USER MOD reduce.3.24.130724 H: found=0, std=0, add=437, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 434 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 22 ASN : amide:sc= -0.183 K(o=-0.22,f=-1) USER MOD Set 1.2: A 46 ASN : amide:sc= -0.0405 K(o=-0.22,f=-1) USER MOD Set 2.1: A 21 HIS : no HD1:sc= -0.826 K(o=-1.7,f=-2.2) USER MOD Set 2.2: A 35 GLN : amide:sc= -0.89 X(o=-1.7,f=-1.7) USER MOD Set 3.1: A 16 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.2: A 39 SER OG : rot 170:sc= 0 USER MOD Single : A 1 LEU N :NH3+ 149:sc= 0.0506 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN :FLIP amide:sc= 0 F(o=-1.9,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.146 K(o=-0.15,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 13 HIS : no HE2:sc= 1.07 K(o=1.1,f=-4.7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0.295 USER MOD Single : A 25 MET CE :methyl 160:sc= -0.0868 (180deg=-0.54) USER MOD Single : A 29 ASN : amide:sc=-0.00438 K(o=-0.0044,f=-0.88) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot -121:sc= 0.335 USER MOD Single : A 40 SER OG : rot 180:sc=-0.00843 USER MOD Single : A 42 SER OG : rot 166:sc= -1.35 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.213 USER MOD Single : A 47 ASN : amide:sc= -0.139 X(o=-0.14,f=0.2) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 ASN : amide:sc= -3.03! C(o=-3!,f=-12!) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 4.447 14.603 1.545 1.00 0.00 N ATOM 2 CA LEU A 1 4.583 13.382 2.315 1.00 0.00 C ATOM 3 C LEU A 1 5.734 12.574 1.840 1.00 0.00 C ATOM 4 O LEU A 1 6.061 12.581 0.664 1.00 0.00 O ATOM 5 CB LEU A 1 3.337 12.513 2.238 1.00 0.00 C ATOM 6 CG LEU A 1 2.127 12.957 3.030 1.00 0.00 C ATOM 7 CD1 LEU A 1 1.025 11.938 2.859 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.492 13.094 4.496 1.00 0.00 C ATOM 0 H1 LEU A 1 3.444 14.873 1.496 1.00 0.00 H new ATOM 0 H2 LEU A 1 4.988 15.364 2.003 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.812 14.449 0.583 1.00 0.00 H new ATOM 0 HA LEU A 1 4.740 13.695 3.347 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.044 12.436 1.191 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.606 11.510 2.568 1.00 0.00 H new ATOM 0 HG LEU A 1 1.784 13.926 2.666 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.149 12.251 3.427 1.00 0.00 H new ATOM 0 HD12 LEU A 1 0.764 11.858 1.804 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.366 10.969 3.223 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.616 13.414 5.061 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.838 12.133 4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.285 13.834 4.606 1.00 0.00 H new ATOM 22 N LYS A 2 6.401 11.966 2.760 1.00 0.00 N ATOM 23 CA LYS A 2 7.385 10.994 2.460 1.00 0.00 C ATOM 24 C LYS A 2 6.852 9.632 2.913 1.00 0.00 C ATOM 25 O LYS A 2 6.624 9.422 4.090 1.00 0.00 O ATOM 26 CB LYS A 2 8.748 11.370 3.086 1.00 0.00 C ATOM 27 CG LYS A 2 8.720 11.601 4.600 1.00 0.00 C ATOM 28 CD LYS A 2 10.068 12.049 5.155 1.00 0.00 C ATOM 29 CE LYS A 2 10.467 13.423 4.638 1.00 0.00 C ATOM 30 NZ LYS A 2 11.763 13.875 5.184 1.00 0.00 N ATOM 0 H LYS A 2 6.273 12.136 3.758 1.00 0.00 H new ATOM 0 HA LYS A 2 7.575 10.947 1.388 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.463 10.577 2.867 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.117 12.274 2.602 1.00 0.00 H new ATOM 0 HG2 LYS A 2 7.968 12.354 4.834 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.415 10.680 5.098 1.00 0.00 H new ATOM 0 HD2 LYS A 2 10.023 12.070 6.244 1.00 0.00 H new ATOM 0 HD3 LYS A 2 10.833 11.322 4.881 1.00 0.00 H new ATOM 0 HE2 LYS A 2 10.524 13.396 3.550 1.00 0.00 H new ATOM 0 HE3 LYS A 2 9.694 14.145 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 11.991 14.815 4.803 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 11.704 13.927 6.221 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 12.508 13.201 4.913 1.00 0.00 H new ATOM 44 N CYS A 3 6.595 8.747 1.996 1.00 0.00 N ATOM 45 CA CYS A 3 6.012 7.464 2.353 1.00 0.00 C ATOM 46 C CYS A 3 6.852 6.348 1.740 1.00 0.00 C ATOM 47 O CYS A 3 7.678 6.599 0.847 1.00 0.00 O ATOM 48 CB CYS A 3 4.535 7.380 1.884 1.00 0.00 C ATOM 49 SG CYS A 3 3.574 8.926 2.155 1.00 0.00 S ATOM 0 H CYS A 3 6.774 8.877 1.000 1.00 0.00 H new ATOM 0 HA CYS A 3 6.012 7.353 3.437 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.515 7.134 0.822 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.043 6.562 2.410 1.00 0.00 H new ATOM 54 N PHE A 4 6.671 5.136 2.209 1.00 0.00 N ATOM 55 CA PHE A 4 7.459 4.009 1.739 1.00 0.00 C ATOM 56 C PHE A 4 6.893 3.437 0.437 1.00 0.00 C ATOM 57 O PHE A 4 6.204 2.427 0.458 1.00 0.00 O ATOM 58 CB PHE A 4 7.515 2.886 2.795 1.00 0.00 C ATOM 59 CG PHE A 4 8.112 3.271 4.120 1.00 0.00 C ATOM 60 CD1 PHE A 4 9.470 3.184 4.329 1.00 0.00 C ATOM 61 CD2 PHE A 4 7.306 3.703 5.161 1.00 0.00 C ATOM 62 CE1 PHE A 4 10.020 3.518 5.545 1.00 0.00 C ATOM 63 CE2 PHE A 4 7.851 4.040 6.378 1.00 0.00 C ATOM 64 CZ PHE A 4 9.209 