USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 459 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 47 ASN : amide:sc= 1.05 K(o=2.2,f=-8.9!) USER MOD Set 1.2: A 49 THR OG1 : rot 90:sc= 1.15 USER MOD Single : A 1 LEU N :NH3+ -113:sc= -0.0162 (180deg=-1.29) USER MOD Single : A 2 THR OG1 : rot 157:sc= 1.43 USER MOD Single : A 3 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00828) USER MOD Single : A 5 GLN : amide:sc= 0.668 K(o=0.67,f=-5.9!) USER MOD Single : A 9 SER OG : rot 86:sc= 1.08 USER MOD Single : A 10 HIS : no HE2:sc= 0.232 K(o=0.23,f=-2.8!) USER MOD Single : A 15 HIS : no HE2:sc= 0.278 K(o=0.28,f=-5.4!) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ -162:sc= 0.697 (180deg=0.554) USER MOD Single : A 26 ASN : amide:sc= 0.00341 X(o=0.0034,f=-0.28) USER MOD Single : A 28 ASN : amide:sc= 0.827 K(o=0.83,f=0) USER MOD Single : A 29 TYR OH : rot -167:sc= 1.18 USER MOD Single : A 33 GLN : amide:sc= 3.24 K(o=3.2,f=-6.2!) USER MOD Single : A 35 TYR OH : rot 44:sc= 1.77 USER MOD Single : A 37 SER OG : rot -152:sc= 0.789 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 ASN : amide:sc= 0.135 K(o=0.14,f=-1.3) USER MOD Single : A 54 THR OG1 : rot -78:sc= 2.29 USER MOD Single : A 56 SER OG : rot 180:sc= -0.0483 USER MOD Single : A 59 HIS : no HD1:sc= -0.238 X(o=-0.24,f=-0.56) USER MOD Single : A 60 HIS : no HE2:sc= -1.13 K(o=-1.1,f=-3.8) USER MOD Single : A 61 ASN : amide:sc= 1.07 K(o=1.1,f=0) USER MOD Single : A 63 SER OG : rot 45:sc= 0.806 USER MOD Single : A 65 SER OG : rot -42:sc= 1.13 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 15.655 9.955 -0.562 1.00 0.00 N ATOM 2 CA LEU A 1 14.446 9.143 -0.645 1.00 0.00 C ATOM 3 C LEU A 1 13.574 9.356 0.601 1.00 0.00 C ATOM 4 O LEU A 1 14.086 9.689 1.672 1.00 0.00 O ATOM 5 CB LEU A 1 14.840 7.656 -0.784 1.00 0.00 C ATOM 6 CG LEU A 1 15.059 7.181 -2.232 1.00 0.00 C ATOM 7 CD1 LEU A 1 16.237 7.865 -2.932 1.00 0.00 C ATOM 8 CD2 LEU A 1 15.321 5.671 -2.236 1.00 0.00 C ATOM 0 H1 LEU A 1 15.630 10.691 -1.296 1.00 0.00 H new ATOM 0 H2 LEU A 1 15.709 10.403 0.375 1.00 0.00 H new ATOM 0 H3 LEU A 1 16.489 9.351 -0.705 1.00 0.00 H new ATOM 0 HA LEU A 1 13.867 9.443 -1.518 1.00 0.00 H new ATOM 0 HB2 LEU A 1 15.754 7.482 -0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 1 14.061 7.044 -0.329 1.00 0.00 H new ATOM 0 HG LEU A 1 14.153 7.442 -2.778 1.00 0.00 H new ATOM 0 HD11 LEU A 1 16.330 7.480 -3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 1 16.065 8.941 -2.966 1.00 0.00 H new ATOM 0 HD13 LEU A 1 17.155 7.661 -2.381 1.00 0.00 H new ATOM 0 HD21 LEU A 1 15.476 5.331 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 1 16.210 5.454 -1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 1 14.464 5.152 -1.808 1.00 0.00 H new ATOM 20 N THR A 2 12.266 9.112 0.482 1.00 0.00 N ATOM 21 CA THR A 2 11.339 9.108 1.618 1.00 0.00 C ATOM 22 C THR A 2 11.345 7.763 2.347 1.00 0.00 C ATOM 23 O THR A 2 11.814 6.758 1.811 1.00 0.00 O ATOM 24 CB THR A 2 9.891 9.412 1.192 1.00 0.00 C ATOM 25 OG1 THR A 2 9.364 8.350 0.423 1.00 0.00 O ATOM 26 CG2 THR A 2 9.766 10.738 0.442 1.00 0.00 C ATOM 0 H THR A 2 11.817 8.910 -0.411 1.00 0.00 H new ATOM 0 HA THR A 2 11.692 9.895 2.284 1.00 0.00 H new ATOM 0 HB THR A 2 9.305 9.510 2.106 1.00 0.00 H new ATOM 0 HG1 THR A 2 8.385 8.370 0.466 1.00 0.00 H new ATOM 0 HG21 THR A 2 8.725 10.903 0.165 1.00 0.00 H new ATOM 0 HG22 THR A 2 10.104 11.552 1.083 1.00 0.00 H new ATOM 0 HG23 THR A 2 10.380 10.706 -0.458 1.00 0.00 H new ATOM 34 N LYS A 3 10.728 7.710 3.538 1.00 0.00 N ATOM 35 CA LYS A 3 10.501 6.464 4.282 1.00 0.00 C ATOM 36 C LYS A 3 9.841 5.385 3.417 1.00 0.00 C ATOM 37 O LYS A 3 10.288 4.241 3.436 1.00 0.00 O ATOM 38 CB LYS A 3 9.693 6.761 5.554 1.00 0.00 C ATOM 39 CG LYS A 3 9.519 5.503 6.416 1.00 0.00 C ATOM 40 CD LYS A 3 8.771 5.824 7.717 1.00 0.00 C ATOM 41 CE LYS A 3 8.427 4.558 8.507 1.00 0.00 C ATOM 42 NZ LYS A 3 9.634 3.844 8.967 1.00 0.00 N ATOM 0 H LYS A 3 10.370 8.538 4.014 1.00 0.00 H new ATOM 0 HA LYS A 3 11.469 6.057 4.575 1.00 0.00 H new ATOM 0 HB2 LYS A 3 10.197 7.534 6.134 1.00 0.00 H new ATOM 0 HB3 LYS A 3 8.714 7.155 5.281 1.00 0.00 H new ATOM 0 HG2 LYS A 3 8.970 4.747 5.855 1.00 0.00 H new ATOM 0 HG3 LYS A 3 10.496 5.080 6.649 1.00 0.00 H new ATOM 0 HD2 LYS A 3 9.383 6.482 8.334 1.00 0.00 H new ATOM 0 HD3 LYS A 3 7.855 6.367 7.484 1.00 0.00 H new ATOM 0 HE2 LYS A 3 7.814 4.824 9.368 1.00 0.00 H new ATOM 0 HE3 LYS A 3 7.829 3.893 7.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 9.354 3.013 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 10.190 3.537 8.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 10.210 4.479 9.556 1.00 0.00 H new ATOM 56 N CYS A 4 8.841 5.754 2.609 1.00 0.00 N ATOM 57 CA CYS A 4 8.270 4.845 1.622 1.00 0.00 C ATOM 58 C CYS A 4 9.329 4.354 0.636 1.00 0.00 C ATOM 59 O CYS A 4 9.541 3.152 0.516 1.00 0.00 O ATOM 60 CB CYS A 4 7.129 5.499 0.847 1.00 0.00 C ATOM 61 SG CYS A 4 6.495 4.352 -0.394 1.00 0.00 S ATOM 0 H CYS A 4 8.413 6.680 2.623 1.00 0.00 H new ATOM 0 HA CYS A 4 7.877 3.993 2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 4 6.331 5.786 1.531 1.00 0.00 H new ATOM 0 HB3 CYS A 4 7.480 6.412 0.366 1.00 0.00 H new ATOM 66 N GLN A 5 9.982 5.273 -0.083 1.00 0.00 N ATOM 67 CA GLN A 5 10.930 4.912 -1.135 1.00 0.00 C ATOM 68 C GLN A 5 12.088 4.062 -0.597 1.00 0.00 C ATOM 69 O GLN A 5 12.530 3.147 -1.290 1.00 0.00 O ATOM 70 CB GLN A 5 11.437 6.192 -1.809 1.00 0.00 C ATOM 71 CG GLN A 5 10.340 6.940 -2.586 1.00 0.00 C ATOM 72 CD GLN A 5 10.786 8.338 -3.008 1.00 0.00 C ATOM 73 OE1 GLN A 5 11.475 9.041 -2.282 1.00 0.00 O ATOM 74 NE2 GLN A 5 10.378 8.808 -4.173 1.00 0.00 N ATOM 0 H GLN A 5 9.868 6.278 0.048 1.00 0.00 H new ATOM 0 HA GLN A 5 10.419 4.294 -1.873 1.00 0.00 H new ATOM 0 HB2 GLN A 5 11.853 6.855 -1.050 1.00 0.00 H new ATOM 0 HB3 GLN A 5 12.249 5.939 -2.491 1.00 0.00 H new ATOM 0 HG2 GLN A 5 10.067 6.365 -3.471 1.00 0.00 H new ATOM 0 HG3 GLN A 5 9.446 7.017 -1.967 1.00 0.00 H new ATOM 0 HE21 GLN A 5 9.803 8.228 -4.784 1.00 0.00 H new ATOM 0 HE22 GLN A 5 10.638 9.751 -4.462 1.00 0.00 H new ATOM 83 N GLU A 6 12.529 4.309 0.643 1.00 0.00 N ATOM 84 CA GLU A 6 13.457 3.452 1.380 1.00 0.00 C ATOM 85 C GLU A 6 12.845 2.067 1.596 1.00 0.00 C ATOM 86 O GLU A 6 13.377 1.092 1.081 1.00 0.00 O ATOM 87 CB GLU A 6 13.798 4.088 2.732 1.00 0.00 C ATOM 88 CG GLU A 6 14.685 5.334 2.603 1.00 0.00 C ATOM 89 CD GLU A 6 14.909 6.000 3.960 1.00 0.00 C ATOM 90 OE1 GLU A 6 13.937 6.595 4.477 1.00 0.00 O ATOM 91 OE2 GLU A 6 16.046 5.896 4.470 1.00 0.00 O ATOM 0 H GLU A 6 12.241 5.132 1.172 1.00 0.00 H new ATOM 0 HA GLU A 6 14.371 3.345 0.796 1.00 0.00 H new ATOM 0 HB2 GLU A 6 12.874 4.358 3.243 1.00 0.00 H new ATOM 0 HB3 GLU A 6 14.304 3.352 3.356 1.00 0.00 H new ATOM 0 HG2 GLU A 6 15.646 5.056 2.169 1.00 0.00 H new ATOM 0 HG3 GLU A 6 14.220 6.044 1.919 1.00 0.00 H new ATOM 98 N GLU A 7 11.717 1.969 2.312 1.00 0.00 N ATOM 99 CA GLU A 7 11.049 0.699 2.631 1.00 0.00 C ATOM 100 C GLU A 7 10.823 -0.149 1.377 1.00 0.00 C ATOM 101 O GLU A 7 11.183 -1.324 1.340 1.00 0.00 O ATOM 102 CB GLU A 7 9.692 0.963 3.308 1.00 0.00 C ATOM 103 