USER MOD reduce.3.24.130724 H: found=0, std=0, add=364, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 375 hydrogens (14 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 NoAdj-H: B 27 NVA HD2 : B 27 NVA CD : B 29 HIX NE2 :(H bumps) USER MOD NoAdj-H: B 27 NVA H2 : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD NoAdj-H: B 27 NVA H : B 27 NVA N : B 26 TYR C :(H bumps) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.18 X(o=-0.18,f=-0.22) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= -0.024 USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0.715 K(o=0.72,f=-7.4!) USER MOD Single : A 18 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 TYR OH : rot 165:sc= -0.456 USER MOD Single : A 21 ASN : amide:sc= -0.0774 K(o=-0.077,f=-1.4) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= -0.156 K(o=-0.16,f=-1.8) USER MOD Single : B 4 GLN : amide:sc= -0.0362 X(o=-0.036,f=0) USER MOD Single : B 5 HIS : no HE2:sc= -0.367 X(o=-0.37,f=-0.68) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0056 USER MOD Single : B 10 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.097) USER MOD Single : B 16 TYR OH : rot -74:sc= 0.41 USER MOD Single : B 26 TYR OH : rot 180:sc= 0 USER MOD Single : B 30 THR OG1 : rot 44:sc= 0.303 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 2.308 -0.337 1.203 1.00 25.00 N ATOM 2 CA GLY A 1 2.596 0.010 -0.220 1.00 25.00 C ATOM 3 C GLY A 1 1.701 -0.647 -1.266 1.00 25.00 C ATOM 4 O GLY A 1 1.024 -1.622 -1.035 1.00 25.00 O ATOM 0 H1 GLY A 1 2.974 0.164 1.824 1.00 25.00 H new ATOM 0 H2 GLY A 1 1.335 -0.055 1.439 1.00 25.00 H new ATOM 0 H3 GLY A 1 2.413 -1.363 1.338 1.00 25.00 H new ATOM 0 HA2 GLY A 1 2.517 1.091 -0.332 1.00 25.00 H new ATOM 0 HA3 GLY A 1 3.630 -0.259 -0.436 1.00 25.00 H new ATOM 9 N ILE A 2 1.734 -0.099 -2.490 1.00 25.00 N ATOM 10 CA ILE A 2 0.926 -0.581 -3.623 1.00 25.00 C ATOM 11 C ILE A 2 1.036 -2.104 -3.844 1.00 25.00 C ATOM 12 O ILE A 2 0.046 -2.770 -4.123 1.00 25.00 O ATOM 13 CB ILE A 2 1.332 0.211 -4.934 1.00 25.00 C ATOM 14 CG1 ILE A 2 0.506 -0.252 -6.153 1.00 25.00 C ATOM 15 CG2 ILE A 2 2.848 0.064 -5.245 1.00 25.00 C ATOM 16 CD1 ILE A 2 -0.882 0.302 -6.207 1.00 25.00 C ATOM 0 H ILE A 2 2.327 0.697 -2.724 1.00 25.00 H new ATOM 0 HA ILE A 2 -0.120 -0.390 -3.383 1.00 25.00 H new ATOM 0 HB ILE A 2 1.116 1.262 -4.743 1.00 25.00 H new ATOM 0 HG12 ILE A 2 1.033 0.034 -7.063 1.00 25.00 H new ATOM 0 HG13 ILE A 2 0.449 -1.341 -6.146 1.00 25.00 H new ATOM 0 HG21 ILE A 2 3.089 0.620 -6.151 1.00 25.00 H new ATOM 0 HG22 ILE A 2 3.430 0.457 -4.412 1.00 25.00 H new ATOM 0 HG23 ILE A 2 3.089 -0.989 -5.391 1.00 25.00 H new ATOM 0 HD11 ILE A 2 -1.390 -0.075 -7.095 1.00 25.00 H new ATOM 0 HD12 ILE A 2 -1.431 -0.005 -5.317 1.00 25.00 H new ATOM 0 HD13 ILE A 2 -0.838 1.390 -6.249 1.00 25.00 H new ATOM 28 N VAL A 3 2.223 -2.664 -3.680 1.00 25.00 N ATOM 29 CA VAL A 3 2.434 -4.097 -3.886 1.00 25.00 C ATOM 30 C VAL A 3 1.665 -4.907 -2.830 1.00 25.00 C ATOM 31 O VAL A 3 0.989 -5.872 -3.155 1.00 25.00 O ATOM 32 CB VAL A 3 3.958 -4.443 -3.832 1.00 25.00 C ATOM 33 CG1 VAL A 3 4.194 -5.959 -3.964 1.00 25.00 C ATOM 34 CG2 VAL A 3 4.712 -3.695 -4.946 1.00 25.00 C ATOM 0 H VAL A 3 3.060 -2.151 -3.404 1.00 25.00 H new ATOM 0 HA VAL A 3 2.056 -4.362 -4.873 1.00 25.00 H new ATOM 0 HB VAL A 3 4.339 -4.124 -2.862 1.00 25.00 H new ATOM 0 HG11 VAL A 3 5.263 -6.166 -3.923 1.00 25.00 H new ATOM 0 HG12 VAL A 3 3.692 -6.478 -3.147 1.00 25.00 H new ATOM 0 HG13 VAL A 3 3.794 -6.308 -4.916 1.00 25.00 H new ATOM 0 HG21 VAL A 3 5.772 -3.944 -4.898 1.00 25.00 H new ATOM 0 HG22 VAL A 3 4.313 -3.990 -5.917 1.00 25.00 H new ATOM 0 HG23 VAL A 3 4.585 -2.621 -4.813 1.00 25.00 H new ATOM 44 N GLU A 4 1.711 -4.482 -1.575 1.00 25.00 N ATOM 45 CA GLU A 4 1.026 -5.205 -0.496 1.00 25.00 C ATOM 46 C GLU A 4 -0.489 -4.991 -0.529 1.00 25.00 C ATOM 47 O GLU A 4 -1.242 -5.737 0.072 1.00 25.00 O ATOM 48 CB GLU A 4 1.575 -4.758 0.857 1.00 25.00 C ATOM 49 CG GLU A 4 3.036 -5.155 1.066 1.00 25.00 C ATOM 50 CD GLU A 4 3.628 -4.527 2.291 1.00 25.00 C ATOM 51 OE1 GLU A 4 4.258 -3.506 2.257 1.00 25.00 O ATOM 52 OE2 GLU A 4 3.368 -5.167 3.380 1.00 25.00 O ATOM 0 H GLU A 4 2.211 -3.646 -1.273 1.00 25.00 H new ATOM 0 HA GLU A 4 1.214 -6.268 -0.645 1.00 25.00 H new ATOM 0 HB2 GLU A 4 1.482 -3.675 0.941 1.00 25.00 H new ATOM 0 HB3 GLU A 4 0.968 -5.193 1.651 1.00 25.00 H new ATOM 0 HG2 GLU A 4 3.107 -6.240 1.146 1.00 25.00 H new ATOM 0 HG3 GLU A 4 3.618 -4.861 0.193 1.00 25.00 H new ATOM 60 N GLN A 5 -0.932 -3.972 -1.244 1.00 25.00 N ATOM 61 CA GLN A 5 -2.360 -3.689 -1.350 1.00 25.00 C ATOM 62 C GLN A 5 -2.999 -4.344 -2.574 1.00 25.00 C ATOM 63 O GLN A 5 -4.169 -4.686 -2.546 1.00 25.00 O ATOM 64 CB GLN A 5 -2.600 -2.180 -1.393 1.00 25.00 C ATOM 65 CG GLN A 5 -2.256 -1.484 -0.080 1.00 25.00 C ATOM 66 CD GLN A 5 -3.098 -1.971 1.083 1.00 25.00 C ATOM 67 OE1 GLN A 5 -4.314 -2.041 0.995 1.00 25.00 O ATOM 68 NE2 GLN A 5 -2.458 -2.293 2.175 1.00 25.00 N ATOM 0 H GLN A 5 -0.331 -3.328 -1.758 1.00 25.00 H new ATOM 0 HA GLN A 5 -2.832 -4.116 -0.465 1.00 25.00 H new ATOM 0 HB2 GLN A 5 -2.004 -1.746 -2.195 1.00 25.00 H new ATOM 0 HB3 GLN A 5 -3.646 -1.991 -1.635 1.00 25.00 H new ATOM 0 HG2 GLN A 5 -1.202 -1.647 0.147 1.00 25.00 H new ATOM 0 HG3 GLN A 5 -2.394 -0.409 -0.197 1.00 25.00 H new ATOM 0 HE21 GLN A 5 -1.441 -2.221 2.210 1.00 25.00 H new ATOM 0 HE22 GLN A 5 -2.975 -2.616 2.993 1.00 25.00 H new ATOM 77 N CYS A 6 -2.233 -4.511 -3.645 1.00 25.00 N ATOM 78 CA CYS A 6 -2.764 -5.078 -4.894 1.00 25.00 C ATOM 79 C CYS A 6 -2.272 -6.483 -5.212 1.00 25.00 C ATOM 80 O CYS A 6 -3.037 -7.315 -5.688 1.00 25.00 O ATOM 81 CB CYS A 6 -2.380 -4.170 -6.050 1.00 25.00 C ATOM 82 SG CYS A 6 -3.154 -2.534 -5.985 1.00 25.00 S ATOM 0 H CYS A 6 -1.244 -4.265 -3.681 1.00 25.00 H new ATOM 0 HA CYS A 6 -3.843 -5.147 -4.755 1.00 25.00 H new ATOM 0 HB2 CYS A 6 -1.297 -4.049 -6.060 1.00 25.00 H new ATOM 0 HB3 CYS A 6 -2.655 -4.655 -6.987 1.00 25.00 H new ATOM 87 N CYS A 7 -0.995 -6.751 -5.003 1.00 25.00 N ATOM 88 CA CYS A 7 -0.449 -8.061 -5.353 1.00 25.00 C ATOM 89 C CYS A 7 -0.810 -9.060 -4.255 1.00 25.00 C ATOM 90 O CYS A 7 -0.951 -10.251 -4.502 1.00 25.00 O ATOM 91 CB CYS A 7 1.072 -7.969 -5.541 1.00 25.00 C ATOM 92 SG CYS A 7 1.814 -9.371 -6.456 1.00 25.00 S ATOM 0 H CYS A 7 -0.324 -6.097 -4.601 1.00 25.00 H new ATOM 0 HA CYS A 7 -0.878 -8.402 -6.295 1.00 25.00 H new ATOM 0 HB2 CYS A 7 1.304 -7.044 -6.069 1.00 25.00 H new ATOM 0 HB3 CYS A 7 1.543 -7.903 -4.560 1.00 25.00 H new ATOM 97 N THR A 8 -1.008 -8.545 -3.048 1.00 25.00 N ATOM 98 CA THR A 8 -1.377 -9.369 -1.893 1.00 25.00 C ATOM 99 C THR A 8 -2.875 -9.294 -1.571 1.00 25.00 C ATOM 100 O THR A 8 -3.519 -10.314 -1.370 1.00 25.00 O ATOM 101 CB THR A 8 -0.575 -8.907 -0.654 1.00 25.00 C ATOM 102 OG1 THR A 8 0.810 -8.841 -0.998 1.00 25.00 O ATOM 103 CG2 THR A 8 -0.726 -9.866 0.520 1.00 25.00 C ATOM 0 H THR A 8 -0.919 -7.551 -2.838 1.00 25.00 H new ATOM 0 HA THR A 8 -1.143 -10.403 -2.147 1.00 25.00 H new ATOM 0 HB THR A 8 -0.963 -7.933 -0.355 1.00 25.00 H new ATOM 0 HG1 THR A 8 1.327 -8.547 -0.219 1.00 25.00 H new ATOM 0 HG21 THR A 8 -0.145 -9.499 1.366 1.00 25.00 H new ATOM 0 HG22 THR A 8 -1.777 -9.932 0.803 1.00 25.00 H new ATOM 0 HG23 THR A 8 -0.365 -10.853 0.232 1.00 25.00 H new ATOM 111 N SER A 9 -3.439 -8.092 -1.547 1.00 25.00 N ATOM 112 CA SER A 9 -4.863 -7.911 -1.238 1.00 25.00 C ATOM 113 C SER A 9 -5.614 -7.421 -2.472 1.00 25.00 C ATOM 114 O SER A 9 -5.037 -7.310 -3.545 1.00 25.00 O ATOM 115 CB SER A 9 -5.021 -6.911 -0.104 1.00 25.00 C ATOM 116 OG SER A 9 -4.240 -7.302 1.011 1.00 25.00 O ATOM 0 H SER A 9 -2.937 -7.225 -1.737 1.00 25.00 H new ATOM 0 HA SER A 9 -5.281 -8.870 -0.932 1.00 25.00 H new ATOM 0 HB2 SER A 9 -4.717 -5.920 -0.440 1.00 25.00 H new ATOM 0 HB3 SER A 9 -6.070 -6.842 0.185 1.00 25.00 H new ATOM 0 HG SER A 9 -4.350 -6.648 1.733 1.00 25.00 H new ATOM 122 N ILE A 10 -6.904 -7.157 -2.324 1.00 25.00 N ATOM 123 CA ILE A 10 -7.710 -6.623 -3.424 1.00 25.00 C ATOM 124 C ILE A 10 -7.591 -5.107 -3.369 1.00 25.00 C ATOM 125 O ILE A 10 -7.771 -4.507 -2.312 1.00 25.00 O ATOM 126 CB ILE A 10 -9.225 -6.999 -3.264 1.00 25.00 C ATOM 127 CG1 ILE A 10 -9.424 -8.534 -3.314 1.00 25.00 C ATOM 128 CG2 ILE A 10 -10.088 -6.311 -4.344 1.00 25.00 C ATOM 129 CD1 ILE A 10 -9.146 -9.177 -4.685 1.00 25.00 C ATOM 0 H ILE A 10 -7.419 -7.302 -1.456 1.00 25.00 H new ATOM 0 HA ILE A 10 -7.353 -7.038 -4.366 1.00 25.00 H new ATOM 0 HB ILE A 10 -9.551 -6.641 -2.288 1.00 25.00 H new ATOM 0 HG12 ILE A 10 -8.771 -8.995 -2.573 1.00 25.00 H new ATOM 0 HG13 ILE A 10 -10.449 -8.763 -3.022 1.00 25.00 H new ATOM 0 HG21 ILE A 10 -11.133 -6.590 -4.207 1.00 25.00 H new ATOM 0 HG22 ILE A 10 -9.987 -5.229 -4.256 1.00 25.00 H new ATOM 0 HG23 ILE A 10 -9.754 -6.627 -5.332 1.00 25.00 H new ATOM 0 HD11 ILE A 10 -9.311 -10.253 -4.623 1.00 25.00 H new ATOM 0 HD12 ILE A 10 -9.817 -8.749 -5.430 1.00 25.00 H new ATOM 0 HD13 ILE A 10 -8.113 -8.985 -4.974 1.00 25.00 H new ATOM 141 N CYS A 11 -7.349 -4.484 -4.513 1.00 25.00 N ATOM 142 CA CYS A 11 -7.327 -3.029 -4.593 1.00 25.00 C ATOM 143 C CYS A 11 -8.174 -2.604 -5.779 1.00 25.00 C ATOM 144 O CYS A 11 -8.508 -3.417 -6.650 1.00 25.00 O ATOM 145 CB CYS A 11 -5.893 -2.517 -4.723 1.00 25.00 C ATOM 146 SG CYS A 11 -5.116 -2.918 -6.316 1.00 25.00 S ATOM 0 H CYS A 11 -7.166 -4.960 -5.396 1.00 25.00 H new ATOM 0 HA CYS A 11 -7.738 -2.598 -3.680 1.00 25.00 H new ATOM 0 HB2 CYS A 11 -5.889 -1.435 -4.589 1.00 25.00 H new ATOM 0 HB3 CYS A 11 -5.291 -2.940 -3.919 1.00 25.00 H new ATOM 151 N SER A 12 -8.565 -1.343 -5.784 1.00 25.00 N ATOM 152 CA SER A 12 -9.438 -0.794 -6.810 1.00 25.00 C ATOM 153 C SER A 12 -8.855 0.520 -7.310 1.00 25.00 C ATOM 154 O SER A 12 -7.862 1.022 -6.766 1.00 25.00 O ATOM 155 CB SER A 12 -10.830 -0.559 -6.222 1.00 25.00 C ATOM 156 OG SER A 12 -11.787 -0.285 -7.234 1.00 25.00 O ATOM 0 H SER A 12 -8.286 -0.666 -5.074 1.00 25.00 H new ATOM 0 HA SER A 12 -9.518 -1.493 -7.642 1.00 25.00 H new ATOM 0 HB2 SER A 12 -11.140 -1.438 -5.657 1.00 25.00 H new ATOM 0 HB3 SER A 12 -10.793 0.275 -5.521 1.00 25.00 H new ATOM 0 HG SER A 12 -12.665 -0.142 -6.824 1.00 25.00 H new ATOM 162 N LEU A 13 -9.495 1.090 -8.321 1.00 25.00 N ATOM 163 CA LEU A 13 -9.076 2.359 -8.912 1.00 25.00 C ATOM 164 C LEU A 13 -9.010 3.476 -7.860 1.00 25.00 C ATOM 165 O LEU A 13 -8.160 4.367 -7.935 1.00 25.00 O ATOM 166 CB LEU A 13 -10.035 2.738 -10.054 1.00 25.00 C ATOM 167 CG LEU A 13 -11.507 3.058 -9.725 1.00 25.00 C ATOM 168 CD1 LEU A 13 -11.934 4.303 -10.482 1.00 25.00 C ATOM 169 CD2 LEU A 13 -12.411 1.889 -10.092 1.00 25.00 C ATOM 0 H LEU A 13 -10.323 0.686 -8.758 1.00 25.00 H new ATOM 0 HA LEU A 13 -8.070 2.237 -9.315 1.00 25.00 H new ATOM 0 HB2 LEU A 13 -9.615 3.608 -10.560 1.00 25.00 H new ATOM 0 HB3 LEU A 13 -10.030 1.918 -10.772 1.00 25.00 H new ATOM 0 HG LEU A 13 -11.597 3.233 -8.653 1.00 25.00 H new ATOM 0 HD11 LEU A 13 -12.975 4.531 -10.251 1.00 25.00 H new ATOM 0 HD12 LEU A 13 -11.305 5.142 -10.186 1.00 25.00 H new ATOM 0 HD13 LEU