3.951 6.575 1.00 0.00 C ATOM 0 H PHE A 4 5.981 4.899 2.921 1.00 0.00 H new ATOM 0 HA PHE A 4 8.466 4.384 1.558 1.00 0.00 H new ATOM 0 HB2 PHE A 4 6.502 2.521 2.965 1.00 0.00 H new ATOM 0 HB3 PHE A 4 8.089 2.055 2.386 1.00 0.00 H new ATOM 0 HD1 PHE A 4 10.112 2.849 3.528 1.00 0.00 H new ATOM 0 HD2 PHE A 4 6.238 3.776 5.015 1.00 0.00 H new ATOM 0 HE1 PHE A 4 11.087 3.441 5.694 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.211 4.375 7.181 1.00 0.00 H new ATOM 0 HZ PHE A 4 9.638 4.218 7.529 1.00 0.00 H new ATOM 74 N GLN A 5 7.131 4.097 -0.682 1.00 0.00 N ATOM 75 CA GLN A 5 6.622 3.586 -1.967 1.00 0.00 C ATOM 76 C GLN A 5 7.485 2.437 -2.485 1.00 0.00 C ATOM 77 O GLN A 5 6.986 1.405 -2.913 1.00 0.00 O ATOM 78 CB GLN A 5 6.542 4.695 -3.027 1.00 0.00 C ATOM 79 CG GLN A 5 6.097 4.200 -4.407 1.00 0.00 C ATOM 80 CD GLN A 5 6.057 5.282 -5.472 1.00 0.00 C ATOM 81 OE1 GLN A 5 6.914 6.258 -5.369 1.00 0.00 O flip ATOM 82 NE2 GLN A 5 5.260 5.216 -6.402 1.00 0.00 N flip ATOM 0 H GLN A 5 7.659 4.968 -0.741 1.00 0.00 H new ATOM 0 HA GLN A 5 5.614 3.214 -1.783 1.00 0.00 H new ATOM 0 HB2 GLN A 5 5.847 5.462 -2.685 1.00 0.00 H new ATOM 0 HB3 GLN A 5 7.520 5.168 -3.119 1.00 0.00 H new ATOM 0 HG2 GLN A 5 6.773 3.410 -4.733 1.00 0.00 H new ATOM 0 HG3 GLN A 5 5.106 3.755 -4.319 1.00 0.00 H new ATOM 0 HE21 GLN A 5 4.601 4.439 -6.455 1.00 0.00 H new ATOM 0 HE22 GLN A 5 5.256 5.938 -7.123 1.00 0.00 H new ATOM 91 N HIS A 6 8.776 2.597 -2.367 1.00 0.00 N ATOM 92 CA HIS A 6 9.723 1.588 -2.855 1.00 0.00 C ATOM 93 C HIS A 6 10.006 0.619 -1.709 1.00 0.00 C ATOM 94 O HIS A 6 10.731 -0.349 -1.835 1.00 0.00 O ATOM 95 CB HIS A 6 11.037 2.308 -3.264 1.00 0.00 C ATOM 96 CG HIS A 6 12.052 1.479 -4.031 1.00 0.00 C ATOM 97 ND1 HIS A 6 12.833 0.478 -3.479 1.00 0.00 N ATOM 98 CD2 HIS A 6 12.414 1.547 -5.331 1.00 0.00 C ATOM 99 CE1 HIS A 6 13.622 -0.011 -4.433 1.00 0.00 C ATOM 100 NE2 HIS A 6 13.409 0.606 -5.583 1.00 0.00 N ATOM 0 H HIS A 6 9.213 3.413 -1.938 1.00 0.00 H new ATOM 0 HA HIS A 6 9.320 1.048 -3.712 1.00 0.00 H new ATOM 0 HB2 HIS A 6 10.776 3.175 -3.870 1.00 0.00 H new ATOM 0 HB3 HIS A 6 11.516 2.684 -2.360 1.00 0.00 H new ATOM 0 HD1 HIS A 6 12.808 0.168 -2.507 1.00 0.00 H new ATOM 0 HD2 HIS A 6 11.997 2.225 -6.061 1.00 0.00 H new ATOM 0 HE1 HIS A 6 14.340 -0.805 -4.287 1.00 0.00 H new ATOM 108 N GLY A 7 9.411 0.911 -0.583 1.00 0.00 N ATOM 109 CA GLY A 7 9.739 0.228 0.642 1.00 0.00 C ATOM 110 C GLY A 7 10.705 1.103 1.396 1.00 0.00 C ATOM 111 O GLY A 7 10.960 0.929 2.579 1.00 0.00 O ATOM 0 H GLY A 7 8.689 1.625 -0.488 1.00 0.00 H new ATOM 0 HA2 GLY A 7 8.842 0.047 1.234 1.00 0.00 H new ATOM 0 HA3 GLY A 7 10.184 -0.745 0.433 1.00 0.00 H new ATOM 115 N LYS A 8 11.235 2.055 0.664 1.00 0.00 N ATOM 116 CA LYS A 8 12.120 3.057 1.154 1.00 0.00 C ATOM 117 C LYS A 8 11.335 4.342 1.248 1.00 0.00 C ATOM 118 O LYS A 8 10.318 4.503 0.538 1.00 0.00 O ATOM 119 CB LYS A 8 13.277 3.258 0.174 1.00 0.00 C ATOM 120 CG LYS A 8 14.095 2.012 -0.107 1.00 0.00 C ATOM 121 CD LYS A 8 15.146 2.289 -1.163 1.00 0.00 C ATOM 122 CE LYS A 8 15.986 1.068 -1.462 1.00 0.00 C ATOM 123 NZ LYS A 8 16.995 1.346 -2.491 1.00 0.00 N ATOM 0 H LYS A 8 11.045 2.146 -0.334 1.00 0.00 H new ATOM 0 HA LYS A 8 12.525 2.764 2.123 1.00 0.00 H new ATOM 0 HB2 LYS A 8 12.876 3.633 -0.768 1.00 0.00 H new ATOM 0 HB3 LYS A 8 13.939 4.029 0.568 1.00 0.00 H new ATOM 0 HG2 LYS A 8 14.575 1.671 0.810 1.00 0.00 H new ATOM 0 HG3 LYS A 8 13.439 1.208 -0.441 1.00 0.00 H new ATOM 0 HD2 LYS A 8 14.660 2.627 -2.078 1.00 0.00 H new ATOM 0 HD3 LYS A 8 15.792 3.100 -0.827 1.00 0.00 H new ATOM 0 HE2 LYS A 8 16.479 0.732 -0.550 1.00 0.00 H new ATOM 0 HE3 LYS A 8 15.341 0.254 -1.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 17.553 0.487 -2.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 16.523 1.643 -3.369 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 17.625 2.106 -2.163 1.00 0.00 H new ATOM 137 N VAL A 9 11.774 5.230 2.096 1.00 0.00 N ATOM 138 CA VAL A 9 11.146 6.526 2.262 1.00 0.00 C ATOM 139 C VAL A 9 11.421 7.377 1.032 1.00 0.00 C ATOM 140 O VAL A 9 12.576 7.721 0.757 1.00 0.00 O ATOM 141 CB VAL A 9 11.699 7.269 3.502 1.00 0.00 C ATOM 142 CG1 VAL A 9 10.998 8.599 3.703 1.00 0.00 C ATOM 143 CG2 VAL A 9 11.589 6.420 4.745 1.00 0.00 C ATOM 0 H VAL A 9 12.583 5.081 2.699 1.00 0.00 H new ATOM 0 HA VAL A 9 10.076 6.366 2.397 1.00 0.00 H new ATOM 0 HB VAL A 9 12.755 7.465 3.319 1.00 0.00 H new ATOM 0 HG11 VAL A 9 11.408 9.097 4.581 1.00 0.00 H new ATOM 0 HG12 VAL A 9 11.151 9.227 2.