CG GLU A 7 9.809 1.413 4.772 1.00 0.00 C ATOM 104 CD GLU A 7 8.479 1.910 5.362 1.00 0.00 C ATOM 105 OE1 GLU A 7 7.612 2.399 4.596 1.00 0.00 O ATOM 106 OE2 GLU A 7 8.349 1.807 6.600 1.00 0.00 O ATOM 0 H GLU A 7 11.235 2.783 2.692 1.00 0.00 H new ATOM 0 HA GLU A 7 11.703 0.151 3.310 1.00 0.00 H new ATOM 0 HB2 GLU A 7 9.157 1.727 2.744 1.00 0.00 H new ATOM 0 HB3 GLU A 7 9.091 0.055 3.263 1.00 0.00 H new ATOM 0 HG2 GLU A 7 10.177 0.581 5.373 1.00 0.00 H new ATOM 0 HG3 GLU A 7 10.550 2.209 4.842 1.00 0.00 H new ATOM 113 N VAL A 8 10.258 0.457 0.332 1.00 0.00 N ATOM 114 CA VAL A 8 9.911 -0.221 -0.923 1.00 0.00 C ATOM 115 C VAL A 8 11.169 -0.689 -1.673 1.00 0.00 C ATOM 116 O VAL A 8 11.135 -1.704 -2.368 1.00 0.00 O ATOM 117 CB VAL A 8 9.026 0.704 -1.777 1.00 0.00 C ATOM 118 CG1 VAL A 8 8.585 0.093 -3.114 1.00 0.00 C ATOM 119 CG2 VAL A 8 7.712 1.016 -1.041 1.00 0.00 C ATOM 0 H VAL A 8 10.024 1.450 0.331 1.00 0.00 H new ATOM 0 HA VAL A 8 9.341 -1.123 -0.700 1.00 0.00 H new ATOM 0 HB VAL A 8 9.649 1.580 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 8 7.965 0.809 -3.654 1.00 0.00 H new ATOM 0 HG12 VAL A 8 9.464 -0.149 -3.711 1.00 0.00 H new ATOM 0 HG13 VAL A 8 8.012 -0.815 -2.928 1.00 0.00 H new ATOM 0 HG21 VAL A 8 7.096 1.671 -1.657 1.00 0.00 H new ATOM 0 HG22 VAL A 8 7.174 0.088 -0.848 1.00 0.00 H new ATOM 0 HG23 VAL A 8 7.933 1.510 -0.095 1.00 0.00 H new ATOM 129 N SER A 9 12.292 0.006 -1.463 1.00 0.00 N ATOM 130 CA SER A 9 13.646 -0.376 -1.898 1.00 0.00 C ATOM 131 C SER A 9 14.398 -1.301 -0.919 1.00 0.00 C ATOM 132 O SER A 9 15.576 -1.584 -1.152 1.00 0.00 O ATOM 133 CB SER A 9 14.515 0.871 -2.128 1.00 0.00 C ATOM 134 OG SER A 9 13.867 1.821 -2.948 1.00 0.00 O ATOM 0 H SER A 9 12.284 0.894 -0.961 1.00 0.00 H new ATOM 0 HA SER A 9 13.488 -0.933 -2.821 1.00 0.00 H new ATOM 0 HB2 SER A 9 14.758 1.326 -1.168 1.00 0.00 H new ATOM 0 HB3 SER A 9 15.458 0.576 -2.589 1.00 0.00 H new ATOM 0 HG SER A 9 13.293 2.392 -2.396 1.00 0.00 H new ATOM 140 N HIS A 10 13.793 -1.738 0.196 1.00 0.00 N ATOM 141 CA HIS A 10 14.462 -2.526 1.249 1.00 0.00 C ATOM 142 C HIS A 10 13.711 -3.809 1.636 1.00 0.00 C ATOM 143 O HIS A 10 14.342 -4.767 2.080 1.00 0.00 O ATOM 144 CB HIS A 10 14.711 -1.650 2.488 1.00 0.00 C ATOM 145 CG HIS A 10 15.626 -0.465 2.276 1.00 0.00 C ATOM 146 ND1 HIS A 10 16.439 -0.229 1.188 1.00 0.00 N ATOM 147 CD2 HIS A 10 15.726 0.619 3.105 1.00 0.00 C ATOM 148 CE1 HIS A 10 17.014 0.974 1.362 1.00 0.00 C ATOM 149 NE2 HIS A 10 16.613 1.528 2.517 1.00 0.00 N ATOM 0 H HIS A 10 12.810 -1.552 0.397 1.00 0.00 H new ATOM 0 HA HIS A 10 15.413 -2.853 0.830 1.00 0.00 H new ATOM 0 HB2 HIS A 10 13.751 -1.284 2.852 1.00 0.00 H new ATOM 0 HB3 HIS A 10 15.132 -2.276 3.275 1.00 0.00 H new ATOM 0 HD1 HIS A 10 16.579 -0.854 0.394 1.00 0.00 H new ATOM 0 HD2 HIS A 10 15.212 0.750 4.046 1.00 0.00 H new ATOM 0 HE1 HIS A 10 17.704 1.431 0.668 1.00 0.00 H new ATOM 157 N ILE A 11 12.387 -3.862 1.445 1.00 0.00 N ATOM 158 CA ILE A 11 11.590 -5.092 1.554 1.00 0.00 C ATOM 159 C ILE A 11 12.125 -6.089 0.499 1.00 0.00 C ATOM 160 O ILE A 11 12.386 -5.683 -0.637 1.00 0.00 O ATOM 161 CB ILE A 11 10.089 -4.748 1.362 1.00 0.00 C ATOM 162 CG1 ILE A 11 9.571 -3.879 2.536 1.00 0.00 C ATOM 163 CG2 ILE A 11 9.193 -5.997 1.252 1.00 0.00 C ATOM 164 CD1 ILE A 11 8.339 -3.044 2.171 1.00 0.00 C ATOM 0 H ILE A 11 11.831 -3.041 1.207 1.00 0.00 H new ATOM 0 HA ILE A 11 11.678 -5.555 2.537 1.00 0.00 H new ATOM 0 HB ILE A 11 10.029 -4.200 0.421 1.00 0.00 H new ATOM 0 HG12 ILE A 11 9.327 -4.526 3.378 1.00 0.00 H new ATOM 0 HG13 ILE A 11 10.368 -3.213 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 11 8.156 -5.690 1.119 1.00 0.00 H new ATOM 0 HG22 ILE A 11 9.507 -6.596 0.397 1.00 0.00 H new ATOM 0 HG23 ILE A 11 9.282 -6.590 2.162 1.00 0.00 H new ATOM 0 HD11 ILE A 11 8.027 -2.459 3.036 1.00 0.00 H new ATOM 0 HD12 ILE A 11 8.585 -2.373 1.348 1.00 0.00 H new ATOM 0 HD13 ILE A 11 7.527 -3.706 1.869 1.00 0.00 H new ATOM 176 N PRO A 12 12.316 -7.385 0.816 1.00 0.00 N ATOM 177 CA PRO A 12 12.849 -8.348 -0.149 1.00 0.00 C ATOM 178 C PRO A 12 11.869 -8.610 -1.306 1.00 0.00 C ATOM 179 O PRO A 12 10.702 -8.221 -1.256 1.00 0.00 O ATOM 180 CB PRO A 12 13.141 -9.613 0.668 1.00 0.00 C ATOM 181 CG PRO A 12 12.153 -9.526 1.830 1.00 0.00 C ATOM 182 CD PRO A 12 12.078 -8.024 2.101 1.00 0.00 C ATOM 0 HA PRO A 12 13.749 -7.974 -0.637 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.987 -10.516 0.077 1.00 0.00 H new ATOM 0 HB3 PRO A 12 14.173 -9.634 1.019 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.179 -9.938 1.564 1.00 0.00 H new ATOM 0 HG3 PRO A 12 12.505 -10.077 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 12 11.104 -7.746 2.503 1.00 0.00 H new ATOM 0 HD3 PRO A 12 12.824 -7.720 2.835 1.00 0.00 H new ATOM 190 N ALA A 13 12.334 -9.300 -2.354 1.00 0.00 N ATOM 191 CA ALA A 13 11.462 -9.815 -3.414 1.00 0.00 C ATOM 192 C ALA A 13 10.601 -10.984 -2.897 1.00 0.00 C ATOM 193 O ALA A 13 9.407 -11.067 -3.178 1.00 0.00 O ATOM 194 CB ALA A 13 12.330 -10.245 -4.601 1.00 0.00 C ATOM 0 H ALA A 13 13.322 -9.516 -2.490 1.00 0.00 H new ATOM 0 HA ALA A 13 10.776 -9.032 -3.737 1.00 0.00 H new ATOM 0 HB1 ALA A 13 11.693 -10.630 -5.397 1.00 0.00 H new ATOM 0 HB2 ALA A 13 12.893 -9.387 -4.970 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.023 -11.024 -4.282 1.00 0.00 H new ATOM 200 N VAL A 14 11.197 -11.863 -2.081 1.00 0.00 N ATOM 201 CA VAL A 14 10.516 -12.949 -1.372 1.00 0.00 C ATOM 202 C VAL A 14 9.839 -12.367 -0.126 1.00 0.00 C ATOM 203 O VAL A 14 10.300 -12.539 0.999 1.00 0.00 O ATOM 204 CB VAL A 14 11.478 -14.117 -1.048 1.00 0.00 C ATOM 205 CG1 VAL A 14 10.711 -15.324 -0.484 1.00 0.00 C ATOM 206 CG2 VAL A 14 12.221 -14.601 -2.305 1.00 0.00 C ATOM 0 H VAL A 14 12.199 -11.835 -1.891 1.00 0.00 H new ATOM 0 HA VAL A 14 9.749 -13.385 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 14 12.187 -13.733 -0.314 1.00 0.00 H new ATOM 0 HG11 VAL A 14 11.411 -16.130 -0.265 1.00 0.00 H new ATOM 0 HG12 VAL A 14 10.196 -15.032 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 14 9.981 -15.667 -1.218 1.00 0.00 H new ATOM 0 HG21 VAL A 14 12.888 -15.422 -2.040 1.00 0.00 H new ATOM 0 HG22 VAL A 14 11.498 -14.945 -3.045 1.00 0.00 H new ATOM 0 HG23 VAL A 14 12.804 -13.780 -2.722 1.00 0.00 H new ATOM 216 N HIS A 15 8.733 -11.652 -0.354 1.00 0.00 N ATOM 217 CA HIS A 15 7.866 -11.096 0.692 1.00 0.00 C ATOM 218 C HIS A 15 6.386 -11.572 0.720 1.00 0.00 C ATOM 219 O HIS A 15 5.599 -10.912 1.403 1.00 0.00 O ATOM 220 CB HIS A 15 7.989 -9.562 0.676 1.00 0.00 C ATOM 221 CG HIS A 15 7.207 -8.872 -0.414 1.00 0.00 C ATOM 222 ND1 HIS A 15 5.963 -8.302 -0.271 1.00 0.00 N ATOM 223 CD2 HIS A 15 7.617 -8.650 -1.700 1.00 0.00 C ATOM 224 CE1 HIS A 15 5.641 -7.734 -1.444 1.00 0.00 C ATOM 225 NE2 HIS A 15 6.628 -7.898 -2.338 1.00 0.00 N ATOM 0 H HIS A 15 8.406 -11.438 -1.296 1.00 0.00 H new ATOM 0 HA HIS A 15 8.240 -11.510 1.628 1.00 0.00 H new ATOM 0 HB2 HIS A 15 7.658 -9.176 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 15 9.041 -9.298 0.571 1.00 0.00 H new ATOM 0 HD1 HIS A 15 5.390 -8.310 0.573 1.00 0.00 H new ATOM 0 HD2 HIS A 15 8.540 -8.994 -2.143 1.00 0.00 H new ATOM 0 HE1 HIS A 15 4.714 -7.216 -1.641 1.00 0.00 H new ATOM 233 N PRO A 16 5.936 -12.671 0.059 1.00 0.00 N ATOM 234 CA PRO A 16 4.527 -13.081 0.097 1.00 0.00 C ATOM 235 C PRO A 16 4.107 -13.455 1.529 1.00 0.00 C ATOM 236 O PRO A 16 4.574 -14.445 2.088 1.00 0.00 O ATOM 237 CB PRO A 16 4.393 -14.242 -0.892 1.00 0.00 C ATOM 238 CG PRO A 16 5.781 -14.875 -0.880 1.00 0.00 C ATOM 239 CD PRO A 16 6.706 -13.679 -0.664 1.00 0.00 C ATOM 0 HA PRO A 16 3.856 -12.272 -0.193 1.00 0.00 H new ATOM 0 HB2 PRO A 16 3.625 -14.950 -0.580 1.00 0.00 H new ATOM 0 HB3 PRO A 16 4.119 -13.893 -1.887 1.00 0.00 H new ATOM 0 HG2 PRO A 16 5.881 -15.611 -0.082 1.00 0.00 H new ATOM 0 HG3 PRO A 16 5.998 -15.388 -1.817 1.00 0.00 H new ATOM 0 HD2 PRO A 16 7.589 -13.972 -0.095 1.00 0.00 H new ATOM 0 HD3 PRO A 16 7.057 -13.286 -1.618 1.00 0.00 H new ATOM 247 N GLY A 17 3.255 -12.618 2.132 1.00 0.00 N ATOM 248 CA GLY A 17 2.889 -12.650 3.551 1.00 0.00 C ATOM 249 C GLY A 17 3.193 -11.335 4.282 1.00 0.00 C ATOM 250 O GLY A 17 2.646 -11.105 5.356 1.00 0.00 O ATOM 0 H GLY A 17 2.783 -11.870 1.624 1.00 0.00 H new ATOM 0 HA2 GLY A 17 1.825 -12.871 3.641 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.426 -13.463 4.040 1.00 0.00 H new ATOM 254 N SER A 18 4.010 -10.453 3.689 1.00 0.00 N ATOM 255 CA SER A 18 4.242 -9.076 4.134 1.00 0.00 C ATOM 256 C SER A 18 3.960 -8.083 2.999 1.00 0.00 C ATOM 257 O SER A 18 4.108 -8.407 1.815 1.00 0.00 O ATOM 258 CB SER A 18 5.675 -8.928 4.645 1.00 0.00 C ATOM 259 OG SER A 18 5.824 -7.654 5.237 1.00 0.00 O ATOM 0 H SER A 18 4.547 -10.690 2.855 1.00 0.00 H new ATOM 0 HA SER A 18 3.556 -8.851 4.951 1.00 0.00 H new ATOM 0 HB2 SER A 18 5.898 -9.709 5.372 1.00 0.00 H new ATOM 0 HB3 SER A 18 6.382 -9.046 3.823 1.00 0.00 H new ATOM 0 HG SER A 18 6.741 -7.553 5.569 1.00 0.00 H new ATOM 265 N PHE A 19 3.505 -6.880 3.351 1.00 0.00 N ATOM 266 CA PHE A 19 3.068 -5.860 2.397 1.00 0.00 C ATOM 267 C PHE A 19 4.251 -5.135 1.719 1.00 0.00 C ATOM 268 O PHE A 19 5.386 -5.201 2.189 1.00 0.00 O ATOM 269 CB PHE A 19 2.127 -4.893 3.137 1.00 0.00 C ATOM 270 CG PHE A 19 1.528 -3.807 2.264 1.00 0.00 C ATOM 271 CD1 PHE A 19 0.825 -4.156 1.096 1.00 0.00 C ATOM 272 CD2 PHE A 19 1.746 -2.449 2.569 1.00 0.00 C ATOM 273 CE1 PHE A 19 0.387 -3.158 0.213 1.00 0.00 C ATOM 274 CE2 PHE A 19 1.283 -1.450 1.697 1.00 0.00 C ATOM 275 CZ PHE A 19 0.626 -1.806 0.507 1.00 0.00 C ATOM 0 H PHE A 19 3.428 -6.582 4.323 1.00 0.00 H new ATOM 0 HA PHE A 19 2.531 -6.335 1.576 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.317 -5.467 3.587 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.677 -4.424 3.953 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.622 -5.194 0.879 1.00 0.00 H new ATOM 0 HD2 PHE A 19 2.269 -2.176 3.474 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.134 -3.430 -0.693 1.00 0.00 H new ATOM 0 HE2 PHE A 19 1.432 -0.409 1.941 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.305 -1.039 -0.182 1.00 0.00 H new ATOM 285 N ARG A 20 3.968 -4.412 0.625 1.00 0.00 N ATOM 286 CA ARG A 20 4.893 -3.524 -0.088 1.00 0.00 C ATOM 287 C ARG A 20 4.163 -2.234 -0.505 1.00 0.00 C ATOM 288 O ARG A 20 3.314 -2.298 -1.397 1.00 0.00 O ATOM 289 CB ARG A 20 5.507 -4.254 -1.289 1.00 0.00 C ATOM 290 CG ARG A 20 6.573 -3.386 -1.968 1.00 0.00 C ATOM 291 CD ARG A 20 7.227 -4.119 -3.145 1.00 0.00 C ATOM 292 NE ARG A 20 8.686 -3.960 -3.098 1.00 0.00 N ATOM 293 CZ ARG A 20 9.558 -4.823 -2.601 1.00 0.00 C ATOM 294 NH1 ARG A 20 9.234 -6.056 -2.272 1.00 0.00 N ATOM 295 NH2 ARG A 20 10.787 -4.419 -2.404 1.00 0.00 N ATOM 0 H ARG A 20 3.044 -4.433 0.195 1.00 0.00 H new ATOM 0 HA ARG A 20 5.712 -3.241 0.573 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.952 -5.193 -0.961 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.725 -4.505 -2.006 1.00 0.00 H new ATOM 0 HG2 ARG A 20 6.119 -2.460 -2.321 1.00 0.00 H new ATOM 0 HG3 ARG A 20 7.336 -3.109 -1.241 1.00 0.00 H new ATOM 0 HD2 ARG A 20 6.969 -5.177 -3.112 1.00 0.00 H new ATOM 0 HD3 ARG A 20 6.842 -3.726 -4.086 1.00 0.00 H new ATOM 0 HE ARG A 20 9.066 -3.097 -3.488 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.276 -6.382 -2.397 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.941 -6.685 -1.892 1.00 0.00 H new ATOM 0 HH21 ARG A 20 11.052 -3.461 -2.632 1.00 0.00 H new ATOM 0 HH22 ARG A 20 11.480 -5.062 -2.022 1.00 0.00 H new ATOM 309 N PRO A 21 4.434 -1.087 0.151 1.00 0.00 N ATOM 310 CA PRO A 21 3.798 0.190 -0.169 1.00 0.00 C ATOM 311 C PRO A 21 3.933 0.647 -1.628 1.00 0.00 C ATOM 312 O PRO A 21 4.889 0.324 -2.331 1.00 0.00 O ATOM 313 CB PRO A 21 4.430 1.216 0.777 1.00 0.00 C ATOM 314 CG PRO A 21 4.876 0.382 1.974 1.00 0.00 C ATOM 315 CD PRO A 21 5.270 -0.948 1.338 1.00 0.00 C ATOM 0 HA PRO A 21 2.721 0.082 -0.038 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.272 1.726 0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 21 3.714 1.984 1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.714 0.843 2.497 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.074 0.259 2.702 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.328 -0.957 1.074 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.107 -1.775 2.029 1.00 0.00 H new ATOM 323 N LYS A 22 2.979 1.485 -2.036 1.00 0.00 N ATOM 324 CA LYS A 22 2.871 2.168 -3.326 1.00 0.00 C ATOM 325 C LYS A 22 2.816 3.677 -3.082 1.00 0.00 C ATOM 326 O LYS A 22 2.025 4.142 -2.259 1.00 0.00 O ATOM 327 CB LYS A 22 1.598 1.679 -4.030 1.00 0.00 C ATOM 328 CG LYS A 22 1.680 0.197 -4.418 1.00 0.00 C ATOM 329 CD LYS A 22 0.279 -0.350 -4.708 1.00 0.00 C ATOM 330 CE LYS A 22 0.365 -1.751 -5.312 1.00 0.00 C ATOM 331 NZ LYS A 22 0.867 -2.742 -4.340 1.00 0.00 N ATOM 0 H LYS A 22 2.199 1.723 -1.423 1.00 0.00 H new ATOM 0 HA LYS A 22 3.731 1.949 -3.959 1.00 0.00 H new ATOM 0 HB2 LYS A 22 0.741 1.834 -3.375 1.00 0.00 H new ATOM 0 HB3 LYS A 22 1.427 2.278 -4.925 1.00 0.00 H new ATOM 0 HG2 LYS A 22 2.314 0.078 -5.296 1.00 0.00 H new ATOM 0 HG3 LYS A 22 2.142 -0.373 -3.612 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -0.304 -0.380 -3.787 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -0.243 0.317 -5.394 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -0.621 -2.055 -5.664 1.00 0.00 H new ATOM 0 HE3 LYS A 22 1.022 -1.731 -6.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 1.198 -3.588 -4.846 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 1.656 -2.331 -3.