A 13 -11.830 4.131 -11.553 1.00 25.00 H new ATOM 0 HD21 LEU A 13 -13.444 2.138 -9.851 1.00 25.00 H new ATOM 0 HD22 LEU A 13 -12.327 1.685 -11.159 1.00 25.00 H new ATOM 0 HD23 LEU A 13 -12.110 1.006 -9.529 1.00 25.00 H new ATOM 181 N TYR A 14 -9.870 3.371 -6.849 1.00 25.00 N ATOM 182 CA TYR A 14 -9.939 4.339 -5.761 1.00 25.00 C ATOM 183 C TYR A 14 -8.620 4.419 -5.005 1.00 25.00 C ATOM 184 O TYR A 14 -8.068 5.493 -4.814 1.00 25.00 O ATOM 185 CB TYR A 14 -11.067 3.928 -4.809 1.00 25.00 C ATOM 186 CG TYR A 14 -11.303 4.907 -3.682 1.00 25.00 C ATOM 187 CD1 TYR A 14 -12.132 6.030 -3.872 1.00 25.00 C ATOM 188 CD2 TYR A 14 -10.716 4.705 -2.411 1.00 25.00 C ATOM 189 CE1 TYR A 14 -12.369 6.945 -2.806 1.00 25.00 C ATOM 190 CE2 TYR A 14 -10.954 5.624 -1.349 1.00 25.00 C ATOM 191 CZ TYR A 14 -11.777 6.727 -1.557 1.00 25.00 C ATOM 192 OH TYR A 14 -12.009 7.598 -0.529 1.00 25.00 O ATOM 0 H TYR A 14 -10.541 2.608 -6.763 1.00 25.00 H new ATOM 0 HA TYR A 14 -10.138 5.326 -6.178 1.00 25.00 H new ATOM 0 HB2 TYR A 14 -11.989 3.817 -5.380 1.00 25.00 H new ATOM 0 HB3 TYR A 14 -10.834 2.951 -4.386 1.00 25.00 H new ATOM 0 HD1 TYR A 14 -12.592 6.199 -4.834 1.00 25.00 H new ATOM 0 HD2 TYR A 14 -10.082 3.847 -2.244 1.00 25.00 H new ATOM 0 HE1 TYR A 14 -13.004 7.805 -2.962 1.00 25.00 H new ATOM 0 HE2 TYR A 14 -10.496 5.465 -0.384 1.00 25.00 H new ATOM 0 HH TYR A 14 -11.524 7.300 0.268 1.00 25.00 H new ATOM 202 N GLN A 15 -8.086 3.277 -4.598 1.00 25.00 N ATOM 203 CA GLN A 15 -6.805 3.271 -3.905 1.00 25.00 C ATOM 204 C GLN A 15 -5.722 3.666 -4.894 1.00 25.00 C ATOM 205 O GLN A 15 -4.836 4.442 -4.570 1.00 25.00 O ATOM 206 CB GLN A 15 -6.490 1.889 -3.322 1.00 25.00 C ATOM 207 CG GLN A 15 -7.403 1.489 -2.160 1.00 25.00 C ATOM 208 CD GLN A 15 -8.522 0.558 -2.583 1.00 25.00 C ATOM 209 OE1 GLN A 15 -9.039 0.652 -3.692 1.00 25.00 O ATOM 210 NE2 GLN A 15 -8.876 -0.364 -1.725 1.00 25.00 N ATOM 0 H GLN A 15 -8.509 2.359 -4.732 1.00 25.00 H new ATOM 0 HA GLN A 15 -6.848 3.978 -3.077 1.00 25.00 H new ATOM 0 HB2 GLN A 15 -6.575 1.143 -4.112 1.00 25.00 H new ATOM 0 HB3 GLN A 15 -5.455 1.876 -2.981 1.00 25.00 H new ATOM 0 HG2 GLN A 15 -6.807 1.005 -1.386 1.00 25.00 H new ATOM 0 HG3 GLN A 15 -7.833 2.387 -1.716 1.00 25.00 H new ATOM 0 HE21 GLN A 15 -8.424 -0.412 -0.812 1.00 25.00 H new ATOM 0 HE22 GLN A 15 -9.604 -1.035 -1.969 1.00 25.00 H new ATOM 219 N LEU A 16 -5.809 3.147 -6.115 1.00 25.00 N ATOM 220 CA LEU A 16 -4.783 3.412 -7.125 1.00 25.00 C ATOM 221 C LEU A 16 -4.539 4.891 -7.402 1.00 25.00 C ATOM 222 O LEU A 16 -3.396 5.300 -7.582 1.00 25.00 O ATOM 223 CB LEU A 16 -5.125 2.683 -8.411 1.00 25.00 C ATOM 224 CG LEU A 16 -4.276 1.419 -8.622 1.00 25.00 C ATOM 225 CD1 LEU A 16 -4.565 0.343 -7.586 1.00 25.00 C ATOM 226 CD2 LEU A 16 -4.541 0.854 -9.995 1.00 25.00 C ATOM 0 H LEU A 16 -6.571 2.546 -6.430 1.00 25.00 H new ATOM 0 HA LEU A 16 -3.848 3.035 -6.711 1.00 25.00 H new ATOM 0 HB2 LEU A 16 -6.180 2.409 -8.399 1.00 25.00 H new ATOM 0 HB3 LEU A 16 -4.981 3.357 -9.255 1.00 25.00 H new ATOM 0 HG LEU A 16 -3.232 1.714 -8.517 1.00 25.00 H new ATOM 0 HD11 LEU A 16 -3.939 -0.528 -7.781 1.00 25.00 H new ATOM 0 HD12 LEU A 16 -4.349 0.729 -6.590 1.00 25.00 H new ATOM 0 HD13 LEU A 16 -5.615 0.055 -7.644 1.00 25.00 H new ATOM 0 HD21 LEU A 16 -3.938 -0.042 -10.142 1.00 25.00 H new ATOM 0 HD22 LEU A 16 -5.597 0.600 -10.086 1.00 25.00 H new ATOM 0 HD23 LEU A 16 -4.280 1.595 -10.750 1.00 25.00 H new ATOM 238 N GLU A 17 -5.584 5.702 -7.359 1.00 25.00 N ATOM 239 CA GLU A 17 -5.420 7.147 -7.545 1.00 25.00 C ATOM 240 C GLU A 17 -4.502 7.756 -6.485 1.00 25.00 C ATOM 241 O GLU A 17 -3.733 8.680 -6.775 1.00 25.00 O ATOM 242 CB GLU A 17 -6.785 7.839 -7.517 1.00 25.00 C ATOM 243 CG GLU A 17 -7.577 7.628 -8.788 1.00 25.00 C ATOM 244 CD GLU A 17 -8.938 8.256 -8.729 1.00 25.00 C ATOM 245 OE1 GLU A 17 -9.795 7.920 -7.960 1.00 25.00 O ATOM 246 OE2 GLU A 17 -9.113 9.183 -9.611 1.00 25.00 O ATOM 0 H GLU A 17 -6.544 5.397 -7.200 1.00 25.00 H new ATOM 0 HA GLU A 17 -4.953 7.304 -8.517 1.00 25.00 H new ATOM 0 HB2 GLU A 17 -7.360 7.464 -6.670 1.00 25.00 H new ATOM 0 HB3 GLU A 17 -6.642 8.908 -7.357 1.00 25.00 H new ATOM 0 HG2 GLU A 17 -7.024 8.045 -9.630 1.00 25.00 H new ATOM 0 HG3 GLU A 17 -7.682 6.559 -8.974 1.00 25.00 H new ATOM 254 N ASN A 18 -4.523 7.215 -5.275 1.00 25.00 N ATOM 255 CA ASN A 18 -3.686 7.746 -4.197 1.00 25.00 C ATOM 256 C ASN A 18 -2.222 7.395 -4.420 1.00 25.00 C ATOM 257 O ASN A 18 -1.336 8.002 -3.837 1.00 25.00 O ATOM 258 CB ASN A 18 -4.151 7.211 -2.839 1.00 25.00 C ATOM 259 CG ASN A 18 -5.473 7.792 -2.409 1.00 25.00 C ATOM 260 OD1 ASN A 18 -5.539 8.906 -1.937 1.00 25.00 O ATOM 261 ND2 ASN A 18 -6.533 7.042 -2.582 1.00 25.00 N ATOM 0 H ASN A 18 -5.102 6.417 -5.012 1.00 25.00 H new ATOM 0 HA ASN A 18 -3.786 8.831 -4.201 1.00 25.00 H new ATOM 0 HB2 ASN A 18 -4.235 6.125 -2.890 1.00 25.00 H new ATOM 0 HB3 ASN A 18 -3.397 7.438 -2.086 1.00 25.00 H new ATOM 0 HD21 ASN A 18 -7.454 7.391 -2.316 1.00 25.00 H new ATOM 0 HD22 ASN A 18 -6.438 6.109 -2.983 1.00 25.00 H new ATOM 268 N TYR A 19 -1.961 6.441 -5.305 1.00 25.00 N ATOM 269 CA TYR A 19 -0.586 6.074 -5.642 1.00 25.00 C ATOM 270 C TYR A 19 -0.142 6.782 -6.907 1.00 25.00 C ATOM 271 O TYR A 19 0.971 6.587 -7.379 1.00 25.00 O ATOM 272 CB TYR A 19 -0.486 4.560 -5.835 1.00 25.00 C ATOM 273 CG TYR A 19 -0.920 3.790 -4.611 1.00 25.00 C ATOM 274 CD1 TYR A 19 -0.257 3.947 -3.376 1.00 25.00 C ATOM 275 CD2 TYR A 19 -2.002 2.899 -4.679 1.00 25.00 C ATOM 276 CE1 TYR A 19 -0.681 3.235 -2.233 1.00 