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 9.931 8.430 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 9 11.986 6.971 5.598 1.00 0.00 H new ATOM 0 HG22 VAL A 9 10.543 6.175 4.927 1.00 0.00 H new ATOM 0 HG23 VAL A 9 12.159 5.501 4.609 1.00 0.00 H new ATOM 153 N VAL A 10 10.393 7.672 0.288 1.00 0.00 N ATOM 154 CA VAL A 10 10.508 8.501 -0.887 1.00 0.00 C ATOM 155 C VAL A 10 9.524 9.644 -0.770 1.00 0.00 C ATOM 156 O VAL A 10 8.508 9.520 -0.077 1.00 0.00 O ATOM 157 CB VAL A 10 10.263 7.721 -2.215 1.00 0.00 C ATOM 158 CG1 VAL A 10 11.228 6.555 -2.354 1.00 0.00 C ATOM 159 CG2 VAL A 10 8.829 7.243 -2.332 1.00 0.00 C ATOM 0 H VAL A 10 9.446 7.345 0.477 1.00 0.00 H new ATOM 0 HA VAL A 10 11.533 8.870 -0.934 1.00 0.00 H new ATOM 0 HB VAL A 10 10.447 8.418 -3.033 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.033 6.031 -3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 10 12.252 6.928 -2.354 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.092 5.869 -1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 10 8.700 6.704 -3.271 1.00 0.00 H new ATOM 0 HG22 VAL A 10 8.597 6.580 -1.499 1.00 0.00 H new ATOM 0 HG23 VAL A 10 8.157 8.101 -2.311 1.00 0.00 H new ATOM 169 N THR A 11 9.828 10.743 -1.383 1.00 0.00 N ATOM 170 CA THR A 11 8.973 11.883 -1.321 1.00 0.00 C ATOM 171 C THR A 11 7.836 11.753 -2.353 1.00 0.00 C ATOM 172 O THR A 11 8.075 11.495 -3.544 1.00 0.00 O ATOM 173 CB THR A 11 9.779 13.164 -1.576 1.00 0.00 C ATOM 174 OG1 THR A 11 10.956 13.134 -0.749 1.00 0.00 O ATOM 175 CG2 THR A 11 8.961 14.391 -1.211 1.00 0.00 C ATOM 0 H THR A 11 10.673 10.875 -1.939 1.00 0.00 H new ATOM 0 HA THR A 11 8.535 11.938 -0.325 1.00 0.00 H new ATOM 0 HB THR A 11 10.043 13.215 -2.632 1.00 0.00 H new ATOM 0 HG1 THR A 11 11.484 13.946 -0.901 1.00 0.00 H new ATOM 0 HG21 THR A 11 9.549 15.289 -1.399 1.00 0.00 H new ATOM 0 HG22 THR A 11 8.055 14.417 -1.816 1.00 0.00 H new ATOM 0 HG23 THR A 11 8.691 14.348 -0.156 1.00 0.00 H new ATOM 183 N CYS A 12 6.635 11.888 -1.883 1.00 0.00 N ATOM 184 CA CYS A 12 5.452 11.841 -2.702 1.00 0.00 C ATOM 185 C CYS A 12 5.251 13.213 -3.315 1.00 0.00 C ATOM 186 O CYS A 12 5.709 14.220 -2.739 1.00 0.00 O ATOM 187 CB CYS A 12 4.273 11.500 -1.815 1.00 0.00 C ATOM 188 SG CYS A 12 4.571 10.069 -0.719 1.00 0.00 S ATOM 0 H CYS A 12 6.439 12.038 -0.893 1.00 0.00 H new ATOM 0 HA CYS A 12 5.546 11.093 -3.490 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.025 12.369 -1.205 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.406 11.292 -2.442 1.00 0.00 H new ATOM 193 N HIS A 13 4.596 13.278 -4.463 1.00 0.00 N ATOM 194 CA HIS A 13 4.392 14.545 -5.138 1.00 0.00 C ATOM 195 C HIS A 13 3.443 15.419 -4.307 1.00 0.00 C ATOM 196 O HIS A 13 2.700 14.920 -3.449 1.00 0.00 O ATOM 197 CB HIS A 13 3.844 14.334 -6.570 1.00 0.00 C ATOM 198 CG HIS A 13 4.051 15.514 -7.496 1.00 0.00 C ATOM 199 ND1 HIS A 13 3.039 16.305 -8.014 1.00 0.00 N ATOM 200 CD2 HIS A 13 5.203 16.012 -8.013 1.00 0.00 C ATOM 201 CE1 HIS A 13 3.593 17.231 -8.798 1.00 0.00 C ATOM 202 NE2 HIS A 13 4.908 17.100 -8.835 1.00 0.00 N ATOM 0 H HIS A 13 4.199 12.471 -4.944 1.00 0.00 H new ATOM 0 HA HIS A 13 5.352 15.053 -5.232 1.00 0.00 H new ATOM 0 HB2 HIS A 13 4.324 13.457 -7.005 1.00 0.00 H new ATOM 0 HB3 HIS A 13 2.778 14.117 -6.510 1.00 0.00 H new ATOM 0 HD1 HIS A 13 2.042 16.198 -7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 13 6.193 15.626 -7.819 1.00 0.00 H new ATOM 0 HE1 HIS A 13 3.040 17.989 -9.333 1.00 0.00 H new ATOM 210 N ARG A 14 3.466 16.692 -4.567 1.00 0.00 N ATOM 211 CA ARG A 14 2.693 17.696 -3.828 1.00 0.00 C ATOM 212 C ARG A 14 1.168 17.514 -3.940 1.00 0.00 C ATOM 213 O ARG A 14 0.399 18.130 -3.187 1.00 0.00 O ATOM 214 CB ARG A 14 3.111 19.078 -4.288 1.00 0.00 C ATOM 215 CG ARG A 14 2.883 19.332 -5.763 1.00 0.00 C ATOM 216 CD ARG A 14 3.603 20.575 -6.200 1.00 0.00 C ATOM 217 NE ARG A 14 5.060 20.412 -6.102 1.00 0.00 N ATOM 218 CZ ARG A 14 5.952 21.403 -6.131 1.00 0.00 C ATOM 219 NH1 ARG A 14 5.552 22.670 -6.153 1.00 0.00 N ATOM 220 NH2 ARG A 14 7.246 21.118 -6.114 1.00 0.00 N ATOM 0 H ARG A 14 4.032 17.091 -5.316 1.00 0.00 H new ATOM 0 HA ARG A 14 2.918 17.564 -2.770 1.00 0.00 H new ATOM 0 HB2 ARG A 14 2.561 19.823 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 14 4.168 19.219 -4.065 1.00 0.00 H new ATOM 0 HG2 ARG A 14 3.233 18.479 -6.343 1.00 0.00 H new ATOM 0 HG3 ARG A 14 1.816 19.435 -5.960 1.00 0.00 H new ATOM 0 HD2 ARG A 14 3.330 20.813 -7.228 1.00 0.00 H new ATOM 0 HD3 ARG A 14 3.287 21.416 -5.583 1.00 0.00 H new ATOM 0 HE ARG A 14 5.419 19.462 -6.004 1.00 0.00 H new ATOM 0 HH11 ARG A 14 4.556 22.891 -6.148 1.00 0.00 H new ATOM 0 HH12 ARG A 14 6.241 23.422 -6.175 1.00 0.00 H new ATOM 0 HH21 ARG A 14 7.554 20.146 -6.079 1.00 0.00 H new ATOM 0 HH22 ARG A 14 7.934 21.870 -6.136 1.00 0.00 H new ATOM 234 N ASP A 15 0.733 16.674 -4.860 1.00 0.00 N ATOM 235 CA ASP A 15 -0.695 16.396 -5.009 1.00 0.00 C ATOM 236 C ASP A 15 -1.105 15.367 -3.992 1.00 0.00 C ATOM 237 O ASP A 15 -2.264 15.279 -3.613 1.00 0.00 O ATOM 238 CB ASP A 15 -1.032 15.811 -6.385 1.00 0.00 C ATOM 239 CG ASP A 15 -0.693 16.683 -7.546 1.00 0.00 C ATOM 240 OD1 ASP A 15 -1.517 17.518 -7.943 1.00 0.00 O ATOM 241 OD2 ASP A 15 0.391 16.511 -8.117 1.00 0.00 O ATOM 0 H ASP A 15 1.336 16.173 -5.513 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.218 17.343 -4.880 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -0.506 14.863 -6.498 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -2.099 