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 0.102 -3.006 -3.687 1.00 0.00 H new ATOM 345 N CYS A 23 3.661 4.450 -3.765 1.00 0.00 N ATOM 346 CA CYS A 23 3.856 5.874 -3.479 1.00 0.00 C ATOM 347 C CYS A 23 4.072 6.685 -4.752 1.00 0.00 C ATOM 348 O CYS A 23 4.441 6.163 -5.803 1.00 0.00 O ATOM 349 CB CYS A 23 5.044 6.012 -2.518 1.00 0.00 C ATOM 350 SG CYS A 23 4.749 5.164 -0.945 1.00 0.00 S ATOM 0 H CYS A 23 4.233 4.105 -4.536 1.00 0.00 H new ATOM 0 HA CYS A 23 2.956 6.276 -3.015 1.00 0.00 H new ATOM 0 HB2 CYS A 23 5.939 5.604 -2.987 1.00 0.00 H new ATOM 0 HB3 CYS A 23 5.237 7.068 -2.330 1.00 0.00 H new ATOM 355 N ASP A 24 3.795 7.980 -4.634 1.00 0.00 N ATOM 356 CA ASP A 24 3.885 8.952 -5.718 1.00 0.00 C ATOM 357 C ASP A 24 5.328 9.421 -6.000 1.00 0.00 C ATOM 358 O ASP A 24 6.271 9.065 -5.295 1.00 0.00 O ATOM 359 CB ASP A 24 2.909 10.115 -5.446 1.00 0.00 C ATOM 360 CG ASP A 24 3.118 10.820 -4.106 1.00 0.00 C ATOM 361 OD1 ASP A 24 4.294 11.053 -3.749 1.00 0.00 O ATOM 362 OD2 ASP A 24 2.094 11.120 -3.457 1.00 0.00 O ATOM 0 H ASP A 24 3.492 8.395 -3.753 1.00 0.00 H new ATOM 0 HA ASP A 24 3.583 8.460 -6.643 1.00 0.00 H new ATOM 0 HB2 ASP A 24 3.006 10.848 -6.247 1.00 0.00 H new ATOM 0 HB3 ASP A 24 1.889 9.733 -5.486 1.00 0.00 H new ATOM 367 N GLU A 25 5.503 10.267 -7.024 1.00 0.00 N ATOM 368 CA GLU A 25 6.801 10.860 -7.383 1.00 0.00 C ATOM 369 C GLU A 25 7.436 11.692 -6.253 1.00 0.00 C ATOM 370 O GLU A 25 8.656 11.816 -6.190 1.00 0.00 O ATOM 371 CB GLU A 25 6.658 11.694 -8.669 1.00 0.00 C ATOM 372 CG GLU A 25 5.741 12.921 -8.519 1.00 0.00 C ATOM 373 CD GLU A 25 5.576 13.654 -9.849 1.00 0.00 C ATOM 374 OE1 GLU A 25 4.751 13.178 -10.660 1.00 0.00 O ATOM 375 OE2 GLU A 25 6.282 14.669 -10.037 1.00 0.00 O ATOM 0 H GLU A 25 4.740 10.563 -7.633 1.00 0.00 H new ATOM 0 HA GLU A 25 7.488 10.031 -7.557 1.00 0.00 H new ATOM 0 HB2 GLU A 25 7.646 12.028 -8.985 1.00 0.00 H new ATOM 0 HB3 GLU A 25 6.268 11.056 -9.462 1.00 0.00 H new ATOM 0 HG2 GLU A 25 4.765 12.606 -8.151 1.00 0.00 H new ATOM 0 HG3 GLU A 25 6.157 13.601 -7.776 1.00 0.00 H new ATOM 382 N ASN A 26 6.617 12.212 -5.331 1.00 0.00 N ATOM 383 CA ASN A 26 7.027 12.927 -4.123 1.00 0.00 C ATOM 384 C ASN A 26 7.344 11.956 -2.966 1.00 0.00 C ATOM 385 O ASN A 26 7.495 12.388 -1.823 1.00 0.00 O ATOM 386 CB ASN A 26 5.915 13.924 -3.729 1.00 0.00 C ATOM 387 CG ASN A 26 5.315 14.660 -4.918 1.00 0.00 C ATOM 388 OD1 ASN A 26 4.404 14.173 -5.572 1.00 0.00 O ATOM 389 ND2 ASN A 26 5.814 15.836 -5.247 1.00 0.00 N ATOM 0 H ASN A 26 5.603 12.141 -5.414 1.00 0.00 H new ATOM 0 HA ASN A 26 7.947 13.474 -4.330 1.00 0.00 H new ATOM 0 HB2 ASN A 26 5.124 13.386 -3.207 1.00 0.00 H new ATOM 0 HB3 ASN A 26 6.322 14.652 -3.028 1.00 0.00 H new ATOM 0 HD21 ASN A 26 5.440 16.342 -6.049 1.00 0.00 H new ATOM 0 HD22 ASN A 26 6.574 16.239 -4.699 1.00 0.00 H new ATOM 396 N GLY A 27 7.373 10.642 -3.232 1.00 0.00 N ATOM 397 CA GLY A 27 7.642 9.577 -2.271 1.00 0.00 C ATOM 398 C GLY A 27 6.627 9.475 -1.132 1.00 0.00 C ATOM 399 O GLY A 27 6.931 8.840 -0.121 1.00 0.00 O ATOM 0 H GLY A 27 7.200 10.282 -4.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 7.669 8.625 -2.802 1.00 0.00 H new ATOM 0 HA3 GLY A 27 8.633 9.733 -1.844 1.00 0.00 H new ATOM 403 N ASN A 28 5.460 10.111 -1.265 1.00 0.00 N ATOM 404 CA ASN A 28 4.368 10.053 -0.301 1.00 0.00 C ATOM 405 C ASN A 28 3.429 8.896 -0.669 1.00 0.00 C ATOM 406 O ASN A 28 3.304 8.529 -1.842 1.00 0.00 O ATOM 407 CB ASN A 28 3.651 11.414 -0.262 1.00 0.00 C ATOM 408 CG ASN A 28 4.389 12.456 0.571 1.00 0.00 C ATOM 409 OD1 ASN A 28 3.882 12.927 1.576 1.00 0.00 O ATOM 410 ND2 ASN A 28 5.591 12.866 0.212 1.00 0.00 N ATOM 0 H ASN A 28 5.247 10.697 -2.072 1.00 0.00 H new ATOM 0 HA ASN A 28 4.745 9.858 0.703 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.536 11.786 -1.280 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.648 11.278 0.143 1.00 0.00 H new ATOM 0 HD21 ASN A 28 6.080 13.565 0.772 1.00 0.00 H new ATOM 0 HD22 ASN A 28 6.031 12.484 -0.625 1.00 0.00 H new ATOM 417 N TYR A 29 2.791 8.305 0.345 1.00 0.00 N ATOM 418 CA TYR A 29 2.019 7.073 0.209 1.00 0.00 C ATOM 419 C TYR A 29 0.759 7.334 -0.613 1.00 0.00 C ATOM 420 O TYR A 29 -0.045 8.198 -0.261 1.00 0.00 O ATOM 421 CB TYR A 29 1.743 6.461 1.589 1.00 0.00 C ATOM 422 CG TYR A 29 2.989 6.005 2.350 1.00 0.00 C ATOM 423 CD1 TYR A 29 3.802 6.941 3.022 1.00 0.00 C ATOM 424 CD2 TYR A 29 3.324 4.636 2.420 1.00 0.00 C ATOM 425 CE1 TYR A 29 4.921 6.521 3.763 1.00 0.00 C ATOM 426 CE2 TYR A 29 4.450 4.207 3.156 1.00 0.00 C ATOM 427 CZ TYR A 29 5.250 5.152 3.839 1.00 0.00 C ATOM 428 OH TYR A 29 6.357 4.780 4.539 1.00 0.00 O ATOM 0 H TYR A 29 2.798 8.676 1.295 1.00 0.00 H new ATOM 0 HA TYR A 29 2.595 6.328 -0.340 1.00 0.00 H new ATOM 0 HB2 TYR A 29 1.212 7.194 2.196 1.00 0.00 H new ATOM 0 HB3 TYR A 29 1.077 5.607 1.465 1.00 0.00 H new ATOM 0 HD1 TYR A 29 3.562 7.993 2.967 1.00 0.00 H new ATOM 0 HD2 TYR A 29 2.713 3.909 1.905 1.00 0.00 H new ATOM 0 HE1 TYR A 29 5.531 7.250 4.276 1.00 0.00 H new ATOM 0 HE2 TYR A 29 4.700 3.157 3.197 1.00 0.00 H new ATOM 0 HH TYR A 29 6.574 3.846 4.336 1.00 0.00 H new ATOM 438 N LEU A 30 0.620 6.619 -1.742 1.00 0.00 N ATOM 439 CA LEU A 30 -0.488 6.821 -2.672 1.00 0.00 C ATOM 440 C LEU A 30 -1.814 6.600 -1.923 1.00 0.00 C ATOM 441 O LEU A 30 -1.941 5.555 -1.281 1.00 0.00 O ATOM 442 CB LEU A 30 -0.389 5.872 -3.882 1.00 0.00 C ATOM 443 CG LEU A 30 0.456 6.419 -5.042 1.00 0.00 C ATOM 444 CD1 LEU A 30 0.788 5.296 -6.028 1.00 0.00 C ATOM 445 CD2 LEU A 30 -0.264 7.536 -5.805 1.00 0.00 C ATOM 0 H LEU A 30 1.273 5.890 -2.029 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.444 7.840 -3.056 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.036 4.924 -3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.394 5.661 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 30 1.366 6.828 -4.604 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.387 5.696 -6.846 1.00 0.00 H new ATOM 0 HD12 LEU A 30 1.349 4.515 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.136 4.877 -6.426 1.00 0.00 H new ATOM 0 HD21 LEU A 30 0.372 7.891 -6.616 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.197 7.152 -6.217 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -0.480 8.360 -5.125 1.00 0.00 H new ATOM 457 N PRO A 31 -2.798 7.523 -1.984 1.00 0.00 N ATOM 458 CA PRO A 31 -4.030 7.455 -1.191 1.00 0.00 C ATOM 459 C PRO A 31 -4.804 6.130 -1.236 1.00 0.00 C ATOM 460 O PRO A 31 -5.544 5.856 -0.298 1.00 0.00 O ATOM 461 CB PRO A 31 -4.896 8.618 -1.677 1.00 0.00 C ATOM 462 CG PRO A 31 -3.856 9.656 -2.088 1.00 0.00 C ATOM 463 CD PRO A 31 -2.725 8.809 -2.666 1.00 0.00 C ATOM 0 HA PRO A 31 -3.757 7.522 -0.138 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -5.532 8.328 -2.513 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -5.553 8.991 -0.891 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -4.253 10.354 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -3.521 10.248 -1.237 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.840 8.687 -3.743 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -1.758 9.284 -2.501 1.00 0.00 H new ATOM 471 N LEU A 32 -4.618 5.309 -2.280 1.00 0.00 N ATOM 472 CA LEU A 32 -5.086 3.927 -2.393 1.00 0.00 C ATOM 473 C LEU A 32 -3.878 2.978 -2.345 1.00 0.00 C ATOM 474 O LEU A 32 -2.884 3.198 -3.037 1.00 0.00 O ATOM 475 CB LEU A 32 -5.839 3.760 -3.727 1.00 0.00 C ATOM 476 CG LEU A 32 -6.462 2.362 -3.938 1.00 0.00 C ATOM 477 CD1 LEU A 32 -7.766 2.174 -3.176 1.00 0.00 C ATOM 478 CD2 LEU A 32 -6.738 2.136 -5.418 1.00 0.00 C ATOM 0 H LEU A 32 -4.109 5.611 -3.111 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.758 3.689 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -6.630 4.508 -3.780 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.151 3.965 -4.547 1.00 0.00 H new ATOM 0 HG LEU A 32 -5.739 1.641 -3.557 