25.00 C ATOM 277 CE2 TYR A 19 -2.429 2.186 -3.555 1.00 25.00 C ATOM 278 CZ TYR A 19 -1.774 2.365 -2.328 1.00 25.00 C ATOM 279 OH TYR A 19 -2.197 1.690 -1.219 1.00 25.00 O ATOM 0 H TYR A 19 -2.676 5.909 -5.801 1.00 25.00 H new ATOM 0 HA TYR A 19 0.066 6.379 -4.824 1.00 25.00 H new ATOM 0 HB2 TYR A 19 -1.102 4.264 -6.684 1.00 25.00 H new ATOM 0 HB3 TYR A 19 0.543 4.296 -6.081 1.00 25.00 H new ATOM 0 HD1 TYR A 19 0.585 4.620 -3.304 1.00 25.00 H new ATOM 0 HD2 TYR A 19 -2.515 2.761 -5.619 1.00 25.00 H new ATOM 0 HE1 TYR A 19 -0.166 3.360 -1.292 1.00 25.00 H new ATOM 0 HE2 TYR A 19 -3.260 1.500 -3.631 1.00 25.00 H new ATOM 0 HH TYR A 19 -3.090 1.321 -1.382 1.00 25.00 H new ATOM 289 N CYS A 20 -1.026 7.611 -7.454 1.00 25.00 N ATOM 290 CA CYS A 20 -0.718 8.381 -8.652 1.00 25.00 C ATOM 291 C CYS A 20 -0.334 9.808 -8.283 1.00 25.00 C ATOM 292 O CYS A 20 0.591 10.383 -8.840 1.00 25.00 O ATOM 293 CB CYS A 20 -1.925 8.404 -9.576 1.00 25.00 C ATOM 294 SG CYS A 20 -1.558 9.175 -11.180 1.00 25.00 S ATOM 0 H CYS A 20 -1.964 7.766 -7.084 1.00 25.00 H new ATOM 0 HA CYS A 20 0.122 7.909 -9.161 1.00 25.00 H new ATOM 0 HB2 CYS A 20 -2.274 7.384 -9.738 1.00 25.00 H new ATOM 0 HB3 CYS A 20 -2.738 8.946 -9.093 1.00 25.00 H new ATOM 299 N ASN A 21 -1.077 10.373 -7.316 1.00 25.00 N ATOM 300 CA ASN A 21 -0.887 11.753 -6.819 1.00 25.00 C ATOM 301 C ASN A 21 -1.094 12.793 -7.940 1.00 25.00 C ATOM 302 O ASN A 21 -2.187 13.095 -8.363 1.00 25.00 O ATOM 303 CB ASN A 21 0.460 11.893 -6.046 1.00 25.00 C ATOM 304 CG ASN A 21 0.584 13.242 -5.386 1.00 25.00 C ATOM 305 OD1 ASN A 21 -0.293 14.073 -5.359 1.00 25.00 O ATOM 306 ND2 ASN A 21 1.742 13.486 -4.796 1.00 25.00 N ATOM 307 OXT ASN A 21 -0.023 13.327 -8.445 1.00 25.00 O ATOM 0 H ASN A 21 -1.838 9.880 -6.849 1.00 25.00 H new ATOM 0 HA ASN A 21 -1.664 11.972 -6.087 1.00 25.00 H new ATOM 0 HB2 ASN A 21 0.530 11.110 -5.291 1.00 25.00 H new ATOM 0 HB3 ASN A 21 1.292 11.746 -6.735 1.00 25.00 H new ATOM 0 HD21 ASN A 21 1.894 14.375 -4.319 1.00 25.00 H new ATOM 0 HD22 ASN A 21 2.483 12.786 -4.818 1.00 25.00 H new TER 315 ASN A 21 ATOM 316 N PHE B 1 -13.064 -0.904 -15.324 1.00 25.00 N ATOM 317 CA PHE B 1 -12.150 -1.325 -14.218 1.00 25.00 C ATOM 318 C PHE B 1 -12.828 -2.180 -13.144 1.00 25.00 C ATOM 319 O PHE B 1 -13.767 -1.801 -12.488 1.00 25.00 O ATOM 320 CB PHE B 1 -11.561 -0.063 -13.565 1.00 25.00 C ATOM 321 CG PHE B 1 -10.369 -0.305 -12.646 1.00 25.00 C ATOM 322 CD1 PHE B 1 -10.522 -1.012 -11.442 1.00 25.00 C ATOM 323 CD2 PHE B 1 -9.107 0.185 -13.004 1.00 25.00 C ATOM 324 CE1 PHE B 1 -9.422 -1.251 -10.623 1.00 25.00 C ATOM 325 CE2 PHE B 1 -8.009 -0.044 -12.166 1.00 25.00 C ATOM 326 CZ PHE B 1 -8.170 -0.770 -10.982 1.00 25.00 C ATOM 0 H1 PHE B 1 -12.536 -0.330 -16.011 1.00 25.00 H new ATOM 0 H2 PHE B 1 -13.446 -1.747 -15.798 1.00 25.00 H new ATOM 0 H3 PHE B 1 -13.847 -0.342 -14.933 1.00 25.00 H new ATOM 0 HA PHE B 1 -11.377 -1.951 -14.663 1.00 25.00 H new ATOM 0 HB2 PHE B 1 -11.258 0.627 -14.353 1.00 25.00 H new ATOM 0 HB3 PHE B 1 -12.346 0.431 -12.993 1.00 25.00 H new ATOM 0 HD1 PHE B 1 -11.498 -1.372 -11.150 1.00 25.00 H new ATOM 0 HD2 PHE B 1 -8.981 0.738 -13.923 1.00 25.00 H new ATOM 0 HE1 PHE B 1 -9.543 -1.811 -9.707 1.00 25.00 H new ATOM 0 HE2 PHE B 1 -7.036 0.341 -12.435 1.00 25.00 H new ATOM 0 HZ PHE B 1 -7.318 -0.957 -10.345 1.00 25.00 H new ATOM 337 N VAL B 2 -12.280 -3.387 -12.934 1.00 25.00 N ATOM 338 CA VAL B 2 -12.773 -4.281 -11.887 1.00 25.00 C ATOM 339 C VAL B 2 -11.687 -4.406 -10.824 1.00 25.00 C ATOM 340 O VAL B 2 -10.489 -4.464 -11.124 1.00 25.00 O ATOM 341 CB VAL B 2 -13.203 -5.672 -12.472 1.00 25.00 C ATOM 342 CG1 VAL B 2 -12.027 -6.401 -13.117 1.00 25.00 C ATOM 343 CG2 VAL B 2 -13.839 -6.550 -11.388 1.00 25.00 C ATOM 0 H VAL B 2 -11.500 -3.760 -13.475 1.00 25.00 H new ATOM 0 HA VAL B 2 -13.673 -3.866 -11.432 1.00 25.00 H new ATOM 0 HB VAL B 2 -13.945 -5.479 -13.247 1.00 25.00 H new ATOM 0 HG11 VAL B 2 -12.365 -7.360 -13.510 1.00 25.00 H new ATOM 0 HG12 VAL B 2 -11.626 -5.796 -13.930 1.00 25.00 H new ATOM 0 HG13 VAL B 2 -11.249 -6.568 -12.372 1.00 25.00 H new ATOM 0 HG21 VAL B 2 -14.128 -7.508 -11.819 1.00 25.00 H new ATOM 0 HG22 VAL B 2 -13.120 -6.715 -10.586 1.00 25.00 H new ATOM 0 HG23 VAL B 2 -14.722 -6.051 -10.987 1.00 25.00 H new ATOM 353 N ASN B 3 -12.114 -4.408 -9.571 1.00 25.00 N ATOM 354 CA ASN B 3 -11.198 -4.536 -8.444 1.00 25.00 C ATOM 355 C ASN B 3 -10.775 -5.995 -8.363 1.00 25.00 C ATOM 356 O ASN B 3 -11.586 -6.892 -8.541 1.00 25.00 O ATOM 357 CB ASN B 3 -11.849 -4.064 -7.136 1.00 25.00 C ATOM 358 CG ASN B 3 -13.051 -4.893 -6.732 1.00 25.00 C ATOM 359 OD1 ASN B 3 -12.927 -5.852 -6.008 1.00 25.00 O ATOM 360 ND2 ASN B 3 -14.225 -4.488 -7.162 1.00 25.00 N ATOM 0 H ASN B 3 -13.095 -4.322 -9.306 1.00 25.00 H new ATOM 0 HA ASN B 3 -10.325 -3.900 -8.593 1.00 25.00 H new ATOM 0 HB2 ASN B 3 -11.108 -4.097 -6.337 1.00 25.00 H new ATOM 0 HB3 ASN B 3 -12.154 -3.023 -7.245 1.00 25.00 H new ATOM 0 HD21 ASN B 3 -15.070 -4.988 -6.885 1.00 25.00 H new ATOM 0 HD22 ASN B 3 -14.291 -3.674 -7.773 1.00 25.00 H new ATOM 367 N GLN B 4 -9.482 -6.216 -8.207 1.00 25.00 N ATOM 368 CA GLN B 4 -8.905 -7.555 -8.302 1.00 25.00 C ATOM 369 C GLN B 4 -7.492 -7.480 -7.766 1.00 25.00 C ATOM 370 O GLN B 4 -7.018 -6.404 -7.393 1.00 25.00 O ATOM 371 CB GLN B 4 -8.871 -8.006 -9.778 1.00 25.00 C ATOM 372 CG GLN B 4 -8.018 -7.100 -10.670 1.00 25.00 C ATOM 373 CD GLN B 4 -8.139 -7.414 -12.140 1.00 25.00 C ATOM 374 OE1 GLN B 4 -7.751 -8.473 -12.602 1.00 25.00 O ATOM 375 