15.590 -6.417 1.00 0.00 H new ATOM 246 N MET A 16 -0.148 14.593 -3.564 1.00 0.00 N ATOM 247 CA MET A 16 -0.374 13.461 -2.707 1.00 0.00 C ATOM 248 C MET A 16 -0.699 13.858 -1.297 1.00 0.00 C ATOM 249 O MET A 16 0.023 14.632 -0.663 1.00 0.00 O ATOM 250 CB MET A 16 0.778 12.446 -2.817 1.00 0.00 C ATOM 251 CG MET A 16 0.736 11.664 -4.106 1.00 0.00 C ATOM 252 SD MET A 16 0.911 12.665 -5.579 1.00 0.00 S ATOM 253 CE MET A 16 0.389 11.468 -6.770 1.00 0.00 C ATOM 0 H MET A 16 0.833 14.734 -3.806 1.00 0.00 H new ATOM 0 HA MET A 16 -1.270 12.951 -3.061 1.00 0.00 H new ATOM 0 HB2 MET A 16 1.730 12.972 -2.746 1.00 0.00 H new ATOM 0 HB3 MET A 16 0.732 11.755 -1.975 1.00 0.00 H new ATOM 0 HG2 MET A 16 1.531 10.918 -4.091 1.00 0.00 H new ATOM 0 HG3 MET A 16 -0.209 11.123 -4.159 1.00 0.00 H new ATOM 0 HE1 MET A 16 0.428 11.906 -7.767 1.00 0.00 H new ATOM 0 HE2 MET A 16 1.049 10.601 -6.728 1.00 0.00 H new ATOM 0 HE3 MET A 16 -0.632 11.157 -6.550 1.00 0.00 H new ATOM 263 N LYS A 17 -1.804 13.350 -0.831 1.00 0.00 N ATOM 264 CA LYS A 17 -2.338 13.676 0.464 1.00 0.00 C ATOM 265 C LYS A 17 -2.287 12.455 1.375 1.00 0.00 C ATOM 266 O LYS A 17 -2.239 12.580 2.597 1.00 0.00 O ATOM 267 CB LYS A 17 -3.792 14.147 0.288 1.00 0.00 C ATOM 268 CG LYS A 17 -4.480 14.621 1.557 1.00 0.00 C ATOM 269 CD LYS A 17 -5.896 15.082 1.262 1.00 0.00 C ATOM 270 CE LYS A 17 -6.617 15.499 2.525 1.00 0.00 C ATOM 271 NZ LYS A 17 -7.979 15.994 2.240 1.00 0.00 N ATOM 0 H LYS A 17 -2.373 12.682 -1.351 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.745 14.468 0.922 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.808 14.959 -0.439 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.373 13.328 -0.136 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -4.501 13.813 2.288 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.912 15.438 2.001 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -5.870 15.919 0.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -6.448 14.278 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -6.674 14.651 3.208 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -6.045 16.278 3.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -8.441 16.270 3.130 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -7.924 16.818 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -8.532 15.243 1.781 1.00 0.00 H new ATOM 285 N PHE A 18 -2.271 11.284 0.781 1.00 0.00 N ATOM 286 CA PHE A 18 -2.300 10.058 1.539 1.00 0.00 C ATOM 287 C PHE A 18 -1.206 9.129 1.065 1.00 0.00 C ATOM 288 O PHE A 18 -0.829 9.147 -0.115 1.00 0.00 O ATOM 289 CB PHE A 18 -3.646 9.324 1.337 1.00 0.00 C ATOM 290 CG PHE A 18 -4.889 10.095 1.700 1.00 0.00 C ATOM 291 CD1 PHE A 18 -5.522 10.896 0.761 1.00 0.00 C ATOM 292 CD2 PHE A 18 -5.438 9.998 2.967 1.00 0.00 C ATOM 293 CE1 PHE A 18 -6.674 11.583 1.076 1.00 0.00 C ATOM 294 CE2 PHE A 18 -6.591 10.690 3.291 1.00 0.00 C ATOM 295 CZ PHE A 18 -7.210 11.482 2.345 1.00 0.00 C ATOM 0 H PHE A 18 -2.238 11.156 -0.230 1.00 0.00 H new ATOM 0 HA PHE A 18 -2.163 10.317 2.589 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -3.720 9.028 0.291 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.628 8.408 1.927 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.106 10.982 -0.232 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -4.961 9.376 3.710 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -7.157 12.199 0.332 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -7.007 10.611 4.284 1.00 0.00 H new ATOM 0 HZ PHE A 18 -8.111 12.021 2.596 1.00 0.00 H new ATOM 305 N CYS A 19 -0.698 8.349 1.953 1.00 0.00 N ATOM 306 CA CYS A 19 0.177 7.278 1.598 1.00 0.00 C ATOM 307 C CYS A 19 -0.734 6.071 1.533 1.00 0.00 C ATOM 308 O CYS A 19 -1.683 5.982 2.338 1.00 0.00 O ATOM 309 CB CYS A 19 1.223 7.009 2.685 1.00 0.00 C ATOM 310 SG CYS A 19 2.052 8.468 3.408 1.00 0.00 S ATOM 0 H CYS A 19 -0.876 8.433 2.954 1.00 0.00 H new ATOM 0 HA CYS A 19 0.713 7.503 0.676 1.00 0.00 H new ATOM 0 HB2 CYS A 19 0.741 6.458 3.492 1.00 0.00 H new ATOM 0 HB3 CYS A 19 1.989 6.356 2.266 1.00 0.00 H new ATOM 315 N TYR A 20 -0.528 5.179 0.618 1.00 0.00 N ATOM 316 CA TYR A 20 -1.385 4.033 0.577 1.00 0.00 C ATOM 317 C TYR A 20 -0.606 2.767 0.676 1.00 0.00 C ATOM 318 O TYR A 20 0.585 2.732 0.357 1.00 0.00 O ATOM 319 CB TYR A 20 -2.331 4.009 -0.651 1.00 0.00 C ATOM 320 CG TYR A 20 -1.691 3.802 -2.022 1.00 0.00 C ATOM 321 CD1 TYR A 20 -1.468 2.517 -2.533 1.00 0.00 C ATOM 322 CD2 TYR A 20 -1.362 4.876 -2.818 1.00 0.00 C ATOM 323 CE1 TYR A 20 -0.929 2.329 -3.786 1.00 0.00 C ATOM 324 CE2 TYR A 20 -0.830 4.696 -4.077 1.00 0.00 C ATOM 325 CZ TYR A 20 -0.615 3.426 -4.553 1.00 0.00 C ATOM 326 OH TYR A 20 -0.096 3.255 -5.801 1.00 0.00 O ATOM 0 H TYR A 20 0.203 5.215 -0.093 1.00 0.00 H new ATOM 0 HA TYR A 20 -2.028 4.114 1.453 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -3.064 3.217 -0.497 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -2.880 4.951 -0.673 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -1.724 