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -8.156 1.173 -3.363 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -7.585 2.299 -2.108 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -8.493 2.915 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -7.177 1.148 -5.560 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -7.431 2.896 -5.779 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -5.804 2.201 -5.976 1.00 0.00 H new ATOM 490 N GLN A 33 -3.999 1.889 -1.584 1.00 0.00 N ATOM 491 CA GLN A 33 -3.068 0.761 -1.562 1.00 0.00 C ATOM 492 C GLN A 33 -3.837 -0.530 -1.873 1.00 0.00 C ATOM 493 O GLN A 33 -5.002 -0.671 -1.499 1.00 0.00 O ATOM 494 CB GLN A 33 -2.425 0.639 -0.172 1.00 0.00 C ATOM 495 CG GLN A 33 -1.640 1.864 0.320 1.00 0.00 C ATOM 496 CD GLN A 33 -0.384 2.192 -0.480 1.00 0.00 C ATOM 497 OE1 GLN A 33 0.584 1.443 -0.508 1.00 0.00 O ATOM 498 NE2 GLN A 33 -0.321 3.348 -1.103 1.00 0.00 N ATOM 0 H GLN A 33 -4.780 1.764 -0.940 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.289 0.923 -2.307 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.211 0.422 0.552 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.753 -0.219 -0.179 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.301 2.731 0.301 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.357 1.701 1.360 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.121 3.980 -1.087 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.528 3.612 -1.603 1.00 0.00 H new ATOM 507 N CYS A 34 -3.170 -1.499 -2.508 1.00 0.00 N ATOM 508 CA CYS A 34 -3.707 -2.834 -2.772 1.00 0.00 C ATOM 509 C CYS A 34 -2.614 -3.889 -2.577 1.00 0.00 C ATOM 510 O CYS A 34 -1.436 -3.597 -2.789 1.00 0.00 O ATOM 511 CB CYS A 34 -4.257 -2.903 -4.204 1.00 0.00 C ATOM 512 SG CYS A 34 -5.632 -1.798 -4.634 1.00 0.00 S ATOM 0 H CYS A 34 -2.221 -1.372 -2.860 1.00 0.00 H new ATOM 0 HA CYS A 34 -4.517 -3.034 -2.071 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -3.435 -2.698 -4.889 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -4.579 -3.927 -4.391 1.00 0.00 H new ATOM 517 N TYR A 35 -3.000 -5.122 -2.229 1.00 0.00 N ATOM 518 CA TYR A 35 -2.070 -6.240 -2.027 1.00 0.00 C ATOM 519 C TYR A 35 -2.491 -7.455 -2.868 1.00 0.00 C ATOM 520 O TYR A 35 -3.254 -8.323 -2.437 1.00 0.00 O ATOM 521 CB TYR A 35 -1.890 -6.506 -0.523 1.00 0.00 C ATOM 522 CG TYR A 35 -0.771 -7.466 -0.139 1.00 0.00 C ATOM 523 CD1 TYR A 35 0.507 -7.364 -0.734 1.00 0.00 C ATOM 524 CD2 TYR A 35 -0.988 -8.421 0.875 1.00 0.00 C ATOM 525 CE1 TYR A 35 1.543 -8.232 -0.343 1.00 0.00 C ATOM 526 CE2 TYR A 35 0.045 -9.294 1.269 1.00 0.00 C ATOM 527 CZ TYR A 35 1.310 -9.205 0.651 1.00 0.00 C ATOM 528 OH TYR A 35 2.309 -10.050 1.012 1.00 0.00 O ATOM 0 H TYR A 35 -3.977 -5.375 -2.078 1.00 0.00 H new ATOM 0 HA TYR A 35 -1.076 -5.986 -2.395 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -1.710 -5.553 -0.026 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -2.828 -6.898 -0.130 1.00 0.00 H new ATOM 0 HD1 TYR A 35 0.689 -6.617 -1.492 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -1.954 -8.484 1.354 1.00 0.00 H new ATOM 0 HE1 TYR A 35 2.516 -8.153 -0.804 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -0.131 -10.028 2.041 1.00 0.00 H new ATOM 0 HH TYR A 35 3.143 -9.546 1.113 1.00 0.00 H new ATOM 538 N GLY A 36 -1.998 -7.489 -4.113 1.00 0.00 N ATOM 539 CA GLY A 36 -2.412 -8.413 -5.177 1.00 0.00 C ATOM 540 C GLY A 36 -2.193 -9.909 -4.919 1.00 0.00 C ATOM 541 O GLY A 36 -2.770 -10.720 -5.635 1.00 0.00 O ATOM 0 H GLY A 36 -1.268 -6.846 -4.419 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.473 -8.254 -5.371 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -1.877 -8.144 -6.088 1.00 0.00 H new ATOM 545 N SER A 37 -1.420 -10.290 -3.895 1.00 0.00 N ATOM 546 CA SER A 37 -1.310 -11.677 -3.424 1.00 0.00 C ATOM 547 C SER A 37 -2.618 -12.206 -2.818 1.00 0.00 C ATOM 548 O SER A 37 -2.856 -13.411 -2.855 1.00 0.00 O ATOM 549 CB SER A 37 -0.196 -11.773 -2.380 1.00 0.00 C ATOM 550 OG SER A 37 -0.470 -10.856 -1.342 1.00 0.00 O ATOM 0 H SER A 37 -0.846 -9.636 -3.363 1.00 0.00 H new ATOM 0 HA SER A 37 -1.082 -12.294 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.136 -12.786 -1.983 1.00 0.00 H new ATOM 0 HB3 SER A 37 0.769 -11.551 -2.835 1.00 0.00 H new ATOM 0 HG SER A 37 0.370 -10.575 -0.923 1.00 0.00 H new ATOM 556 N ILE A 38 -3.476 -11.313 -2.302 1.00 0.00 N ATOM 557 CA ILE A 38 -4.825 -11.605 -1.815 1.00 0.00 C ATOM 558 C ILE A 38 -5.908 -10.825 -2.578 1.00 0.00 C ATOM 559 O ILE A 38 -7.081 -11.195 -2.521 1.00 0.00 O ATOM 560 CB ILE A 38 -4.901 -11.348 -0.295 1.00 0.00 C ATOM 561 CG1 ILE A 38 -4.505 -9.907 0.099 1.00 0.00 C ATOM 562 CG2 ILE A 38 -4.055 -12.393 0.457 1.00 0.00 C ATOM 563 CD1 ILE A 38 -4.829 -9.552 1.554 1.00 0.00 C ATOM 0 H ILE A 38 -3.234 -10.326 -2.211 1.00 0.00 H new ATOM 0 HA ILE A 38 -5.028 -12.659 -2.003 1.00 0.00 H new ATOM 0 HB ILE A 38 -5.945 -11.455 0.000 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.436 -9.776 -0.068 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.019 -9.206 -0.559 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -4.113 -12.205 1.529 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -4.435 -13.392 0.242 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -3.017 -12.322 0.132 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -4.522 -8.526 1.755 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -5.902 -9.650 1.722 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.294 -10.228 2.221 1.00 0.00 H new ATOM 575 N GLY A 39 -5.537 -9.762 -3.304 1.00 0.00 N ATOM 576 CA GLY A 39 -6.422 -8.962 -4.157 1.00 0.00 C ATOM 577 C GLY A 39 -7.234 -7.894 -3.414 1.00 0.00 C ATOM 578 O GLY A 39 -8.136 -7.310 -4.007 1.00 0.00 O ATOM 0 H GLY A 39 -4.575 -9.424 -3.313 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -5.821 -8.474 -4.924 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.112 -9.632 -4.671 1.00 0.00 H new ATOM 582 N TYR A 40 -6.946 -7.649 -2.132 1.00 0.00 N ATOM 583 CA TYR A 40 -7.625 -6.636 -1.320 1.00 0.00 C ATOM 584 C TYR A 40 -7.013 -5.248 -1.550 1.00 0.00 C ATOM 585 O TYR A 40 -5.839 -5.129 -1.917 1.00 0.00 O ATOM 586 CB TYR A 40 -7.500 -6.995 0.173 1.00 0.00 C ATOM 587 CG TYR A 40 -8.553 -7.950 0.703 1.00 0.00 C ATOM 588 CD1 TYR A 40 -8.591 -9.292 0.276 1.00 0.00 C ATOM 589 CD2 TYR A 40 -9.495 -7.492 1.647 1.00 0.00 C ATOM 590 CE1 TYR A 40 -9.563 -10.172 0.790 1.00 0.00 C ATOM 591 CE2 TYR A 40 -10.476 -8.363 2.149 1.00 0.00 C ATOM 592 CZ TYR A 40 -10.510 -9.707 1.728 1.00 0.00 C ATOM 593 OH TYR A 40 -11.458 -10.547 2.226 1.00 0.00 O ATOM 0 H TYR A 40 -6.223 -8.157 -1.622 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.674 -6.614 -1.615 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.517 -7.434 0.343 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.542 -6.075 0.755 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -7.872 -9.647 -0.448 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -9.462 -6.467 1.986 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -9.584 -11.202 0.467 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -11.205 -8.002 