NE2 GLN B 4 -8.653 -6.475 -12.887 1.00 25.00 N ATOM 0 H GLN B 4 -8.802 -5.481 -8.012 1.00 25.00 H new ATOM 0 HA GLN B 4 -9.500 -8.269 -7.733 1.00 25.00 H new ATOM 0 HB2 GLN B 4 -8.484 -9.024 -9.831 1.00 25.00 H new ATOM 0 HB3 GLN B 4 -9.889 -8.031 -10.166 1.00 25.00 H new ATOM 0 HG2 GLN B 4 -8.308 -6.063 -10.503 1.00 25.00 H new ATOM 0 HG3 GLN B 4 -6.973 -7.190 -10.372 1.00 25.00 H new ATOM 0 HE21 GLN B 4 -8.967 -5.601 -12.464 1.00 25.00 H new ATOM 0 HE22 GLN B 4 -8.741 -6.615 -13.894 1.00 25.00 H new ATOM 384 N HIS B 5 -6.791 -8.603 -7.782 1.00 25.00 N ATOM 385 CA HIS B 5 -5.375 -8.615 -7.444 1.00 25.00 C ATOM 386 C HIS B 5 -4.611 -8.176 -8.676 1.00 25.00 C ATOM 387 O HIS B 5 -4.906 -8.630 -9.779 1.00 25.00 O ATOM 388 CB HIS B 5 -4.925 -10.016 -7.025 1.00 25.00 C ATOM 389 CG HIS B 5 -5.483 -10.448 -5.707 1.00 25.00 C ATOM 390 ND1 HIS B 5 -4.980 -10.006 -4.487 1.00 25.00 N ATOM 391 CD2 HIS B 5 -6.518 -11.269 -5.378 1.00 25.00 C ATOM 392 CE1 HIS B 5 -5.692 -10.552 -3.507 1.00 25.00 C ATOM 393 NE2 HIS B 5 -6.610 -11.322 -4.021 1.00 25.00 N ATOM 0 H HIS B 5 -7.177 -9.515 -8.024 1.00 25.00 H new ATOM 0 HA HIS B 5 -5.186 -7.944 -6.606 1.00 25.00 H new ATOM 0 HB2 HIS B 5 -5.226 -10.731 -7.791 1.00 25.00 H new ATOM 0 HB3 HIS B 5 -3.836 -10.041 -6.976 1.00 25.00 H new ATOM 0 HD1 HIS B 5 -4.194 -9.368 -4.365 1.00 25.00 H new ATOM 0 HD2 HIS B 5 -7.157 -11.790 -6.075 1.00 25.00 H new ATOM 0 HE1 HIS B 5 -5.535 -10.384 -2.452 1.00 25.00 H new ATOM 402 N LEU B 6 -3.654 -7.285 -8.506 1.00 25.00 N ATOM 403 CA LEU B 6 -2.875 -6.754 -9.625 1.00 25.00 C ATOM 404 C LEU B 6 -1.416 -6.745 -9.225 1.00 25.00 C ATOM 405 O LEU B 6 -1.082 -6.429 -8.094 1.00 25.00 O ATOM 406 CB LEU B 6 -3.319 -5.330 -9.962 1.00 25.00 C ATOM 407 CG LEU B 6 -4.712 -5.200 -10.590 1.00 25.00 C ATOM 408 CD1 LEU B 6 -5.282 -3.818 -10.320 1.00 25.00 C ATOM 409 CD2 LEU B 6 -4.653 -5.475 -12.095 1.00 25.00 C ATOM 0 H LEU B 6 -3.390 -6.906 -7.597 1.00 25.00 H new ATOM 0 HA LEU B 6 -3.029 -7.379 -10.505 1.00 25.00 H new ATOM 0 HB2 LEU B 6 -3.295 -4.736 -9.049 1.00 25.00 H new ATOM 0 HB3 LEU B 6 -2.590 -4.894 -10.645 1.00 25.00 H new ATOM 0 HG LEU B 6 -5.369 -5.942 -10.135 1.00 25.00 H new ATOM 0 HD11 LEU B 6 -6.271 -3.738 -10.771 1.00 25.00 H new ATOM 0 HD12 LEU B 6 -5.360 -3.660 -9.244 1.00 25.00 H new ATOM 0 HD13 LEU B 6 -4.625 -3.063 -10.751 1.00 25.00 H new ATOM 0 HD21 LEU B 6 -5.651 -5.378 -12.522 1.00 25.00 H new ATOM 0 HD22 LEU B 6 -3.984 -4.758 -12.570 1.00 25.00 H new ATOM 0 HD23 LEU B 6 -4.282 -6.486 -12.266 1.00 25.00 H new ATOM 421 N CYS B 7 -0.550 -7.103 -10.154 1.00 25.00 N ATOM 422 CA CYS B 7 0.880 -7.160 -9.872 1.00 25.00 C ATOM 423 C CYS B 7 1.664 -6.884 -11.148 1.00 25.00 C ATOM 424 O CYS B 7 1.098 -6.960 -12.248 1.00 25.00 O ATOM 425 CB CYS B 7 1.235 -8.544 -9.310 1.00 25.00 C ATOM 426 SG CYS B 7 2.614 -8.515 -8.123 1.00 25.00 S ATOM 0 H CYS B 7 -0.806 -7.359 -11.108 1.00 25.00 H new ATOM 0 HA CYS B 7 1.140 -6.403 -9.132 1.00 25.00 H new ATOM 0 HB2 CYS B 7 0.356 -8.966 -8.823 1.00 25.00 H new ATOM 0 HB3 CYS B 7 1.491 -9.208 -10.136 1.00 25.00 H new ATOM 431 N GLY B 8 2.940 -6.558 -11.010 1.00 25.00 N ATOM 432 CA GLY B 8 3.808 -6.344 -12.164 1.00 25.00 C ATOM 433 C GLY B 8 3.278 -5.401 -13.231 1.00 25.00 C ATOM 434 O GLY B 8 2.664 -4.367 -12.945 1.00 25.00 O ATOM 0 H GLY B 8 3.401 -6.435 -10.109 1.00 25.00 H new ATOM 0 HA2 GLY B 8 4.763 -5.958 -11.808 1.00 25.00 H new ATOM 0 HA3 GLY B 8 4.007 -7.310 -12.628 1.00 25.00 H new ATOM 438 N SER B 9 3.492 -5.786 -14.482 1.00 25.00 N ATOM 439 CA SER B 9 3.020 -5.001 -15.624 1.00 25.00 C ATOM 440 C SER B 9 1.508 -4.830 -15.606 1.00 25.00 C ATOM 441 O SER B 9 0.998 -3.808 -16.028 1.00 25.00 O ATOM 442 CB SER B 9 3.454 -5.689 -16.913 1.00 25.00 C ATOM 443 OG SER B 9 3.135 -7.073 -16.848 1.00 25.00 O ATOM 0 H SER B 9 3.990 -6.639 -14.736 1.00 25.00 H new ATOM 0 HA SER B 9 3.460 -4.005 -15.563 1.00 25.00 H new ATOM 0 HB2 SER B 9 2.955 -5.231 -17.767 1.00 25.00 H new ATOM 0 HB3 SER B 9 4.526 -5.560 -17.063 1.00 25.00 H new ATOM 0 HG SER B 9 3.414 -7.512 -17.679 1.00 25.00 H new ATOM 449 N HIS B 10 0.776 -5.805 -15.078 1.00 25.00 N ATOM 450 CA HIS B 10 -0.670 -5.673 -14.970 1.00 25.00 C ATOM 451 C HIS B 10 -1.036 -4.561 -13.993 1.00 25.00 C ATOM 452 O HIS B 10 -1.989 -3.813 -14.220 1.00 25.00 O ATOM 453 CB HIS B 10 -1.311 -6.989 -14.540 1.00 25.00 C ATOM 454 CG HIS B 10 -2.685 -7.158 -15.095 1.00 25.00 C ATOM 455 ND1 HIS B 10 -3.481 -8.288 -14.905 1.00 25.00 N ATOM 456 CD2 HIS B 10 -3.431 -6.337 -15.868 1.00 25.00 C ATOM 457 CE1 HIS B 10 -4.626 -8.112 -15.552 1.00 25.00 C ATOM 458 NE2 HIS B 10 -4.614 -6.946 -16.138 1.00 25.00 N ATOM 0 H HIS B 10 1.154 -6.683 -14.723 1.00 25.00 H new ATOM 0 HA HIS B 10 -1.057 -5.413 -15.955 1.00 25.00 H new ATOM 0 HB2 HIS B 10 -0.685 -7.819 -14.867 1.00 25.00 H new ATOM 0 HB3 HIS B 10 -1.354 -7.031 -13.452 1.00 25.00 H new ATOM 0 HD2 HIS B 10 -3.135 -5.358 -16.214 1.00 25.00 H new ATOM 0 HE1 HIS B 10 -5.439 -8.822 -15.588 1.00 25.00 H new ATOM 0 HE2 HIS B 10 -5.368 -6.557 -16.704 1.00 25.00 H new ATOM 467 N LEU B 11 -0.258 -4.422 -12.926 1.00 25.00 N ATOM 468 CA LEU B 11 -0.467 -3.328 -11.977 1.00 25.00 C ATOM 469 C LEU B 11 -0.182 -2.003 -12.660 1.00 25.00 C ATOM 470 O LEU B 11 -0.951 -1.055 -12.527 1.00 25.00 O ATOM 471 CB LEU B 11 0.459 -3.454 -10.759 1.00 25.00 C ATOM 472 CG LEU B 11 -0.186 -3.268 -9.377 1.00 25.00 C ATOM 473 CD1 LEU B 11 0.891 -3.410 -8.297 1.00 25.00 C ATOM 474 CD2 LEU B 11 -0.880 -1.925 -9.241 1.00 25.00 C ATOM 0 H LEU