USER MOD reduce.3.24.130724 H: found=0, std=0, add=375, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 374 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 15 GLN : amide:sc= -0.796 K(o=-0.26,f=-7.4!) USER MOD Set 1.2: A 19 TYR OH : rot 140:sc= 0.537! USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.9!) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0.0153 USER MOD Single : A 12 SER OG : rot 180:sc= -1.91! USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 ASN : amide:sc= -0.453 K(o=-0.45,f=-3.8!) USER MOD Single : A 21 ASN : amide:sc= -0.295 K(o=-0.29,f=-2.6!) USER MOD Single : B 1 PHE N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 4 GLN : amide:sc= -0.161 K(o=-0.16,f=0.85) USER MOD Single : B 5 HIS : no HE2:sc= -3.63! C(o=-3.6!,f=-6.1!) USER MOD Single : B 9 SER OG : rot 180:sc= 0.0307 USER MOD Single : B 16 TYR OH : rot 180:sc= 0 USER MOD Single : B 26 TYR OH : rot 180:sc= -0.083 USER MOD Single : B 27 THR OG1 : rot -90:sc= 0.923 USER MOD Single : B 28 LYS NZ :NH3+ -162:sc= -0.0149 (180deg=-0.281) USER MOD Single : B 30 THR OG1 : rot 16:sc= 1.12 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.254 3.671 4.691 1.00 0.00 N ATOM 2 CA GLY A 1 -9.138 4.526 5.292 1.00 0.00 C ATOM 3 C GLY A 1 -7.743 3.998 5.312 1.00 0.00 C ATOM 4 O GLY A 1 -7.011 4.187 6.262 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.157 4.183 4.756 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.040 3.472 3.693 1.00 0.00 H new ATOM 0 H3 GLY A 1 -10.325 2.775 5.215 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -9.122 5.472 4.750 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.417 4.753 6.321 1.00 0.00 H new ATOM 10 N ILE A 2 -7.340 3.325 4.269 1.00 0.00 N ATOM 11 CA ILE A 2 -5.957 2.771 4.229 1.00 0.00 C ATOM 12 C ILE A 2 -5.073 3.677 3.369 1.00 0.00 C ATOM 13 O ILE A 2 -3.870 3.721 3.530 1.00 0.00 O ATOM 14 CB ILE A 2 -5.997 1.361 3.630 1.00 0.00 C ATOM 15 CG1 ILE A 2 -4.566 0.826 3.462 1.00 0.00 C ATOM 16 CG2 ILE A 2 -6.708 1.393 2.275 1.00 0.00 C ATOM 17 CD1 ILE A 2 -3.914 1.408 2.200 1.00 0.00 C ATOM 0 H ILE A 2 -7.908 3.135 3.443 1.00 0.00 H new ATOM 0 HA ILE A 2 -5.547 2.723 5.238 1.00 0.00 H new ATOM 0 HB ILE A 2 -6.545 0.701 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 2 -3.970 1.085 4.337 1.00 0.00 H new ATOM 0 HG13 ILE A 2 -4.584 -0.262 3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 2 -6.734 0.388 1.854 1.00 0.00 H new ATOM 0 HG22 ILE A 2 -7.727 1.757 2.407 1.00 0.00 H new ATOM 0 HG23 ILE A 2 -6.171 2.057 1.598 1.00 0.00 H new ATOM 0 HD11 ILE A 2 -2.902 1.017 2.100 1.00 0.00 H new ATOM 0 HD12 ILE A 2 -4.500 1.127 1.325 1.00 0.00 H new ATOM 0 HD13 ILE A 2 -3.877 2.495 2.278 1.00 0.00 H new ATOM 29 N VAL A 3 -5.662 4.399 2.456 1.00 0.00 N ATOM 30 CA VAL A 3 -4.858 5.301 1.583 1.00 0.00 C ATOM 31 C VAL A 3 -5.055 6.751 2.020 1.00 0.00 C ATOM 32 O VAL A 3 -4.351 7.636 1.579 1.00 0.00 O ATOM 33 CB VAL A 3 -5.323 5.153 0.137 1.00 0.00 C ATOM 34 CG1 VAL A 3 -5.161 3.702 -0.307 1.00 0.00 C ATOM 35 CG2 VAL A 3 -6.795 5.555 0.038 1.00 0.00 C ATOM 0 H VAL A 3 -6.666 4.404 2.276 1.00 0.00 H new ATOM 0 HA VAL A 3 -3.805 5.033 1.665 1.00 0.00 H new ATOM 0 HB VAL A 3 -4.723 5.796 -0.507 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -5.494 3.598 -1.340 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -4.112 3.414 -0.233 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -5.761 3.056 0.334 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -7.132 5.451 -0.993 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -7.393 4.910 0.682 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -6.911 6.591 0.355 1.00 0.00 H new ATOM 45 N GLU A 4 -6.014 6.998 2.875 1.00 0.00 N ATOM 46 CA GLU A 4 -6.275 8.393 3.341 1.00 0.00 C ATOM 47 C GLU A 4 -4.956 9.154 3.487 1.00 0.00 C ATOM 48 O GLU A 4 -4.901 10.356 3.313 1.00 0.00 O ATOM 49 CB GLU A 4 -6.992 8.351 4.694 1.00 0.00 C ATOM 50 CG GLU A 4 -6.330 7.302 5.590 1.00 0.00 C ATOM 51 CD GLU A 4 -6.566 7.661 7.058 1.00 0.00 C ATOM 52 OE1 GLU A 4 -6.798 8.827 7.332 1.00 0.00 O ATOM 53 OE2 GLU A 4 -6.512 6.765 7.884 1.00 0.00 O ATOM 0 H GLU A 4 -6.631 6.289 3.272 1.00 0.00 H new ATOM 0 HA GLU A 4 -6.900 8.903 2.608 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -6.950 9.330 5.170 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -8.046 8.111 4.552 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -6.740 6.315 5.376 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -5.261 7.255 5.384 1.00 0.00 H new ATOM 60 N GLN A 5 -3.893 8.468 3.806 1.00 0.00 N ATOM 61 CA GLN A 5 -2.584 9.163 3.960 1.00 0.00 C ATOM 62 C GLN A 5 -1.673 8.853 2.767 1.00 0.00 C ATOM 63 O GLN A 5 -1.230 9.742 2.068 1.00 0.00 O ATOM 64 CB GLN A 5 -1.900 8.713 5.259 1.00 0.00 C ATOM 65 CG GLN A 5 -2.416 7.329 5.672 1.00 0.00 C ATOM 66 CD GLN A 5 -1.446 6.699 6.674 1.00 0.00 C ATOM 67 OE1 GLN A 5 -0.451 7.297 7.034 1.00 0.00 O ATOM 68 NE2 GLN A 5 -1.695 5.506 7.142 1.00 0.00 N ATOM 0 H GLN A 5 -3.874 7.461 3.966 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.764 10.237 4.000 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -0.820 8.680 5.118 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -2.096 9.435 6.052 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -3.408 7.417 6.116 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -2.515 6.690 4.795 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -2.530 5.004 6.840 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -1.055 