2.859 1.00 0.00 H new ATOM 0 HH TYR A 40 -12.026 -10.061 2.860 1.00 0.00 H new ATOM 603 N CYS A 41 -7.795 -4.204 -1.246 1.00 0.00 N ATOM 604 CA CYS A 41 -7.344 -2.814 -1.200 1.00 0.00 C ATOM 605 C CYS A 41 -7.835 -2.091 0.058 1.00 0.00 C ATOM 606 O CYS A 41 -8.751 -2.546 0.747 1.00 0.00 O ATOM 607 CB CYS A 41 -7.785 -2.048 -2.461 1.00 0.00 C ATOM 608 SG CYS A 41 -7.324 -2.783 -4.054 1.00 0.00 S ATOM 0 H CYS A 41 -8.784 -4.309 -1.020 1.00 0.00 H new ATOM 0 HA CYS A 41 -6.255 -2.836 -1.165 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -8.870 -1.942 -2.435 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -7.366 -1.043 -2.414 1.00 0.00 H new ATOM 613 N TRP A 42 -7.217 -0.940 0.325 1.00 0.00 N ATOM 614 CA TRP A 42 -7.629 0.041 1.324 1.00 0.00 C ATOM 615 C TRP A 42 -7.113 1.427 0.923 1.00 0.00 C ATOM 616 O TRP A 42 -6.192 1.564 0.116 1.00 0.00 O ATOM 617 CB TRP A 42 -7.092 -0.353 2.707 1.00 0.00 C ATOM 618 CG TRP A 42 -5.602 -0.462 2.828 1.00 0.00 C ATOM 619 CD1 TRP A 42 -4.767 0.526 3.229 1.00 0.00 C ATOM 620 CD2 TRP A 42 -4.753 -1.615 2.530 1.00 0.00 C ATOM 621 NE1 TRP A 42 -3.469 0.048 3.249 1.00 0.00 N ATOM 622 CE2 TRP A 42 -3.403 -1.255 2.808 1.00 0.00 C ATOM 623 CE3 TRP A 42 -4.979 -2.923 2.043 1.00 0.00 C ATOM 624 CZ2 TRP A 42 -2.333 -2.139 2.620 1.00 0.00 C ATOM 625 CZ3 TRP A 42 -3.912 -3.820 1.843 1.00 0.00 C ATOM 626 CH2 TRP A 42 -2.593 -3.431 2.135 1.00 0.00 C ATOM 0 H TRP A 42 -6.375 -0.655 -0.175 1.00 0.00 H new ATOM 0 HA TRP A 42 -8.717 0.068 1.375 1.00 0.00 H new ATOM 0 HB2 TRP A 42 -7.443 0.380 3.433 1.00 0.00 H new ATOM 0 HB3 TRP A 42 -7.530 -1.312 2.985 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -5.067 1.530 3.492 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.662 0.593 3.552 1.00 0.00 H new ATOM 0 HE3 TRP A 42 -5.987 -3.240 1.821 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.322 -1.831 2.845 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 -4.108 -4.812 1.463 1.00 0.00 H new ATOM 0 HH2 TRP A 42 -1.780 -4.126 1.986 1.00 0.00 H new ATOM 637 N CYS A 43 -7.671 2.466 1.535 1.00 0.00 N ATOM 638 CA CYS A 43 -7.159 3.823 1.448 1.00 0.00 C ATOM 639 C CYS A 43 -6.163 4.071 2.584 1.00 0.00 C ATOM 640 O CYS A 43 -6.308 3.523 3.678 1.00 0.00 O ATOM 641 CB CYS A 43 -8.312 4.832 1.524 1.00 0.00 C ATOM 642 SG CYS A 43 -9.519 4.720 0.180 1.00 0.00 S ATOM 0 H CYS A 43 -8.506 2.384 2.115 1.00 0.00 H new ATOM 0 HA CYS A 43 -6.650 3.951 0.493 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -8.833 4.695 2.472 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -7.894 5.838 1.533 1.00 0.00 H new ATOM 647 N VAL A 44 -5.186 4.947 2.349 1.00 0.00 N ATOM 648 CA VAL A 44 -4.236 5.425 3.359 1.00 0.00 C ATOM 649 C VAL A 44 -4.194 6.949 3.363 1.00 0.00 C ATOM 650 O VAL A 44 -4.406 7.597 2.337 1.00 0.00 O ATOM 651 CB VAL A 44 -2.799 4.899 3.133 1.00 0.00 C ATOM 652 CG1 VAL A 44 -2.694 3.380 3.277 1.00 0.00 C ATOM 653 CG2 VAL A 44 -2.212 5.294 1.775 1.00 0.00 C ATOM 0 H VAL A 44 -5.028 5.356 1.428 1.00 0.00 H new ATOM 0 HA VAL A 44 -4.591 5.041 4.316 1.00 0.00 H new ATOM 0 HB VAL A 44 -2.218 5.380 3.920 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.663 3.069 3.108 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -3.001 3.088 4.281 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.343 2.899 2.545 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.203 4.892 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.836 4.891 0.978 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.178 6.381 1.695 1.00 0.00 H new ATOM 663 N PHE A 45 -3.886 7.529 4.521 1.00 0.00 N ATOM 664 CA PHE A 45 -3.523 8.938 4.606 1.00 0.00 C ATOM 665 C PHE A 45 -2.103 9.079 3.994 1.00 0.00 C ATOM 666 O PHE A 45 -1.355 8.097 4.004 1.00 0.00 O ATOM 667 CB PHE A 45 -3.592 9.371 6.078 1.00 0.00 C ATOM 668 CG PHE A 45 -4.984 9.278 6.698 1.00 0.00 C ATOM 669 CD1 PHE A 45 -5.996 10.164 6.279 1.00 0.00 C ATOM 670 CD2 PHE A 45 -5.264 8.343 7.714 1.00 0.00 C ATOM 671 CE1 PHE A 45 -7.271 10.115 6.871 1.00 0.00 C ATOM 672 CE2 PHE A 45 -6.534 8.300 8.313 1.00 0.00 C ATOM 673 CZ PHE A 45 -7.540 9.187 7.893 1.00 0.00 C ATOM 0 H PHE A 45 -3.881 7.040 5.416 1.00 0.00 H new ATOM 0 HA PHE A 45 -4.201 9.587 4.053 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -2.907 8.753 6.658 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -3.240 10.399 6.159 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -5.792 10.884 5.500 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -4.497 7.654 8.035 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -8.045 10.791 6.540 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -6.737 7.585 9.097 1.00 0.00 H new ATOM 0 HZ PHE A 45 -8.516 9.156 8.354 1.00 0.00 H new ATOM 683 N PRO A 46 -1.675 10.250 3.475 1.00 0.00 N ATOM 684 CA PRO A 46 -0.413 10.401 2.720 1.00 0.00 C ATOM 685 C PRO A 46 0.885 9.930 3.407 1.00 0.00 C ATOM 686 O PRO A 46 1.895 9.721 2.734 1.00 0.00 O ATOM 687 CB PRO A 46 -0.324 11.891 2.380 1.00 0.00 C ATOM 688 CG PRO A 46 -1.788 12.316 2.297 1.00 0.00 C ATOM 689 CD PRO A 46 -2.456 11.476 3.385 1.00 0.00 C ATOM 0 HA PRO A 46 -0.467 9.736 1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 46 0.214 12.448 3.147 1.00 0.00 H new ATOM 0 HB3 PRO A 46 0.198 12.059 1.438 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -1.909 13.384 2.481 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.212 12.112 1.314 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -2.464 12.005 4.338 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.494 11.261 3.131 1.00 0.00 H new ATOM 697 N ASN A 47 0.859 9.743 4.734 1.00 0.00 N ATOM 698 CA ASN A 47 1.913 9.169 5.563 1.00 0.00 C ATOM 699 C ASN A 47 1.938 7.621 5.611 1.00 0.00 C ATOM 700 O ASN A 47 2.839 7.058 6.227 1.00 0.00 O ATOM 701 CB ASN A 47 1.797 9.772 6.976 1.00 0.00 C ATOM 702 CG ASN A 47 0.462 9.486 7.653 1.00 0.00 C ATOM 703 OD1 ASN A 47 -0.063 8.382 7.623 1.00 0.00 O ATOM 704 ND2 ASN A 47 -0.148 10.476 8.272 1.00 0.00 N ATOM 0 H ASN A 47 0.044 10.008 5.288 1.00 0.00 H new ATOM 0 HA ASN A 47 2.865 9.430 5.101 1.00 0.00 H new ATOM 0 HB2 ASN A 47 2.602 9.379 7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 47 1.940 10.851 6.915 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -1.050 10.318 8.721 1.00 0.00 H new ATOM 0 HD22 ASN A 47 0.282 11.400 8.302 1.00 0.00 H new ATOM 711 N GLY A 48 0.965 6.939 4.990 1.00 0.00 N ATOM 712 CA GLY A 48 0.852 5.478 4.922 1.00 0.00 C ATOM 713 C GLY A 48 -0.161 4.864 5.894 1.00 0.00 C ATOM 714 O GLY A 48 -0.376 3.654 5.859 1.00 0.00 O ATOM 0 H GLY A 48 0.204 7.412 4.502 1.00 0.00 H new ATOM 0 HA2 GLY A 48 0.576 5.196 3.906 1.00 0.00 H new ATOM 0 HA3 GLY A 48 1.832 5.043 5.118 1.00 0.00 H new ATOM 718 N THR A 49 -0.797 5.671 6.752 1.00 0.00 N ATOM 719 CA THR A 49 -1.750 5.203 7.769 1.00 0.00 C ATOM 720 C THR A 49 -3.068 4.804 7.108 1.00 0.00 C ATOM 721 O THR A 49 -3.782 5.660 6.589 1.00 0.00 O ATOM 722 CB THR A 49 -2.005 6.274 8.842 1.00 0.00 C ATOM 723 OG1 THR A 49 -0.786 6.702 9.399 1.00 0.00 O ATOM 724 CG2 THR A 49 -2.876 5.761 9.990 1.00 0.00 C ATOM 0 H THR A 49 -0.663 6.682 6.760 1.00 0.00 H new ATOM 0 HA THR A 