B 11 0.516 -5.044 -12.695 1.00 25.00 H new ATOM 0 HA LEU B 11 -1.502 -3.376 -11.639 1.00 25.00 H new ATOM 0 HB2 LEU B 11 0.925 -4.439 -10.787 1.00 25.00 H new ATOM 0 HB3 LEU B 11 1.258 -2.720 -10.862 1.00 25.00 H new ATOM 0 HG LEU B 11 -0.949 -4.037 -9.257 1.00 25.00 H new ATOM 0 HD11 LEU B 11 0.440 -3.279 -7.314 1.00 25.00 H new ATOM 0 HD12 LEU B 11 1.342 -4.401 -8.360 1.00 25.00 H new ATOM 0 HD13 LEU B 11 1.659 -2.652 -8.447 1.00 25.00 H new ATOM 0 HD21 LEU B 11 -1.320 -1.842 -8.247 1.00 25.00 H new ATOM 0 HD22 LEU B 11 -0.155 -1.124 -9.385 1.00 25.00 H new ATOM 0 HD23 LEU B 11 -1.665 -1.843 -9.993 1.00 25.00 H new ATOM 486 N VAL B 12 0.912 -1.940 -13.414 1.00 25.00 N ATOM 487 CA VAL B 12 1.263 -0.708 -14.136 1.00 25.00 C ATOM 488 C VAL B 12 0.155 -0.339 -15.121 1.00 25.00 C ATOM 489 O VAL B 12 -0.272 0.812 -15.181 1.00 25.00 O ATOM 490 CB VAL B 12 2.614 -0.852 -14.901 1.00 25.00 C ATOM 491 CG1 VAL B 12 2.940 0.424 -15.695 1.00 25.00 C ATOM 492 CG2 VAL B 12 3.757 -1.152 -13.918 1.00 25.00 C ATOM 0 H VAL B 12 1.566 -2.712 -13.544 1.00 25.00 H new ATOM 0 HA VAL B 12 1.375 0.084 -13.395 1.00 25.00 H new ATOM 0 HB VAL B 12 2.512 -1.681 -15.601 1.00 25.00 H new ATOM 0 HG11 VAL B 12 3.887 0.295 -16.218 1.00 25.00 H new ATOM 0 HG12 VAL B 12 2.148 0.614 -16.420 1.00 25.00 H new ATOM 0 HG13 VAL B 12 3.016 1.269 -15.011 1.00 25.00 H new ATOM 0 HG21 VAL B 12 4.693 -1.250 -14.468 1.00 25.00 H new ATOM 0 HG22 VAL B 12 3.842 -0.337 -13.199 1.00 25.00 H new ATOM 0 HG23 VAL B 12 3.548 -2.082 -13.390 1.00 25.00 H new ATOM 502 N GLU B 13 -0.346 -1.327 -15.851 1.00 25.00 N ATOM 503 CA GLU B 13 -1.437 -1.110 -16.802 1.00 25.00 C ATOM 504 C GLU B 13 -2.671 -0.568 -16.108 1.00 25.00 C ATOM 505 O GLU B 13 -3.301 0.350 -16.598 1.00 25.00 O ATOM 506 CB GLU B 13 -1.793 -2.428 -17.498 1.00 25.00 C ATOM 507 CG GLU B 13 -0.838 -2.796 -18.619 1.00 25.00 C ATOM 508 CD GLU B 13 -0.969 -4.235 -19.055 1.00 25.00 C ATOM 509 OE1 GLU B 13 -0.153 -4.808 -19.699 1.00 25.00 O ATOM 510 OE2 GLU B 13 -2.048 -4.815 -18.645 1.00 25.00 O ATOM 0 H GLU B 13 -0.015 -2.291 -15.805 1.00 25.00 H new ATOM 0 HA GLU B 13 -1.099 -0.379 -17.536 1.00 25.00 H new ATOM 0 HB2 GLU B 13 -1.800 -3.230 -16.759 1.00 25.00 H new ATOM 0 HB3 GLU B 13 -2.803 -2.356 -17.901 1.00 25.00 H new ATOM 0 HG2 GLU B 13 -1.021 -2.145 -19.474 1.00 25.00 H new ATOM 0 HG3 GLU B 13 0.186 -2.613 -18.292 1.00 25.00 H new ATOM 518 N ALA B 14 -3.017 -1.113 -14.950 1.00 25.00 N ATOM 519 CA ALA B 14 -4.185 -0.621 -14.220 1.00 25.00 C ATOM 520 C ALA B 14 -3.994 0.825 -13.788 1.00 25.00 C ATOM 521 O ALA B 14 -4.897 1.640 -13.959 1.00 25.00 O ATOM 522 CB ALA B 14 -4.450 -1.506 -13.026 1.00 25.00 C ATOM 0 H ALA B 14 -2.519 -1.881 -14.500 1.00 25.00 H new ATOM 0 HA ALA B 14 -5.049 -0.653 -14.884 1.00 25.00 H new ATOM 0 HB1 ALA B 14 -5.321 -1.136 -12.485 1.00 25.00 H new ATOM 0 HB2 ALA B 14 -4.638 -2.525 -13.363 1.00 25.00 H new ATOM 0 HB3 ALA B 14 -3.582 -1.497 -12.366 1.00 25.00 H new ATOM 528 N LEU B 15 -2.815 1.144 -13.270 1.00 25.00 N ATOM 529 CA LEU B 15 -2.512 2.509 -12.838 1.00 25.00 C ATOM 530 C LEU B 15 -2.542 3.475 -14.014 1.00 25.00 C ATOM 531 O LEU B 15 -3.035 4.601 -13.905 1.00 25.00 O ATOM 532 CB LEU B 15 -1.147 2.547 -12.151 1.00 25.00 C ATOM 533 CG LEU B 15 -1.167 3.042 -10.694 1.00 25.00 C ATOM 534 CD1 LEU B 15 0.222 2.887 -10.093 1.00 25.00 C ATOM 535 CD2 LEU B 15 -1.624 4.510 -10.582 1.00 25.00 C ATOM 0 H LEU B 15 -2.052 0.480 -13.138 1.00 25.00 H new ATOM 0 HA LEU B 15 -3.277 2.823 -12.128 1.00 25.00 H new ATOM 0 HB2 LEU B 15 -0.718 1.545 -12.173 1.00 25.00 H new ATOM 0 HB3 LEU B 15 -0.484 3.191 -12.729 1.00 25.00 H new ATOM 0 HG LEU B 15 -1.888 2.436 -10.145 1.00 25.00 H new ATOM 0 HD11 LEU B 15 0.213 3.236 -9.061 1.00 25.00 H new ATOM 0 HD12 LEU B 15 0.514 1.837 -10.118 1.00 25.00 H new ATOM 0 HD13 LEU B 15 0.936 3.476 -10.669 1.00 25.00 H new ATOM 0 HD21 LEU B 15 -1.622 4.813 -9.535 1.00 25.00 H new ATOM 0 HD22 LEU B 15 -0.943 5.147 -11.146 1.00 25.00 H new ATOM 0 HD23 LEU B 15 -2.631 4.609 -10.986 1.00 25.00 H new ATOM 547 N TYR B 16 -2.076 3.021 -15.164 1.00 25.00 N ATOM 548 CA TYR B 16 -2.140 3.819 -16.379 1.00 25.00 C ATOM 549 C TYR B 16 -3.592 4.040 -16.824 1.00 25.00 C ATOM 550 O TYR B 16 -3.955 5.132 -17.230 1.00 25.00 O ATOM 551 CB TYR B 16 -1.367 3.124 -17.495 1.00 25.00 C ATOM 552 CG TYR B 16 -1.667 3.701 -18.849 1.00 25.00 C ATOM 553 CD1 TYR B 16 -1.084 4.914 -19.266 1.00 25.00 C ATOM 554 CD2 TYR B 16 -2.563 3.049 -19.727 1.00 25.00 C ATOM 555 CE1 TYR B 16 -1.380 5.461 -20.540 1.00 25.00 C ATOM 556 CE2 TYR B 16 -2.864 3.596 -20.997 1.00 25.00 C ATOM 557 CZ TYR B 16 -2.264 4.794 -21.393 1.00 25.00 C ATOM 558 OH TYR B 16 -2.543 5.307 -22.627 1.00 25.00 O ATOM 0 H TYR B 16 -1.648 2.103 -15.284 1.00 25.00 H new ATOM 0 HA TYR B 16 -1.693 4.791 -16.168 1.00 25.00 H new ATOM 0 HB2 TYR B 16 -0.298 3.206 -17.298 1.00 25.00 H new ATOM 0 HB3 TYR B 16 -1.611 2.062 -17.494 1.00 25.00 H new ATOM 0 HD1 TYR B 16 -0.404 5.433 -18.607 1.00 25.00 H new ATOM 0 HD2 TYR B 16 -3.024 2.121 -19.424 1.00 25.00 H new ATOM 0 HE1 TYR B 16 -0.924 6.390 -20.850 1.00 25.00 H new ATOM 0 HE2 TYR B 16 -3.554 3.090 -21.656 1.00 25.00 H new ATOM 0 HH TYR B 16 -3.135 6.083 -22.533 1.00 25.00 H new ATOM 568 N LEU B 17 -4.425 3.021 -16.732 1.00 25.00 N ATOM 569 CA LEU B 17 -5.793 3.146 -17.201 1.00 25.00 C ATOM 570 C LEU B 17 -6.588 4.098 -16.318 1.00 25.00 C ATOM 571 O LEU B 17 -7.377 4.892 -16.817 1.00 25.00 O ATOM 572 CB LEU B 17 -6.457 1.769 -17.256 1.00 25.00 C ATOM 