1.657 -1.932 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -1.524 5.878 -2.449 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.755 1.332 -4.162 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -0.583 5.552 -4.688 1.00 0.00 H new ATOM 0 HH TYR A 20 0.069 4.130 -6.210 1.00 0.00 H new ATOM 336 N HIS A 21 -1.260 1.764 1.153 1.00 0.00 N ATOM 337 CA HIS A 21 -0.741 0.438 1.222 1.00 0.00 C ATOM 338 C HIS A 21 -1.787 -0.494 0.671 1.00 0.00 C ATOM 339 O HIS A 21 -2.833 -0.705 1.284 1.00 0.00 O ATOM 340 CB HIS A 21 -0.359 0.056 2.680 1.00 0.00 C ATOM 341 CG HIS A 21 0.126 -1.378 2.882 1.00 0.00 C ATOM 342 ND1 HIS A 21 0.092 -2.025 4.093 1.00 0.00 N ATOM 343 CD2 HIS A 21 0.678 -2.269 2.006 1.00 0.00 C ATOM 344 CE1 HIS A 21 0.602 -3.251 3.933 1.00 0.00 C ATOM 345 NE2 HIS A 21 0.975 -3.451 2.679 1.00 0.00 N ATOM 0 H HIS A 21 -2.208 1.847 1.520 1.00 0.00 H new ATOM 0 HA HIS A 21 0.174 0.365 0.633 1.00 0.00 H new ATOM 0 HB2 HIS A 21 0.421 0.736 3.022 1.00 0.00 H new ATOM 0 HB3 HIS A 21 -1.227 0.220 3.319 1.00 0.00 H new ATOM 0 HD2 HIS A 21 0.856 -2.085 0.957 1.00 0.00 H new ATOM 0 HE1 HIS A 21 0.697 -3.981 4.723 1.00 0.00 H new ATOM 0 HE2 HIS A 21 1.393 -4.295 2.287 1.00 0.00 H new ATOM 353 N ASN A 22 -1.545 -0.972 -0.501 1.00 0.00 N ATOM 354 CA ASN A 22 -2.409 -1.935 -1.101 1.00 0.00 C ATOM 355 C ASN A 22 -1.805 -3.280 -0.841 1.00 0.00 C ATOM 356 O ASN A 22 -0.581 -3.462 -1.005 1.00 0.00 O ATOM 357 CB ASN A 22 -2.570 -1.697 -2.606 1.00 0.00 C ATOM 358 CG ASN A 22 -3.512 -2.702 -3.244 1.00 0.00 C ATOM 359 OD1 ASN A 22 -3.101 -3.782 -3.682 1.00 0.00 O ATOM 360 ND2 ASN A 22 -4.762 -2.353 -3.327 1.00 0.00 N ATOM 0 H ASN A 22 -0.743 -0.707 -1.073 1.00 0.00 H new ATOM 0 HA ASN A 22 -3.408 -1.860 -0.672 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.947 -0.689 -2.775 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -1.595 -1.757 -3.089 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -5.438 -2.979 -3.765 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -5.066 -1.453 -2.955 1.00 0.00 H new ATOM 367 N THR A 23 -2.608 -4.190 -0.415 1.00 0.00 N ATOM 368 CA THR A 23 -2.139 -5.473 -0.034 1.00 0.00 C ATOM 369 C THR A 23 -3.286 -6.473 -0.193 1.00 0.00 C ATOM 370 O THR A 23 -4.266 -6.186 -0.872 1.00 0.00 O ATOM 371 CB THR A 23 -1.613 -5.412 1.449 1.00 0.00 C ATOM 372 OG1 THR A 23 -1.041 -6.674 1.870 1.00 0.00 O ATOM 373 CG2 THR A 23 -2.717 -4.985 2.422 1.00 0.00 C ATOM 0 H THR A 23 -3.616 -4.063 -0.321 1.00 0.00 H new ATOM 0 HA THR A 23 -1.311 -5.795 -0.666 1.00 0.00 H new ATOM 0 HB THR A 23 -0.826 -4.658 1.468 1.00 0.00 H new ATOM 0 HG1 THR A 23 -0.724 -6.597 2.794 1.00 0.00 H new ATOM 0 HG21 THR A 23 -2.317 -4.954 3.435 1.00 0.00 H new ATOM 0 HG22 THR A 23 -3.083 -3.996 2.146 1.00 0.00 H new ATOM 0 HG23 THR A 23 -3.538 -5.701 2.378 1.00 0.00 H new ATOM 381 N GLY A 24 -3.144 -7.616 0.394 1.00 0.00 N ATOM 382 CA GLY A 24 -4.152 -8.619 0.358 1.00 0.00 C ATOM 383 C GLY A 24 -3.873 -9.617 1.409 1.00 0.00 C ATOM 384 O GLY A 24 -4.507 -9.644 2.462 1.00 0.00 O ATOM 0 H GLY A 24 -2.311 -7.881 0.920 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -5.134 -8.172 0.514 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -4.172 -9.098 -0.621 1.00 0.00 H new ATOM 388 N MET A 25 -2.922 -10.417 1.130 1.00 0.00 N ATOM 389 CA MET A 25 -2.417 -11.407 2.028 1.00 0.00 C ATOM 390 C MET A 25 -0.910 -11.375 1.915 1.00 0.00 C ATOM 391 O MET A 25 -0.395 -10.863 0.922 1.00 0.00 O ATOM 392 CB MET A 25 -2.928 -12.807 1.647 1.00 0.00 C ATOM 393 CG MET A 25 -4.436 -12.989 1.730 1.00 0.00 C ATOM 394 SD MET A 25 -4.963 -14.689 1.407 1.00 0.00 S ATOM 395 CE MET A 25 -4.271 -15.536 2.832 1.00 0.00 C ATOM 0 H MET A 25 -2.443 -10.409 0.230 1.00 0.00 H new ATOM 0 HA MET A 25 -2.750 -11.197 3.045 1.00 0.00 H new ATOM 0 HB2 MET A 25 -2.606 -13.030 0.630 1.00 0.00 H new ATOM 0 HB3 MET A 25 -2.453 -13.540 2.299 1.00 0.00 H new ATOM 0 HG2 MET A 25 -4.778 -12.691 2.721 1.00 0.00 H new ATOM 0 HG3 MET A 25 -4.917 -12.323 1.013 1.00 0.00 H new ATOM 0 HE1 MET A 25 -4.786 -16.486 2.976 1.00 0.00 H new ATOM 0 HE2 MET A 25 -3.210 -15.720 2.666 1.00 0.00 H new ATOM 0 HE3 MET A 25 -4.397 -14.917 3.720 1.00 0.00 H new ATOM 405 N PRO A 26 -0.179 -11.845 2.924 1.00 0.00 N ATOM 406 CA PRO A 26 1.260 -11.962 2.837 1.00 0.00 C ATOM 407 C PRO A 26 1.621 -13.173 1.995 1.00 0.00 C ATOM 408 O PRO A 26 0.927 -14.206 2.029 1.00 0.00 O ATOM 409 CB PRO A 26 1.682 -12.178 4.284 1.00 0.00 C ATOM 410 CG PRO A 26 0.528 -12.889 4.875 1.00 0.00 C ATOM 411 CD PRO A 26 -0.677 -12.277 4.239 1.00 0.00 C ATOM 0 HA PRO A 26 1.743 -11.099 2.379 1.00 0.00 H new ATOM 0 HB2 PRO A 26 2.596 -12.769 4.352 1.00 0.00 H new ATOM 0 HB3 PRO A 26 1.875 -11.233 4.792 1.00 0.00 H new ATOM 0 HG2 PRO A 26 0.579 -13.959 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.505 -12.770 5.958 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.492 -12.995 4.145 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.057 -11.438 4.821 1.00 0.00 H new