95 SER OG : rot 52:sc= -0.517 USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 87 N ASP A 10 -9.307 -19.070 -6.464 1.00 0.00 N ATOM 88 CA ASP A 10 -9.840 -17.954 -7.236 1.00 0.00 C ATOM 89 C ASP A 10 -9.401 -16.621 -6.637 1.00 0.00 C ATOM 90 O ASP A 10 -9.124 -16.528 -5.442 1.00 0.00 O ATOM 91 CB ASP A 10 -11.366 -18.027 -7.291 1.00 0.00 C ATOM 92 CG ASP A 10 -11.867 -19.409 -7.657 1.00 0.00 C ATOM 93 OD1 ASP A 10 -12.056 -20.236 -6.739 1.00 0.00 O ATOM 94 OD2 ASP A 10 -12.073 -19.665 -8.862 1.00 0.00 O ATOM 0 HA ASP A 10 -9.445 -18.023 -8.250 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -11.776 -17.740 -6.322 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -11.735 -17.305 -8.020 1.00 0.00 H new ATOM 99 N ALA A 11 -9.342 -15.592 -7.475 1.00 0.00 N ATOM 100 CA ALA A 11 -8.939 -14.265 -7.027 1.00 0.00 C ATOM 101 C ALA A 11 -10.153 -13.370 -6.797 1.00 0.00 C ATOM 102 O ALA A 11 -10.233 -12.664 -5.793 1.00 0.00 O ATOM 103 CB ALA A 11 -7.999 -13.629 -8.041 1.00 0.00 C ATOM 0 H ALA A 11 -9.568 -15.652 -8.468 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.415 -14.373 -6.078 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.706 -12.638 -7.694 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -7.111 -14.251 -8.154 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -8.506 -13.541 -9.002 1.00 0.00 H new ATOM 109 N SER A 12 -11.096 -13.407 -7.733 1.00 0.00 N ATOM 110 CA SER A 12 -12.304 -12.597 -7.633 1.00 0.00 C ATOM 111 C SER A 12 -13.011 -12.836 -6.303 1.00 0.00 C ATOM 112 O SER A 12 -13.616 -11.927 -5.736 1.00 0.00 O ATOM 113 CB SER A 12 -13.253 -12.914 -8.791 1.00 0.00 C ATOM 114 OG SER A 12 -13.492 -14.307 -8.888 1.00 0.00 O ATOM 0 H SER A 12 -11.047 -13.989 -8.569 1.00 0.00 H new ATOM 0 HA SER A 12 -12.013 -11.548 -7.686 1.00 0.00 H new ATOM 0 HB2 SER A 12 -14.197 -12.389 -8.646 1.00 0.00 H new ATOM 0 HB3 SER A 12 -12.826 -12.549 -9.725 1.00 0.00 H new ATOM 0 HG SER A 12 -14.102 -14.483 -9.634 1.00 0.00 H new ATOM 120 N LYS A 13 -12.928 -14.067 -5.809 1.00 0.00 N ATOM 121 CA LYS A 13 -13.557 -14.428 -4.545 1.00 0.00 C ATOM 122 C LYS A 13 -12.919 -13.672 -3.383 1.00 0.00 C ATOM 123 O LYS A 13 -13.595 -13.309 -2.420 1.00 0.00 O ATOM 124 CB LYS A 13 -13.445 -15.936 -4.307 1.00 0.00 C ATOM 125 CG LYS A 13 -13.884 -16.773 -5.497 1.00 0.00 C ATOM 126 CD LYS A 13 -15.395 -16.751 -5.666 1.00 0.00 C ATOM 127 CE LYS A 13 -16.062 -17.859 -4.866 1.00 0.00 C ATOM 128 NZ LYS A 13 -17.488 -17.547 -4.569 1.00 0.00 N ATOM 0 H LYS A 13 -12.431 -14.832 -6.266 1.00 0.00 H new ATOM 0 HA LYS A 13 -14.610 -14.152 -4.602 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -12.412 -16.181 -4.062 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -14.050 -16.205 -3.441 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -13.410 -16.396 -6.403 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -13.546 -17.801 -5.365 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -15.784 -15.785 -5.345 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -15.646 -16.861 -6.721 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -16.003 -18.795 -5.422 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -15.521 -18.009 -3.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -17.907 -18.326 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -17.543 -16.668 -4.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -18.011 -17.429 -5.460 1.00 0.00 H new ATOM 142 N CYS A 14 -11.615 -13.437 -3.483 1.00 0.00 N ATOM 143 CA CYS A 14 -10.886 -12.723 -2.440 1.00 0.00 C ATOM 144 C CYS A 14 -11.426 -11.306 -2.272 1.00 0.00 C ATOM 145 O CYS A 14 -11.809 -10.656 -3.247 1.00 0.00 O ATOM 146 CB CYS A 14 -9.394 -12.676 -2.773 1.00 0.00 C ATOM 147 SG CYS A 14 -8.316 -12.598 -1.323 1.00 0.00 S ATOM 0 H CYS A 14 -11.042 -13.730 -4.274 1.00 0.00 H new ATOM 0 HA CYS A 14 -11.025 -13.260 -1.501 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -9.135 -13.559 -3.358 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -9.201 -11.808 -3.403 1.00 0.00 H new ATOM 0 HG CYS A 14 -7.420 -13.537 -1.397 1.00 0.00 H new ATOM 153 N LEU A 15 -11.455 -10.834 -1.032 1.00 0.00 N ATOM 154 CA LEU A 15 -11.951 -9.494 -0.735 1.00 0.00 C ATOM 155 C LEU A 15 -10.858 -8.637 -0.102 1.00 0.00 C ATOM 156 O LEU A 15 -9.947 -9.154 0.543 1.00 0.00 O ATOM 157 CB LEU A 15 -13.160 -9.570 0.200 1.00 0.00 C ATOM 158 CG LEU A 15 -14.281 -10.517 -0.231 1.00 0.00 C ATOM 159 CD1 LEU A 15 -15.393 -10.533 0.807 1.00 0.00 C ATOM 160 CD2 LEU A 15 -14.827 -10.113 -1.593 1.00 0.00 C ATOM 0 H LEU A 15 -11.141 -11.358 -0.215 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.254 -9.030 -1.674 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -12.813 -9.875 1.187 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -13.577 -8.568 0.305 1.00 0.00 H new ATOM 0 HG LEU A 15 -13.870 -11.523 -0.311 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -16.182 -11.212 0.484 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -14.993 -10.870 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -15.801 -9.529 0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -15.624 -10.798 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -15.222 -9.098 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -14.027 -10.153 -2.332 1.00 0.00 H new ATOM 172 N ALA A 16 -10.959 -7.326 -0.290 1.00 0.00 N ATOM 173 CA ALA A 16 -9.982 -6.397 0.266 1.00 0.00 C ATOM 174 C ALA A 16 -10.664 -5.310 1.088 1.00 0.00 C ATOM 175 O ALA A 16 -11.445 -4.516 0.561 1.00 0.00 O ATOM 176 CB ALA A 16 -9.150 -5.777 -0.847 1.00 0.00 C ATOM 0 H ALA A 16 -11.707 -6.883 -0.823 1.00 0.00 H new ATOM 0 HA ALA A 16 -9.322 -6.956 0.929 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.425 -5.086 -0.417 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -8.625 -6.563 -1.390 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.804 -5.238 -1.532 1.00 0.00 H new ATOM 182 N THR A 17 -10.366 -5.278 2.383 1.00 0.00 N ATOM 183 CA THR A 17 -10.952 -4.288 3.278 1.00 0.00 C ATOM 184 C THR A 17 -9.875 -3.565 4.079 1.00 0.00 C ATOM 185 O THR A 17 -9.013 -4.195 4.689 1.00 0.00 O ATOM 186 CB THR A 17 -11.952 -4.937 4.254 1.00 0.00 C ATOM 187 OG1 THR A 17 -11.326 -6.025 4.945 1.00 0.00 O ATOM 188 CG2 THR A 17 -13.182 -5.440 3.514 1.00 0.00 C ATOM 0 H THR A 17 -9.722 -5.927 2.836 1.00 0.00 H new ATOM 0 HA THR A 17 -11.480 -3.569 2.652 1.00 0.00 H new ATOM 0 HB THR A 17 -12.265 -4.181 4.974 1.00 0.00 H new ATOM 0 HG1 THR A 17 -10.381 -5.815 5.097 1.00 0.00 H new ATOM 0 HG21 THR A 17 -13.873 -5.894 4.224 1.00 0.00 H new ATOM 0 HG22 THR A 17 -13.672 -4.605 3.013 1.00 0.00 H new ATOM 0 HG23 THR A 17 -12.883 -6.182 2.774 1.00 0.00 H new ATOM 196 N GLY A 18 -9.931 -2.236 4.072 1.00 0.00 N ATOM 197 CA GLY A 18 -8.955 -1.449 4.801 1.00 0.00 C ATOM 198 C GLY A 18 -8.965 0.011 4.392 1.00 0.00 C ATOM 199 O GLY A 18 -9.376 0.365 3.288 1.00 0.00 O ATOM 0 H GLY A 18 -10.635 -1.691 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -9.156 -1.525 5.870 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -7.961 -1.863 4.634 1.00 0.00 H new ATOM 203 N PRO A 19 -8.506 0.886 5.299 1.00 0.00 N ATOM 204 CA PRO A 19 -8.455 2.330 5.051 1.00 0.00 C ATOM 205 C PRO A 19 -7.401 2.703 4.013 1.00 0.00 C ATOM 206 O PRO A 19 -7.457 3.776 3.416 1.00 0.00 O ATOM 207 CB PRO A 19 -8.089 2.913 6.417 1.00 0.00 C ATOM 208 CG PRO A 19 -7.372 1.812 7.119 1.00 0.00 C ATOM 209 CD PRO A 19 -8.002 0.535 6.637 1.00 0.00 C ATOM 0 HA PRO A 19 -9.396 2.708 4.650 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -7.457 3.795 6.314 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -8.978 3.220 6.967 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -6.306 1.832 6.890 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -7.468 1.911 8.200 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -7.278 -0.278 6.593 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -8.806 0.210 7.297 1.00 0.00 H new ATOM 217 N GLY A 20 -6.441 1.807 3.804 1.00 0.00 N ATOM 218 CA GLY A 20 -5.389 2.060 2.838 1.00 0.00 C ATOM 219 C GLY A 20 -5.867 1.915 1.406 1.00 0.00 C ATOM 220 O GLY A 20 -5.260 2.458 0.483 1.00 0.00 O ATOM 0 H GLY A 20 -6.374 0.911 4.287 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -4.998 3.067 2.987 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.565 1.369 3.014 1.00 0.00 H new ATOM 224 N ILE A 21 -6.958 1.179 1.221 1.00 0.00 N ATOM 225 CA ILE A 21 -7.518 0.964 -0.107 1.00 0.00 C ATOM 226 C ILE A 21 -8.743 1.842 -0.338 1.00 0.00 C ATOM 227 O ILE A 21 -9.554 1.574 -1.223 1.00 0.00 O ATOM 228 CB ILE A 21 -7.909 -0.510 -0.322 1.00 0.00 C ATOM 229 CG1 ILE A 21 -8.954 -0.938 0.712 1.00 0.00 C ATOM 230 CG2 ILE A 21 -6.680 -1.403 -0.239 1.00 0.00 C ATOM 231 CD1 ILE A 21 -9.532 -2.311 0.455 1.00 0.00 C ATOM 0 H ILE A 21 -7.471 0.722 1.974 1.00 0.00 H new ATOM 0 HA ILE A 21 -6.741 1.234 -0.823 1.00 0.00 H new ATOM 0 HB ILE A 21 -8.343 -0.614 -1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.500 -0.924 1.703 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -9.763 -0.208 0.722 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -6.974 -2.441 -0.393 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.965 -1.110 -1.008 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -6.220 -1.298 0.743 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -10.265 -2.548 1.226 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -10.016 -2.325 -0.522 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -8.733 -3.052 0.475 1.00 0.00 H new ATOM 243 N ALA A 22 -8.868 2.894 0.465 1.00 0.00 N ATOM 244 CA ALA A 22 -9.992 3.815 0.346 1.00 0.00 C ATOM 245 C ALA A 22 -9.833 4.722 -0.871 1.00 0.00 C ATOM 246 O ALA A 22 -8.721 5.114 -1.223 1.00 0.00 O ATOM 247 CB ALA A 22 -10.128 4.647 1.612 1.00 0.00 C ATOM 0 H ALA A 22 -8.206 