573 CG LEU B 17 -5.948 0.886 -18.413 1.00 25.00 C ATOM 574 CD1 LEU B 17 -6.283 -0.582 -18.159 1.00 25.00 C ATOM 575 CD2 LEU B 17 -6.527 1.325 -19.761 1.00 25.00 C ATOM 0 H LEU B 17 -4.184 2.109 -16.343 1.00 25.00 H new ATOM 0 HA LEU B 17 -5.777 3.565 -18.207 1.00 25.00 H new ATOM 0 HB2 LEU B 17 -6.283 1.253 -16.312 1.00 25.00 H new ATOM 0 HB3 LEU B 17 -7.535 1.898 -17.355 1.00 25.00 H new ATOM 0 HG LEU B 17 -4.865 1.005 -18.456 1.00 25.00 H new ATOM 0 HD11 LEU B 17 -5.915 -1.188 -18.987 1.00 25.00 H new ATOM 0 HD12 LEU B 17 -5.810 -0.908 -17.233 1.00 25.00 H new ATOM 0 HD13 LEU B 17 -7.363 -0.699 -18.075 1.00 25.00 H new ATOM 0 HD21 LEU B 17 -6.144 0.678 -20.550 1.00 25.00 H new ATOM 0 HD22 LEU B 17 -7.614 1.255 -19.730 1.00 25.00 H new ATOM 0 HD23 LEU B 17 -6.236 2.356 -19.964 1.00 25.00 H new ATOM 587 N VAL B 18 -6.364 4.050 -15.012 1.00 25.00 N ATOM 588 CA VAL B 18 -7.082 4.959 -14.106 1.00 25.00 C ATOM 589 C VAL B 18 -6.499 6.381 -14.104 1.00 25.00 C ATOM 590 O VAL B 18 -7.239 7.363 -14.002 1.00 25.00 O ATOM 591 CB VAL B 18 -7.161 4.392 -12.642 1.00 25.00 C ATOM 592 CG1 VAL B 18 -5.791 4.132 -12.058 1.00 25.00 C ATOM 593 CG2 VAL B 18 -7.925 5.349 -11.707 1.00 25.00 C ATOM 0 H VAL B 18 -5.710 3.412 -14.557 1.00 25.00 H new ATOM 0 HA VAL B 18 -8.097 5.025 -14.499 1.00 25.00 H new ATOM 0 HB VAL B 18 -7.699 3.447 -12.714 1.00 25.00 H new ATOM 0 HG11 VAL B 18 -5.895 3.741 -11.046 1.00 25.00 H new ATOM 0 HG12 VAL B 18 -5.264 3.404 -12.676 1.00 25.00 H new ATOM 0 HG13 VAL B 18 -5.224 5.063 -12.031 1.00 25.00 H new ATOM 0 HG21 VAL B 18 -7.961 4.926 -10.703 1.00 25.00 H new ATOM 0 HG22 VAL B 18 -7.415 6.312 -11.677 1.00 25.00 H new ATOM 0 HG23 VAL B 18 -8.940 5.487 -12.079 1.00 25.00 H new ATOM 603 N CYS B 19 -5.179 6.500 -14.173 1.00 25.00 N ATOM 604 CA CYS B 19 -4.536 7.803 -13.983 1.00 25.00 C ATOM 605 C CYS B 19 -3.647 8.300 -15.110 1.00 25.00 C ATOM 606 O CYS B 19 -3.516 9.497 -15.321 1.00 25.00 O ATOM 607 CB CYS B 19 -3.691 7.740 -12.723 1.00 25.00 C ATOM 608 SG CYS B 19 -3.384 9.384 -12.021 1.00 25.00 S ATOM 0 H CYS B 19 -4.538 5.728 -14.356 1.00 25.00 H new ATOM 0 HA CYS B 19 -5.362 8.512 -13.934 1.00 25.00 H new ATOM 0 HB2 CYS B 19 -4.193 7.118 -11.982 1.00 25.00 H new ATOM 0 HB3 CYS B 19 -2.739 7.260 -12.950 1.00 25.00 H new ATOM 613 N GLY B 20 -3.030 7.393 -15.841 1.00 25.00 N ATOM 614 CA GLY B 20 -2.178 7.796 -16.952 1.00 25.00 C ATOM 615 C GLY B 20 -3.008 8.395 -18.071 1.00 25.00 C ATOM 616 O GLY B 20 -2.562 9.279 -18.776 1.00 25.00 O ATOM 0 H GLY B 20 -3.098 6.386 -15.693 1.00 25.00 H new ATOM 0 HA2 GLY B 20 -1.442 8.523 -16.608 1.00 25.00 H new ATOM 0 HA3 GLY B 20 -1.624 6.934 -17.324 1.00 25.00 H new ATOM 620 N GLU B 21 -4.254 7.964 -18.163 1.00 25.00 N ATOM 621 CA GLU B 21 -5.202 8.506 -19.135 1.00 25.00 C ATOM 622 C GLU B 21 -5.913 9.752 -18.570 1.00 25.00 C ATOM 623 O GLU B 21 -7.022 10.100 -18.990 1.00 25.00 O ATOM 624 CB GLU B 21 -6.243 7.431 -19.487 1.00 25.00 C ATOM 625 CG GLU B 21 -5.661 6.188 -20.168 1.00 25.00 C ATOM 626 CD GLU B 21 -5.533 6.350 -21.655 1.00 25.00 C ATOM 627 OE1 GLU B 21 -6.159 5.710 -22.448 1.00 25.00 O ATOM 628 OE2 GLU B 21 -4.697 7.262 -22.013 1.00 25.00 O ATOM 0 H GLU B 21 -4.642 7.230 -17.570 1.00 25.00 H new ATOM 0 HA GLU B 21 -4.655 8.799 -20.031 1.00 25.00 H new ATOM 0 HB2 GLU B 21 -6.755 7.125 -18.574 1.00 25.00 H new ATOM 0 HB3 GLU B 21 -6.995 7.871 -20.142 1.00 25.00 H new ATOM 0 HG2 GLU B 21 -4.680 5.972 -19.744 1.00 25.00 H new ATOM 0 HG3 GLU B 21 -6.297 5.329 -19.953 1.00 25.00 H new ATOM 636 N ARG B 22 -5.306 10.384 -17.571 1.00 25.00 N ATOM 637 CA ARG B 22 -5.904 11.542 -16.898 1.00 25.00 C ATOM 638 C ARG B 22 -4.881 12.628 -16.580 1.00 25.00 C ATOM 639 O ARG B 22 -5.146 13.810 -16.757 1.00 25.00 O ATOM 640 CB ARG B 22 -6.581 11.069 -15.603 1.00 25.00 C ATOM 641 CG ARG B 22 -7.384 12.156 -14.878 1.00 25.00 C ATOM 642 CD ARG B 22 -8.618 12.545 -15.651 1.00 25.00 C ATOM 643 NE ARG B 22 -9.612 11.454 -15.681 1.00 25.00 N ATOM 644 CZ ARG B 22 -10.837 11.558 -16.185 1.00 25.00 C ATOM 645 NH1 ARG B 22 -11.281 12.672 -16.712 1.00 25.00 N ATOM 646 NH2 ARG B 22 -11.626 10.521 -16.157 1.00 25.00 N ATOM 0 H ARG B 22 -4.393 10.115 -17.204 1.00 25.00 H new ATOM 0 HA ARG B 22 -6.634 11.983 -17.577 1.00 25.00 H new ATOM 0 HB2 ARG B 22 -7.246 10.238 -15.837 1.00 25.00 H new ATOM 0 HB3 ARG B 22 -5.817 10.686 -14.926 1.00 25.00 H new ATOM 0 HG2 ARG B 22 -7.671 11.798 -13.889 1.00 25.00 H new ATOM 0 HG3 ARG B 22 -6.756 13.034 -14.729 1.00 25.00 H new ATOM 0 HD2 ARG B 22 -9.065 13.432 -15.201 1.00 25.00 H new ATOM 0 HD3 ARG B 22 -8.339 12.811 -16.671 1.00 25.00 H new ATOM 0 HE ARG B 22 -9.338 10.554 -15.286 1.00 25.00 H new ATOM 0 HH11 ARG B 22 -10.680 13.496 -16.745 1.00 25.00 H new ATOM 0 HH12 ARG B 22 -12.227 12.716 -17.090 1.00 25.00 H new ATOM 0 HH21 ARG B 22 -11.301 9.643 -15.752 1.00 25.00 H new ATOM 0 HH22 ARG B 22 -12.569 10.587 -16.540 1.00 25.00 H new ATOM 660 N GLY B 23 -3.728 12.213 -16.082 1.00 25.00 N ATOM 661 CA GLY B 23 -2.648 13.117 -15.742 1.00 25.00 C ATOM 662 C GLY B 23 -1.453 12.883 -16.643 1.00 25.00 C ATOM 663 O GLY B 23 -1.589 12.770 -17.853 1.00 25.00 O ATOM 0 H GLY B 23 -3.516 11.232 -15.902 1.00 25.00 H new ATOM 0 HA2 GLY B 23 -2.986 14.149 -15.838 1.00 25.00 H new ATOM 0 HA3 GLY B 23 -2.359 12.972 -14.701 1.00 25.00 H new ATOM 667 N GLY B 24 -0.276 12.799 -16.038 1.00 25.00 N ATOM 668 CA GLY B 24 0.967 12.610 -16.784 1.00 25.00 C ATOM 669 C GLY B 24 1.647 11.265 -16.600 1.00 25.00 C ATOM 670 O GLY B 24 2.382 