ATOM 419 N PHE A 27 2.651 -13.061 1.242 1.00 0.00 N ATOM 420 CA PHE A 27 3.059 -14.142 0.385 1.00 0.00 C ATOM 421 C PHE A 27 4.416 -14.688 0.761 1.00 0.00 C ATOM 422 O PHE A 27 5.323 -13.942 1.158 1.00 0.00 O ATOM 423 CB PHE A 27 2.988 -13.750 -1.088 1.00 0.00 C ATOM 424 CG PHE A 27 1.586 -13.599 -1.609 1.00 0.00 C ATOM 425 CD1 PHE A 27 0.911 -12.404 -1.493 1.00 0.00 C ATOM 426 CD2 PHE A 27 0.947 -14.662 -2.217 1.00 0.00 C ATOM 427 CE1 PHE A 27 -0.375 -12.269 -1.971 1.00 0.00 C ATOM 428 CE2 PHE A 27 -0.337 -14.535 -2.695 1.00 0.00 C ATOM 429 CZ PHE A 27 -1.000 -13.337 -2.571 1.00 0.00 C ATOM 0 H PHE A 27 3.240 -12.230 1.192 1.00 0.00 H new ATOM 0 HA PHE A 27 2.346 -14.953 0.536 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.522 -12.810 -1.230 1.00 0.00 H new ATOM 0 HB3 PHE A 27 3.506 -14.504 -1.680 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.395 -11.562 -1.021 1.00 0.00 H new ATOM 0 HD2 PHE A 27 1.462 -15.606 -2.319 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.891 -11.325 -1.874 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -0.824 -15.376 -3.167 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.009 -13.235 -2.944 1.00 0.00 H new ATOM 439 N ARG A 28 4.539 -15.988 0.634 1.00 0.00 N ATOM 440 CA ARG A 28 5.729 -16.729 0.986 1.00 0.00 C ATOM 441 C ARG A 28 6.892 -16.361 0.083 1.00 0.00 C ATOM 442 O ARG A 28 6.931 -16.750 -1.093 1.00 0.00 O ATOM 443 CB ARG A 28 5.433 -18.224 0.911 1.00 0.00 C ATOM 444 CG ARG A 28 4.446 -18.696 1.964 1.00 0.00 C ATOM 445 CD ARG A 28 3.961 -20.106 1.693 1.00 0.00 C ATOM 446 NE ARG A 28 3.086 -20.161 0.511 1.00 0.00 N ATOM 447 CZ ARG A 28 2.829 -21.256 -0.213 1.00 0.00 C ATOM 448 NH1 ARG A 28 3.433 -22.409 0.073 1.00 0.00 N ATOM 449 NH2 ARG A 28 1.959 -21.196 -1.217 1.00 0.00 N ATOM 0 H ARG A 28 3.791 -16.579 0.271 1.00 0.00 H new ATOM 0 HA ARG A 28 6.017 -16.471 2.005 1.00 0.00 H new ATOM 0 HB2 ARG A 28 5.039 -18.460 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 28 6.365 -18.778 1.023 1.00 0.00 H new ATOM 0 HG2 ARG A 28 4.917 -18.657 2.946 1.00 0.00 H new ATOM 0 HG3 ARG A 28 3.593 -18.018 1.992 1.00 0.00 H new ATOM 0 HD2 ARG A 28 4.817 -20.763 1.543 1.00 0.00 H new ATOM 0 HD3 ARG A 28 3.421 -20.479 2.563 1.00 0.00 H new ATOM 0 HE ARG A 28 2.638 -19.292 0.220 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.095 -22.460 0.847 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.233 -23.241 -0.482 1.00 0.00 H new ATOM 0 HH21 ARG A 28 1.490 -20.317 -1.433 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.761 -22.029 -1.771 1.00 0.00 H new ATOM 463 N ASN A 29 7.812 -15.575 0.634 1.00 0.00 N ATOM 464 CA ASN A 29 9.014 -15.092 -0.054 1.00 0.00 C ATOM 465 C ASN A 29 8.670 -14.059 -1.098 1.00 0.00 C ATOM 466 O ASN A 29 9.458 -13.767 -2.003 1.00 0.00 O ATOM 467 CB ASN A 29 9.838 -16.231 -0.656 1.00 0.00 C ATOM 468 CG ASN A 29 10.450 -17.135 0.387 1.00 0.00 C ATOM 469 OD1 ASN A 29 10.773 -16.704 1.496 1.00 0.00 O ATOM 470 ND2 ASN A 29 10.614 -18.382 0.054 1.00 0.00 N ATOM 0 H ASN A 29 7.744 -15.245 1.597 1.00 0.00 H new ATOM 0 HA ASN A 29 9.638 -14.615 0.702 1.00 0.00 H new ATOM 0 HB2 ASN A 29 9.202 -16.823 -1.314 1.00 0.00 H new ATOM 0 HB3 ASN A 29 10.631 -15.810 -1.274 1.00 0.00 H new ATOM 0 HD21 ASN A 29 11.022 -19.038 0.720 1.00 0.00 H new ATOM 0 HD22 ASN A 29 10.335 -18.703 -0.873 1.00 0.00 H new ATOM 477 N LEU A 30 7.513 -13.488 -0.964 1.00 0.00 N ATOM 478 CA LEU A 30 7.091 -12.443 -1.829 1.00 0.00 C ATOM 479 C LEU A 30 6.671 -11.271 -0.986 1.00 0.00 C ATOM 480 O LEU A 30 5.640 -11.311 -0.306 1.00 0.00 O ATOM 481 CB LEU A 30 5.955 -12.900 -2.756 1.00 0.00 C ATOM 482 CG LEU A 30 5.350 -11.827 -3.682 1.00 0.00 C ATOM 483 CD1 LEU A 30 6.384 -11.299 -4.663 1.00 0.00 C ATOM 484 CD2 LEU A 30 4.140 -12.374 -4.421 1.00 0.00 C ATOM 0 H LEU A 30 6.834 -13.739 -0.245 1.00 0.00 H new ATOM 0 HA LEU A 30 7.918 -12.153 -2.477 1.00 0.00 H new ATOM 0 HB2 LEU A 30 6.328 -13.715 -3.376 1.00 0.00 H new ATOM 0 HB3 LEU A 30 5.155 -13.309 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 30 5.025 -10.994 -3.058 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.927 -10.544 -5.302 1.00 0.00 H new ATOM 0 HD12 LEU A 30 7.214 -10.855 -4.113 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.754 -12.119 -5.278 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.729 -11.600 -5.069 1.00 0.00 H new ATOM 0 HD22 LEU A 30 4.439 -13.231 -5.024 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.383 -12.684 -3.700 1.00 0.00 H new ATOM 496 N LYS A 31 7.509 -10.276 -0.960 1.00 0.00 N ATOM 497 CA LYS A 31 7.229 -9.075 -0.243 1.00 0.00 C ATOM 498 C LYS A 31 6.336 -8.209 -1.120 1.00 0.00 C ATOM 499 O LYS A 31 6.825 -7.483 -1.995 1.00 0.00 O ATOM 500 CB LYS A 31 8.547 -8.353 0.097 1.00 0.00 C ATOM 501 CG LYS A 31 8.408 -7.112 0.966 1.00 0.00 C ATOM 502 CD LYS A 31 7.905 -7.467 2.348 1.00 0.00 C ATOM 503 CE LYS A 31 7.779 -6.242 3.229 1.00 0.00 C ATOM 504 NZ LYS A 31 7.357 -6.593 4.597 1.00 0.00 N ATOM 0 H LYS A 31 8.409 -10.279 -1.439 1.00 0.00 H new ATOM 0 HA LYS A 31 6.720 -9.289 0.697 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.207 -9.058 0.603 1.00 0.00 H new ATOM 0 HB3 LYS A 31 9.037 -8.070 -0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.372 -6.610 1.045 1.00 0.00 H new ATOM 0 HG3 LYS A 31 7.720 -6.410 0.495 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.936 -7.959 2.267 1.00 0.00 H new ATOM 0 HD3 LYS A 31 8.587 -8.180 2.811 1.00 0.00 H new ATOM 0 HE2 LYS A 31 8.736 -5.721 3.266 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.057 -5.552 2.