3.129 1.204 1.00 0.00 H new ATOM 0 HA ALA A 22 -10.899 3.226 0.211 1.00 0.00 H new ATOM 0 HB1 ALA A 22 -10.971 5.330 1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 22 -10.296 3.988 2.464 1.00 0.00 H new ATOM 0 HB3 ALA A 22 -9.214 5.219 1.771 1.00 0.00 H new ATOM 253 N SER A 23 -10.952 5.050 -1.508 1.00 0.00 N ATOM 254 CA SER A 23 -10.936 5.906 -2.688 1.00 0.00 C ATOM 255 C SER A 23 -9.940 7.049 -2.516 1.00 0.00 C ATOM 256 O SER A 23 -9.249 7.435 -3.461 1.00 0.00 O ATOM 257 CB SER A 23 -12.333 6.469 -2.955 1.00 0.00 C ATOM 258 OG SER A 23 -13.110 5.564 -3.721 1.00 0.00 O ATOM 0 H SER A 23 -11.881 4.736 -1.227 1.00 0.00 H new ATOM 0 HA SER A 23 -10.626 5.302 -3.541 1.00 0.00 H new ATOM 0 HB2 SER A 23 -12.834 6.672 -2.008 1.00 0.00 H new ATOM 0 HB3 SER A 23 -12.251 7.419 -3.482 1.00 0.00 H new ATOM 0 HG SER A 23 -13.999 5.946 -3.877 1.00 0.00 H new ATOM 264 N THR A 24 -9.869 7.587 -1.303 1.00 0.00 N ATOM 265 CA THR A 24 -8.959 8.685 -1.006 1.00 0.00 C ATOM 266 C THR A 24 -8.308 8.506 0.361 1.00 0.00 C ATOM 267 O THR A 24 -8.896 7.917 1.267 1.00 0.00 O ATOM 268 CB THR A 24 -9.686 10.044 -1.041 1.00 0.00 C ATOM 269 OG1 THR A 24 -10.710 10.075 -0.040 1.00 0.00 O ATOM 270 CG2 THR A 24 -10.300 10.293 -2.410 1.00 0.00 C ATOM 0 H THR A 24 -10.432 7.280 -0.510 1.00 0.00 H new ATOM 0 HA THR A 24 -8.189 8.673 -1.777 1.00 0.00 H new ATOM 0 HB THR A 24 -8.957 10.829 -0.840 1.00 0.00 H new ATOM 0 HG1 THR A 24 -11.167 10.942 -0.066 1.00 0.00 H new ATOM 0 HG21 THR A 24 -10.808 11.258 -2.411 1.00 0.00 H new ATOM 0 HG22 THR A 24 -9.515 10.295 -3.166 1.00 0.00 H new ATOM 0 HG23 THR A 24 -11.018 9.505 -2.635 1.00 0.00 H new ATOM 278 N VAL A 25 -7.089 9.018 0.502 1.00 0.00 N ATOM 279 CA VAL A 25 -6.358 8.916 1.760 1.00 0.00 C ATOM 280 C VAL A 25 -5.559 10.184 2.036 1.00 0.00 C ATOM 281 O VAL A 25 -5.286 10.970 1.128 1.00 0.00 O ATOM 282 CB VAL A 25 -5.400 7.709 1.755 1.00 0.00 C ATOM 283 CG1 VAL A 25 -6.177 6.411 1.592 1.00 0.00 C ATOM 284 CG2 VAL A 25 -4.360 7.860 0.656 1.00 0.00 C ATOM 0 H VAL A 25 -6.587 9.507 -0.239 1.00 0.00 H new ATOM 0 HA VAL A 25 -7.099 8.779 2.547 1.00 0.00 H new ATOM 0 HB VAL A 25 -4.881 7.675 2.713 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -5.484 5.570 1.591 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -6.879 6.301 2.418 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -6.725 6.431 0.650 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -3.692 6.999 0.667 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -4.859 7.920 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.783 8.769 0.824 1.00 0.00 H new ATOM 294 N LYS A 26 -5.185 10.378 3.295 1.00 0.00 N ATOM 295 CA LYS A 26 -4.416 11.551 3.694 1.00 0.00 C ATOM 296 C LYS A 26 -2.917 11.276 3.597 1.00 0.00 C ATOM 297 O LYS A 26 -2.474 10.136 3.735 1.00 0.00 O ATOM 298 CB LYS A 26 -4.777 11.964 5.122 1.00 0.00 C ATOM 299 CG LYS A 26 -5.922 12.959 5.195 1.00 0.00 C ATOM 300 CD LYS A 26 -7.266 12.256 5.296 1.00 0.00 C ATOM 301 CE LYS A 26 -7.862 11.994 3.921 1.00 0.00 C ATOM 302 NZ LYS A 26 -9.254 11.472 4.011 1.00 0.00 N ATOM 0 H LYS A 26 -5.402 9.737 4.058 1.00 0.00 H new ATOM 0 HA LYS A 26 -4.665 12.366 3.014 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -5.043 11.074 5.693 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -3.898 12.398 5.599 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -5.785 13.610 6.058 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -5.909 13.596 4.310 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -7.145 11.312 5.827 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -7.954 12.866 5.882 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -7.857 12.917 3.341 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -7.239 11.277 3.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -9.625 11.306 3.054 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -9.256 10.578 4.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -9.854 12.167 4.499 1.00 0.00 H new ATOM 316 N THR A 27 -2.142 12.330 3.360 1.00 0.00 N ATOM 317 CA THR A 27 -0.694 12.203 3.245 1.00 0.00 C ATOM 318 C THR A 27 -0.027 12.265 4.615 1.00 0.00 C ATOM 319 O THR A 27 -0.578 12.827 5.560 1.00 0.00 O ATOM 320 CB THR A 27 -0.103 13.306 2.348 1.00 0.00 C ATOM 321 OG1 THR A 27 -0.546 14.592 2.795 1.00 0.00 O ATOM 322 CG2 THR A 27 -0.511 13.100 0.897 1.00 0.00 C ATOM 0 H THR A 27 -2.493 13.281 3.244 1.00 0.00 H new ATOM 0 HA THR A 27 -0.496 11.232 2.791 1.00 0.00 H new ATOM 0 HB THR A 27 0.984 13.254 2.415 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.164 15.288 2.220 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.082 13.891 0.282 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.146 12.133 0.550 1.00 0.00 H new ATOM 0 HG23 THR A 27 -1.598 13.128 0.817 1.00 0.00 H new ATOM 330 N GLY A 28 1.165 11.685 4.714 1.00 0.00 N ATOM 331 CA GLY A 28 1.889 11.686 5.971 1.00 0.00 C ATOM 332 C GLY A 28 1.487 10.536 6.874 1.00 0.00 C ATOM 333 O GLY A 28 2.328 9.952 7.556 1.00 0.00 O ATOM 0 H GLY A 28 1.642 11.214 3.945 1.00 0.00 H new ATOM 0 HA2 GLY A 28 2.959 11.629 5.770 1.00 0.00 H new ATOM 0 HA3 GLY A 28 1.711 12.629 6.488 1.00 0.00 H new ATOM 337 N GLU A 29 0.198 10.211 6.877 1.00 0.00 N ATOM 338 CA GLU A 29 -0.313 9.125 7.704 1.00 0.00 C ATOM 339 C GLU A 29 -0.037 7.771 7.056 1.00 0.00 C ATOM 340 O GLU A 29 0.109 7.674 5.838 1.00 0.00 O ATOM 341 CB GLU A 29 -1.816 9.294 7.936 1.00 0.00 C ATOM 342 CG GLU A 29 -2.186 10.613 8.594 1.00 0.00 C ATOM 343 CD GLU A 29 -3.451 10.515 9.424 1.00 0.00 C ATOM 344 OE1 GLU A 29 -3.636 9.484 10.104 1.00 0.00 O ATOM 345 OE2 GLU A 29 -4.257 11.469 9.393 1.00 0.00 O ATOM 0 H GLU A 29 -0.511 10.684 6.316 1.00 0.00 H new ATOM 0 HA GLU A 29 0.202 9.161 8.664 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -2.334 9.217 6.980 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -2.173 8.474 8.559 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -1.363 10.941 9.229 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.318 11.374 7.825 1.00 0.00 H new ATOM 352 N GLU A 30 0.034 6.731 7.880 1.00 0.00 N ATOM 353 CA GLU A 30 0.294 5.383 7.388 1.00 0.00 C ATOM 354 C GLU A 30 -0.962 4.521 7.470 1.00 0.00 C ATOM 355 O GLU A 30 -1.523 4.322 8.548 1.00 0.00 O ATOM 356 CB GLU A 30 1.425 4.734 8.188 1.00 0.00 C ATOM 357 CG GLU A 30 1.648 3.269 7.848 1.00 0.00 C ATOM 358 CD GLU A 30 3.040 2.791 8.213 1.00 0.00 C ATOM 359 OE1 GLU A 30 3.460 3.014 9.368 1.00 0.00 O ATOM 360 OE2 GLU A 30 3.709 2.194 7.344 1.00 0.00 O ATOM 0 H GLU A 30 -0.085 6.796 8.891 1.00 0.00 H new ATOM 0 HA GLU A 30 0.594 5.457 6.343 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.348 5.285 8.008 1.00 0.00 H new ATOM 0 HB3 GLU A 30 1.203 4.822 9.252 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.910 2.662 8.372 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.484 3.118 6.781 1.00 0.00 H new ATOM 367 N VAL A 31 -1.400 4.012 6.322 1.00 0.00 N ATOM 368 CA VAL A 31 -2.589 3.172 6.263 1.00 0.00 C ATOM 369 C VAL A 31 -2.232 1.701 6.446 1.00 0.00 C ATOM 370 O VAL A 31 -1.059 1.333 6.457 1.00 0.00 O ATOM 371 CB VAL A 31 -3.334 3.346 4.926 1.00 0.00 C ATOM 372 CG1 VAL A 31 -3.953 4.732 4.835 1.00 0.00 C ATOM 373 CG2 VAL A 31 -2.392 3.096 3.757 1.00 0.00 C ATOM 0 H VAL A 31 -0.948 4.167 5.421 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.241 3.489 7.077 1.00 0.00 H new ATOM 0 HB VAL A 31 -4.139 2.612 4.880 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -4.475 4.836 3.884 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.660 4.869 5.653 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -3.169 5.486 4.903 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.934 3.223 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.566 3.806 3.797 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.001 2.080 3.816 1.00 0.00 H new ATOM 383 N GLY A 32 -3.254 0.863 6.590 1.00 0.00 N ATOM 384 CA GLY A 32 -3.029 -0.559 6.770 1.00 0.00 C ATOM 385 C GLY A 32 -4.255 -1.387 6.442 1.00 0.00 C ATOM 386 O GLY A 32 -5.185 -1.476 7.242 1.00 0.00 O ATOM 0 H GLY A 32 -4.235 1.144 6.585 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -2.201 -0.876 6.136 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -2.732 -0.749 7.801 1.00 0.00 H new ATOM 390 N PHE A 33 -4.256 -1.995 5.259 1.00 0.00 N ATOM 391 CA PHE A 33 -5.379 -2.819 4.825 1.00 0.00 C ATOM 392 C PHE A 33 -5.024 -4.302 4.894 1.00 0.00 C ATOM 393 O PHE A 33 -3.858 -4.678 4.777 1.00 0.00 O ATOM 394 CB PHE A 33 -5.791 -2.446 3.399 1.00 0.00 C ATOM 395 CG PHE A 33 -4.728 -2.727 2.376 1.00 0.00 C ATOM 396 CD1 PHE A 33 -3.754 -1.784 2.093 1.00 0.00 C ATOM 397 CD2 PHE A 33 -4.704 -3.935 1.697 1.00 0.00 C ATOM 398 CE1 PHE A 33 -2.774 -2.040 1.152 1.00 0.00 C ATOM 399 CE2 PHE A 33 -3.727 -4.196 0.755 1.00 0.00 C ATOM 400 CZ PHE A 33 -2.762 -3.247 0.481 1.00 0.00 C ATOM 0 H PHE A 33 -3.493 -1.933 4.585 1.00 0.00 H new ATOM 0 HA PHE A 33 -6.216 -2.633 5.498 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.694 -2.997 3.134 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.043 -1.386 3.368 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.760 -0.838 2.613 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.457 -4.680 1.906 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -2.019 -1.297 0.942 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.718 -5.142 0.233 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.999 -3.448 -0.257 1.00 0.00 H new ATOM 410 N VAL A 34 -6.039 -5.138 5.085 1.00 0.00 N ATOM 411 CA VAL A 34 -5.836 -6.580 5.168 1.00 0.00 C ATOM 412 C VAL A 34 -6.791 -7.324 4.242 1.00 0.00 C ATOM 413 O VAL A 34 -7.960 -6.960 4.116 1.00 0.00 O ATOM 414 CB VAL A 34 -6.031 -7.092 6.607 1.00 0.00 C ATOM 415 CG1 VAL A 34 -7.465 -6.870 7.064 1.00 0.00 C ATOM 416 CG2 VAL A 34 -5.653 -8.562 