5.076 7.810 1.00 0.00 H new ATOM 77 N CYS A 6 -1.380 7.603 2.536 1.00 0.00 N ATOM 78 CA CYS A 6 -0.488 7.246 1.397 1.00 0.00 C ATOM 79 C CYS A 6 -1.012 7.882 0.108 1.00 0.00 C ATOM 80 O CYS A 6 -0.270 8.114 -0.825 1.00 0.00 O ATOM 81 CB CYS A 6 -0.453 5.726 1.242 1.00 0.00 C ATOM 82 SG CYS A 6 -0.158 4.964 2.857 1.00 0.00 S ATOM 0 H CYS A 6 -1.719 6.814 3.086 1.00 0.00 H new ATOM 0 HA CYS A 6 0.518 7.618 1.594 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -1.396 5.370 0.826 1.00 0.00 H new ATOM 0 HB3 CYS A 6 0.332 5.439 0.543 1.00 0.00 H new ATOM 87 N CYS A 7 -2.283 8.165 0.047 1.00 0.00 N ATOM 88 CA CYS A 7 -2.846 8.785 -1.186 1.00 0.00 C ATOM 89 C CYS A 7 -2.771 10.313 -1.106 1.00 0.00 C ATOM 90 O CYS A 7 -3.060 11.002 -2.063 1.00 0.00 O ATOM 91 CB CYS A 7 -4.302 8.364 -1.357 1.00 0.00 C ATOM 92 SG CYS A 7 -4.409 7.101 -2.648 1.00 0.00 S ATOM 0 H CYS A 7 -2.955 7.995 0.795 1.00 0.00 H new ATOM 0 HA CYS A 7 -2.259 8.445 -2.039 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -4.693 7.974 -0.417 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -4.913 9.226 -1.624 1.00 0.00 H new ATOM 97 N THR A 8 -2.392 10.855 0.020 1.00 0.00 N ATOM 98 CA THR A 8 -2.315 12.341 0.129 1.00 0.00 C ATOM 99 C THR A 8 -0.877 12.768 0.428 1.00 0.00 C ATOM 100 O THR A 8 -0.353 13.679 -0.181 1.00 0.00 O ATOM 101 CB THR A 8 -3.235 12.823 1.254 1.00 0.00 C ATOM 102 OG1 THR A 8 -2.987 14.198 1.509 1.00 0.00 O ATOM 103 CG2 THR A 8 -2.969 12.012 2.521 1.00 0.00 C ATOM 0 H THR A 8 -2.135 10.339 0.862 1.00 0.00 H new ATOM 0 HA THR A 8 -2.632 12.784 -0.815 1.00 0.00 H new ATOM 0 HB THR A 8 -4.274 12.689 0.954 1.00 0.00 H new ATOM 0 HG1 THR A 8 -3.576 14.509 2.228 1.00 0.00 H new ATOM 0 HG21 THR A 8 -3.626 12.358 3.319 1.00 0.00 H new ATOM 0 HG22 THR A 8 -3.161 10.957 2.325 1.00 0.00 H new ATOM 0 HG23 THR A 8 -1.930 12.141 2.824 1.00 0.00 H new ATOM 111 N SER A 9 -0.233 12.123 1.361 1.00 0.00 N ATOM 112 CA SER A 9 1.169 12.502 1.690 1.00 0.00 C ATOM 113 C SER A 9 2.123 11.398 1.215 1.00 0.00 C ATOM 114 O SER A 9 2.350 11.238 0.033 1.00 0.00 O ATOM 115 CB SER A 9 1.300 12.701 3.202 1.00 0.00 C ATOM 116 OG SER A 9 0.541 11.703 3.872 1.00 0.00 O ATOM 0 H SER A 9 -0.616 11.352 1.908 1.00 0.00 H new ATOM 0 HA SER A 9 1.427 13.433 1.186 1.00 0.00 H new ATOM 0 HB2 SER A 9 2.347 12.640 3.500 1.00 0.00 H new ATOM 0 HB3 SER A 9 0.946 13.693 3.482 1.00 0.00 H new ATOM 0 HG SER A 9 0.623 11.825 4.841 1.00 0.00 H new ATOM 122 N ILE A 10 2.685 10.635 2.117 1.00 0.00 N ATOM 123 CA ILE A 10 3.617 9.552 1.694 1.00 0.00 C ATOM 124 C ILE A 10 3.477 8.363 2.647 1.00 0.00 C ATOM 125 O ILE A 10 2.737 8.413 3.609 1.00 0.00 O ATOM 126 CB ILE A 10 5.056 10.071 1.734 1.00 0.00 C ATOM 127 CG1 ILE A 10 5.100 11.494 1.167 1.00 0.00 C ATOM 128 CG2 ILE A 10 5.951 9.161 0.891 1.00 0.00 C ATOM 129 CD1 ILE A 10 4.883 11.447 -0.346 1.00 0.00 C ATOM 0 H ILE A 10 2.539 10.716 3.123 1.00 0.00 H new ATOM 0 HA ILE A 10 3.374 9.238 0.679 1.00 0.00 H new ATOM 0 HB ILE A 10 5.411 10.077 2.764 1.00 0.00 H new ATOM 0 HG12 ILE A 10 4.331 12.108 1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 10 6.060 11.957 1.393 1.00 0.00 H new ATOM 0 HG21 ILE A 10 6.976 9.531 0.920 1.00 0.00 H new ATOM 0 HG22 ILE A 10 5.920 8.148 1.291 1.00 0.00 H new ATOM 0 HG23 ILE A 10 5.596 9.155 -0.140 1.00 0.00 H new ATOM 0 HD11 ILE A 10 4.914 12.459 -0.750 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.668 10.848 -0.808 1.00 0.00 H new ATOM 0 HD13 ILE A 10 3.912 11.001 -0.561 1.00 0.00 H new ATOM 141 N CYS A 11 4.179 7.293 2.389 1.00 0.00 N ATOM 142 CA CYS A 11 4.078 6.107 3.284 1.00 0.00 C ATOM 143 C CYS A 11 5.326 5.235 3.131 1.00 0.00 C ATOM 144 O CYS A 11 5.898 5.132 2.064 1.00 0.00 O ATOM 145 CB CYS A 11 2.844 5.286 2.904 1.00 0.00 C ATOM 146 SG CYS A 11 1.368 6.032 3.638 1.00 0.00 S ATOM 0 H CYS A 11 4.816 7.190 1.599 1.00 0.00 H new ATOM 0 HA CYS A 11 3.994 6.444 4.317 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.742 5.245 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.956 4.259 3.253 1.00 0.00 H new ATOM 151 N SER A 12 5.745 4.598 4.190 1.00 0.00 N ATOM 152 CA SER A 12 6.947 3.724 4.106 1.00 0.00 C ATOM 153 C SER A 12 6.549 2.383 3.487 1.00 0.00 C ATOM 154 O SER A 12 5.506 1.843 3.780 1.00 0.00 O ATOM 155 CB SER A 12 7.506 3.493 5.506 1.00 0.00 C ATOM 156 OG SER A 12 6.501 3.779 6.469 1.00 0.00 O ATOM 0 H SER A 12 5.306 4.646 5.110 1.00 0.00 H new ATOM 0 HA SER A 12 7.707 4.202 3.488 1.00 0.00 H new ATOM 0 HB2 SER A 12 7.841 2.461 5.610 1.00 0.00 H new ATOM 0 HB3 SER A 12 8.376 4.129 5.672 1.00 0.00 H new ATOM 0 HG SER A 12 6.858 3.629 7.369 1.00 0.00 H new ATOM 162 N LEU A 13 7.372 1.842 2.636 1.00 0.00 N ATOM 163 CA LEU A 13 7.037 0.540 1.994 1.00 0.00 C ATOM 164 C LEU A 13 6.768 -0.505 3.070 1.00 0.00 C ATOM 165 O LEU A 13 5.793 -1.234 3.026 1.00 0.00 O ATOM 166 CB LEU A 13 8.220 0.096 1.131 1.00 0.00 C ATOM 167 CG LEU A 13 7.937 -1.271 0.516 1.00 0.00 C ATOM 168 CD1 LEU A 13 8.849 -1.475 -0.695 1.00 0.00 C ATOM 169 CD2 LEU A 13 8.213 -2.367 1.550 1.00 0.00 C ATOM 0 H LEU A 13 8.266 2.246 2.355 1.00 0.00 H new ATOM 0 HA LEU A 13 6.148 0.650 1.374 1.00 0.00 H new ATOM 0 HB2 LEU A 13 8.400 0.827 0.