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.282 -5.728 5.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 6.432 -7.068 4.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 8.059 -7.231 5.024 1.00 0.00 H new ATOM 518 N LEU A 32 5.042 -8.350 -0.944 1.00 0.00 N ATOM 519 CA LEU A 32 4.091 -7.629 -1.742 1.00 0.00 C ATOM 520 C LEU A 32 3.909 -6.249 -1.165 1.00 0.00 C ATOM 521 O LEU A 32 3.329 -6.071 -0.084 1.00 0.00 O ATOM 522 CB LEU A 32 2.758 -8.427 -1.838 1.00 0.00 C ATOM 523 CG LEU A 32 1.617 -7.858 -2.724 1.00 0.00 C ATOM 524 CD1 LEU A 32 0.650 -8.964 -3.062 1.00 0.00 C ATOM 525 CD2 LEU A 32 0.845 -6.753 -2.006 1.00 0.00 C ATOM 0 H LEU A 32 4.626 -8.966 -0.246 1.00 0.00 H new ATOM 0 HA LEU A 32 4.457 -7.514 -2.762 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.995 -9.426 -2.204 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.367 -8.542 -0.827 1.00 0.00 H new ATOM 0 HG LEU A 32 2.071 -7.443 -3.624 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.153 -8.568 -3.684 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.173 -9.752 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.229 -9.373 -2.143 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.055 -6.379 -2.657 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.404 -7.152 -1.092 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.524 -5.938 -1.756 1.00 0.00 H new ATOM 537 N ILE A 33 4.464 -5.287 -1.844 1.00 0.00 N ATOM 538 CA ILE A 33 4.373 -3.922 -1.439 1.00 0.00 C ATOM 539 C ILE A 33 3.788 -3.045 -2.531 1.00 0.00 C ATOM 540 O ILE A 33 4.469 -2.656 -3.481 1.00 0.00 O ATOM 541 CB ILE A 33 5.745 -3.371 -0.890 1.00 0.00 C ATOM 542 CG1 ILE A 33 6.058 -3.992 0.484 1.00 0.00 C ATOM 543 CG2 ILE A 33 5.802 -1.841 -0.816 1.00 0.00 C ATOM 544 CD1 ILE A 33 4.998 -3.713 1.549 1.00 0.00 C ATOM 0 H ILE A 33 4.996 -5.434 -2.702 1.00 0.00 H new ATOM 0 HA ILE A 33 3.674 -3.884 -0.604 1.00 0.00 H new ATOM 0 HB ILE A 33 6.509 -3.669 -1.609 1.00 0.00 H new ATOM 0 HG12 ILE A 33 6.166 -5.070 0.368 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.018 -3.611 0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.773 -1.531 -0.430 1.00 0.00 H new ATOM 0 HG22 ILE A 33 5.657 -1.423 -1.812 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.016 -1.479 -0.153 1.00 0.00 H new ATOM 0 HD11 ILE A 33 5.292 -4.184 2.487 1.00 0.00 H new ATOM 0 HD12 ILE A 33 4.905 -2.637 1.697 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.040 -4.119 1.224 1.00 0.00 H new ATOM 556 N LEU A 34 2.506 -2.801 -2.439 1.00 0.00 N ATOM 557 CA LEU A 34 1.875 -1.823 -3.281 1.00 0.00 C ATOM 558 C LEU A 34 1.599 -0.605 -2.455 1.00 0.00 C ATOM 559 O LEU A 34 0.461 -0.231 -2.206 1.00 0.00 O ATOM 560 CB LEU A 34 0.600 -2.308 -3.981 1.00 0.00 C ATOM 561 CG LEU A 34 0.749 -3.161 -5.244 1.00 0.00 C ATOM 562 CD1 LEU A 34 1.324 -4.536 -4.954 1.00 0.00 C ATOM 563 CD2 LEU A 34 -0.589 -3.255 -5.952 1.00 0.00 C ATOM 0 H LEU A 34 1.878 -3.269 -1.786 1.00 0.00 H new ATOM 0 HA LEU A 34 2.565 -1.603 -4.096 1.00 0.00 H new ATOM 0 HB2 LEU A 34 0.021 -2.882 -3.258 1.00 0.00 H new ATOM 0 HB3 LEU A 34 0.008 -1.430 -4.240 1.00 0.00 H new ATOM 0 HG LEU A 34 1.467 -2.670 -5.900 1.00 0.00 H new ATOM 0 HD11 LEU A 34 1.408 -5.099 -5.884 1.00 0.00 H new ATOM 0 HD12 LEU A 34 2.311 -4.430 -4.503 1.00 0.00 H new ATOM 0 HD13 LEU A 34 0.666 -5.068 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.483 -3.862 -6.851 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.321 -3.715 -5.288 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -0.926 -2.256 -6.227 1.00 0.00 H new ATOM 575 N GLN A 35 2.645 -0.049 -1.956 1.00 0.00 N ATOM 576 CA GLN A 35 2.566 1.108 -1.137 1.00 0.00 C ATOM 577 C GLN A 35 2.974 2.280 -1.948 1.00 0.00 C ATOM 578 O GLN A 35 4.020 2.266 -2.561 1.00 0.00 O ATOM 579 CB GLN A 35 3.464 0.987 0.080 1.00 0.00 C ATOM 580 CG GLN A 35 3.106 -0.141 1.015 1.00 0.00 C ATOM 581 CD GLN A 35 3.983 -0.193 2.251 1.00 0.00 C ATOM 582 OE1 GLN A 35 3.551 -0.643 3.308 1.00 0.00 O ATOM 583 NE2 GLN A 35 5.203 0.276 2.146 1.00 0.00 N ATOM 0 H GLN A 35 3.594 -0.390 -2.107 1.00 0.00 H new ATOM 0 HA GLN A 35 1.543 1.223 -0.780 1.00 0.00 H new ATOM 0 HB2 GLN A 35 4.492 0.851 -0.256 1.00 0.00 H new ATOM 0 HB3 GLN A 35 3.431 1.925 0.634 1.00 0.00 H new ATOM 0 HG2 GLN A 35 2.065 -0.035 1.320 1.00 0.00 H new ATOM 0 HG3 GLN A 35 3.187 -1.087 0.480 1.00 0.00 H new ATOM 0 HE21 GLN A 35 5.533 0.643 1.254 1.00 0.00 H new ATOM 