6.705 1.00 0.00 C ATOM 0 H VAL A 34 -7.010 -4.842 5.185 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.809 -6.773 4.857 1.00 0.00 H new ATOM 0 HB VAL A 34 -5.373 -6.526 7.267 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.583 -7.238 8.083 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -7.696 -5.805 7.034 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -8.145 -7.407 6.403 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.797 -8.907 7.729 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.283 -9.145 6.033 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.608 -8.688 6.423 1.00 0.00 H new ATOM 426 N VAL A 35 -6.285 -8.371 3.596 1.00 0.00 N ATOM 427 CA VAL A 35 -7.095 -9.168 2.682 1.00 0.00 C ATOM 428 C VAL A 35 -7.823 -10.282 3.424 1.00 0.00 C ATOM 429 O VAL A 35 -7.233 -10.990 4.239 1.00 0.00 O ATOM 430 CB VAL A 35 -6.233 -9.787 1.566 1.00 0.00 C ATOM 431 CG1 VAL A 35 -7.028 -10.829 0.792 1.00 0.00 C ATOM 432 CG2 VAL A 35 -5.710 -8.705 0.634 1.00 0.00 C ATOM 0 H VAL A 35 -5.319 -8.686 3.689 1.00 0.00 H new ATOM 0 HA VAL A 35 -7.827 -8.495 2.235 1.00 0.00 H new ATOM 0 HB VAL A 35 -5.378 -10.284 2.025 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -6.402 -11.255 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -7.349 -11.620 1.470 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -7.903 -10.359 0.343 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -5.103 -9.161 -0.148 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -6.550 -8.178 0.181 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -5.102 -8.000 1.200 1.00 0.00 H new ATOM 442 N ASP A 36 -9.112 -10.434 3.134 1.00 0.00 N ATOM 443 CA ASP A 36 -9.923 -11.463 3.773 1.00 0.00 C ATOM 444 C ASP A 36 -10.365 -12.513 2.758 1.00 0.00 C ATOM 445 O ASP A 36 -10.791 -12.181 1.653 1.00 0.00 O ATOM 446 CB ASP A 36 -11.147 -10.837 4.443 1.00 0.00 C ATOM 447 CG ASP A 36 -11.606 -11.620 5.657 1.00 0.00 C ATOM 448 OD1 ASP A 36 -10.740 -12.144 6.389 1.00 0.00 O ATOM 449 OD2 ASP A 36 -12.833 -11.709 5.876 1.00 0.00 O ATOM 0 H ASP A 36 -9.616 -9.857 2.461 1.00 0.00 H new ATOM 0 HA ASP A 36 -9.313 -11.951 4.533 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -10.912 -9.815 4.741 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.962 -10.779 3.722 1.00 0.00 H new ATOM 454 N ALA A 37 -10.260 -13.781 3.142 1.00 0.00 N ATOM 455 CA ALA A 37 -10.650 -14.879 2.267 1.00 0.00 C ATOM 456 C ALA A 37 -11.645 -15.805 2.957 1.00 0.00 C ATOM 457 O ALA A 37 -11.407 -16.269 4.072 1.00 0.00 O ATOM 458 CB ALA A 37 -9.422 -15.660 1.819 1.00 0.00 C ATOM 0 H ALA A 37 -9.908 -14.073 4.054 1.00 0.00 H new ATOM 0 HA ALA A 37 -11.137 -14.455 1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.729 -16.477 1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -8.747 -14.997 1.278 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.910 -16.066 2.692 1.00 0.00 H new ATOM 464 N LYS A 38 -12.763 -16.069 2.288 1.00 0.00 N ATOM 465 CA LYS A 38 -13.796 -16.941 2.836 1.00 0.00 C ATOM 466 C LYS A 38 -13.949 -18.202 1.992 1.00 0.00 C ATOM 467 O LYS A 38 -13.992 -19.313 2.519 1.00 0.00 O ATOM 468 CB LYS A 38 -15.131 -16.198 2.911 1.00 0.00 C ATOM 469 CG LYS A 38 -15.362 -15.243 1.753 1.00 0.00 C ATOM 470 CD LYS A 38 -16.595 -14.384 1.974 1.00 0.00 C ATOM 471 CE LYS A 38 -17.872 -15.152 1.668 1.00 0.00 C ATOM 472 NZ LYS A 38 -18.380 -15.882 2.862 1.00 0.00 N ATOM 0 H LYS A 38 -12.977 -15.691 1.365 1.00 0.00 H new ATOM 0 HA LYS A 38 -13.493 -17.234 3.841 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.941 -16.926 2.937 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -15.174 -15.639 3.846 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -14.489 -14.602 1.629 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -15.474 -15.811 0.829 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -16.617 -14.036 3.007 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -16.541 -13.499 1.341 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -18.636 -14.460 1.313 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -17.685 -15.861 0.861 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -18.510 -16.886 2.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -17.695 -15.796 3.639 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.291 -15.475 3.156 1.00 0.00 H new ATOM 486 N THR A 39 -14.031 -18.021 0.677 1.00 0.00 N ATOM 487 CA THR A 39 -14.179 -19.143 -0.240 1.00 0.00 C ATOM 488 C THR A 39 -13.048 -19.171 -1.263 1.00 0.00 C ATOM 489 O THR A 39 -12.849 -20.168 -1.956 1.00 0.00 O ATOM 490 CB THR A 39 -15.527 -19.088 -0.984 1.00 0.00 C ATOM 491 OG1 THR A 39 -15.536 -20.040 -2.052 1.00 0.00 O ATOM 492 CG2 THR A 39 -15.782 -17.693 -1.537 1.00 0.00 C ATOM 0 H THR A 39 -13.997 -17.108 0.224 1.00 0.00 H new ATOM 0 HA THR A 39 -14.142 -20.050 0.363 1.00 0.00 H new ATOM 0 HB THR A 39 -16.319 -19.331 -0.276 1.00 0.00 H new ATOM 0 HG1 THR A 39 -14.710 -20.567 -2.028 1.00 0.00 H new ATOM 0 HG21 THR A 39 -16.739 -17.678 -2.058 1.00 0.00 H new ATOM 0 HG22 THR A 39 -15.804 -16.975 -0.717 1.00 0.00 H new ATOM 0 HG23 THR A 39 -14.986 -17.426 -2.232 1.00 0.00 H new ATOM 500 N ALA A 40 -12.310 -18.069 -1.352 1.00 0.00 N ATOM 501 CA ALA A 40 -11.198 -17.969 -2.287 1.00 0.00 C ATOM 502 C ALA A 40 -10.356 -19.240 -2.279 1.00 0.00 C ATOM 503 O ALA A 40 -9.928 -19.720 -3.328 1.00 0.00 O ATOM 504 CB ALA A 40 -10.335 -16.760 -1.954 1.00 0.00 C ATOM 0 H ALA A 40 -12.463 -17.233 -0.787 1.00 0.00 H new ATOM 0 HA ALA A 40 -11.609 -17.844 -3.289 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.508 -16.698 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.937 -15.854 -2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.941 -16.862 -0.943 1.00 0.00 H new ATOM 510 N GLY A 41 -10.121 -19.781 -1.087 1.00 0.00 N ATOM 511 CA GLY A 41 -9.330 -20.991 -0.965 1.00 0.00 C ATOM 512 C GLY A 41 -7.870 -20.704 -0.678 1.00 0.00 C ATOM 513 O GLY A 41 -7.548 -19.912 0.207 1.00 0.00 O ATOM 0 H GLY A 41 -10.464 -19.403 -0.204 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -9.739 -21.610 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -9.409 -21.567 -1.887 1.00 0.00 H new ATOM 517 N LYS A 42 -6.983 -21.350 -1.428 1.00 0.00 N ATOM 518 CA LYS A 42 -5.549 -21.160 -1.250 1.00 0.00 C ATOM 519 C LYS A 42 -4.990 -20.212 -2.306 1.00 0.00 C ATOM 520 O LYS A 42 -5.486 -20.157 -3.430 1.00 0.00 O ATOM 521 CB LYS A 42 -4.823 -22.507 -1.324 1.00 0.00 C ATOM 522 CG LYS A 42 -3.488 -22.518 -0.598 1.00 0.00 C ATOM 523 CD LYS A 42 -2.670 -23.748 -0.955 1.00 0.00 C ATOM 524 CE LYS A 42 -1.796 -23.501 -2.176 1.00 0.00 C ATOM 525 NZ LYS A 42 -0.579 -22.712 -1.836 1.00 0.00 N ATOM 0 H LYS A 42 -7.233 -22.010 -2.165 1.00 0.00 H new ATOM 0 HA LYS A 42 -5.386 -20.718 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -5.464 -23.280 -0.900 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -4.661 -22.766 -2.370 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -2.926 -21.619 -0.853 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.658 -22.492 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -2.043 -24.028 -0.108 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -3.338 -24.587 -1.148 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -1.500 -24.456 -2.610 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -2.372 -22.971 -2.934 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 0.127 -22.820 -2.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -0.832 -21.708 -1.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -0.181 -23.057 -0.939 1.00 0.00 H new ATOM 539 N GLY A 43 -3.953 -19.466 -1.936 1.00 0.00 N ATOM 540 CA GLY A 43 -3.344 -18.531 -2.863 1.00 0.00 C ATOM 541 C GLY A 43 -2.457 -17.518 -2.165 1.00 0.00 C ATOM 542 O GLY A 43 -2.692 -17.167 -1.010 1.00 0.00 O ATOM 0 H GLY A 43 -3.524 -19.493 -1.011 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -2.754 -19.082 -3.596 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -4.126 -18.007 -3.412 1.00 0.00 H new ATOM 546 N LYS A 44 -1.433 -17.046 -2.869 1.00 0.00 N ATOM 547 CA LYS A 44 -0.506 -16.069 -2.312 1.00 0.00 C ATOM 548 C LYS A 44 -0.942 -14.648 -2.658 1.00 0.00 C ATOM 549 O LYS A 44 -1.239 -14.343 -3.813 1.00 0.00 O ATOM 550 CB LYS A 44 0.910 -16.320 -2.835 1.00 0.00 C ATOM 551 CG LYS A 44 1.538 -17.595 -2.299 1.00 0.00 C ATOM 552 CD LYS A 44 1.231 -18.786 -3.191 1.00 0.00 C ATOM 553 CE LYS A 44 1.179 -20.081 -2.395 1.00 0.00 C ATOM 554 NZ LYS A 44 2.541 -20.574 -2.048 1.00 0.00 N ATOM 0 H LYS A 44 -1.225 -17.325 -3.828 1.00 0.00 H new ATOM 0 HA LYS A 44 -0.510 -16.179 -1.228 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.883 -16.368 -3.924 1.00 0.00 H new ATOM 0 HB3 LYS A 44 1.542 -15.473 -2.568 1.00 0.00 H new ATOM 0 HG2 LYS A 44 2.618 -17.465 -2.222 1.00 0.00 H new ATOM 0 HG3 LYS A 44 1.168 -17.788 -1.292 1.00 0.00 H new ATOM 0 HD2 LYS A 44 0.277 -18.629 -3.694 1.00 0.00 H new ATOM 0 HD3 LYS A 44 1.992 -18.866 -3.968 1.00 0.00 H new ATOM 0 HE2 LYS A 44 0.606 -19.923 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 44 0.654 -20.842 -2.973 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 2.463 -21.458 -1.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 3.079 -20.749 -2.