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 9.125 0.050 1.737 1.00 0.00 H new ATOM 0 HG LEU A 13 6.894 -1.322 0.205 1.00 0.00 H new ATOM 0 HD11 LEU A 13 8.651 -2.451 -1.139 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.656 -0.695 -1.432 1.00 0.00 H new ATOM 0 HD13 LEU A 13 9.891 -1.425 -0.378 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.010 -3.343 1.109 1.00 0.00 H new ATOM 0 HD22 LEU A 13 9.257 -2.319 1.861 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.569 -2.220 2.417 1.00 0.00 H new ATOM 181 N TYR A 14 7.627 -0.582 4.036 1.00 0.00 N ATOM 182 CA TYR A 14 7.423 -1.588 5.121 1.00 0.00 C ATOM 183 C TYR A 14 6.082 -1.323 5.799 1.00 0.00 C ATOM 184 O TYR A 14 5.458 -2.217 6.335 1.00 0.00 O ATOM 185 CB TYR A 14 8.556 -1.547 6.162 1.00 0.00 C ATOM 186 CG TYR A 14 9.308 -0.238 6.109 1.00 0.00 C ATOM 187 CD1 TYR A 14 10.381 -0.083 5.222 1.00 0.00 C ATOM 188 CD2 TYR A 14 8.946 0.816 6.959 1.00 0.00 C ATOM 189 CE1 TYR A 14 11.089 1.126 5.180 1.00 0.00 C ATOM 190 CE2 TYR A 14 9.656 2.023 6.920 1.00 0.00 C ATOM 191 CZ TYR A 14 10.727 2.179 6.030 1.00 0.00 C ATOM 192 OH TYR A 14 11.425 3.368 5.992 1.00 0.00 O ATOM 0 H TYR A 14 8.459 0.000 4.129 1.00 0.00 H new ATOM 0 HA TYR A 14 7.430 -2.582 4.673 1.00 0.00 H new ATOM 0 HB2 TYR A 14 8.140 -1.689 7.160 1.00 0.00 H new ATOM 0 HB3 TYR A 14 9.246 -2.372 5.983 1.00 0.00 H new ATOM 0 HD1 TYR A 14 10.663 -0.896 4.570 1.00 0.00 H new ATOM 0 HD2 TYR A 14 8.120 0.698 7.644 1.00 0.00 H new ATOM 0 HE1 TYR A 14 11.913 1.246 4.493 1.00 0.00 H new ATOM 0 HE2 TYR A 14 9.378 2.834 7.577 1.00 0.00 H new ATOM 0 HH TYR A 14 11.044 3.992 6.644 1.00 0.00 H new ATOM 202 N GLN A 15 5.623 -0.107 5.761 1.00 0.00 N ATOM 203 CA GLN A 15 4.317 0.211 6.381 1.00 0.00 C ATOM 204 C GLN A 15 3.207 -0.322 5.473 1.00 0.00 C ATOM 205 O GLN A 15 2.123 -0.644 5.915 1.00 0.00 O ATOM 206 CB GLN A 15 4.216 1.734 6.561 1.00 0.00 C ATOM 207 CG GLN A 15 3.512 2.392 5.366 1.00 0.00 C ATOM 208 CD GLN A 15 2.043 2.641 5.708 1.00 0.00 C ATOM 209 OE1 GLN A 15 1.170 2.381 4.904 1.00 0.00 O ATOM 210 NE2 GLN A 15 1.729 3.137 6.873 1.00 0.00 N ATOM 0 H GLN A 15 6.100 0.682 5.325 1.00 0.00 H new ATOM 0 HA GLN A 15 4.217 -0.257 7.360 1.00 0.00 H new ATOM 0 HB2 GLN A 15 3.669 1.959 7.477 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.215 2.156 6.675 1.00 0.00 H new ATOM 0 HG2 GLN A 15 4.002 3.333 5.116 1.00 0.00 H new ATOM 0 HG3 GLN A 15 3.588 1.750 4.488 1.00 0.00 H new ATOM 0 HE21 GLN A 15 2.461 3.355 7.548 1.00 0.00 H new ATOM 0 HE22 GLN A 15 0.751 3.306 7.108 1.00 0.00 H new ATOM 219 N LEU A 16 3.487 -0.428 4.205 1.00 0.00 N ATOM 220 CA LEU A 16 2.474 -0.950 3.253 1.00 0.00 C ATOM 221 C LEU A 16 2.209 -2.418 3.570 1.00 0.00 C ATOM 222 O LEU A 16 1.132 -2.929 3.346 1.00 0.00 O ATOM 223 CB LEU A 16 3.012 -0.823 1.827 1.00 0.00 C ATOM 224 CG LEU A 16 2.640 0.541 1.242 1.00 0.00 C ATOM 225 CD1 LEU A 16 1.182 0.519 0.797 1.00 0.00 C ATOM 226 CD2 LEU A 16 2.829 1.639 2.292 1.00 0.00 C ATOM 0 H LEU A 16 4.381 -0.173 3.786 1.00 0.00 H new ATOM 0 HA LEU A 16 1.548 -0.382 3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 16 4.095 -0.944 1.827 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.603 -1.618 1.204 1.00 0.00 H new ATOM 0 HG LEU A 16 3.287 0.748 0.390 1.00 0.00 H new ATOM 0 HD11 LEU A 16 0.914 1.490 0.380 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.045 -0.252 0.039 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.543 0.304 1.654 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.561 2.604 1.862 1.00 0.00 H new ATOM 0 HD22 LEU A 16 2.190 1.435 3.151 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.871 1.661 2.612 1.00 0.00 H new ATOM 238 N GLU A 17 3.185 -3.099 4.101 1.00 0.00 N ATOM 239 CA GLU A 17 2.987 -4.533 4.447 1.00 0.00 C ATOM 240 C GLU A 17 1.746 -4.655 5.343 1.00 0.00 C ATOM 241 O GLU A 17 1.151 -5.707 5.459 1.00 0.00 O ATOM 242 CB GLU A 17 4.236 -5.044 5.184 1.00 0.00 C ATOM 243 CG GLU A 17 3.859 -6.142 6.185 1.00 0.00 C ATOM 244 CD GLU A 17 5.017 -7.133 6.322 1.00 0.00 C ATOM 245 OE1 GLU A 17 6.074 -6.720 6.768 1.00 0.00 O ATOM 246 OE2 GLU A 17 4.824 -8.288 5.979 1.00 0.00 O ATOM 0 H GLU A 17 4.111 -2.725 4.310 1.00 0.00 H new ATOM 0 HA GLU A 17 2.838 -5.131 3.548 1.00 0.00 H new ATOM 0 HB2 GLU A 17 4.957 -5.432 4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 17 4.720 -4.219 5.706 1.00 0.00 H new ATOM 0 HG2 GLU A 17 3.629 -5.700 7.155 1.00 0.00 H new ATOM 0 HG3 GLU A 17 2.961 -6.661 5.850 1.00 0.00 H new ATOM 253 N ASN A 18 1.364 -3.585 5.981 1.00 0.00 N ATOM 254 CA ASN A 18 0.173 -3.630 6.880 1.00 0.00 C ATOM 255 C ASN A 18 -1.080 -3.973 6.073 1.00 0.00 C ATOM 256 O ASN A 18 -2.089 -4.372 6.617 1.00 0.00 O ATOM 257 CB ASN A 18 -0.013 -2.265 7.545 1.00 0.00 C ATOM 258 CG ASN A 18 0.373 -2.359 9.021 1.00 0.00 C ATOM 259 OD1 ASN A 18 0.573 -3.439 9.541 1.00 0.00 O ATOM 260 ND2 ASN A 18 0.486 -1.266 9.724 1.00 0.00 N ATOM 0 H ASN A 18 1.825 -2.677 5.920 1.00 0.00 H new ATOM 0 HA ASN A 18 0.330 -4.394 7.641 1.00 0.00 H new ATOM 0 HB2 ASN A 18 0.603 -1.518 7.044 1.00 0.00 H new ATOM 0 HB3 ASN A 18 -1.049 -1.940 7.449 1.00 0.00 H new ATOM 0 HD21 ASN A 18 0.742 -1.318 10.710 1.00 0.00 H new ATOM 0 HD22 ASN A 18 0.318 -0.359 9.288 1.00 0.00 H new ATOM 267 N TYR A 19 -1.027 -3.812 4.782 1.00 0.00 N ATOM 268 CA TYR A 19 -2.218 -4.120 3.945 1.00 0.00 C ATOM 269 C TYR A 19 -2.001 -5.440 3.202 1.00 0.00 C ATOM 270 O TYR A 19 -2.193 -5.530 2.006 1.00 0.00 O ATOM 271 CB TYR A 19 -2.427 -2.990 2.936 1.00 0.00 C ATOM 272 CG TYR A 19 -2.065 -1.673 3.580 1.00 0.00 C ATOM 273 CD1 TYR A 19 -2.482 -1.397 4.890 1.00 0.00 C ATOM 274 CD2 TYR A 19 -1.311 -0.726 2.872 1.00 0.00 C ATOM 275 CE1 TYR A 19 -2.147 -0.176 5.489 1.00 0.00 C ATOM 276 CE2 TYR A 19 -0.976 0.495 3.472 1.00 