10.823 -17.477 1.00 25.00 O ATOM 0 H GLY B 24 -0.153 12.859 -15.027 1.00 25.00 H new ATOM 0 HA2 GLY B 24 0.757 12.748 -17.845 1.00 25.00 H new ATOM 0 HA3 GLY B 24 1.667 13.393 -16.493 1.00 25.00 H new ATOM 674 N PHE B 25 1.385 10.624 -15.463 1.00 25.00 N ATOM 675 CA PHE B 25 1.987 9.329 -15.090 1.00 25.00 C ATOM 676 C PHE B 25 3.512 9.422 -14.922 1.00 25.00 C ATOM 677 O PHE B 25 4.096 10.490 -15.065 1.00 25.00 O ATOM 678 CB PHE B 25 1.584 8.246 -16.112 1.00 25.00 C ATOM 679 CG PHE B 25 1.576 6.841 -15.562 1.00 25.00 C ATOM 680 CD1 PHE B 25 0.965 6.548 -14.321 1.00 25.00 C ATOM 681 CD2 PHE B 25 2.159 5.792 -16.299 1.00 25.00 C ATOM 682 CE1 PHE B 25 0.957 5.235 -13.817 1.00 25.00 C ATOM 683 CE2 PHE B 25 2.152 4.458 -15.804 1.00 25.00 C ATOM 684 CZ PHE B 25 1.553 4.183 -14.563 1.00 25.00 C ATOM 0 H PHE B 25 0.741 10.987 -14.760 1.00 25.00 H new ATOM 0 HA PHE B 25 1.596 9.043 -14.114 1.00 25.00 H new ATOM 0 HB2 PHE B 25 0.591 8.478 -16.496 1.00 25.00 H new ATOM 0 HB3 PHE B 25 2.271 8.288 -16.957 1.00 25.00 H new ATOM 0 HD1 PHE B 25 0.500 7.341 -13.754 1.00 25.00 H new ATOM 0 HD2 PHE B 25 2.618 6.003 -17.254 1.00 25.00 H new ATOM 0 HE1 PHE B 25 0.497 5.026 -12.862 1.00 25.00 H new ATOM 0 HE2 PHE B 25 2.604 3.663 -16.378 1.00 25.00 H new ATOM 0 HZ PHE B 25 1.546 3.174 -14.177 1.00 25.00 H new ATOM 694 N TYR B 26 4.141 8.313 -14.531 1.00 25.00 N ATOM 695 CA TYR B 26 5.592 8.281 -14.276 1.00 25.00 C ATOM 696 C TYR B 26 6.276 7.223 -15.155 1.00 25.00 C ATOM 697 O TYR B 26 7.485 7.043 -15.108 1.00 25.00 O ATOM 698 CB TYR B 26 5.861 7.971 -12.800 1.00 25.00 C ATOM 699 CG TYR B 26 5.408 6.582 -12.402 1.00 25.00 C ATOM 700 CD1 TYR B 26 4.083 6.340 -12.004 1.00 25.00 C ATOM 701 CD2 TYR B 26 6.311 5.501 -12.436 1.00 25.00 C ATOM 702 CE1 TYR B 26 3.659 5.038 -11.659 1.00 25.00 C ATOM 703 CE2 TYR B 26 5.891 4.200 -12.086 1.00 25.00 C ATOM 704 CZ TYR B 26 4.565 3.979 -11.701 1.00 25.00 C ATOM 705 OH TYR B 26 4.155 2.708 -11.369 1.00 25.00 O ATOM 0 H TYR B 26 3.672 7.420 -14.382 1.00 25.00 H new ATOM 0 HA TYR B 26 6.002 9.261 -14.522 1.00 25.00 H new ATOM 0 HB2 TYR B 26 6.928 8.072 -12.601 1.00 25.00 H new ATOM 0 HB3 TYR B 26 5.350 8.707 -12.179 1.00 25.00 H new ATOM 0 HD1 TYR B 26 3.380 7.159 -11.961 1.00 25.00 H new ATOM 0 HD2 TYR B 26 7.336 5.670 -12.733 1.00 25.00 H new ATOM 0 HE1 TYR B 26 2.635 4.863 -11.363 1.00 25.00 H new ATOM 0 HE2 TYR B 26 6.591 3.378 -12.115 1.00 25.00 H new ATOM 0 HH TYR B 26 4.910 2.089 -11.452 1.00 25.00 H new HETATM 715 N NVA B 27 5.421 6.522 -15.930 1.00 25.00 N HETATM 716 CA NVA B 27 5.722 5.473 -16.953 1.00 25.00 C HETATM 717 CB NVA B 27 5.552 6.048 -18.398 1.00 25.00 C HETATM 718 CG NVA B 27 4.891 5.010 -19.357 1.00 25.00 C HETATM 719 CD NVA B 27 5.351 5.156 -20.848 1.00 25.00 C HETATM 720 C NVA B 27 7.075 4.669 -16.776 1.00 25.00 C HETATM 721 O NVA B 27 8.121 5.058 -17.279 1.00 25.00 O HETATM 0 HG3 NVA B 27 5.127 4.004 -19.009 1.00 25.00 H new HETATM 0 HG2 NVA B 27 3.808 5.119 -19.307 1.00 25.00 H new HETATM 0 HD3 NVA B 27 5.091 6.149 -21.213 1.00 25.00 H new HETATM 0 HD1 NVA B 27 4.852 4.403 -21.458 1.00 25.00 H new HETATM 0 HB3 NVA B 27 4.941 6.950 -18.361 1.00 25.00 H new HETATM 0 HB2 NVA B 27 6.526 6.338 -18.791 1.00 25.00 H new HETATM 0 HA NVA B 27 4.973 4.701 -16.777 1.00 25.00 H new ATOM 730 N PRO B 28 7.054 3.459 -16.083 1.00 25.00 N ATOM 731 CA PRO B 28 8.256 2.614 -15.946 1.00 25.00 C ATOM 732 C PRO B 28 8.524 1.772 -17.207 1.00 25.00 C ATOM 733 O PRO B 28 8.170 0.589 -17.295 1.00 25.00 O ATOM 734 CB PRO B 28 7.913 1.746 -14.731 1.00 25.00 C ATOM 735 CG PRO B 28 6.432 1.567 -14.828 1.00 25.00 C ATOM 736 CD PRO B 28 5.882 2.857 -15.407 1.00 25.00 C ATOM 0 HA PRO B 28 9.174 3.188 -15.820 1.00 25.00 H new ATOM 0 HB2 PRO B 28 8.435 0.789 -14.763 1.00 25.00 H new ATOM 0 HB3 PRO B 28 8.197 2.233 -13.798 1.00 25.00 H new ATOM 0 HG2 PRO B 28 6.184 0.718 -15.466 1.00 25.00 H new ATOM 0 HG3 PRO B 28 6.000 1.366 -13.848 1.00 25.00 H new ATOM 0 HD2 PRO B 28 5.068 2.668 -16.107 1.00 25.00 H new ATOM 0 HD3 PRO B 28 5.488 3.511 -14.629 1.00 25.00 H new HETATM 744 N HIX B 29 9.139 2.427 -18.208 1.00 25.00 N HETATM 745 CA HIX B 29 9.440 1.855 -19.554 1.00 25.00 C HETATM 746 C HIX B 29 10.458 0.711 -19.518 1.00 25.00 C HETATM 747 O HIX B 29 11.374 0.639 -18.708 1.00 25.00 O HETATM 748 CB HIX B 29 9.845 2.963 -20.557 1.00 25.00 C HETATM 749 CG HIX B 29 8.590 3.625 -21.059 1.00 25.00 C HETATM 750 CD2 HIX B 29 7.578 4.113 -20.275 1.00 25.00 C HETATM 751 ND1 HIX B 29 8.200 3.847 -22.361 1.00 25.00 N HETATM 752 NE1 HIX B 29 6.939 4.454 -22.501 1.00 25.00 N HETATM 753 NE2 HIX B 29 6.655 4.566 -21.138 1.00 25.00 N ATOM 760 N THR B 30 10.253 -0.228 -20.473 1.00 25.00 N ATOM 761 CA THR B 30 11.039 -1.477 -20.643 1.00 25.00 C ATOM 762 C THR B 30 11.075 -1.911 -22.107 1.00 25.00 C ATOM 763 O THR B 30 12.096 -2.009 -22.741 1.00 25.00 O ATOM 764 CB THR B 30 10.470 -2.617 -19.766 1.00 25.00 C ATOM 765 OG1 THR B 30 9.051 -2.579 -19.900 1.00 25.00 O ATOM 766 CG2 THR B 30 10.797 -2.476 -18.279 1.00 25.00 C ATOM 767 OXT THR B 30 9.904 -2.186 -22.615 1.00 25.00 O ATOM 0 H THR B 30 9.513 -0.135 -21.169 1.00 25.00 H new ATOM 0 HA THR B 30 12.058 -1.266 -20.320 1.00 25.00 H new ATOM 0 HB THR B 30 10.921 -3.550 -20.105 1.00 25.00 H new ATOM 0 HG1 THR B 30 8.815 -2.450 -20.842 1.00 25.00 H new ATOM 0 HG21 THR B 30 10.364 -3.313 -17.730 1.00 25.00 H new ATOM 0 HG22 THR B 30 11.878 -2.473 -18.143 1.00 25.00 H new ATOM 0 HG23 THR B 30 10.382 -1.541 -17.902 1.00 25.00 H new TER 776 THR B 30