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 3.033 -19.859 -1.475 1.00 0.00 H new ATOM 568 N VAL A 45 -0.977 -13.783 -1.649 1.00 0.00 N ATOM 569 CA VAL A 45 -1.375 -12.394 -1.848 1.00 0.00 C ATOM 570 C VAL A 45 -0.165 -11.466 -1.807 1.00 0.00 C ATOM 571 O VAL A 45 0.449 -11.274 -0.758 1.00 0.00 O ATOM 572 CB VAL A 45 -2.390 -11.942 -0.781 1.00 0.00 C ATOM 573 CG1 VAL A 45 -2.778 -10.488 -0.994 1.00 0.00 C ATOM 574 CG2 VAL A 45 -3.619 -12.839 -0.803 1.00 0.00 C ATOM 0 H VAL A 45 -0.735 -14.019 -0.687 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.843 -12.336 -2.831 1.00 0.00 H new ATOM 0 HB VAL A 45 -1.922 -12.027 0.200 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.496 -10.187 -0.231 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.890 -9.860 -0.924 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.228 -10.372 -1.980 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -4.326 -12.506 -0.043 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -4.090 -12.787 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -3.323 -13.867 -0.597 1.00 0.00 H new ATOM 584 N THR A 46 0.171 -10.891 -2.957 1.00 0.00 N ATOM 585 CA THR A 46 1.306 -9.983 -3.055 1.00 0.00 C ATOM 586 C THR A 46 0.844 -8.538 -3.202 1.00 0.00 C ATOM 587 O THR A 46 -0.139 -8.258 -3.888 1.00 0.00 O ATOM 588 CB THR A 46 2.213 -10.343 -4.246 1.00 0.00 C ATOM 589 OG1 THR A 46 1.430 -10.469 -5.438 1.00 0.00 O ATOM 590 CG2 THR A 46 2.959 -11.643 -3.985 1.00 0.00 C ATOM 0 H THR A 46 -0.328 -11.038 -3.834 1.00 0.00 H new ATOM 0 HA THR A 46 1.874 -10.088 -2.131 1.00 0.00 H new ATOM 0 HB THR A 46 2.942 -9.543 -4.373 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.015 -10.696 -6.191 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.593 -11.877 -4.840 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.577 -11.535 -3.094 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.242 -12.450 -3.834 1.00 0.00 H new ATOM 598 N CYS A 47 1.559 -7.624 -2.555 1.00 0.00 N ATOM 599 CA CYS A 47 1.222 -6.206 -2.614 1.00 0.00 C ATOM 600 C CYS A 47 2.391 -5.390 -3.155 1.00 0.00 C ATOM 601 O CYS A 47 3.552 -5.679 -2.861 1.00 0.00 O ATOM 602 CB CYS A 47 0.826 -5.697 -1.228 1.00 0.00 C ATOM 603 SG CYS A 47 0.474 -3.924 -1.166 1.00 0.00 S ATOM 0 H CYS A 47 2.376 -7.840 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 47 0.377 -6.087 -3.292 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.054 -6.243 -0.890 1.00 0.00 H new ATOM 0 HB3 CYS A 47 1.630 -5.922 -0.527 1.00 0.00 H new ATOM 0 HG CYS A 47 1.591 -3.262 -1.107 1.00 0.00 H new ATOM 609 N THR A 48 2.079 -4.371 -3.949 1.00 0.00 N ATOM 610 CA THR A 48 3.104 -3.515 -4.533 1.00 0.00 C ATOM 611 C THR A 48 2.611 -2.079 -4.665 1.00 0.00 C ATOM 612 O THR A 48 1.756 -1.779 -5.497 1.00 0.00 O ATOM 613 CB THR A 48 3.537 -4.026 -5.920 1.00 0.00 C ATOM 614 OG1 THR A 48 3.829 -5.427 -5.858 1.00 0.00 O ATOM 615 CG2 THR A 48 4.762 -3.270 -6.416 1.00 0.00 C ATOM 0 H THR A 48 1.124 -4.118 -4.203 1.00 0.00 H new ATOM 0 HA THR A 48 3.960 -3.542 -3.859 1.00 0.00 H new ATOM 0 HB THR A 48 2.716 -3.857 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.102 -5.744 -6.744 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.050 -3.648 -7.397 1.00 0.00 H new ATOM 0 HG22 THR A 48 4.529 -2.208 -6.490 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.586 -3.413 -5.716 1.00 0.00 H new ATOM 623 N VAL A 49 3.157 -1.193 -3.837 1.00 0.00 N ATOM 624 CA VAL A 49 2.774 0.214 -3.863 1.00 0.00 C ATOM 625 C VAL A 49 3.577 0.983 -4.906 1.00 0.00 C ATOM 626 O VAL A 49 4.805 1.050 -4.835 1.00 0.00 O ATOM 627 CB VAL A 49 2.975 0.874 -2.486 1.00 0.00 C ATOM 628 CG1 VAL A 49 2.582 2.343 -2.536 1.00 0.00 C ATOM 629 CG2 VAL A 49 2.178 0.137 -1.420 1.00 0.00 C ATOM 0 H VAL A 49 3.865 -1.425 -3.141 1.00 0.00 H new ATOM 0 HA VAL A 49 1.717 0.251 -4.125 1.00 0.00 H new ATOM 0 HB VAL A 49 4.031 0.813 -2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.731 2.793 -1.554 1.00 0.00 H new ATOM 0 HG12 VAL A 49 3.200 2.860 -3.270 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.533 2.430 -2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.332 0.617 -0.454 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.118 0.164 -1.674 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.512 -0.899 -1.368 1.00 0.00 H new ATOM 639 N LEU A 50 2.877 1.563 -5.873 1.00 0.00 N ATOM 640 CA LEU A 50 3.524 2.330 -6.932 1.00 0.00 C ATOM 641 C LEU A 50 3.350 3.828 -6.704 1.00 0.00 C ATOM 642 O LEU A 50 2.251 4.365 -6.843 1.00 0.00 O ATOM 643 CB LEU A 50 2.949 1.941 -8.296 1.00 0.00 C ATOM 644 CG LEU A 50 3.853 2.196 -9.502 1.00 0.00 C ATOM 645 CD1 LEU A 50 3.558 1.197 -10.611 1.00 0.00 C ATOM 646 CD2 LEU A 50 3.679 3.622 -10.006 1.00 0.00 C ATOM 0 H LEU A 50 1.861 1.517 -5.946 1.00 0.00 H new ATOM 0 HA LEU A 50 4.589 2.099 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 50 2.698 0.881 -8.273 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.017 2.486 -8.444 1.00 0.00 H new ATOM 0 HG LEU A 50 4.889 2.066 -9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.211 1.394 -11.461 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.733 0.185 -10.245 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.518 1.295 -10.922 1.00 0.00 H new ATOM 0 HD21 LEU A 50 4.330 3.786 -10.865 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.642 3.779 -10.302 1.00 0.00 H new ATOM 0 HD23 LEU A 50 3.941 4.323 -9.213 1.00 0.00 H new ATOM 658 N THR A 51 4.443 4.500 -6.354 1.00 0.00 N ATOM 659 CA THR A 51 4.412 5.935 -6.108 1.00 0.00 C ATOM 660 C THR A 51 4.058 6.704 -7.376 1.00 0.00 C ATOM 661 O THR A 51 4.375 6.289 -8.492 1.00 0.00 O ATOM 662 CB THR A 51 5.765 6.443 -5.576 1.00 0.00 C ATOM 663 OG1 THR A 51 6.790 6.224 -6.551 1.00 0.00 O ATOM 664 CG2 THR A 51 6.134 5.740 -4.278 1.00 0.00 C ATOM 0 H THR A 51 5.361 4.072 -6.235 1.00 0.00 H new ATOM 0 HA THR A 51 3.644 6.109 -5.354 1.00 0.00 H new ATOM 0 HB THR A 51 5.675 7.511 -5.380 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.781 5.284 -6.829 1.00 0.00 H new ATOM 0 HG21 THR A 51 7.093 6.115 -3.921 1.00 0.00 H new ATOM 0 HG22 THR A 51 5.367 5.934 -3.528 1.00 0.00 H new ATOM 0 HG23 THR A 51 6.207 4.667 -4.453 1.00 0.00 H new ATOM 672 N PRO A 52 3.385 7.851 -7.206 1.00 0.00 N ATOM 673 CA PRO A 52 2.974 8.702 -8.326 1.00 0.00 C ATOM 674 C PRO A 52 4.159 9.383 -9.002 1.00 0.00 C ATOM 675 O PRO A 52 3.998 10.087 -9.999 1.00 0.00 O ATOM 676 CB PRO A 52 2.064 9.742 -7.668 1.00 0.00 C ATOM 677 CG PRO A 52 2.518 9.798 -6.249 1.00 0.00 C ATOM 678 CD PRO A 52 2.974 8.407 -5.906 1.00 0.00 C ATOM 0 HA PRO A 52 2.487 8.129 -9.115 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.158 10.714 -8.153 1.00 0.00 H new ATOM 0 HB3 PRO A 52 1.016 9.451 -7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.329 10.516 -6.127 1.00 0.00 H new ATOM 0 HG3 PRO A 52 1.708 10.117 -5.592 1.00 0.00 H new ATOM 0 HD2 PRO A 52 3.800 8.419 -5.195 1.00 0.00 H new ATOM 0 HD3 PRO A 52 2.173 7.822 -5.454 1.00 0.00 H new ATOM 686 N ASP A 53 5.350 9.170 -8.453 1.00 0.00 N ATOM 687 CA ASP A 53 6.564 9.763 -9.004 1.00 0.00 C ATOM 688 C ASP A 53 7.054 8.972 -10.212 1.00 0.00 C ATOM 689 O ASP A 53 7.642 9.532 -11.137 1.00 0.00 O ATOM 690 CB ASP A 53 7.658 9.819 -7.937 1.00 0.00 C ATOM 691 CG ASP A 53 7.537 11.040 -7.047 1.00 0.00 C ATOM 692 OD1 ASP A 53 6.842 10.954 -6.013 1.00 0.00 O ATOM 693 OD2 ASP A 53 8.138 12.081 -7.384 1.00 0.00 O ATOM 0 H ASP A 53 5.501 8.591 -7.627 1.00 0.00 H new ATOM 0 HA ASP A 53 6.330 10.777 -9.327 1.00 0.00 H new ATOM 0 HB2 ASP A 53 7.609 8.919 -7.323 1.00 0.00 H new ATOM 0 HB3 ASP A 53 8.634 9.822 -8.422 1.00 0.00 H new ATOM 698 N GLY A 54 6.809 7.664 -10.198 1.00 0.00 N ATOM 699 CA GLY A 54 7.233 6.819 -11.298 1.00 0.00 C ATOM 700 C GLY A 54 8.171 5.715 -10.850 1.00 0.00 C ATOM 701 O GLY A 54 8.908 5.150 -11.660 1.00 0.00 O ATOM 0 H GLY A 54 6.325 7.176 -9.445 1.00 0.00 H new ATOM 0 HA2 GLY A 54 6.357 6.377 -11.772 1.00 0.00 H new ATOM 0 HA3 GLY A 54 7.729 7.430 -12.052 1.00 0.00 H new ATOM 705 N THR A 55 8.146 5.405 -9.558 1.00 0.00 N ATOM 706 CA THR A 55 9.002 4.365 -9.004 1.00 0.00 C ATOM 707 C THR A 55 8.209 3.418 -8.109 1.00 0.00 C ATOM 708 O THR A 55 7.047 3.675 -7.796 1.00 0.00 O ATOM 709 CB THR A 55 10.164 4.966 -8.193 1.00 0.00 C ATOM 710 OG1 THR A 55 10.519 4.087 -7.119 1.00 0.00 O ATOM 711 CG2 THR A 55 9.787 6.329 -7.635 1.00 0.00 C ATOM 0 H THR A 55 7.541 5.861 -8.875 1.00 0.00 H new ATOM 0 HA THR A 55 9.408 3.808 -9.848 1.00 0.00 H new ATOM 0 HB THR A 55 11.018 5.088 -8.860 1.00 0.00 H new ATOM 0 HG1 THR A 55 11.260 4.476 -6.609 1.00 0.00 H new ATOM 0 HG21 THR A 55 10.624 6.733 -7.066 1.00 0.00 H new ATOM 0 HG22 THR A 55 9.546 7.004 -8.456 1.00 0.00 H new ATOM 0 HG23 THR A 55 8.920 6.228 -6.982 1.00 0.00 H new ATOM 719 N GLU A 56 8.845 2.324 -7.701 1.00 0.00 N ATOM 720 CA GLU A 56 8.198 1.341 -6.841 1.00 0.00 C ATOM 721 C GLU A 56 8.463 1.645 -5.370 1.00 0.00 C ATOM 722 O GLU A 56 9.497 2.212 -5.019 1.00 0.00 O ATOM 723 CB GLU A 56 8.690 -0.067 -7.179 1.00 0.00 C ATOM 724 CG GLU A 56 8.301 -0.531 -8.574 1.00 0.00 C ATOM 725 CD GLU A 56 9.263 -0.044 -9.639 1.00 0.00 C ATOM 726 OE1 GLU A 56 10.477 0.026 -9.354 1.00 0.00 O ATOM 727 OE2 GLU A 56 8.803 0.266 -10.758 1.00 0.00 O ATOM 0 H GLU A 56 9.807 2.097 -7.952 1.00 0.00 H new ATOM 0 HA GLU A 56 7.124 1.395 -7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 56 9.776 -0.095 -7.086 1.00 0.00 H new ATOM 0 HB3 GLU A 56 8.289 -0.768 -6.447 1.00 0.00 H new ATOM 0 HG2 GLU A 56 8.264 -1.620 -8.594 1.00 0.00 H new ATOM 0 HG3 GLU A 56 7.297 -0.174 -8.805 1.00 0.00 H new ATOM 734 N ALA A 57 7.521 1.265 -4.513 1.00 0.00 N ATOM 735 CA ALA A 57 7.652 1.495 -3.080 1.00 0.00 C ATOM 736 C ALA A 57 7.620 0.181 -2.308 1.00 0.00 C ATOM 737 O ALA A 57 7.141 -0.834 -2.813 1.00 0.00 O ATOM 738 CB ALA A 57 6.552 2.423 -2.591 1.00 0.00 C ATOM 0 H ALA A 57 6.658 0.796 -4.787 1.00 0.00 H new ATOM 0 HA ALA A 57 8.617 1.968 -2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 57 6.663 2.585 -1.519 1.00 0.00 H new ATOM 0 HB2 ALA A 57 6.623 3.378 -3.112 1.00 0.00 H new ATOM 0 HB3 ALA A 57 5.580 1.972 -2.791 1.00 0.00 H new ATOM 744 N GLU A 58 8.134 0.207 -1.082 1.00 0.00 N ATOM 745 CA GLU A 58 8.165 -0.984 -0.242 1.00 0.00 C ATOM 746 C GLU A 58 6.864 -1.131 0.542 1.00 0.00 C ATOM 747 O GLU A 58 6.383 -0.177 1.152 1.00 0.00 O ATOM 748 CB GLU A 58 9.350 -0.924 0.724 