0.00 C ATOM 277 CZ TYR A 19 -1.394 0.770 4.782 1.00 0.00 C ATOM 278 OH TYR A 19 -1.067 1.972 5.374 1.00 0.00 O ATOM 0 H TYR A 19 -0.210 -3.480 4.270 1.00 0.00 H new ATOM 0 HA TYR A 19 -3.098 -4.211 4.582 1.00 0.00 H new ATOM 0 HB2 TYR A 19 -1.811 -3.157 2.052 1.00 0.00 H new ATOM 0 HB3 TYR A 19 -3.465 -2.972 2.603 1.00 0.00 H new ATOM 0 HD1 TYR A 19 -3.061 -2.126 5.437 1.00 0.00 H new ATOM 0 HD2 TYR A 19 -0.988 -0.938 1.863 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -2.470 0.036 6.498 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -0.396 1.224 2.926 1.00 0.00 H new ATOM 0 HH TYR A 19 -0.144 2.210 5.144 1.00 0.00 H new ATOM 288 N CYS A 20 -1.604 -6.469 3.903 1.00 0.00 N ATOM 289 CA CYS A 20 -1.379 -7.781 3.239 1.00 0.00 C ATOM 290 C CYS A 20 -2.143 -8.876 3.985 1.00 0.00 C ATOM 291 O CYS A 20 -2.584 -9.847 3.402 1.00 0.00 O ATOM 292 CB CYS A 20 0.114 -8.109 3.243 1.00 0.00 C ATOM 293 SG CYS A 20 1.051 -6.658 2.703 1.00 0.00 S ATOM 0 H CYS A 20 -1.426 -6.455 4.907 1.00 0.00 H new ATOM 0 HA CYS A 20 -1.737 -7.728 2.211 1.00 0.00 H new ATOM 0 HB2 CYS A 20 0.429 -8.407 4.243 1.00 0.00 H new ATOM 0 HB3 CYS A 20 0.314 -8.952 2.581 1.00 0.00 H new ATOM 298 N ASN A 21 -2.301 -8.727 5.267 1.00 0.00 N ATOM 299 CA ASN A 21 -3.035 -9.756 6.054 1.00 0.00 C ATOM 300 C ASN A 21 -4.242 -9.111 6.739 1.00 0.00 C ATOM 301 O ASN A 21 -4.093 -8.671 7.867 1.00 0.00 O ATOM 302 CB ASN A 21 -2.102 -10.348 7.115 1.00 0.00 C ATOM 303 CG ASN A 21 -1.441 -11.614 6.566 1.00 0.00 C ATOM 304 OD1 ASN A 21 -1.980 -12.267 5.695 1.00 0.00 O ATOM 305 ND2 ASN A 21 -0.284 -11.989 7.041 1.00 0.00 N ATOM 306 OXT ASN A 21 -5.294 -9.066 6.122 1.00 0.00 O ATOM 0 H ASN A 21 -1.953 -7.935 5.807 1.00 0.00 H new ATOM 0 HA ASN A 21 -3.377 -10.548 5.387 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.341 -9.619 7.392 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.664 -10.582 8.019 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.167 -12.830 6.681 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.169 -11.441 7.772 1.00 0.00 H new TER 313 ASN A 21 ATOM 314 N PHE B 1 10.520 1.453 -3.948 1.00 0.00 N ATOM 315 CA PHE B 1 9.518 2.365 -3.327 1.00 0.00 C ATOM 316 C PHE B 1 10.214 3.639 -2.849 1.00 0.00 C ATOM 317 O PHE B 1 11.293 3.598 -2.292 1.00 0.00 O ATOM 318 CB PHE B 1 8.862 1.664 -2.134 1.00 0.00 C ATOM 319 CG PHE B 1 7.432 2.133 -1.997 1.00 0.00 C ATOM 320 CD1 PHE B 1 6.584 2.127 -3.113 1.00 0.00 C ATOM 321 CD2 PHE B 1 6.954 2.571 -0.756 1.00 0.00 C ATOM 322 CE1 PHE B 1 5.257 2.561 -2.986 1.00 0.00 C ATOM 323 CE2 PHE B 1 5.628 3.005 -0.629 1.00 0.00 C ATOM 324 CZ PHE B 1 4.780 3.000 -1.744 1.00 0.00 C ATOM 0 H1 PHE B 1 10.046 0.586 -4.273 1.00 0.00 H new ATOM 0 H2 PHE B 1 10.967 1.928 -4.758 1.00 0.00 H new ATOM 0 H3 PHE B 1 11.248 1.207 -3.247 1.00 0.00 H new ATOM 0 HA PHE B 1 8.756 2.622 -4.063 1.00 0.00 H new ATOM 0 HB2 PHE B 1 8.890 0.583 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE B 1 9.416 1.882 -1.221 1.00 0.00 H new ATOM 0 HD1 PHE B 1 6.953 1.788 -4.070 1.00 0.00 H new ATOM 0 HD2 PHE B 1 7.608 2.574 0.104 1.00 0.00 H new ATOM 0 HE1 PHE B 1 4.603 2.557 -3.845 1.00 0.00 H new ATOM 0 HE2 PHE B 1 5.260 3.343 0.328 1.00 0.00 H new ATOM 0 HZ PHE B 1 3.758 3.335 -1.646 1.00 0.00 H new ATOM 336 N VAL B 2 9.606 4.775 -3.061 1.00 0.00 N ATOM 337 CA VAL B 2 10.233 6.051 -2.618 1.00 0.00 C ATOM 338 C VAL B 2 9.210 6.876 -1.835 1.00 0.00 C ATOM 339 O VAL B 2 8.110 6.432 -1.575 1.00 0.00 O ATOM 340 CB VAL B 2 10.701 6.845 -3.840 1.00 0.00 C ATOM 341 CG1 VAL B 2 12.109 6.396 -4.231 1.00 0.00 C ATOM 342 CG2 VAL B 2 9.744 6.595 -5.006 1.00 0.00 C ATOM 0 H VAL B 2 8.702 4.873 -3.522 1.00 0.00 H new ATOM 0 HA VAL B 2 11.089 5.831 -1.980 1.00 0.00 H new ATOM 0 HB VAL B 2 10.713 7.908 -3.600 1.00 0.00 H new ATOM 0 HG11 VAL B 2 12.443 6.961 -5.101 1.00 0.00 H new ATOM 0 HG12 VAL B 2 12.791 6.573 -3.400 1.00 0.00 H new ATOM 0 HG13 VAL B 2 12.098 5.333 -4.471 1.00 0.00 H new ATOM 0 HG21 VAL B 2 10.076 7.160 -5.877 1.00 0.00 H new ATOM 0 HG22 VAL B 2 9.733 5.532 -5.246 1.00 0.00 H new ATOM 0 HG23 VAL B 2 8.740 6.915 -4.728 1.00 0.00 H new ATOM 352 N ASN B 3 9.565 8.073 -1.458 1.00 0.00 N ATOM 353 CA ASN B 3 8.612 8.925 -0.692 1.00 0.00 C ATOM 354 C ASN B 3 7.830 9.813 -1.662 1.00 0.00 C ATOM 355 O ASN B 3 8.259 10.894 -2.012 1.00 0.00 O ATOM 356 CB ASN B 3 9.390 9.803 0.289 1.00 0.00 C ATOM 357 CG ASN B 3 9.794 8.973 1.510 1.00 0.00 C ATOM 358 OD1 ASN B 3 9.160 9.043 2.543 1.00 0.00 O ATOM 359 ND2 ASN B 3 10.830 8.184 1.433 1.00 0.00 N ATOM 0 H ASN B 3 10.473 8.498 -1.647 1.00 0.00 H new ATOM 0 HA ASN B 3 7.918 8.290 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN B 3 10.277 10.210 -0.196 1.00 0.00 H new ATOM 0 HB3 ASN B 3 8.778 10.650 0.599 1.00 0.00 H new ATOM 0 HD21 ASN B 3 11.107 7.626 2.241 1.00 0.00 H new ATOM 0 HD22 ASN B 3 11.363 8.125 0.565 1.00 0.00 H new ATOM 366 N GLN B 4 6.683 9.367 -2.098 1.00 0.00 N ATOM 367 CA GLN B 4 5.877 10.181 -3.042 1.00 0.00 C ATOM 368 C GLN B 4 4.399 9.824 -2.880 1.00 0.00 C ATOM 369 O GLN B 4 4.035 8.984 -2.080 1.00 0.00 O ATOM 370 CB GLN B 4 6.318 9.885 -4.476 1.00 0.00 C ATOM 371 CG GLN B 4 6.254 8.377 -4.729 1.00 0.00 C ATOM 372 CD GLN B 4 5.798 8.119 -6.166 1.00 0.00 C ATOM 373 OE1 GLN B 4 4.615 8.097 -6.446 1.00 0.00 O ATOM 374 NE2 GLN B 4 6.692 7.922 -7.096 1.00 0.00 N ATOM 0 H GLN B 4 6.271 8.471 -1.838 1.00 0.00 H new ATOM 0 HA GLN B 4 6.024 11.240 -2.829 1.00 0.00 H new ATOM 0 HB2 GLN B 4 5.674 10.410 -5.181 