49 -1.312 4.334 8.260 1.00 0.00 H new ATOM 0 HB THR A 49 -2.524 7.090 8.339 1.00 0.00 H new ATOM 0 HG1 THR A 49 -0.437 7.457 8.881 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.024 6.558 10.719 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.842 5.443 9.599 1.00 0.00 H new ATOM 0 HG23 THR A 49 -2.383 4.916 10.471 1.00 0.00 H new ATOM 732 N GLU A 50 -3.386 3.508 7.110 1.00 0.00 N ATOM 733 CA GLU A 50 -4.638 2.955 6.592 1.00 0.00 C ATOM 734 C GLU A 50 -5.897 3.574 7.221 1.00 0.00 C ATOM 735 O GLU A 50 -5.952 3.842 8.419 1.00 0.00 O ATOM 736 CB GLU A 50 -4.588 1.426 6.776 1.00 0.00 C ATOM 737 CG GLU A 50 -5.898 0.701 6.418 1.00 0.00 C ATOM 738 CD GLU A 50 -5.767 -0.821 6.305 1.00 0.00 C ATOM 739 OE1 GLU A 50 -4.679 -1.356 6.616 1.00 0.00 O ATOM 740 OE2 GLU A 50 -6.786 -1.436 5.923 1.00 0.00 O ATOM 0 H GLU A 50 -2.761 2.794 7.483 1.00 0.00 H new ATOM 0 HA GLU A 50 -4.721 3.209 5.535 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -3.784 1.024 6.160 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -4.336 1.205 7.813 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -6.647 0.934 7.175 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -6.269 1.093 5.471 1.00 0.00 H new ATOM 747 N VAL A 51 -6.930 3.741 6.386 1.00 0.00 N ATOM 748 CA VAL A 51 -8.309 4.080 6.747 1.00 0.00 C ATOM 749 C VAL A 51 -9.064 2.733 6.760 1.00 0.00 C ATOM 750 O VAL A 51 -9.599 2.330 5.719 1.00 0.00 O ATOM 751 CB VAL A 51 -8.919 5.068 5.725 1.00 0.00 C ATOM 752 CG1 VAL A 51 -10.323 5.501 6.172 1.00 0.00 C ATOM 753 CG2 VAL A 51 -8.060 6.326 5.548 1.00 0.00 C ATOM 0 H VAL A 51 -6.816 3.636 5.378 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.371 4.580 7.714 1.00 0.00 H new ATOM 0 HB VAL A 51 -8.965 4.540 4.772 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -10.739 6.196 5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.967 4.625 6.247 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.261 5.990 7.144 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -8.530 6.988 4.821 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -7.970 6.842 6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -7.069 6.043 5.193 1.00 0.00 H new ATOM 763 N PRO A 52 -9.122 1.989 7.887 1.00 0.00 N ATOM 764 CA PRO A 52 -9.572 0.588 7.894 1.00 0.00 C ATOM 765 C PRO A 52 -11.013 0.314 7.501 1.00 0.00 C ATOM 766 O PRO A 52 -11.385 -0.781 7.093 1.00 0.00 O ATOM 767 CB PRO A 52 -9.219 0.047 9.282 1.00 0.00 C ATOM 768 CG PRO A 52 -9.275 1.301 10.153 1.00 0.00 C ATOM 769 CD PRO A 52 -8.719 2.383 9.227 1.00 0.00 C ATOM 0 HA PRO A 52 -9.056 0.065 7.089 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -9.929 -0.710 9.615 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -8.231 -0.414 9.298 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -10.292 1.526 10.473 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -8.674 1.193 11.056 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -9.118 3.364 9.485 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -7.634 2.449 9.307 1.00 0.00 H new ATOM 777 N ASN A 53 -11.786 1.377 7.500 1.00 0.00 N ATOM 778 CA ASN A 53 -13.157 1.467 7.024 1.00 0.00 C ATOM 779 C ASN A 53 -13.283 1.269 5.506 1.00 0.00 C ATOM 780 O ASN A 53 -14.380 1.055 4.999 1.00 0.00 O ATOM 781 CB ASN A 53 -13.755 2.818 7.459 1.00 0.00 C ATOM 782 CG ASN A 53 -13.462 3.165 8.913 1.00 0.00 C ATOM 783 OD1 ASN A 53 -12.380 3.626 9.246 1.00 0.00 O ATOM 784 ND2 ASN A 53 -14.399 2.946 9.813 1.00 0.00 N ATOM 0 H ASN A 53 -11.451 2.271 7.858 1.00 0.00 H new ATOM 0 HA ASN A 53 -13.720 0.650 7.475 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.360 3.606 6.818 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.834 2.795 7.308 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -14.224 3.161 10.794 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -15.300 2.561 9.528 1.00 0.00 H new ATOM 791 N THR A 54 -12.153 1.312 4.795 1.00 0.00 N ATOM 792 CA THR A 54 -12.028 1.034 3.362 1.00 0.00 C ATOM 793 C THR A 54 -11.444 -0.348 3.080 1.00 0.00 C ATOM 794 O THR A 54 -11.347 -0.711 1.912 1.00 0.00 O ATOM 795 CB THR A 54 -11.167 2.101 2.670 1.00 0.00 C ATOM 796 OG1 THR A 54 -9.856 2.096 3.195 1.00 0.00 O ATOM 797 CG2 THR A 54 -11.769 3.497 2.858 1.00 0.00 C ATOM 0 H THR A 54 -11.259 1.553 5.223 1.00 0.00 H new ATOM 0 HA THR A 54 -13.040 1.059 2.958 1.00 0.00 H new ATOM 0 HB THR A 54 -11.139 1.861 1.607 1.00 0.00 H new ATOM 0 HG1 THR A 54 -9.848 2.559 4.059 1.00 0.00 H new ATOM 0 HG21 THR A 54 -11.141 4.234 2.359 1.00 0.00 H new ATOM 0 HG22 THR A 54 -12.770 3.522 2.428 1.00 0.00 H new ATOM 0 HG23 THR A 54 -11.825 3.729 3.922 1.00 0.00 H new ATOM 805 N ARG A 55 -11.062 -1.130 4.107 1.00 0.00 N ATOM 806 CA ARG A 55 -10.419 -2.439 3.908 1.00 0.00 C ATOM 807 C ARG A 55 -11.391 -3.381 3.187 1.00 0.00 C ATOM 808 O ARG A 55 -12.353 -3.864 3.793 1.00 0.00 O ATOM 809 CB ARG A 55 -9.903 -2.984 5.254 1.00 0.00 C ATOM 810 CG ARG A 55 -9.053 -4.266 5.104 1.00 0.00 C ATOM 811 CD ARG A 55 -9.663 -5.497 5.793 1.00 0.00 C ATOM 812 NE ARG A 55 -11.023 -5.751 5.305 1.00 0.00 N ATOM 813 CZ ARG A 55 -11.701 -6.881 5.251 1.00 0.00 C ATOM 814 NH1 ARG A 55 -11.208 -8.015 5.688 1.00 0.00 N ATOM 815 NH2 ARG A 55 -12.902 -6.855 4.725 1.00 0.00 N ATOM 0 H ARG A 55 -11.189 -0.875 5.086 1.00 0.00 H new ATOM 0 HA ARG A 55 -9.543 -2.345 3.267 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -9.307 -2.215 5.746 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -10.753 -3.193 5.904 1.00 0.00 H new ATOM 0 HG2 ARG A 55 -8.922 -4.482 4.044 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -8.061 -4.084 5.517 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -9.037 -6.370 5.607 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -9.683 -5.342 6.872 1.00 0.00 H new ATOM 0 HE ARG A 55 -11.518 -4.931 4.955 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -10.270 -8.043 6.087 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -11.763 -8.869 5.629 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -13.286 -5.978 4.373 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -13.453 -7.712 4.668 1.00 0.00 H new ATOM 829 N SER A 56 -11.163 -3.624 1.893 1.00 0.00 N ATOM 830 CA SER A 56 -12.129 -4.303 1.025 1.00 0.00 C ATOM 831 C SER A 56 -11.494 -5.268 0.023 1.00 0.00 C ATOM 832 O SER A 56 -10.309 -5.180 -0.299 1.00 0.00 O ATOM 833 CB SER A 56 -12.958 -3.236 0.298 1.00 0.00 C ATOM 834 OG SER A 56 -14.045 -3.842 -0.375 1.00 0.00 O ATOM 0 H SER A 56 -10.302 -3.355 1.417 1.00 0.00 H new ATOM 0 HA SER A 56 -12.760 -4.926 1.659 1.00 0.00 H new ATOM 0 HB2 SER A 56 -13.327 -2.501 1.013 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.331 -2.700 -0.415 1.00 0.00 H new ATOM 0 HG SER A 56 -14.570 -3.154 -0.835 1.00 0.00 H new ATOM 840 N ARG A 57 -12.341 -6.160 -0.505 1.00 0.00 N ATOM 841 CA ARG A 57 -12.083 -7.266 -1.439 1.00 0.00 C ATOM 842 C ARG A 57 -11.522 -6.842 -2.808 1.00 0.00 C ATOM 843 O ARG A 57 -11.142 -7.704 -3.599 1.00 0.00 O ATOM 844 CB ARG A 57 -13.399 -8.067 -1.595 1.00 0.00 C ATOM 845 CG ARG A 57 -13.355 -9.455 -0.928 1.00 0.00 C ATOM 846 CD ARG A 57 -12.893 -10.572 -1.876 1.00 0.00 C ATOM 