1.00 0.00 C ATOM 749 CG GLU A 58 9.305 0.262 1.672 1.00 0.00 C ATOM 750 CD GLU A 58 10.515 0.330 2.582 1.00 0.00 C ATOM 751 OE1 GLU A 58 10.606 -0.500 3.510 1.00 0.00 O ATOM 752 OE2 GLU A 58 11.372 1.212 2.365 1.00 0.00 O ATOM 0 H GLU A 58 8.534 1.039 -0.649 1.00 0.00 H new ATOM 0 HA GLU A 58 8.278 -1.852 -0.892 1.00 0.00 H new ATOM 0 HB2 GLU A 58 9.378 -1.844 1.308 1.00 0.00 H new ATOM 0 HB3 GLU A 58 10.275 -0.883 0.149 1.00 0.00 H new ATOM 0 HG2 GLU A 58 9.239 1.183 1.092 1.00 0.00 H new ATOM 0 HG3 GLU A 58 8.402 0.202 2.279 1.00 0.00 H new ATOM 759 N ALA A 59 6.298 -2.333 0.519 1.00 0.00 N ATOM 760 CA ALA A 59 5.055 -2.606 1.229 1.00 0.00 C ATOM 761 C ALA A 59 5.212 -3.788 2.179 1.00 0.00 C ATOM 762 O ALA A 59 5.467 -4.913 1.750 1.00 0.00 O ATOM 763 CB ALA A 59 3.929 -2.869 0.238 1.00 0.00 C ATOM 0 H ALA A 59 6.681 -3.134 0.016 1.00 0.00 H new ATOM 0 HA ALA A 59 4.805 -1.727 1.824 1.00 0.00 H new ATOM 0 HB1 ALA A 59 3.006 -3.072 0.781 1.00 0.00 H new ATOM 0 HB2 ALA A 59 3.792 -1.994 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 59 4.182 -3.730 -0.380 1.00 0.00 H new ATOM 769 N ASP A 60 5.057 -3.526 3.473 1.00 0.00 N ATOM 770 CA ASP A 60 5.183 -4.568 4.484 1.00 0.00 C ATOM 771 C ASP A 60 4.019 -5.551 4.398 1.00 0.00 C ATOM 772 O ASP A 60 2.859 -5.150 4.316 1.00 0.00 O ATOM 773 CB ASP A 60 5.240 -3.948 5.881 1.00 0.00 C ATOM 774 CG ASP A 60 6.370 -2.947 6.024 1.00 0.00 C ATOM 775 OD1 ASP A 60 7.544 -3.362 5.942 1.00 0.00 O ATOM 776 OD2 ASP A 60 6.079 -1.747 6.219 1.00 0.00 O ATOM 0 H ASP A 60 4.844 -2.601 3.845 1.00 0.00 H new ATOM 0 HA ASP A 60 6.109 -5.111 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 60 4.292 -3.455 6.095 1.00 0.00 H new ATOM 0 HB3 ASP A 60 5.363 -4.738 6.622 1.00 0.00 H new ATOM 781 N VAL A 61 4.340 -6.841 4.416 1.00 0.00 N ATOM 782 CA VAL A 61 3.320 -7.882 4.340 1.00 0.00 C ATOM 783 C VAL A 61 3.409 -8.826 5.535 1.00 0.00 C ATOM 784 O VAL A 61 4.497 -9.254 5.921 1.00 0.00 O ATOM 785 CB VAL A 61 3.451 -8.702 3.042 1.00 0.00 C ATOM 786 CG1 VAL A 61 2.372 -9.771 2.976 1.00 0.00 C ATOM 787 CG2 VAL A 61 3.385 -7.789 1.828 1.00 0.00 C ATOM 0 H VAL A 61 5.296 -7.190 4.482 1.00 0.00 H new ATOM 0 HA VAL A 61 2.353 -7.379 4.348 1.00 0.00 H new ATOM 0 HB VAL A 61 4.421 -9.199 3.041 1.00 0.00 H new ATOM 0 HG11 VAL A 61 2.480 -10.340 2.053 1.00 0.00 H new ATOM 0 HG12 VAL A 61 2.471 -10.442 3.830 1.00 0.00 H new ATOM 0 HG13 VAL A 61 1.390 -9.299 2.998 1.00 0.00 H new ATOM 0 HG21 VAL A 61 3.479 -8.384 0.920 1.00 0.00 H new ATOM 0 HG22 VAL A 61 2.430 -7.263 1.820 1.00 0.00 H new ATOM 0 HG23 VAL A 61 4.198 -7.065 1.873 1.00 0.00 H new ATOM 797 N ILE A 62 2.257 -9.145 6.116 1.00 0.00 N ATOM 798 CA ILE A 62 2.205 -10.039 7.266 1.00 0.00 C ATOM 799 C ILE A 62 1.209 -11.171 7.036 1.00 0.00 C ATOM 800 O ILE A 62 -0.002 -10.953 7.026 1.00 0.00 O ATOM 801 CB ILE A 62 1.818 -9.283 8.550 1.00 0.00 C ATOM 802 CG1 ILE A 62 2.805 -8.144 8.814 1.00 0.00 C ATOM 803 CG2 ILE A 62 1.773 -10.237 9.734 1.00 0.00 C ATOM 804 CD1 ILE A 62 2.409 -6.838 8.162 1.00 0.00 C ATOM 0 H ILE A 62 1.348 -8.798 5.809 1.00 0.00 H new ATOM 0 HA ILE A 62 3.205 -10.456 7.388 1.00 0.00 H new ATOM 0 HB ILE A 62 0.825 -8.855 8.416 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.892 -7.992 9.890 1.00 0.00 H new ATOM 0 HG13 ILE A 62 3.791 -8.437 8.452 1.00 0.00 H new ATOM 0 HG21 ILE A 62 1.498 -9.687 10.634 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.035 -11.017 9.545 1.00 0.00 H new ATOM 0 HG23 ILE A 62 2.754 -10.692 9.872 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.154 -6.076 8.392 1.00 0.00 H new ATOM 0 HD12 ILE A 62 2.350 -6.974 7.082 1.00 0.00 H new ATOM 0 HD13 ILE A 62 1.438 -6.522 8.542 1.00 0.00 H new ATOM 816 N GLU A 63 1.728 -12.381 6.855 1.00 0.00 N ATOM 817 CA GLU A 63 0.884 -13.548 6.627 1.00 0.00 C ATOM 818 C GLU A 63 0.342 -14.094 7.945 1.00 0.00 C ATOM 819 O GLU A 63 1.051 -14.135 8.950 1.00 0.00 O ATOM 820 CB GLU A 63 1.669 -14.639 5.895 1.00 0.00 C ATOM 821 CG GLU A 63 2.786 -15.247 6.726 1.00 0.00 C ATOM 822 CD GLU A 63 3.354 -16.508 6.106 1.00 0.00 C ATOM 823 OE1 GLU A 63 4.179 -16.391 5.176 1.00 0.00 O ATOM 824 OE2 GLU A 63 2.974 -17.612 6.551 1.00 0.00 O ATOM 0 H GLU A 63 2.729 -12.579 6.862 1.00 0.00 H new ATOM 0 HA GLU A 63 0.042 -13.239 6.008 1.00 0.00 H new ATOM 0 HB2 GLU A 63 0.981 -15.429 5.593 1.00 0.00 H new ATOM 0 HB3 GLU A 63 2.093 -14.220 4.983 1.00 0.00 H new ATOM 0 HG2 GLU A 63 3.584 -14.515 6.846 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.409 -15.475 7.723 1.00 0.00 H new ATOM 831 N ASN A 64 -0.919 -14.512 7.932 1.00 0.00 N ATOM 832 CA ASN A 64 -1.557 -15.054 9.127 1.00 0.00 C ATOM 833 C ASN A 64 -1.797 -16.553 8.982 1.00 0.00 C ATOM 834 O ASN A 64 -1.854 -17.078 7.870 1.00 0.00 O ATOM 835 CB ASN A 64 -2.881 -14.336 9.393 1.00 0.00 C ATOM 836 CG ASN A 64 -2.717 -13.139 10.309 1.00 0.00 C ATOM 837 OD1 ASN A 64 -3.042 -13.201 11.495 1.00 0.00 O ATOM 838 ND2 ASN A 64 -2.210 -12.041 9.761 1.00 0.00 N ATOM 0 H ASN A 64 -1.520 -14.486 7.108 1.00 0.00 H new ATOM 0 HA ASN A 64 -0.888 -14.892 9.972 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -3.310 -14.009 8.446 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -3.588 -15.036 9.838 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -2.076 -11.203 10.328 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -1.955 -12.035 8.774 1.00 0.00 H new ATOM 845 N GLU A 65 -1.940 -17.236 10.113 1.00 0.00 N ATOM 846 CA GLU A 65 -2.174 -18.676 10.111 1.00 0.00 C ATOM 847 C GLU A 65 -3.667 -18.984 10.041 1.00 0.00 C ATOM 848 O GLU A 65 -4.101 -20.087 10.373 1.00 0.00 O ATOM 849 CB GLU A 65 -1.569 -19.315 11.362 1.00 0.00 C ATOM 850 CG GLU A 65 -2.165 -18.797 12.660 1.00 0.00 C ATOM 851 CD GLU A 65 -1.206 -18.909 13.829 1.00 0.00 C ATOM 852 OE1 GLU A 65 -0.542 -19.960 13.953 1.00 0.00 O ATOM 853 OE2 GLU A 65 -1.119 -17.946 14.620 1.00 0.00 O ATOM 0 H GLU A 65 -1.898 -16.816 11.042 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.692 -19.095 9.228 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -1.710 -20.395 11.313 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.494 -19.134 11.368 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -2.455 -17.754 12.531 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -3.074 -19.355 12.886 1.00 0.00 H new ATOM 860 N ASP A 66 -4.448 -18.000 9.606 1.00 0.00 N ATOM 861 CA ASP A 66 -5.893 -18.164 9.492 1.00 0.00 C ATOM 862 C ASP A 66 -6.349 -17.965 8.050 1.00 0.00 C ATOM 863 O ASP A 66 -7.446 -18.376 7.673 1.00 0.00 O ATOM 864 CB ASP A 66 -6.615 -17.176 10.410 1.00 0.00 C ATOM 865 CG ASP A 66 -6.676 -15.780 9.824 1.00 0.00 C ATOM 866 OD1 ASP A 66 -7.454 -15.572 8.870 1.00 0.00 O ATOM 867 OD2 ASP A 66 -5.946 -14.896 10.318 1.00 0.00 O ATOM 0 H ASP A 66 -4.105 -17.081 9.327 1.00 0.00 H new ATOM 0 HA ASP A 66 -6.144 -19.180 9.797 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -7.628 -17.533 10.598 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.106 -17.141 11.373 1.00 0.00 H new ATOM 872 N GLY A 67 -5.500 -17.329 7.248 1.00 0.00 N ATOM 873 CA GLY A 67 -5.835 -17.085 5.858 1.00 0.00 C ATOM 874 C GLY A 67 -6.039 -15.613 5.560 1.00 0.00 C ATOM 875 O GLY A 67 -6.969 -15.238 4.845 1.00 0.00 O ATOM 0 H GLY A 67 -4.587 -16.979 7.537 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -5.040 -17.474 5.222 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -6.743 -17.633 5.605 1.00 0.00 H new ATOM 879 N THR A 68 -5.167 -14.773 6.111 1.00 0.00 N ATOM 880 CA THR A 68 -5.257 -13.334 5.903 1.00 0.00 C ATOM 881 C THR A 68 -3.873 -12.710 5.767 1.00 0.00 C ATOM 882 O THR A 68 -2.866 -13.325 6.121 1.00 0.00 O ATOM 883 CB THR A 68 -6.006 -12.645 7.060 1.00 0.00 C ATOM 884 OG1 THR A 68 -5.270 -12.794 8.278 1.00 0.00 O ATOM 885 CG2 THR A 68 -7.399 -13.232 7.228 1.00 0.00 C ATOM 0 H THR A 68 -4.391 -15.066 6.705 1.00 0.00 H new ATOM 0 HA THR A 68 -5.813 -13.183 4.978 1.00 0.00 H new ATOM 0 HB THR A 68 -6.102 -11.586 6.822 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.659 -13.520 8.809 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.909 -12.730 8.050 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.967 -13.090 6.309 1.00 0.00 H new ATOM 0 HG23 THR A 68 -7.321 -14.297 7.446 1.00 0.00 H new ATOM 893 N TYR A 69 -3.827 -11.486 5.254 1.00 0.00 N ATOM 894 CA TYR A 69 -2.565 -10.779 5.069 1.00 0.00 C ATOM 895 C TYR A 69 -2.732 -9.287 5.341 1.00 0.00 C ATOM 896 O TYR A 69 -3.594 -8.631 4.757 1.00 0.00 O ATOM 897 CB TYR A 69 -2.039 -10.995 3.650 1.00 0.00 C ATOM 898 CG TYR A 69 -1.576 -12.410 3.385 1.00 0.00 C ATOM 899 CD1 TYR A 69 -2.492 -13.435 3.182 1.00 0.00 C ATOM 900 CD2 TYR A 69 -0.223 -12.722 3.338 1.00 0.00 C ATOM 901 CE1 TYR A 69 -2.073 -14.729 2.940 1.00 0.00 C ATOM 902 CE2 TYR A 69 0.205 -14.013 3.095 1.00 0.00 C ATOM 903 CZ TYR A 69 -0.724 -15.013 2.896 1.00 0.00 C ATOM 904 OH TYR A 69 -0.303 -16.300 2.656 1.00 0.00 O ATOM 0 H TYR A 69 -4.650 -10.962 4.958 1.00 0.00 H new ATOM 0 HA TYR A 69 -1.844 -11.181 5.781 1.00 0.00 H new ATOM 0 HB2 TYR A 69 -2.823 -10.739 2.938 1.00 0.00 H new ATOM 0 HB3 TYR A 69 -1.210 -10.311 3.471 1.00 0.00 H new ATOM 0 HD1 TYR A 69 -3.549 -13.216 3.214 1.00 0.00 H new ATOM 0 HD2 TYR A 69 0.507 -11.942 3.494 1.00 0.00 H new ATOM 0 HE1 TYR A 69 -2.798 -15.514 2.786 1.00 0.00 H new ATOM 0 HE2 TYR A 69 1.261 -14.238 3.061 1.00 0.00 H new ATOM 0 HH TYR A 69 0.677 -16.329 2.656 1.00 0.00 H new ATOM 914 N ASP A 70 -1.900 -8.759 6.232 1.00 0.00 N ATOM 915 CA ASP A 70 -1.951 -7.344 6.580 1.00 0.00 C ATOM 916 C ASP A 70 -0.862 -6.564 5.851 1.00 0.00 C ATOM 917 O ASP A 70 0.307 -6.949 5.867 1.00 0.00 O ATOM 918 CB ASP A 70 -1.800 -7.164 8.092 1.00 0.00 C ATOM 919 CG ASP A 70 -2.830 -7.954 8.875 1.00 0.00 C ATOM 920 OD1 ASP A 70 -3.009 -9.154 8.578 1.00 0.00 O ATOM 921 OD2 ASP A 70 -3.456 -7.373 9.786 1.00 0.00 O ATOM 0 H ASP A 70 -1.182 -9.289 6.726 1.00 0.00 H new ATOM 0 HA ASP A 70 -2.920 -6.954 6.270 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -0.800 -7.476 8.394 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -1.892 -6.107 8.340 1.00 0.00 H new ATOM 926 N ILE A 71 -1.254 -5.467 5.211 1.00 0.00 N ATOM 927 CA ILE A 71 -0.310 -4.633 4.477 1.00 0.00 C ATOM 928 C ILE A 71 -0.466 -3.164 4.853 1.00 0.00 C ATOM 929 O ILE A 71 -1.581 -2.651 4.949 1.00 0.00 O ATOM 930 CB ILE A 71 -0.493 -4.785 2.954 1.00 0.00 C ATOM 931 CG1 ILE A 71 -0.419 -6.260 2.554 1.00 0.00 C ATOM 932 CG2 ILE A 71 0.560 -3.976 2.212 1.00 0.00 C ATOM 933 CD1 ILE A 71 -1.241 -6.595 1.328 1.00 0.00 C ATOM 0 H ILE A 71 -2.218 -5.135 5.186 1.00 0.00 H new ATOM 0 HA ILE A 71 0.690 -4.970 4.751 1.00 0.00 H new ATOM 0 HB ILE A 71 -1.477 -4.403 2.681 1.00 0.00 H new ATOM 0 HG12 ILE A 71 0.622 -6.526 2.368 1.00 0.00 H new ATOM 0 HG13 ILE A 71 -0.760 -6.872 3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 71 0.418 -4.093 1.138 1.00 0.00 H new ATOM 0 HG22 ILE A 71 0.464 -2.923 2.478 1.00 0.00 H new ATOM 0 HG23 ILE A 71 1.553 -4.331 2.488 1.00 0.00 H new ATOM 0 HD11 ILE A 71 -1.142 -7.657 1.102 1.00 0.00 H new ATOM 0 HD12 ILE A 71 -2.289 -6.361 1.517 1.00 0.00 H new ATOM 0 HD13 ILE A 71 -0.885 -6.009 0.480 1.00 0.00 H new ATOM 945 N PHE A 72 0.660 -2.491 5.063 1.00 0.00 N ATOM 946 CA PHE A 72 0.649 -1.078 5.427 1.00 0.00 C ATOM 947 C PHE A 72 1.533 -0.267 4.485 1.00 0.00 C ATOM 948 O PHE A 72 2.487 -0.788 3.909 1.00 0.00 O ATOM 949 CB PHE A 72 1.124 -0.899 6.871 1.00 0.00 C ATOM 950 CG PHE A 72 0.412 -1.788 7.851 1.00 0.00 C ATOM 951 CD1 PHE A 72 0.628 -3.156 7.848 1.00 0.00 C ATOM 952 CD2 PHE A 72 -0.473 -1.255 8.774 1.00 0.00 C ATOM 953 CE1 PHE A 72 -0.025 -3.977 8.750 1.00 0.00 C ATOM 954 CE2 PHE A 72 -1.128 -2.070 9.677 1.00 0.00 C ATOM 955 CZ PHE A 72 -0.906 -3.433 9.664 1.00 0.00 C ATOM 0 H PHE A 72 1.591 -2.900 4.988 1.00 0.00 H new ATOM 0 HA PHE A 72 -0.375 -0.713 5.340 1.00 0.00 H new ATOM 0 HB2 PHE A 72 2.194 -1.101 6.921 1.00 0.00 H new ATOM 0 HB3 PHE A 72 0.981 0.141 7.166 1.00 0.00 H new ATOM 0 HD1 PHE A 72 1.314 -3.587 7.134 1.00 0.00 H new ATOM 0 HD2 PHE A 72 -0.653 -0.190 8.788 1.00 0.00 H new ATOM 0 HE1 PHE A 72 0.154 -5.042 8.739 1.00 0.00 H new ATOM 0 HE2 PHE A 72 -1.814 -1.641 10.393 1.00 0.00 H new ATOM 0 HZ PHE A 72 -1.420 -4.072 10.367 1.00 0.00 H new ATOM 965 N TYR A 73 1.208 1.012 4.333 1.00 0.00 N ATOM 966 CA TYR A 73 1.968 1.896 3.459 1.00 0.00 C ATOM 967 C TYR A 73 1.682 3.360 3.781 1.00 0.00 C ATOM 968 O TYR A 73 0.565 3.718 4.159 1.00 0.00 O ATOM 969 CB TYR A 73 1.636 1.610 1.994 1.00 0.00 C ATOM 970 CG TYR A 73 0.338 2.234 1.535 1.00 0.00 C ATOM 971 CD1 TYR A 73 0.227 3.608 1.364 1.00 0.00 C ATOM 972 CD2 TYR A 73 -0.778 1.448 1.270 1.00 0.00 C ATOM 973 CE1 TYR A 73 -0.958 4.182 0.946 1.00 0.00 C ATOM 974 CE2 TYR A 73 -1.966 2.014 0.850 1.00 0.00 C ATOM 975 CZ TYR A 73 -2.051 3.381 0.689 1.00 0.00 C ATOM 976 OH TYR A 73 -3.233 3.949 0.271 1.00 0.00 O ATOM 0 H TYR A 73 0.422 1.460 4.805 1.00 0.00 H new ATOM 0 HA TYR A 73 3.028 1.706 3.627 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.448 1.979 1.367 1.00 0.00 H new ATOM 0 HB3 TYR A 73 1.583 0.531 1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.082 4.238 1.561 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.715 0.377 1.395 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -1.028 5.252 0.821 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -2.824 1.389 0.649 1.00 0.00 H new ATOM 0 HH TYR A 73 -3.986 3.483 0.690 1.00 0.00 H new ATOM 986 N THR A 74 2.697 4.203 3.626 1.00 0.00 N ATOM 987 CA THR A 74 2.556 5.628 3.900 1.00 0.00 C ATOM 988 C THR A 74 2.654 6.446 2.618 1.00 0.00 C ATOM 989 O THR A 74 3.155 5.968 1.601 1.00 0.00 O ATOM 990 CB THR A 74 3.630 6.119 4.890 1.00 0.00 C ATOM 991 OG1 THR A 74 3.596 5.324 6.082 1.00 0.00 O ATOM 992 CG2 THR A 74 3.411 7.581 5.245 1.00 0.00 C ATOM 0 H THR A 74 3.626 3.924 3.312 1.00 0.00 H new ATOM 0 HA THR A 74 1.571 5.768 4.344 1.00 0.00 H new ATOM 0 HB THR A 74 4.605 6.019 4.413 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.282 5.640 6.706 1.00 0.00 H new ATOM 0 HG21 THR A 74 4.181 7.905 5.945 1.00 0.00 H new ATOM 0 HG22 THR A 74 3.465 8.187 4.341 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.430 7.701 5.704 1.00 0.00 H new ATOM 1000 N ALA A 75 2.170 7.683 2.672 1.00 0.00 N ATOM 1001 CA ALA A 75 2.205 8.569 1.515 1.00 0.00 C ATOM 1002 C ALA A 75 3.072 9.793 1.788 1.00 0.00 C ATOM 1003 O ALA A 75 2.595 10.800 2.311 1.00 0.00 O ATOM 1004 CB ALA A 75 0.794 8.993 1.133 1.00 0.00 C ATOM 0 H ALA A 75 1.749 8.094 3.505 1.00 0.00 H new ATOM 0 HA ALA A 75 2.646 8.022 0.682 1.00 0.00 H new ATOM 0 HB1 ALA A 75 0.835 9.654 0.268 1.00 0.00 H new ATOM 0 HB2 ALA A 75 0.203 8.111 0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 75 0.333 9.518 1.970 1.00 0.00 H new ATOM 1010 N ALA A 76 4.348 9.701 1.428 1.00 0.00 N ATOM 1011 CA ALA A 76 5.281 10.802 1.633 1.00 0.00 C ATOM 1012 C ALA A 76 4.784 12.075 0.958 1.00 0.00 C ATOM 1013 O ALA A 76 4.777 13.148 1.561 1.00 0.00 O ATOM 1014 CB ALA A 76 6.661 10.428 1.112 1.00 0.00 C ATOM 0 H ALA A 76 4.759 8.875 0.993 1.00 0.00 H new ATOM 0 HA ALA A 76 5.350 10.994 2.704 1.00 0.00 H new ATOM 0 HB1 ALA A 76 7.348 11.259 1.271 1.00 0.00 H new ATOM 0 HB2 ALA A 76 7.025 9.549 1.644 1.00 0.00 H new ATOM 0 HB3 ALA A 76 6.600 10.207 0.046 1.00 0.00 H new ATOM 1020 N LYS A 77 4.370 11.949 -0.299 1.00 0.00 N ATOM 1021 CA LYS A 77 3.871 13.090 -1.057 1.00 0.00 C ATOM 1022 C LYS A 77 2.534 12.762 -1.716 1.00 0.00 C ATOM 1023 O LYS A 77 2.230 11.608 -2.019 1.00 0.00 O ATOM 1024 CB LYS A 77 4.888 13.504 -2.124 1.00 0.00 C ATOM 1025 CG LYS A 77 6.229 13.931 -1.551 1.00 0.00 C ATOM 1026 CD LYS A 77 7.254 14.163 -2.648 1.00 0.00 C ATOM 1027 CE LYS A 77 8.572 14.669 -2.080 1.00 0.00 C ATOM 1028 NZ LYS A 77 9.300 15.532 -3.052 1.00 0.00 N ATOM 0 H LYS A 77 4.370 11.068 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 77 3.722 13.918 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 77 5.044 12.670 -2.809 1.00 0.00 H new ATOM 0 HB3 LYS A 77 4.474 14.325 -2.710 1.00 0.00 H new ATOM 0 HG2 LYS A 77 6.103 14.844 -0.970 1.00 0.00 H new ATOM 0 HG3 LYS A 77 6.594 13.165 -0.866 1.00 0.00 H new ATOM 0 HD2 LYS A 77 7.424 13.234 -3.192 1.00 0.00 H new ATOM 0 HD3 LYS A 77 6.864 14.885 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.381 15.232 -1.166 1.00 0.00 H new ATOM 0 HE3 LYS A 77 9.199 13.821 -1.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 10.192 15.857 -2.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 9.504 14.988 -3.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.712 16.355 -3.294 1.00 0.00 H new ATOM 1042 N PRO A 78 1.716 13.800 -1.943 1.00 0.00 N ATOM 1043 CA PRO A 78 0.399 13.647 -2.571 1.00 0.00 C ATOM 1044 C PRO A 78 0.499 13.275 -4.046 1.00 0.00 C ATOM 1045 O PRO A 78 1.488 13.584 -4.708 1.00 0.00 O ATOM 1046 CB PRO A 78 -0.234 15.031 -2.409 1.00 0.00 C ATOM 1047 CG PRO A 78 0.922 15.966 -2.307 1.00 0.00 C ATOM 1048 CD PRO A 78 2.012 15.202 -1.609 1.00 0.00 C ATOM 0 HA PRO A 78 -0.179 12.843 -2.115 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -0.869 15.278 -3.260 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -0.861 15.078 -1.519 1.00 0.00 H new ATOM 0 HG2 PRO A 78 1.246 16.295 -3.294 1.00 0.00 H new ATOM 0 HG3 PRO A 78 0.652 16.861 -1.746 1.00 0.00 H new ATOM 0 HD2 PRO A 78 3.000 15.499 -1.962 1.00 0.00 H new ATOM 0 HD3 PRO A 78 1.994 15.371 -0.532 1.00 0.00 H new ATOM 1056 N GLY A 79 -0.533 12.610 -4.555 1.00 0.00 N ATOM 1057 CA GLY A 79 -0.542 12.207 -5.949 1.00 0.00 C ATOM 1058 C GLY A 79 -1.431 11.006 -6.202 1.00 0.00 C ATOM 1059 O GLY A 79 -2.329 10.712 -5.412 1.00 0.00 O ATOM 0 H GLY A 79 -1.364 12.343 -4.027 1.00 0.00 H new ATOM 0 HA2 GLY A 79 -0.881 13.042 -6.563 1.00 0.00 H new ATOM 0 HA3 GLY A 79 0.476 11.974 -6.263 1.00 0.00 H new ATOM 1063 N THR A 80 -1.184 10.310 -7.307 1.00 0.00 N ATOM 1064 CA THR A 80 -1.971 9.136 -7.662 1.00 0.00 C ATOM 1065 C THR A 80 -1.179 7.853 -7.432 1.00 0.00 C ATOM 1066 O THR A 80 -0.283 7.518 -8.206 1.00 0.00 O ATOM 1067 CB THR A 80 -2.426 9.188 -9.133 1.00 0.00 C ATOM 1068 OG1 THR A 80 -3.204 10.367 -9.362 1.00 0.00 O ATOM 1069 CG2 THR A 80 -3.242 7.956 -9.490 1.00 0.00 C ATOM 0 H THR A 80 -0.445 10.539 -7.972 1.00 0.00 H new ATOM 0 HA THR A 80 -2.850 9.138 -7.017 1.00 0.00 H new ATOM 0 HB THR A 80 -1.539 9.211 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 80 -3.488 10.394 -10.299 1.00 0.00 H new ATOM 0 HG21 THR A 80 -3.552 8.015 -10.533 1.00 0.00 H new ATOM 0 HG22 THR A 80 -2.636 7.062 -9.342 1.00 0.00 H new ATOM 0 HG23 THR A 80 -4.124 7.906 -8.851 1.00 0.00 H new ATOM 1077 N TYR A 81 -1.515 7.139 -6.363 1.00 0.00 N ATOM 1078 CA TYR A 81 -0.835 5.894 -6.031 1.00 0.00 C ATOM 1079 C TYR A 81 -1.543 4.700 -6.663 1.00 0.00 C ATOM 1080 O TYR A 81 -2.772 4.621 -6.664 1.00 0.00 O ATOM 1081 CB TYR A 81 -0.766 5.715 -4.514 1.00 0.00 C ATOM 1082 CG TYR A 81 0.254 6.610 -3.843 1.00 0.00 C ATOM 1083 CD1 TYR A 81 0.066 7.985 -3.783 1.00 0.00 C ATOM 1084 CD2 TYR A 81 1.404 6.079 -3.273 1.00 0.00 C ATOM 1085 CE1 TYR A 81 0.995 8.806 -3.173 1.00 0.00 C ATOM 1086 CE2 TYR A 81 2.338 6.892 -2.661 1.00 0.00 C ATOM 1087 CZ TYR A 81 2.129 8.255 -2.613 1.00 0.00 C ATOM 1088 OH TYR A 81 3.057 9.069 -2.005 1.00 0.00 O ATOM 0 H TYR A 81 -2.255 7.402 -5.712 1.00 0.00 H new ATOM 0 HA TYR A 81 0.178 5.946 -6.431 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -1.749 5.916 -4.088 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -0.528 4.675 -4.290 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -0.821 8.419 -4.220 1.00 0.00 H new ATOM 0 HD2 TYR A 81 1.571 5.013 -3.309 1.00 0.00 H new ATOM 0 HE1 TYR A 81 