1.00 0.00 H new ATOM 0 HB3 GLN B 4 7.333 10.249 -4.638 1.00 0.00 H new ATOM 0 HG2 GLN B 4 7.233 7.928 -4.561 1.00 0.00 H new ATOM 0 HG3 GLN B 4 5.563 7.909 -4.028 1.00 0.00 H new ATOM 0 HE21 GLN B 4 7.684 7.940 -6.861 1.00 0.00 H new ATOM 0 HE22 GLN B 4 6.398 7.750 -8.057 1.00 0.00 H new ATOM 383 N HIS B 5 3.547 10.456 -3.633 1.00 0.00 N ATOM 384 CA HIS B 5 2.090 10.159 -3.529 1.00 0.00 C ATOM 385 C HIS B 5 1.727 9.045 -4.514 1.00 0.00 C ATOM 386 O HIS B 5 2.234 8.990 -5.617 1.00 0.00 O ATOM 387 CB HIS B 5 1.290 11.417 -3.863 1.00 0.00 C ATOM 388 CG HIS B 5 1.833 12.578 -3.075 1.00 0.00 C ATOM 389 ND1 HIS B 5 1.182 13.052 -1.956 1.00 0.00 N ATOM 390 CD2 HIS B 5 2.954 13.341 -3.251 1.00 0.00 C ATOM 391 CE1 HIS B 5 1.916 14.074 -1.490 1.00 0.00 C ATOM 392 NE2 HIS B 5 3.009 14.287 -2.251 1.00 0.00 N ATOM 0 H HIS B 5 3.795 11.169 -4.319 1.00 0.00 H new ATOM 0 HA HIS B 5 1.854 9.838 -2.514 1.00 0.00 H new ATOM 0 HB2 HIS B 5 1.351 11.627 -4.931 1.00 0.00 H new ATOM 0 HB3 HIS B 5 0.237 11.265 -3.628 1.00 0.00 H new ATOM 0 HD1 HIS B 5 0.312 12.695 -1.560 1.00 0.00 H new ATOM 0 HD2 HIS B 5 3.678 13.222 -4.044 1.00 0.00 H new ATOM 0 HE1 HIS B 5 1.663 14.654 -0.615 1.00 0.00 H new ATOM 400 N LEU B 6 0.856 8.155 -4.124 1.00 0.00 N ATOM 401 CA LEU B 6 0.467 7.047 -5.035 1.00 0.00 C ATOM 402 C LEU B 6 -0.973 6.616 -4.746 1.00 0.00 C ATOM 403 O LEU B 6 -1.450 6.720 -3.635 1.00 0.00 O ATOM 404 CB LEU B 6 1.431 5.854 -4.865 1.00 0.00 C ATOM 405 CG LEU B 6 1.477 5.329 -3.412 1.00 0.00 C ATOM 406 CD1 LEU B 6 1.859 6.445 -2.438 1.00 0.00 C ATOM 407 CD2 LEU B 6 0.120 4.747 -3.008 1.00 0.00 C ATOM 0 H LEU B 6 0.398 8.149 -3.213 1.00 0.00 H new ATOM 0 HA LEU B 6 0.528 7.396 -6.066 1.00 0.00 H new ATOM 0 HB2 LEU B 6 1.124 5.046 -5.530 1.00 0.00 H new ATOM 0 HB3 LEU B 6 2.433 6.155 -5.170 1.00 0.00 H new ATOM 0 HG LEU B 6 2.234 4.546 -3.367 1.00 0.00 H new ATOM 0 HD11 LEU B 6 1.884 6.049 -1.423 1.00 0.00 H new ATOM 0 HD12 LEU B 6 2.842 6.835 -2.700 1.00 0.00 H new ATOM 0 HD13 LEU B 6 1.123 7.247 -2.497 1.00 0.00 H new ATOM 0 HD21 LEU B 6 0.171 4.382 -1.982 1.00 0.00 H new ATOM 0 HD22 LEU B 6 -0.644 5.521 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU B 6 -0.135 3.923 -3.674 1.00 0.00 H new ATOM 419 N CYS B 7 -1.667 6.131 -5.741 1.00 0.00 N ATOM 420 CA CYS B 7 -3.076 5.690 -5.530 1.00 0.00 C ATOM 421 C CYS B 7 -3.455 4.655 -6.593 1.00 0.00 C ATOM 422 O CYS B 7 -2.715 4.400 -7.522 1.00 0.00 O ATOM 423 CB CYS B 7 -4.021 6.891 -5.652 1.00 0.00 C ATOM 424 SG CYS B 7 -3.725 8.052 -4.296 1.00 0.00 S ATOM 0 H CYS B 7 -1.318 6.021 -6.693 1.00 0.00 H new ATOM 0 HA CYS B 7 -3.164 5.252 -4.536 1.00 0.00 H new ATOM 0 HB2 CYS B 7 -3.867 7.390 -6.609 1.00 0.00 H new ATOM 0 HB3 CYS B 7 -5.057 6.553 -5.632 1.00 0.00 H new ATOM 429 N GLY B 8 -4.616 4.071 -6.468 1.00 0.00 N ATOM 430 CA GLY B 8 -5.073 3.066 -7.473 1.00 0.00 C ATOM 431 C GLY B 8 -4.042 1.943 -7.638 1.00 0.00 C ATOM 432 O GLY B 8 -3.519 1.406 -6.678 1.00 0.00 O ATOM 0 H GLY B 8 -5.273 4.248 -5.708 1.00 0.00 H new ATOM 0 HA2 GLY B 8 -6.028 2.644 -7.161 1.00 0.00 H new ATOM 0 HA3 GLY B 8 -5.239 3.556 -8.433 1.00 0.00 H new ATOM 436 N SER B 9 -3.765 1.578 -8.862 1.00 0.00 N ATOM 437 CA SER B 9 -2.789 0.482 -9.125 1.00 0.00 C ATOM 438 C SER B 9 -1.446 0.814 -8.483 1.00 0.00 C ATOM 439 O SER B 9 -0.596 -0.038 -8.329 1.00 0.00 O ATOM 440 CB SER B 9 -2.607 0.315 -10.633 1.00 0.00 C ATOM 441 OG SER B 9 -3.863 0.468 -11.278 1.00 0.00 O ATOM 0 H SER B 9 -4.177 1.996 -9.696 1.00 0.00 H new ATOM 0 HA SER B 9 -3.169 -0.446 -8.697 1.00 0.00 H new ATOM 0 HB2 SER B 9 -1.900 1.054 -11.009 1.00 0.00 H new ATOM 0 HB3 SER B 9 -2.189 -0.667 -10.854 1.00 0.00 H new ATOM 0 HG SER B 9 -3.749 0.363 -12.246 1.00 0.00 H new ATOM 447 N ASP B 10 -1.237 2.040 -8.108 1.00 0.00 N ATOM 448 CA ASP B 10 0.062 2.393 -7.478 1.00 0.00 C ATOM 449 C ASP B 10 0.055 1.919 -6.030 1.00 0.00 C ATOM 450 O ASP B 10 1.069 1.518 -5.492 1.00 0.00 O ATOM 451 CB ASP B 10 0.277 3.906 -7.534 1.00 0.00 C ATOM 452 CG ASP B 10 0.081 4.396 -8.969 1.00 0.00 C ATOM 453 OD1 ASP B 10 0.741 3.870 -9.849 1.00 0.00 O ATOM 454 OD2 ASP B 10 -0.726 5.291 -9.164 1.00 0.00 O ATOM 0 H ASP B 10 -1.901 2.808 -8.208 1.00 0.00 H new ATOM 0 HA ASP B 10 0.875 1.907 -8.018 1.00 0.00 H new ATOM 0 HB2 ASP B 10 -0.424 4.409 -6.868 1.00 0.00 H new ATOM 0 HB3 ASP B 10 1.280 4.155 -7.187 1.00 0.00 H new ATOM 459 N LEU B 11 -1.080 1.935 -5.401 1.00 0.00 N ATOM 460 CA LEU B 11 -1.146 1.457 -3.996 1.00 0.00 C ATOM 461 C LEU B 11 -0.814 -0.024 -3.991 1.00 0.00 C ATOM 462 O LEU B 11 -0.253 -0.546 -3.048 1.00 0.00 O ATOM 463 CB LEU B 11 -2.550 1.671 -3.431 1.00 0.00 C ATOM 464 CG LEU B 11 -2.949 3.135 -3.598 1.00 0.00 C ATOM 465 CD1 LEU B 11 -4.470 3.236 -3.718 1.00 0.00 C ATOM 466 CD2 LEU B 11 -2.482 3.932 -2.380 1.00 0.00 C ATOM 0 H LEU B 11 -1.964 2.257 -5.796 1.00 0.00 H new ATOM 0 HA LEU B 11 -0.439 2.011 -3.378 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -3.263 1.028 -3.947 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -2.575 1.394 -2.377 1.00 0.00 H new ATOM 0 HG LEU B 11 -2.484 3.539 -4.497 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -4.757 4.281 -3.837 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -4.805 2.666 -4.585 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -4.934 2.833 -2.818 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -2.766 4.978 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -2.948 3.529 -1.481 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -1.398 