847 NE ARG A 57 -11.670 -10.200 -2.590 1.00 0.00 N ATOM 848 CZ ARG A 57 -10.473 -10.749 -2.591 1.00 0.00 C ATOM 849 NH1 ARG A 57 -10.203 -11.922 -2.075 1.00 0.00 N ATOM 850 NH2 ARG A 57 -9.496 -10.074 -3.134 1.00 0.00 N ATOM 0 H ARG A 57 -13.331 -6.121 -0.263 1.00 0.00 H new ATOM 0 HA ARG A 57 -11.289 -7.879 -1.012 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -14.219 -7.492 -1.165 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -13.617 -8.189 -2.656 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -12.684 -9.416 -0.070 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -14.347 -9.699 -0.547 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -12.719 -11.485 -1.306 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -13.683 -10.790 -2.595 1.00 0.00 H new ATOM 0 HE ARG A 57 -11.760 -9.378 -3.187 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -10.944 -12.470 -1.638 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -9.252 -12.288 -2.110 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -9.674 -9.155 -3.538 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -8.555 -10.466 -3.154 1.00 0.00 H new ATOM 864 N GLY A 58 -11.469 -5.544 -3.092 1.00 0.00 N ATOM 865 CA GLY A 58 -10.952 -5.001 -4.343 1.00 0.00 C ATOM 866 C GLY A 58 -10.917 -3.477 -4.395 1.00 0.00 C ATOM 867 O GLY A 58 -11.169 -2.782 -3.405 1.00 0.00 O ATOM 0 H GLY A 58 -11.791 -4.825 -2.444 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -9.943 -5.382 -4.502 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -11.565 -5.368 -5.166 1.00 0.00 H new ATOM 871 N HIS A 59 -10.552 -2.991 -5.584 1.00 0.00 N ATOM 872 CA HIS A 59 -10.233 -1.606 -5.914 1.00 0.00 C ATOM 873 C HIS A 59 -11.348 -0.610 -5.569 1.00 0.00 C ATOM 874 O HIS A 59 -12.536 -0.928 -5.619 1.00 0.00 O ATOM 875 CB HIS A 59 -9.896 -1.560 -7.411 1.00 0.00 C ATOM 876 CG HIS A 59 -9.146 -0.325 -7.830 1.00 0.00 C ATOM 877 ND1 HIS A 59 -9.693 0.862 -8.265 1.00 0.00 N ATOM 878 CD2 HIS A 59 -7.784 -0.196 -7.856 1.00 0.00 C ATOM 879 CE1 HIS A 59 -8.672 1.690 -8.552 1.00 0.00 C ATOM 880 NE2 HIS A 59 -7.495 1.083 -8.337 1.00 0.00 N ATOM 0 H HIS A 59 -10.467 -3.601 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 59 -9.387 -1.291 -5.303 1.00 0.00 H new ATOM 0 HB2 HIS A 59 -9.302 -2.438 -7.667 1.00 0.00 H new ATOM 0 HB3 HIS A 59 -10.821 -1.623 -7.984 1.00 0.00 H new ATOM 0 HD2 HIS A 59 -7.065 -0.945 -7.559 1.00 0.00 H new ATOM 0 HE1 HIS A 59 -8.784 2.704 -8.907 1.00 0.00 H new ATOM 0 HE2 HIS A 59 -6.568 1.479 -8.494 1.00 0.00 H new ATOM 888 N HIS A 60 -10.945 0.622 -5.252 1.00 0.00 N ATOM 889 CA HIS A 60 -11.815 1.752 -4.940 1.00 0.00 C ATOM 890 C HIS A 60 -11.082 3.077 -5.226 1.00 0.00 C ATOM 891 O HIS A 60 -9.972 3.066 -5.755 1.00 0.00 O ATOM 892 CB HIS A 60 -12.360 1.610 -3.504 1.00 0.00 C ATOM 893 CG HIS A 60 -11.425 1.033 -2.465 1.00 0.00 C ATOM 894 ND1 HIS A 60 -11.444 -0.265 -2.001 1.00 0.00 N ATOM 895 CD2 HIS A 60 -10.493 1.712 -1.728 1.00 0.00 C ATOM 896 CE1 HIS A 60 -10.604 -0.328 -0.955 1.00 0.00 C ATOM 897 NE2 HIS A 60 -9.978 0.840 -0.774 1.00 0.00 N ATOM 0 H HIS A 60 -9.956 0.868 -5.204 1.00 0.00 H new ATOM 0 HA HIS A 60 -12.691 1.760 -5.588 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -12.677 2.596 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -13.252 0.984 -3.541 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -11.994 -1.035 -2.382 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -10.207 2.745 -1.863 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -10.454 -1.204 -0.342 1.00 0.00 H new ATOM 905 N ASN A 61 -11.706 4.222 -4.929 1.00 0.00 N ATOM 906 CA ASN A 61 -11.259 5.550 -5.310 1.00 0.00 C ATOM 907 C ASN A 61 -11.271 6.482 -4.093 1.00 0.00 C ATOM 908 O ASN A 61 -12.280 7.095 -3.752 1.00 0.00 O ATOM 909 CB ASN A 61 -12.088 6.065 -6.497 1.00 0.00 C ATOM 910 CG ASN A 61 -11.854 5.236 -7.752 1.00 0.00 C ATOM 911 OD1 ASN A 61 -12.636 4.369 -8.108 1.00 0.00 O ATOM 912 ND2 ASN A 61 -10.761 5.467 -8.453 1.00 0.00 N ATOM 0 H ASN A 61 -12.574 4.240 -4.393 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.225 5.515 -5.653 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -13.147 6.042 -6.238 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -11.831 7.106 -6.696 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -10.569 4.921 -9.293 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -10.108 6.192 -8.155 1.00 0.00 H new ATOM 919 N CYS A 62 -10.122 6.515 -3.423 1.00 0.00 N ATOM 920 CA CYS A 62 -9.790 7.337 -2.260 1.00 0.00 C ATOM 921 C CYS A 62 -9.700 8.840 -2.593 1.00 0.00 C ATOM 922 O CYS A 62 -9.916 9.261 -3.730 1.00 0.00 O ATOM 923 CB CYS A 62 -8.443 6.819 -1.732 1.00 0.00 C ATOM 924 SG CYS A 62 -8.402 5.031 -1.479 1.00 0.00 S ATOM 0 H CYS A 62 -9.339 5.923 -3.699 1.00 0.00 H new ATOM 0 HA CYS A 62 -10.581 7.253 -1.514 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -7.657 7.096 -2.434 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -8.217 7.316 -0.789 1.00 0.00 H new ATOM 929 N SER A 63 -9.323 9.662 -1.603 1.00 0.00 N ATOM 930 CA SER A 63 -8.973 11.075 -1.762 1.00 0.00 C ATOM 931 C SER A 63 -7.692 11.239 -2.606 1.00 0.00 C ATOM 932 O SER A 63 -6.617 11.524 -2.078 1.00 0.00 O ATOM 933 CB SER A 63 -8.828 11.720 -0.375 1.00 0.00 C ATOM 934 OG SER A 63 -7.748 11.122 0.311 1.00 0.00 O ATOM 0 H SER A 63 -9.252 9.346 -0.636 1.00 0.00 H new ATOM 0 HA SER A 63 -9.771 11.585 -2.302 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.660 12.792 -0.476 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.749 11.594 0.194 1.00 0.00 H new ATOM 0 HG SER A 63 -6.982 11.039 -0.294 1.00 0.00 H new ATOM 940 N GLU A 64 -7.813 11.029 -3.919 1.00 0.00 N ATOM 941 CA GLU A 64 -6.709 10.901 -4.882 1.00 0.00 C ATOM 942 C GLU A 64 -6.757 11.913 -6.036 1.00 0.00 C ATOM 943 O GLU A 64 -6.115 11.738 -7.068 1.00 0.00 O ATOM 944 CB GLU A 64 -6.643 9.434 -5.351 1.00 0.00 C ATOM 945 CG GLU A 64 -7.818 9.036 -6.273 1.00 0.00 C ATOM 946 CD GLU A 64 -8.153 7.537 -6.286 1.00 0.00 C ATOM 947 OE1 GLU A 64 -7.810 6.826 -5.314 1.00 0.00 O ATOM 948 OE2 GLU A 64 -8.807 7.119 -7.269 1.00 0.00 O ATOM 0 H GLU A 64 -8.726 10.939 -4.364 1.00 0.00 H new ATOM 0 HA GLU A 64 -5.778 11.160 -4.377 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -5.704 9.270 -5.879 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -6.637 8.780 -4.479 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -8.705 9.589 -5.965 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.584 9.350 -7.290 1.00 0.00 H new ATOM 955 N SER A 65 -7.517 12.989 -5.838 1.00 0.00 N ATOM 956 CA SER A 65 -7.765 14.061 -6.806 1.00 0.00 C ATOM 957 C SER A 65 -6.454 14.652 -7.348 1.00 0.00 C ATOM 958 O SER A 65 -6.452 15.764 -7.884 1.00 0.00 O ATOM 959 CB SER A 65 -8.651 15.139 -6.165 1.00 0.00 C ATOM 960 OG SER A 65 -8.941 16.143 -7.113 1.00 0.00 O ATOM 0 H SER A 65 -8.002 13.146 -4.954 1.00 0.00 H new ATOM 0 HA SER A 65 -8.291 13.641 -7.663 1.00 0.00 H new ATOM 0 HB2 SER A 65 -9.576 14.693 -5.799 1.00 0.00 H new ATOM 0 HB3 SER A 65 -8.145 15.574 -5.303 1.00 0.00 H new ATOM 0 HG SER A 65 -8.132 16.354 -7.624 1.00 0.00 H new TER 966 SER A 65