0.834 9.873 -3.135 1.00 0.00 H new ATOM 0 HE2 TYR A 81 3.227 6.463 -2.222 1.00 0.00 H new ATOM 0 HH TYR A 81 2.654 9.942 -1.818 1.00 0.00 H new ATOM 1098 N VAL A 82 -0.759 3.770 -7.200 1.00 0.00 N ATOM 1099 CA VAL A 82 -1.309 2.579 -7.834 1.00 0.00 C ATOM 1100 C VAL A 82 -0.853 1.314 -7.117 1.00 0.00 C ATOM 1101 O VAL A 82 0.321 0.945 -7.174 1.00 0.00 O ATOM 1102 CB VAL A 82 -0.899 2.491 -9.317 1.00 0.00 C ATOM 1103 CG1 VAL A 82 -1.394 1.192 -9.932 1.00 0.00 C ATOM 1104 CG2 VAL A 82 -1.428 3.692 -10.087 1.00 0.00 C ATOM 0 H VAL A 82 0.260 3.819 -7.208 1.00 0.00 H new ATOM 0 HA VAL A 82 -2.394 2.659 -7.769 1.00 0.00 H new ATOM 0 HB VAL A 82 0.189 2.500 -9.377 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.095 1.148 -10.979 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -0.962 0.347 -9.395 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.481 1.148 -9.863 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -1.130 3.614 -11.132 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.516 3.716 -10.021 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -1.018 4.607 -9.660 1.00 0.00 H new ATOM 1114 N ILE A 83 -1.787 0.653 -6.442 1.00 0.00 N ATOM 1115 CA ILE A 83 -1.480 -0.572 -5.714 1.00 0.00 C ATOM 1116 C ILE A 83 -1.864 -1.805 -6.526 1.00 0.00 C ATOM 1117 O ILE A 83 -2.955 -1.874 -7.092 1.00 0.00 O ATOM 1118 CB ILE A 83 -2.209 -0.619 -4.358 1.00 0.00 C ATOM 1119 CG1 ILE A 83 -1.821 0.591 -3.504 1.00 0.00 C ATOM 1120 CG2 ILE A 83 -1.886 -1.914 -3.628 1.00 0.00 C ATOM 1121 CD1 ILE A 83 -2.779 0.858 -2.365 1.00 0.00 C ATOM 0 H ILE A 83 -2.763 0.945 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 83 -0.404 -0.574 -5.540 1.00 0.00 H new ATOM 0 HB ILE A 83 -3.283 -0.584 -4.538 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -0.822 0.434 -3.098 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -1.771 1.474 -4.141 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -2.408 -1.933 -2.672 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -2.206 -2.762 -4.233 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -0.811 -1.976 -3.456 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -2.442 1.729 -1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -3.775 1.047 -2.764 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -2.811 -0.009 -1.706 1.00 0.00 H new ATOM 1133 N TYR A 84 -0.959 -2.776 -6.580 1.00 0.00 N ATOM 1134 CA TYR A 84 -1.201 -4.006 -7.323 1.00 0.00 C ATOM 1135 C TYR A 84 -1.439 -5.178 -6.375 1.00 0.00 C ATOM 1136 O TYR A 84 -0.575 -5.526 -5.570 1.00 0.00 O ATOM 1137 CB TYR A 84 -0.019 -4.312 -8.244 1.00 0.00 C ATOM 1138 CG TYR A 84 0.136 -3.325 -9.378 1.00 0.00 C ATOM 1139 CD1 TYR A 84 -0.946 -2.982 -10.181 1.00 0.00 C ATOM 1140 CD2 TYR A 84 1.364 -2.734 -9.648 1.00 0.00 C ATOM 1141 CE1 TYR A 84 -0.809 -2.081 -11.218 1.00 0.00 C ATOM 1142 CE2 TYR A 84 1.510 -1.830 -10.683 1.00 0.00 C ATOM 1143 CZ TYR A 84 0.421 -1.507 -11.465 1.00 0.00 C ATOM 1144 OH TYR A 84 0.562 -0.608 -12.497 1.00 0.00 O ATOM 0 H TYR A 84 -0.051 -2.735 -6.118 1.00 0.00 H new ATOM 0 HA TYR A 84 -2.097 -3.864 -7.928 1.00 0.00 H new ATOM 0 HB2 TYR A 84 0.897 -4.322 -7.654 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -0.142 -5.313 -8.659 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.911 -3.428 -9.990 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.219 -2.985 -9.038 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -1.660 -1.827 -11.833 1.00 0.00 H new ATOM 0 HE2 TYR A 84 2.472 -1.379 -10.878 1.00 0.00 H new ATOM 0 HH TYR A 84 1.490 -0.297 -12.535 1.00 0.00 H new ATOM 1154 N VAL A 85 -2.617 -5.785 -6.477 1.00 0.00 N ATOM 1155 CA VAL A 85 -2.970 -6.919 -5.631 1.00 0.00 C ATOM 1156 C VAL A 85 -3.433 -8.106 -6.468 1.00 0.00 C ATOM 1157 O VAL A 85 -4.213 -7.949 -7.408 1.00 0.00 O ATOM 1158 CB VAL A 85 -4.078 -6.548 -4.629 1.00 0.00 C ATOM 1159 CG1 VAL A 85 -4.419 -7.739 -3.746 1.00 0.00 C ATOM 1160 CG2 VAL A 85 -3.656 -5.353 -3.786 1.00 0.00 C ATOM 0 H VAL A 85 -3.344 -5.510 -7.138 1.00 0.00 H new ATOM 0 HA VAL A 85 -2.071 -7.195 -5.081 1.00 0.00 H new ATOM 0 HB VAL A 85 -4.972 -6.272 -5.188 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -5.204 -7.458 -3.044 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -4.766 -8.565 -4.367 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -3.532 -8.048 -3.194 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -4.451 -5.105 -3.083 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.748 -5.599 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -3.466 -4.499 -4.435 1.00 0.00 H new ATOM 1170 N ARG A 86 -2.947 -9.294 -6.122 1.00 0.00 N ATOM 1171 CA ARG A 86 -3.311 -10.507 -6.842 1.00 0.00 C ATOM 1172 C ARG A 86 -3.395 -11.699 -5.891 1.00 0.00 C ATOM 1173 O ARG A 86 -2.786 -11.697 -4.821 1.00 0.00 O ATOM 1174 CB ARG A 86 -2.292 -10.795 -7.946 1.00 0.00 C ATOM 1175 CG ARG A 86 -0.972 -11.343 -7.431 1.00 0.00 C ATOM 1176 CD ARG A 86 0.185 -10.958 -8.341 1.00 0.00 C ATOM 1177 NE ARG A 86 0.441 -9.520 -8.321 1.00 0.00 N ATOM 1178 CZ ARG A 86 1.405 -8.936 -9.023 1.00 0.00 C ATOM 1179 NH1 ARG A 86 2.200 -9.663 -9.797 1.00 0.00 N ATOM 1180 NH2 ARG A 86 1.576 -7.622 -8.954 1.00 0.00 N ATOM 0 H ARG A 86 -2.300 -9.441 -5.347 1.00 0.00 H new ATOM 0 HA ARG A 86 -4.292 -10.352 -7.292 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -2.722 -11.509 -8.648 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -2.102 -9.877 -8.501 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -0.787 -10.964 -6.426 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.032 -12.429 -7.357 1.00 0.00 H new ATOM 0 HD2 ARG A 86 1.084 -11.491 -8.030 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -0.035 -11.273 -9.361 1.00 0.00 H new ATOM 0 HE ARG A 86 -0.153 -8.933 -7.736 1.00 0.00 H new ATOM 0 HH11 ARG A 86 2.072 -10.673 -9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 86 2.940 -9.212 -10.335 1.00 0.00 H new ATOM 0 HH21 ARG A 86 0.966 -7.059 -8.361 1.00 0.00 H new ATOM 0 HH22 ARG A 86 2.317 -7.175 -9.494 1.00 0.00 H new ATOM 1194 N PHE A 87 -4.156 -12.713 -6.290 1.00 0.00 N ATOM 1195 CA PHE A 87 -4.321 -13.910 -5.472 1.00 0.00 C ATOM 1196 C PHE A 87 -4.004 -15.167 -6.278 1.00 0.00 C ATOM 1197 O PHE A 87 -4.728 -15.522 -7.206 1.00 0.00 O ATOM 1198 CB PHE A 87 -5.749 -13.986 -4.927 1.00 0.00 C ATOM 1199 CG PHE A 87 -6.025 -15.238 -4.144 1.00 0.00 C ATOM 1200 CD1 PHE A 87 -6.266 -16.438 -4.793 1.00 0.00 C ATOM 1201 CD2 PHE A 87 -6.044 -15.214 -2.758 1.00 0.00 C ATOM 1202 CE1 PHE A 87 -6.520 -17.593 -4.074 1.00 0.00 C ATOM 1203 CE2 PHE A 87 -6.298 -16.364 -2.036 1.00 0.00 C ATOM 1204 CZ PHE A 87 -6.536 -17.554 -2.694 1.00 0.00 C ATOM 0 H PHE A 87 -4.667 -12.730 -7.172 1.00 0.00 H new ATOM 0 HA PHE A 87 -3.623 -13.850 -4.637 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -5.933 -13.121 -4.290 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -6.451 -13.925 -5.759 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -6.256 -16.473 -5.872 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -5.858 -14.286 -2.237 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -6.705 -18.523 -4.591 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -6.310 -16.332 -0.957 1.00 0.00 H new ATOM 0 HZ PHE A 87 -6.734 -18.453 -2.130 1.00 0.00 H new ATOM 1214 N GLY A 88 -2.913 -15.835 -5.915 1.00 0.00 N ATOM 1215 CA GLY A 88 -2.518 -17.044 -6.614 1.00 0.00 C ATOM 1216 C GLY A 88 -2.125 -16.779 -8.053 1.00 0.00 C ATOM 1217 O GLY A 88 -2.350 -17.613 -8.929 1.00 0.00 O ATOM 0 H GLY A 88 -2.296 -15.561 -5.150 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -1.680 -17.505 -6.091 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -3.341 -17.759 -6.591 1.00 0.00 H new ATOM 1221 N GLY A 89 -1.537 -15.613 -8.300 1.00 0.00 N ATOM 1222 CA GLY A 89 -1.123 -15.260 -9.646 1.00 0.00 C ATOM 1223 C GLY A 89 -2.269 -14.733 -10.485 1.00 0.00 C ATOM 1224 O GLY A 89 -2.238 -14.813 -11.713 1.00 0.00 O ATOM 0 H GLY A 89 -1.340 -14.906 -7.592 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -0.337 -14.506 -9.595 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -0.694 -16.136 -10.132 1.00 0.00 H new ATOM 1228 N VAL A 90 -3.287 -14.192 -9.821 1.00 0.00 N ATOM 1229 CA VAL A 90 -4.448 -13.648 -10.514 1.00 0.00 C ATOM 1230 C VAL A 90 -4.776 -12.244 -10.019 1.00 0.00 C ATOM 1231 O VAL A 90 -5.123 -12.051 -8.854 1.00 0.00 O ATOM 1232 CB VAL A 90 -5.684 -14.548 -10.328 1.00 0.00 C ATOM 1233 CG1 VAL A 90 -6.884 -13.966 -11.057 1.00 0.00 C ATOM 1234 CG2 VAL A 90 -5.392 -15.962 -10.810 1.00 0.00 C ATOM 0 H VAL A 90 -3.330 -14.119 -8.805 1.00 0.00 H new ATOM 0 HA VAL A 90 -4.194 -13.606 -11.573 1.00 0.00 H new ATOM 0 HB VAL A 90 -5.921 -14.592 -9.265 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -7.747 -14.616 -10.914 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -7.106 -12.975 -10.660 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -6.661 -13.889 -12.121 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.276 -16.584 -10.671 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -5.127 -15.939 -11.867 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -4.563 -16.378 -10.238 1.00 0.00 H new ATOM 1244 N ASP A 91 -4.666 -11.267 -10.913 1.00 0.00 N ATOM 1245 CA ASP A 91 -4.953 -9.880 -10.568 1.00 0.00 C ATOM 1246 C ASP A 91 -6.450 -9.666 -10.376 1.00 0.00 C ATOM 1247 O ASP A 91 -7.197 -9.527 -11.346 1.00 0.00 O ATOM 1248 CB ASP A 91 -4.427 -8.942 -11.656 1.00 0.00 C ATOM 1249 CG ASP A 91 -4.579 -7.481 -11.284 1.00 0.00 C ATOM 1250 OD1 ASP A 91 -3.714 -6.962 -10.548 1.00 0.00 O ATOM 1251 OD2 ASP A 91 -5.564 -6.855 -11.731 1.00 0.00 O ATOM 0 H ASP A 91 -4.380 -11.410 -11.882 1.00 0.00 H new ATOM 0 HA ASP A 91 -4.449 -9.654 -9.629 1.00 0.00 H new ATOM 0 HB2 ASP A 91 -3.375 -9.159 -11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 