3.859 -2.291 1.00 0.00 H new ATOM 478 N VAL B 12 -1.133 -0.704 -5.053 1.00 0.00 N ATOM 479 CA VAL B 12 -0.804 -2.150 -5.114 1.00 0.00 C ATOM 480 C VAL B 12 0.608 -2.302 -5.656 1.00 0.00 C ATOM 481 O VAL B 12 1.392 -3.047 -5.125 1.00 0.00 O ATOM 482 CB VAL B 12 -1.777 -2.915 -6.009 1.00 0.00 C ATOM 483 CG1 VAL B 12 -3.084 -3.146 -5.254 1.00 0.00 C ATOM 484 CG2 VAL B 12 -2.048 -2.134 -7.295 1.00 0.00 C ATOM 0 H VAL B 12 -1.603 -0.325 -5.875 1.00 0.00 H new ATOM 0 HA VAL B 12 -0.882 -2.566 -4.110 1.00 0.00 H new ATOM 0 HB VAL B 12 -1.335 -3.875 -6.276 1.00 0.00 H new ATOM 0 HG11 VAL B 12 -3.780 -3.692 -5.891 1.00 0.00 H new ATOM 0 HG12 VAL B 12 -2.886 -3.726 -4.352 1.00 0.00 H new ATOM 0 HG13 VAL B 12 -3.520 -2.186 -4.979 1.00 0.00 H new ATOM 0 HG21 VAL B 12 -2.743 -2.694 -7.921 1.00 0.00 H new ATOM 0 HG22 VAL B 12 -2.482 -1.165 -7.048 1.00 0.00 H new ATOM 0 HG23 VAL B 12 -1.113 -1.986 -7.835 1.00 0.00 H new ATOM 494 N GLU B 13 0.959 -1.584 -6.696 1.00 0.00 N ATOM 495 CA GLU B 13 2.345 -1.705 -7.221 1.00 0.00 C ATOM 496 C GLU B 13 3.285 -1.688 -6.022 1.00 0.00 C ATOM 497 O GLU B 13 4.272 -2.395 -5.962 1.00 0.00 O ATOM 498 CB GLU B 13 2.654 -0.522 -8.145 1.00 0.00 C ATOM 499 CG GLU B 13 4.165 -0.418 -8.359 1.00 0.00 C ATOM 500 CD GLU B 13 4.474 -0.467 -9.858 1.00 0.00 C ATOM 501 OE1 GLU B 13 3.687 -1.048 -10.586 1.00 0.00 O ATOM 502 OE2 GLU B 13 5.492 0.078 -10.250 1.00 0.00 O ATOM 0 H GLU B 13 0.353 -0.931 -7.193 1.00 0.00 H new ATOM 0 HA GLU B 13 2.466 -2.625 -7.793 1.00 0.00 H new ATOM 0 HB2 GLU B 13 2.149 -0.654 -9.102 1.00 0.00 H new ATOM 0 HB3 GLU B 13 2.274 0.402 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU B 13 4.541 0.511 -7.930 1.00 0.00 H new ATOM 0 HG3 GLU B 13 4.673 -1.235 -7.845 1.00 0.00 H new ATOM 509 N ALA B 14 2.929 -0.901 -5.052 1.00 0.00 N ATOM 510 CA ALA B 14 3.724 -0.804 -3.803 1.00 0.00 C ATOM 511 C ALA B 14 3.562 -2.094 -3.002 1.00 0.00 C ATOM 512 O ALA B 14 4.516 -2.684 -2.546 1.00 0.00 O ATOM 513 CB ALA B 14 3.198 0.374 -2.985 1.00 0.00 C ATOM 0 H ALA B 14 2.100 -0.307 -5.073 1.00 0.00 H new ATOM 0 HA ALA B 14 4.778 -0.655 -4.036 1.00 0.00 H new ATOM 0 HB1 ALA B 14 3.771 0.461 -2.062 1.00 0.00 H new ATOM 0 HB2 ALA B 14 3.300 1.293 -3.563 1.00 0.00 H new ATOM 0 HB3 ALA B 14 2.147 0.210 -2.746 1.00 0.00 H new ATOM 519 N LEU B 15 2.355 -2.534 -2.835 1.00 0.00 N ATOM 520 CA LEU B 15 2.112 -3.789 -2.072 1.00 0.00 C ATOM 521 C LEU B 15 2.459 -4.983 -2.960 1.00 0.00 C ATOM 522 O LEU B 15 3.349 -5.758 -2.675 1.00 0.00 O ATOM 523 CB LEU B 15 0.635 -3.858 -1.678 1.00 0.00 C ATOM 524 CG LEU B 15 0.448 -3.254 -0.286 1.00 0.00 C ATOM 525 CD1 LEU B 15 -0.739 -2.289 -0.304 1.00 0.00 C ATOM 526 CD2 LEU B 15 0.179 -4.374 0.722 1.00 0.00 C ATOM 0 H LEU B 15 1.517 -2.078 -3.195 1.00 0.00 H new ATOM 0 HA LEU B 15 2.729 -3.807 -1.174 1.00 0.00 H new ATOM 0 HB2 LEU B 15 0.029 -3.317 -2.405 1.00 0.00 H new ATOM 0 HB3 LEU B 15 0.294 -4.893 -1.685 1.00 0.00 H new ATOM 0 HG LEU B 15 1.350 -2.714 0.001 1.00 0.00 H new ATOM 0 HD11 LEU B 15 -0.873 -1.858 0.688 1.00 0.00 H new ATOM 0 HD12 LEU B 15 -0.549 -1.492 -1.023 1.00 0.00 H new ATOM 0 HD13 LEU B 15 -1.642 -2.828 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU B 15 0.045 -3.945 1.715 1.00 0.00 H new ATOM 0 HD22 LEU B 15 -0.724 -4.913 0.435 1.00 0.00 H new ATOM 0 HD23 LEU B 15 1.024 -5.063 0.735 1.00 0.00 H new ATOM 538 N TYR B 16 1.741 -5.109 -4.035 1.00 0.00 N ATOM 539 CA TYR B 16 1.951 -6.212 -5.018 1.00 0.00 C ATOM 540 C TYR B 16 3.391 -6.751 -4.969 1.00 0.00 C ATOM 541 O TYR B 16 3.605 -7.944 -5.046 1.00 0.00 O ATOM 542 CB TYR B 16 1.633 -5.664 -6.425 1.00 0.00 C ATOM 543 CG TYR B 16 2.505 -6.316 -7.474 1.00 0.00 C ATOM 544 CD1 TYR B 16 2.385 -7.686 -7.730 1.00 0.00 C ATOM 545 CD2 TYR B 16 3.433 -5.545 -8.188 1.00 0.00 C ATOM 546 CE1 TYR B 16 3.194 -8.290 -8.702 1.00 0.00 C ATOM 547 CE2 TYR B 16 4.243 -6.149 -9.161 1.00 0.00 C ATOM 548 CZ TYR B 16 4.122 -7.522 -9.418 1.00 0.00 C ATOM 549 OH TYR B 16 4.919 -8.117 -10.374 1.00 0.00 O ATOM 0 H TYR B 16 0.987 -4.469 -4.285 1.00 0.00 H new ATOM 0 HA TYR B 16 1.292 -7.044 -4.771 1.00 0.00 H new ATOM 0 HB2 TYR B 16 0.583 -5.842 -6.659 1.00 0.00 H new ATOM 0 HB3 TYR B 16 1.785 -4.585 -6.441 1.00 0.00 H new ATOM 0 HD1 TYR B 16 1.669 -8.278 -7.179 1.00 0.00 H new ATOM 0 HD2 TYR B 16 3.524 -4.487 -7.989 1.00 0.00 H new ATOM 0 HE1 TYR B 16 3.102 -9.348 -8.899 1.00 0.00 H new ATOM 0 HE2 TYR B 16 4.959 -5.557 -9.712 1.00 0.00 H new ATOM 0 HH TYR B 16 5.505 -7.443 -10.777 1.00 0.00 H new ATOM 559 N LEU B 17 4.384 -5.904 -4.868 1.00 0.00 N ATOM 560 CA LEU B 17 5.780 -6.447 -4.850 1.00 0.00 C ATOM 561 C LEU B 17 6.315 -6.571 -3.417 1.00 0.00 C ATOM 562 O LEU B 17 7.222 -7.338 -3.166 1.00 0.00 O ATOM 563 CB LEU B 17 6.726 -5.572 -5.684 1.00 0.00 C ATOM 564 CG LEU B 17 6.134 -4.180 -5.882 1.00 0.00 C ATOM 565 CD1 LEU B 17 6.147 -3.445 -4.547 1.00 0.00 C ATOM 566 CD2 LEU B 17 6.977 -3.407 -6.899 1.00 0.00 C ATOM 0 H LEU B 17 4.297 -4.890 -4.799 1.00 0.00 H new ATOM 0 HA LEU B 17 5.741 -7.442 -5.292 1.00 0.00 H new ATOM 0 HB2 LEU B 17 7.693 -5.495 -5.186 1.00 0.00 H new ATOM 0 HB3 LEU B 17 6.903 -6.039 -6.653 1.00 0.00 H new ATOM 0 HG LEU B 17 5.111 -4.261 -6.250 1.00 0.00 H new ATOM 0 HD11 LEU B 17 5.726 -2.448 -4.676 1.00 0.00 H new ATOM 0 HD12 LEU B 17 5.552 -3.999 -3.821 1.00 0.00 H new ATOM 0 HD13 LEU B 17 7.173 -3.362 -4.187 1.00 0.00 H new ATOM 0 HD21 LEU B 17 6.554 -2.412 -7.041 1.00 0.00 H new ATOM 0 HD22 LEU B 17 7.999 -3.318 -6.531 1.00 0.00 H new ATOM 0 HD23 LEU B 17 6.979 -3.940 -7.850 1.00 0.00 H new ATOM 578 N VAL B 18 5.777 -5.850 -2.469 1.00 0.00 N ATOM 579 CA VAL B 18 6.305 -5.994 -1.076 1.00 0.00 C ATOM 580 C VAL B 18 5.726 -7.256 -0.440 1.00 0.00 C ATOM 581 O VAL B 18 6.418 -8.013 0.210 1.00 0.00 O ATOM 582 CB VAL B 18 5.938 -4.776 -0.223 1.00 0.00 C ATOM 583 CG1 VAL B 18 6.308 -3.500 -0.969 1.00 0.00 C ATOM 584 CG2 VAL B 18 4.441 -4.775 0.079 1.00 0.00 C ATOM 0 H VAL B 18 5.014 -5.183 -2.590 1.00 0.00 H new ATOM 0 HA VAL B 18 7.392 -6.067 -1.124 1.00 0.00 H new ATOM 0 HB VAL B 18 6.489 -4.823 0.716 1.00 0.00 H new ATOM 0 HG11 VAL B 18 6.046 -2.634 -0.361 1.00 0.00 H new ATOM 0 HG12 VAL B 18 7.380 -3.493 -1.168 1.00 0.00 H new ATOM 0 HG13 VAL B 18 5.763 -3.459 -1.912 1.00 0.00 H new ATOM 0 HG21 VAL B 18 4.193 -3.904 0.686 1.00 0.00 H new ATOM 0 HG22 VAL B 18 3.881 -4.737 -0.856 1.00 0.00 H new ATOM 0 HG23 VAL B 18 4.179 -5.683 0.623 1.00 0.00 H new ATOM 594 N CYS B 19 4.464 -7.485 -0.629 1.00 0.00 N ATOM 595 CA CYS B 19 3.823 -8.697 -0.047 1.00 0.00 C ATOM 596 C CYS B 19 3.561 -9.716 -1.157 1.00 0.00 C ATOM 597 O CYS B 19 2.650 -10.517 -1.076 1.00 0.00 O ATOM 598 CB CYS B 19 2.502 -8.305 0.617 1.00 0.00 C ATOM 599 SG CYS B 19 2.844 -7.406 2.151 1.00 0.00 S ATOM 0 H CYS B 19 3.840 -6.882 -1.165 1.00 0.00 H new ATOM 0 HA CYS B 19 4.484 -9.138 0.699 1.00 0.00 H new ATOM 0 HB2 CYS B 19 1.913 -7.684 -0.058 1.00 0.00 H new ATOM 0 HB3 CYS B 19 1.910 -9.196 0.829 1.00 0.00 H new ATOM 604 N GLY B 20 4.350 -9.690 -2.196 1.00 0.00 N ATOM 605 CA GLY B 20 4.145 -10.655 -3.313 1.00 0.00 C ATOM 606 C GLY B 20 4.014 -12.072 -2.753 1.00 0.00 C ATOM 607 O GLY B 20 4.670 -12.436 -1.798 1.00 0.00 O ATOM 0 H GLY B 20 5.128 -9.042 -2.320 1.00 0.00 H new ATOM 0 HA2 GLY B 20 3.249 -10.391 -3.874 1.00 0.00 H new ATOM 0 HA3 GLY B 20 4.983 -10.604 -4.008 1.00 0.00 H new ATOM 611 N GLU B 21 3.171 -12.875 -3.344 1.00 0.00 N ATOM 612 CA GLU B 21 2.997 -14.270 -2.851 1.00 0.00 C ATOM 613 C GLU B 21 2.672 -14.249 -1.357 1.00 0.00 C ATOM 614 O GLU B 21 2.823 -15.238 -0.665 1.00 0.00 O ATOM 615 CB GLU B 21 4.288 -15.053 -3.082 1.00 0.00 C ATOM 616 CG GLU B 21 3.988 -16.554 -3.066 1.00 0.00 C ATOM 617 CD GLU B 21 4.726 -17.235 -4.220 1.00 0.00 C ATOM 618 OE1 GLU B 21 4.639 -16.735 -5.330 1.00 0.00 O ATOM 619 OE2 GLU B 21 5.368 -18.243 -3.974 1.00 0.00 O ATOM 0 H GLU B 21 2.595 -12.624 -4.148 1.00 0.00 H new ATOM 0 HA GLU B 21 2.179 -14.747 -3.391 1.00 0.00 H new ATOM 0 HB2 GLU B 21 4.731 -14.771 -4.037 1.00 0.00 H new ATOM 0 HB3 GLU B 21 5.016 -14.809 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU B 21 4.299 -16.988 -2.115 1.00 0.00 H new ATOM 0 HG3 GLU B 21 2.915 -16.722 -3.157 1.00 0.00 H new ATOM 626 N ARG B 22 2.225 -13.133 -0.853 1.00 0.00 N ATOM 627 CA ARG B 22 1.888 -13.053 0.595 1.00 0.00 C ATOM 628 C ARG B 22 0.386 -12.806 0.752 1.00 0.00 C ATOM 629 O ARG B 22 -0.074 -12.348 1.779 1.00 0.00 O ATOM 630 CB ARG B 22 2.666 -11.903 1.238 1.00 0.00 C ATOM 631 CG ARG B 22 3.307 -12.386 2.541 1.00 0.00 C ATOM 632 CD ARG B 22 4.756 -12.796 2.274 1.00 0.00 C ATOM 633 NE ARG B 22 5.543 -12.688 3.534 1.00 0.00 N ATOM 634 CZ ARG B 22 6.325 -13.667 3.900 1.00 0.00 C ATOM 635 NH1 ARG B 22 7.173 -14.177 3.050 1.00 0.00 N ATOM 636 NH2 ARG B 22 6.259 -14.134 5.117 1.00 0.00 N ATOM 0 H ARG B 22 2.079 -12.273 -1.381 1.00 0.00 H new ATOM 0 HA ARG B 22 2.157 -13.989 1.085 1.00 0.00 H new ATOM 0 HB2 ARG B 22 3.434 -11.543 0.554 1.00 0.00 H new ATOM 0 HB3 ARG B 22 1.998 -11.065 1.438 1.00 0.00 H new ATOM 0 HG2 ARG B 22 3.274 -11.595 3.290 1.00 0.00 H new ATOM 0 HG3 ARG B 22 2.747 -13.230 2.943 1.00 0.00 H new ATOM 0 HD2 ARG B 22 4.792 -13.818 1.896 1.00 0.00 H new ATOM 0 HD3 ARG B 22 5.190 -12.157 1.505 1.00 0.00 H new ATOM 0 HE ARG B 22 5.471 -11.850 4.110 1.00 0.00 H new ATOM 0 HH11 ARG B 22 7.225 -13.811 2.099 1.00 0.00 H new ATOM 0 HH12 ARG B 22 7.784 -14.942 3.336 1.00 0.00 H new ATOM 0 HH21 ARG B 22 5.597 -13.734 5.782 1.00 0.00 H new ATOM 0 HH22 ARG B 22 6.870 -14.899 5.404 1.00 0.00 H new ATOM 650 N GLY B 23 -0.380 -13.107 -0.260 1.00 0.00 N ATOM 651 CA GLY B 23 -1.851 -12.892 -0.169 1.00 0.00 C ATOM 652 C GLY B 23 -2.138 -11.419 0.125 1.00 0.00 C ATOM 653 O GLY B 23 -1.975 -10.956 1.237 1.00 0.00 O ATOM 0 H GLY B 23 -0.051 -13.492 -1.145 1.00 0.00 H new ATOM 0 HA2 GLY B 23 -2.330 -13.187 -1.103 1.00 0.00 H new ATOM 0 HA3 GLY B 23 -2.272 -13.519 0.617 1.00 0.00 H new ATOM 657 N ALA B 24 -2.563 -10.677 -0.861 1.00 0.00 N ATOM 658 CA ALA B 24 -2.860 -9.235 -0.634 1.00 0.00 C ATOM 659 C ALA B 24 -4.344 -8.972 -0.902 1.00 0.00 C ATOM 660 O ALA B 24 -5.175 -9.146 -0.033 1.00 0.00 O ATOM 661 CB ALA B 24 -2.007 -8.384 -1.577 1.00 0.00 C ATOM 0 H ALA B 24 -2.717 -11.007 -1.814 1.00 0.00 H new ATOM 0 HA ALA B 24 -2.628 -8.973 0.398 1.00 0.00 H new ATOM 0 HB1 ALA B 24 -2.224 -7.329 -1.411 1.00 0.00 H new ATOM 0 HB2 ALA B 24 -0.951 -8.572 -1.382 1.00 0.00 H new ATOM 0 HB3 ALA B 24 -2.237 -8.644 -2.610 1.00 0.00 H new ATOM 667 N PHE B 25 -4.681 -8.560 -2.099 1.00 0.00 N ATOM 668 CA PHE B 25 -6.110 -8.285 -2.433 1.00 0.00 C ATOM 669 C PHE B 25 -6.809 -7.631 -1.239 1.00 0.00 C ATOM 670 O PHE B 25 -7.582 -8.257 -0.541 1.00 0.00 O ATOM 671 CB PHE B 25 -6.821 -9.596 -2.790 1.00 0.00 C ATOM 672 CG PHE B 25 -6.199 -10.743 -2.030 1.00 0.00 C ATOM 673 CD1 PHE B 25 -6.689 -11.095 -0.765 1.00 0.00 C ATOM 674 CD2 PHE B 25 -5.132 -11.458 -2.591 1.00 0.00 C ATOM 675 CE1 PHE B 25 -6.112 -12.161 -0.061 