91 -4.961 -9.134 -12.587 1.00 0.00 H new ATOM 1256 N ILE A 92 -6.883 -9.642 -9.120 1.00 0.00 N ATOM 1257 CA ILE A 92 -8.292 -9.446 -8.802 1.00 0.00 C ATOM 1258 C ILE A 92 -8.914 -8.379 -9.697 1.00 0.00 C ATOM 1259 O ILE A 92 -8.230 -7.508 -10.235 1.00 0.00 O ATOM 1260 CB ILE A 92 -8.485 -9.039 -7.329 1.00 0.00 C ATOM 1261 CG1 ILE A 92 -7.432 -8.007 -6.919 1.00 0.00 C ATOM 1262 CG2 ILE A 92 -8.414 -10.264 -6.428 1.00 0.00 C ATOM 1263 CD1 ILE A 92 -7.552 -7.560 -5.480 1.00 0.00 C ATOM 0 H ILE A 92 -6.279 -9.756 -8.306 1.00 0.00 H new ATOM 0 HA ILE A 92 -8.790 -10.400 -8.976 1.00 0.00 H new ATOM 0 HB ILE A 92 -9.471 -8.587 -7.218 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -6.440 -8.429 -7.078 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -7.516 -7.136 -7.570 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -8.552 -9.961 -5.390 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -9.198 -10.967 -6.708 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -7.441 -10.742 -6.540 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -6.774 -6.829 -5.260 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -8.531 -7.108 -5.320 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -7.438 -8.421 -4.821 1.00 0.00 H new ATOM 1275 N PRO A 93 -10.244 -8.446 -9.860 1.00 0.00 N ATOM 1276 CA PRO A 93 -10.989 -7.492 -10.687 1.00 0.00 C ATOM 1277 C PRO A 93 -11.036 -6.100 -10.066 1.00 0.00 C ATOM 1278 O PRO A 93 -11.654 -5.187 -10.614 1.00 0.00 O ATOM 1279 CB PRO A 93 -12.393 -8.098 -10.750 1.00 0.00 C ATOM 1280 CG PRO A 93 -12.504 -8.925 -9.516 1.00 0.00 C ATOM 1281 CD PRO A 93 -11.123 -9.457 -9.248 1.00 0.00 C ATOM 0 HA PRO A 93 -10.527 -7.351 -11.664 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -13.158 -7.322 -10.777 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -12.523 -8.705 -11.646 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -12.862 -8.328 -8.677 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -13.216 -9.739 -9.654 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -10.933 -9.561 -8.180 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -10.977 -10.440 -9.695 1.00 0.00 H new ATOM 1289 N ASN A 94 -10.379 -5.944 -8.923 1.00 0.00 N ATOM 1290 CA ASN A 94 -10.346 -4.662 -8.228 1.00 0.00 C ATOM 1291 C ASN A 94 -9.000 -3.972 -8.422 1.00 0.00 C ATOM 1292 O ASN A 94 -8.834 -2.802 -8.075 1.00 0.00 O ATOM 1293 CB ASN A 94 -10.620 -4.860 -6.736 1.00 0.00 C ATOM 1294 CG ASN A 94 -11.965 -5.513 -6.477 1.00 0.00 C ATOM 1295 OD1 ASN A 94 -12.107 -6.762 -6.904 1.00 0.00 O flip ATOM 1296 ND2 ASN A 94 -12.863 -4.902 -5.899 1.00 0.00 N flip ATOM 0 H ASN A 94 -9.862 -6.689 -8.457 1.00 0.00 H new ATOM 0 HA ASN A 94 -11.124 -4.027 -8.652 1.00 0.00 H new ATOM 0 HB2 ASN A 94 -9.831 -5.475 -6.303 1.00 0.00 H new ATOM 0 HB3 ASN A 94 -10.585 -3.894 -6.232 1.00 0.00 H new ATOM 0 HD21 ASN A 94 -12.709 -3.943 -5.588 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -13.761 -5.355 -5.731 1.00 0.00 H new ATOM 1303 N SER A 95 -8.040 -4.704 -8.979 1.00 0.00 N ATOM 1304 CA SER A 95 -6.707 -4.165 -9.216 1.00 0.00 C ATOM 1305 C SER A 95 -6.569 -3.669 -10.653 1.00 0.00 C ATOM 1306 O SER A 95 -7.115 -4.250 -11.591 1.00 0.00 O ATOM 1307 CB SER A 95 -5.645 -5.227 -8.927 1.00 0.00 C ATOM 1308 OG SER A 95 -4.465 -4.639 -8.405 1.00 0.00 O ATOM 0 H SER A 95 -8.161 -5.673 -9.275 1.00 0.00 H new ATOM 0 HA SER A 95 -6.559 -3.321 -8.543 1.00 0.00 H new ATOM 0 HB2 SER A 95 -6.038 -5.955 -8.217 1.00 0.00 H new ATOM 0 HB3 SER A 95 -5.410 -5.770 -9.843 1.00 0.00 H new ATOM 0 HG SER A 95 -4.694 -4.065 -7.645 1.00 0.00 H new ATOM 1314 N PRO A 96 -5.821 -2.570 -10.830 1.00 0.00 N ATOM 1315 CA PRO A 96 -5.167 -1.871 -9.720 1.00 0.00 C ATOM 1316 C PRO A 96 -6.166 -1.164 -8.810 1.00 0.00 C ATOM 1317 O PRO A 96 -7.372 -1.189 -9.058 1.00 0.00 O ATOM 1318 CB PRO A 96 -4.269 -0.850 -10.424 1.00 0.00 C ATOM 1319 CG PRO A 96 -4.922 -0.617 -11.743 1.00 0.00 C ATOM 1320 CD PRO A 96 -5.558 -1.925 -12.127 1.00 0.00 C ATOM 0 HA PRO A 96 -4.626 -2.557 -9.068 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.195 0.074 -9.850 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.255 -1.232 -10.546 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.668 0.175 -11.675 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.192 -0.304 -12.490 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.476 -1.774 -12.694 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -4.895 -2.527 -12.748 1.00 0.00 H new ATOM 1328 N PHE A 97 -5.657 -0.533 -7.757 1.00 0.00 N ATOM 1329 CA PHE A 97 -6.506 0.181 -6.811 1.00 0.00 C ATOM 1330 C PHE A 97 -6.197 1.676 -6.824 1.00 0.00 C ATOM 1331 O PHE A 97 -5.225 2.126 -6.217 1.00 0.00 O ATOM 1332 CB PHE A 97 -6.314 -0.378 -5.399 1.00 0.00 C ATOM 1333 CG PHE A 97 -7.087 -1.641 -5.145 1.00 0.00 C ATOM 1334 CD1 PHE A 97 -6.851 -2.777 -5.903 1.00 0.00 C ATOM 1335 CD2 PHE A 97 -8.048 -1.692 -4.149 1.00 0.00 C ATOM 1336 CE1 PHE A 97 -7.560 -3.941 -5.672 1.00 0.00 C ATOM 1337 CE2 PHE A 97 -8.759 -2.854 -3.913 1.00 0.00 C ATOM 1338 CZ PHE A 97 -8.516 -3.979 -4.676 1.00 0.00 C ATOM 0 H PHE A 97 -4.661 -0.502 -7.538 1.00 0.00 H new ATOM 0 HA PHE A 97 -7.544 0.039 -7.113 1.00 0.00 H new ATOM 0 HB2 PHE A 97 -5.254 -0.571 -5.234 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -6.618 0.377 -4.673 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -6.105 -2.753 -6.683 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -8.244 -0.815 -3.550 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -7.367 -4.820 -6.270 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -9.504 -2.882 -3.132 1.00 0.00 H new ATOM 0 HZ PHE A 97 -9.072 -4.887 -4.494 1.00 0.00 H new ATOM 1348 N THR A 98 -7.034 2.441 -7.519 1.00 0.00 N ATOM 1349 CA THR A 98 -6.851 3.883 -7.614 1.00 0.00 C ATOM 1350 C THR A 98 -7.028 4.549 -6.254 1.00 0.00 C ATOM 1351 O THR A 98 -8.115 4.527 -5.677 1.00 0.00 O ATOM 1352 CB THR A 98 -7.841 4.510 -8.613 1.00 0.00 C ATOM 1353 OG1 THR A 98 -7.768 3.828 -9.870 1.00 0.00 O ATOM 1354 CG2 THR A 98 -7.542 5.988 -8.815 1.00 0.00 C ATOM 0 H THR A 98 -7.845 2.085 -8.024 1.00 0.00 H new ATOM 0 HA THR A 98 -5.834 4.051 -7.969 1.00 0.00 H new ATOM 0 HB THR A 98 -8.847 4.411 -8.204 1.00 0.00 H new ATOM 0 HG1 THR A 98 -8.402 4.232 -10.499 1.00 0.00 H new ATOM 0 HG21 THR A 98 -8.254 6.410 -9.525 1.00 0.00 H new ATOM 0 HG22 THR A 98 -7.627 6.510 -7.862 1.00 0.00 H new ATOM 0 HG23 THR A 98 -6.530 6.105 -9.203 1.00 0.00 H new ATOM 1362 N VAL A 99 -5.951 5.143 -5.748 1.00 0.00 N ATOM 1363 CA VAL A 99 -5.988 5.819 -4.456 1.00 0.00 C ATOM 1364 C VAL A 99 -5.425 7.231 -4.558 1.00 0.00 C ATOM 1365 O VAL A 99 -4.262 7.423 -4.914 1.00 0.00 O ATOM 1366 CB VAL A 99 -5.195 5.037 -3.391 1.00 0.00 C ATOM 1367 CG1 VAL A 99 -5.235 5.764 -2.055 1.00 0.00 C ATOM 1368 CG2 VAL A 99 -5.738 3.623 -3.255 1.00 0.00 C ATOM 0 H VAL A 99 -5.043 5.170 -6.213 1.00 0.00 H new ATOM 0 HA VAL A 99 -7.034 5.870 -4.155 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.155 4.973 -3.711 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -4.670 5.197 -1.315 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -4.795 6.755 -2.167 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -6.269 5.862 -1.725 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -5.166 3.085 -2.499 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -6.786 3.663 -2.958 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -5.651 3.106 -4.211 1.00 0.00 H new ATOM 1378 N MET A 100 -6.258 8.219 -4.243 1.00 0.00 N ATOM 1379 CA MET A 100 -5.841 9.615 -4.299 1.00 0.00 C ATOM 1380 C MET A 100 -5.343 10.088 -2.937 1.00 0.00 C ATOM 1381 O MET A 100 -6.015 9.905 -1.922 1.00 0.00 O ATOM 1382 CB MET A 100 -7.002 10.498 -4.764 1.00 0.00 C ATOM 1383 CG MET A 100 -6.636 11.967 -4.886 1.00 0.00 C ATOM 1384 SD MET A 100 -8.060 13.009 -5.261 1.00 0.00 S ATOM 1385 CE MET A 100 -8.043 12.976 -7.051 1.00 0.00 C ATOM 0 H MET A 100 -7.224 8.078 -3.947 1.00 0.00 H new ATOM 0 HA MET A 100 -5.023 9.695 -5.014 1.00 0.00 H new ATOM 0 HB2 MET A 100 -7.357 10.139 -5.730 1.00 0.00 H new ATOM 0 HB3 MET A 100 -7.830 10.395 -4.062 1.00 0.00 H new ATOM 0 HG2 MET A 100 -6.180 12.303 -3.954 1.00 0.00 H new ATOM 0 HG3 MET A 100 -5.887 12.087 -5.668 1.00 0.00 H new ATOM 0 HE1 MET A 100 -8.868 13.577 -7.434 1.00 0.00 H new ATOM 0 HE2 MET A 100 -7.099 13.382 -7.413 1.00 0.00 H new ATOM 0 HE3 MET A 100 -8.152 11.948 -7.397 1.00 0.00 H new ATOM 1395 N ALA A 101 -4.162 10.696 -2.922 1.00 0.00 N ATOM 1396 CA ALA A 101 -3.575 11.196 -1.685 1.00 0.00 C ATOM 1397 C ALA A 101 -3.799 12.698 -1.540 1.00 0.00 C ATOM 1398 O ALA A 101 -3.340 13.488 -2.366 1.00 0.00 O ATOM 1399 CB ALA A 101 -2.089 10.875 -1.639 1.00 0.00 C ATOM 0 H ALA A 101 -3.592 10.854 -3.753 1.00 0.00 H new ATOM 0 HA ALA A 101 -4.069 10.699 -0.850 1.00 0.00 H new ATOM 0 HB1 ALA A 101 -1.663 11.254 -0.710 1.00 0.00 H new ATOM 0 HB2 ALA A 101 -1.948 9.795 -1.689 1.00 0.00 H new ATOM 0 HB3 ALA A 101 -1.589 11.345 -2.486 1.00 0.00 H new ATOM 1405 N THR A 102 -4.508 13.086 -0.484 1.00 0.00 N ATOM 1406 CA THR A 102 -4.794 14.493 -0.232 1.00 0.00 C ATOM 1407 C THR A 102 -4.089 14.980 1.029 1.00 0.00 C ATOM 1408 O THR A 102 -3.997 14.254 2.020 1.00 0.00 O ATOM 1409 CB THR A 102 -6.308 14.742 -0.089 1.00 0.00 C ATOM 1410 OG1 THR A 102 -6.879 13.781 0.806 1.00 0.00 O ATOM 1411 CG2 THR A 102 -6.999 14.659 -1.441 1.00 0.00 C ATOM 0 H THR A 102 -4.894 12.446 0.210 1.00 0.00 H new ATOM 0 HA THR A 102 -4.421 15.050 -1.092 1.00 0.00 H new ATOM 0 HB THR A 102 -6.454 15.744 0.314 1.00 0.00 H new ATOM 0 HG1 THR A 102 -7.841 13.946 0.893 1.00 0.00 H new ATOM 0 HG21 THR A 102 -8.067 14.838 -1.315 1.00 0.00 H new ATOM 0 HG22 THR A 102 -6.581 15.411 -2.110 1.00 0.00 H new ATOM 0 HG23 THR A 102 -6.845 13.668 -1.868 1.00 0.00 H new