1.00 0.00 C ATOM 676 CE2 PHE B 25 -4.555 -12.523 -1.887 1.00 0.00 C ATOM 677 CZ PHE B 25 -5.045 -12.874 -0.623 1.00 0.00 C ATOM 0 H PHE B 25 -4.023 -8.402 -2.862 1.00 0.00 H new ATOM 0 HA PHE B 25 -6.151 -7.608 -3.286 1.00 0.00 H new ATOM 0 HB2 PHE B 25 -7.881 -9.522 -2.549 1.00 0.00 H new ATOM 0 HB3 PHE B 25 -6.750 -9.778 -3.862 1.00 0.00 H new ATOM 0 HD1 PHE B 25 -7.511 -10.545 -0.332 1.00 0.00 H new ATOM 0 HD2 PHE B 25 -4.755 -11.188 -3.566 1.00 0.00 H new ATOM 0 HE1 PHE B 25 -6.490 -12.432 0.914 1.00 0.00 H new ATOM 0 HE2 PHE B 25 -3.732 -13.073 -2.319 1.00 0.00 H new ATOM 0 HZ PHE B 25 -4.600 -13.695 -0.081 1.00 0.00 H new ATOM 687 N TYR B 26 -6.542 -6.378 -0.996 1.00 0.00 N ATOM 688 CA TYR B 26 -7.190 -5.689 0.154 1.00 0.00 C ATOM 689 C TYR B 26 -8.275 -4.741 -0.360 1.00 0.00 C ATOM 690 O TYR B 26 -9.097 -4.257 0.393 1.00 0.00 O ATOM 691 CB TYR B 26 -6.137 -4.888 0.923 1.00 0.00 C ATOM 692 CG TYR B 26 -5.608 -3.780 0.046 1.00 0.00 C ATOM 693 CD1 TYR B 26 -4.588 -4.044 -0.878 1.00 0.00 C ATOM 694 CD2 TYR B 26 -6.136 -2.486 0.156 1.00 0.00 C ATOM 695 CE1 TYR B 26 -4.096 -3.014 -1.692 1.00 0.00 C ATOM 696 CE2 TYR B 26 -5.645 -1.458 -0.658 1.00 0.00 C ATOM 697 CZ TYR B 26 -4.625 -1.722 -1.582 1.00 0.00 C ATOM 698 OH TYR B 26 -4.141 -0.707 -2.384 1.00 0.00 O ATOM 0 H TYR B 26 -5.903 -5.802 -1.544 1.00 0.00 H new ATOM 0 HA TYR B 26 -7.641 -6.430 0.814 1.00 0.00 H new ATOM 0 HB2 TYR B 26 -6.573 -4.471 1.831 1.00 0.00 H new ATOM 0 HB3 TYR B 26 -5.322 -5.542 1.233 1.00 0.00 H new ATOM 0 HD1 TYR B 26 -4.181 -5.041 -0.963 1.00 0.00 H new ATOM 0 HD2 TYR B 26 -6.921 -2.282 0.869 1.00 0.00 H new ATOM 0 HE1 TYR B 26 -3.309 -3.217 -2.404 1.00 0.00 H new ATOM 0 HE2 TYR B 26 -6.052 -0.461 -0.574 1.00 0.00 H new ATOM 0 HH TYR B 26 -4.617 0.125 -2.181 1.00 0.00 H new ATOM 708 N THR B 27 -8.286 -4.471 -1.636 1.00 0.00 N ATOM 709 CA THR B 27 -9.318 -3.552 -2.193 1.00 0.00 C ATOM 710 C THR B 27 -9.677 -3.987 -3.616 1.00 0.00 C ATOM 711 O THR B 27 -8.863 -4.534 -4.333 1.00 0.00 O ATOM 712 CB THR B 27 -8.768 -2.124 -2.222 1.00 0.00 C ATOM 713 OG1 THR B 27 -7.389 -2.157 -2.562 1.00 0.00 O ATOM 714 CG2 THR B 27 -8.942 -1.480 -0.846 1.00 0.00 C ATOM 0 H THR B 27 -7.626 -4.847 -2.317 1.00 0.00 H new ATOM 0 HA THR B 27 -10.209 -3.587 -1.566 1.00 0.00 H new ATOM 0 HB THR B 27 -9.312 -1.539 -2.964 1.00 0.00 H new ATOM 0 HG1 THR B 27 -6.852 -2.229 -1.745 1.00 0.00 H new ATOM 0 HG21 THR B 27 -8.550 -0.463 -0.868 1.00 0.00 H new ATOM 0 HG22 THR B 27 -10.001 -1.455 -0.587 1.00 0.00 H new ATOM 0 HG23 THR B 27 -8.400 -2.062 -0.101 1.00 0.00 H new ATOM 722 N LYS B 28 -10.892 -3.748 -4.029 1.00 0.00 N ATOM 723 CA LYS B 28 -11.304 -4.145 -5.405 1.00 0.00 C ATOM 724 C LYS B 28 -12.159 -3.033 -6.020 1.00 0.00 C ATOM 725 O LYS B 28 -13.366 -3.035 -5.883 1.00 0.00 O ATOM 726 CB LYS B 28 -12.118 -5.438 -5.340 1.00 0.00 C ATOM 727 CG LYS B 28 -11.302 -6.586 -5.938 1.00 0.00 C ATOM 728 CD LYS B 28 -11.027 -7.634 -4.857 1.00 0.00 C ATOM 729 CE LYS B 28 -10.249 -8.803 -5.465 1.00 0.00 C ATOM 730 NZ LYS B 28 -11.139 -9.569 -6.383 1.00 0.00 N ATOM 0 H LYS B 28 -11.617 -3.295 -3.473 1.00 0.00 H new ATOM 0 HA LYS B 28 -10.418 -4.305 -6.019 1.00 0.00 H new ATOM 0 HB2 LYS B 28 -12.380 -5.664 -4.306 1.00 0.00 H new ATOM 0 HB3 LYS B 28 -13.053 -5.319 -5.887 1.00 0.00 H new ATOM 0 HG2 LYS B 28 -11.845 -7.038 -6.768 1.00 0.00 H new ATOM 0 HG3 LYS B 28 -10.362 -6.207 -6.340 1.00 0.00 H new ATOM 0 HD2 LYS B 28 -10.457 -7.189 -4.041 1.00 0.00 H new ATOM 0 HD3 LYS B 28 -11.966 -7.990 -4.433 1.00 0.00 H new ATOM 0 HE2 LYS B 28 -9.381 -8.432 -6.009 1.00 0.00 H new ATOM 0 HE3 LYS B 28 -9.876 -9.455 -4.675 1.00 0.00 H new ATOM 0 HZ1 LYS B 28 -10.732 -10.510 -6.556 1.00 0.00 H new ATOM 0 HZ2 LYS B 28 -12.079 -9.672 -5.949 1.00 0.00 H new ATOM 0 HZ3 LYS B 28 -11.228 -9.059 -7.285 1.00 0.00 H new ATOM 744 N PRO B 29 -11.503 -2.114 -6.682 1.00 0.00 N ATOM 745 CA PRO B 29 -12.171 -0.975 -7.335 1.00 0.00 C ATOM 746 C PRO B 29 -12.812 -1.415 -8.655 1.00 0.00 C ATOM 747 O PRO B 29 -12.445 -0.955 -9.717 1.00 0.00 O ATOM 748 CB PRO B 29 -11.030 0.014 -7.585 1.00 0.00 C ATOM 749 CG PRO B 29 -9.724 -0.816 -7.589 1.00 0.00 C ATOM 750 CD PRO B 29 -10.034 -2.126 -6.840 1.00 0.00 C ATOM 0 HA PRO B 29 -12.975 -0.548 -6.736 1.00 0.00 H new ATOM 0 HB2 PRO B 29 -11.165 0.530 -8.536 1.00 0.00 H new ATOM 0 HB3 PRO B 29 -11.002 0.778 -6.809 1.00 0.00 H new ATOM 0 HG2 PRO B 29 -9.398 -1.020 -8.609 1.00 0.00 H new ATOM 0 HG3 PRO B 29 -8.917 -0.271 -7.099 1.00 0.00 H new ATOM 0 HD2 PRO B 29 -9.701 -2.996 -7.406 1.00 0.00 H new ATOM 0 HD3 PRO B 29 -9.530 -2.162 -5.874 1.00 0.00 H new ATOM 758 N THR B 30 -13.765 -2.304 -8.594 1.00 0.00 N ATOM 759 CA THR B 30 -14.428 -2.772 -9.844 1.00 0.00 C ATOM 760 C THR B 30 -15.861 -2.238 -9.892 1.00 0.00 C ATOM 761 O THR B 30 -16.149 -1.450 -10.777 1.00 0.00 O ATOM 762 CB THR B 30 -14.451 -4.302 -9.868 1.00 0.00 C ATOM 763 OG1 THR B 30 -15.222 -4.778 -8.774 1.00 0.00 O ATOM 764 CG2 THR B 30 -13.023 -4.838 -9.761 1.00 0.00 C ATOM 765 OXT THR B 30 -16.645 -2.627 -9.043 1.00 0.00 O ATOM 0 H THR B 30 -14.113 -2.726 -7.733 1.00 0.00 H new ATOM 0 HA THR B 30 -13.875 -2.404 -10.708 1.00 0.00 H new ATOM 0 HB THR B 30 -14.895 -4.645 -10.803 1.00 0.00 H new ATOM 0 HG1 THR B 30 -15.761 -4.045 -8.410 1.00 0.00 H new ATOM 0 HG21 THR B 30 -13.041 -5.928 -9.778 1.00 0.00 H new ATOM 0 HG22 THR B 30 -12.433 -4.472 -10.601 1.00 0.00 H new ATOM 0 HG23 THR B 30 -12.575 -4.497 -8.827 1.00 0.00 H new TER 773 THR B 30