0 HE22 GLN A 35 5.822 0.273 2.957 1.00 0.00 H new ATOM 592 N GLY A 36 2.169 3.255 -1.987 1.00 0.00 N ATOM 593 CA GLY A 36 2.485 4.393 -2.761 1.00 0.00 C ATOM 594 C GLY A 36 1.996 5.627 -2.120 1.00 0.00 C ATOM 595 O GLY A 36 1.732 5.648 -0.914 1.00 0.00 O ATOM 0 H GLY A 36 1.278 3.297 -1.492 1.00 0.00 H new ATOM 0 HA2 GLY A 36 3.565 4.455 -2.898 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.043 4.296 -3.753 1.00 0.00 H new ATOM 599 N CYS A 37 1.835 6.629 -2.902 1.00 0.00 N ATOM 600 CA CYS A 37 1.338 7.877 -2.444 1.00 0.00 C ATOM 601 C CYS A 37 0.192 8.248 -3.354 1.00 0.00 C ATOM 602 O CYS A 37 0.301 8.098 -4.579 1.00 0.00 O ATOM 603 CB CYS A 37 2.428 8.932 -2.530 1.00 0.00 C ATOM 604 SG CYS A 37 4.030 8.450 -1.802 1.00 0.00 S ATOM 0 H CYS A 37 2.049 6.607 -3.899 1.00 0.00 H new ATOM 0 HA CYS A 37 1.012 7.813 -1.406 1.00 0.00 H new ATOM 0 HB2 CYS A 37 2.585 9.186 -3.578 1.00 0.00 H new ATOM 0 HB3 CYS A 37 2.077 9.836 -2.032 1.00 0.00 H new ATOM 609 N SER A 38 -0.896 8.686 -2.795 1.00 0.00 N ATOM 610 CA SER A 38 -2.043 9.027 -3.583 1.00 0.00 C ATOM 611 C SER A 38 -2.607 10.370 -3.139 1.00 0.00 C ATOM 612 O SER A 38 -2.359 10.834 -2.013 1.00 0.00 O ATOM 613 CB SER A 38 -3.102 7.920 -3.493 1.00 0.00 C ATOM 614 OG SER A 38 -4.184 8.164 -4.371 1.00 0.00 O ATOM 0 H SER A 38 -1.014 8.816 -1.790 1.00 0.00 H new ATOM 0 HA SER A 38 -1.742 9.117 -4.627 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.647 6.959 -3.733 1.00 0.00 H new ATOM 0 HB3 SER A 38 -3.471 7.851 -2.470 1.00 0.00 H new ATOM 0 HG SER A 38 -5.017 8.214 -3.857 1.00 0.00 H new ATOM 620 N SER A 39 -3.321 11.000 -4.020 1.00 0.00 N ATOM 621 CA SER A 39 -3.920 12.279 -3.768 1.00 0.00 C ATOM 622 C SER A 39 -5.299 12.122 -3.133 1.00 0.00 C ATOM 623 O SER A 39 -5.828 13.053 -2.536 1.00 0.00 O ATOM 624 CB SER A 39 -4.009 13.022 -5.083 1.00 0.00 C ATOM 625 OG SER A 39 -2.720 13.097 -5.677 1.00 0.00 O ATOM 0 H SER A 39 -3.509 10.634 -4.953 1.00 0.00 H new ATOM 0 HA SER A 39 -3.309 12.843 -3.063 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.700 12.512 -5.754 1.00 0.00 H new ATOM 0 HB3 SER A 39 -4.404 14.025 -4.920 1.00 0.00 H new ATOM 0 HG SER A 39 -2.802 13.432 -6.594 1.00 0.00 H new ATOM 631 N SER A 40 -5.842 10.934 -3.214 1.00 0.00 N ATOM 632 CA SER A 40 -7.146 10.672 -2.694 1.00 0.00 C ATOM 633 C SER A 40 -7.129 9.293 -2.061 1.00 0.00 C ATOM 634 O SER A 40 -6.119 8.584 -2.139 1.00 0.00 O ATOM 635 CB SER A 40 -8.176 10.760 -3.840 1.00 0.00 C ATOM 636 OG SER A 40 -9.526 10.622 -3.388 1.00 0.00 O ATOM 0 H SER A 40 -5.388 10.127 -3.643 1.00 0.00 H new ATOM 0 HA SER A 40 -7.428 11.405 -1.938 1.00 0.00 H new ATOM 0 HB2 SER A 40 -8.065 11.718 -4.349 1.00 0.00 H new ATOM 0 HB3 SER A 40 -7.963 9.983 -4.574 1.00 0.00 H new ATOM 0 HG SER A 40 -10.135 10.687 -4.153 1.00 0.00 H new ATOM 642 N CYS A 41 -8.197 8.915 -1.425 1.00 0.00 N ATOM 643 CA CYS A 41 -8.272 7.621 -0.828 1.00 0.00 C ATOM 644 C CYS A 41 -9.323 6.796 -1.538 1.00 0.00 C ATOM 645 O CYS A 41 -10.296 7.338 -2.071 1.00 0.00 O ATOM 646 CB CYS A 41 -8.578 7.720 0.669 1.00 0.00 C ATOM 647 SG CYS A 41 -8.702 6.102 1.507 1.00 0.00 S ATOM 0 H CYS A 41 -9.031 9.490 -1.307 1.00 0.00 H new ATOM 0 HA CYS A 41 -7.304 7.131 -0.932 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -7.798 8.309 1.151 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -9.515 8.261 0.803 1.00 0.00 H new ATOM 652 N SER A 42 -9.105 5.507 -1.577 1.00 0.00 N ATOM 653 CA SER A 42 -10.020 4.575 -2.174 1.00 0.00 C ATOM 654 C SER A 42 -10.971 4.072 -1.087 1.00 0.00 C ATOM 655 O SER A 42 -10.658 4.180 0.108 1.00 0.00 O ATOM 656 CB SER A 42 -9.231 3.417 -2.794 1.00 0.00 C ATOM 657 OG SER A 42 -10.084 2.479 -3.422 1.00 0.00 O ATOM 0 H SER A 42 -8.270 5.070 -1.187 1.00 0.00 H new ATOM 0 HA SER A 42 -10.600 5.052 -2.964 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.522 3.809 -3.523 1.00 0.00 H new ATOM 0 HB3 SER A 42 -8.649 2.918 -2.020 1.00 0.00 H new ATOM 0 HG SER A 42 -9.553 1.884 -3.992 1.00 0.00 H new ATOM 663 N GLU A 43 -12.099 3.514 -1.474 1.00 0.00 N ATOM 664 CA GLU A 43 -13.092 3.095 -0.503 1.00 0.00 C ATOM 665 C GLU A 43 -12.868 1.652 -0.087 1.00 0.00 C ATOM 666 O GLU A 43 -13.450 1.175 0.892 1.00 0.00 O ATOM 667 CB GLU A 43 -14.513 3.280 -1.041 1.00 0.00 C ATOM 668 CG GLU A 43 -14.811 4.683 -1.540 1.00 0.00 C ATOM 669 CD GLU A 43 -14.477 5.752 -0.528 1.00 0.00 C ATOM 670 OE1 GLU A 43 -15.166 5.866 0.513 1.00 0.00 O ATOM 671 OE2 GLU A 43 -13.495 6.487 -0.741 1.00 0.00 O ATOM 0 H GLU A 43 -12.352 3.340 -2.447 1.00 0.00 H new ATOM 0 HA GLU A 43 -12.979 3.731 0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.676 2.574 -1.856 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -15.223 3.028 -0.254 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -14.245 4.866 -2.454 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -15.867 4.754 -1.800 1.00 0.00 H new ATOM 678 N THR A 44 -12.033 0.964 -0.813 1.00 0.00 N ATOM 679 CA THR A 44 -11.740 -0.399 -0.499 1.00 0.00 C ATOM 680 C THR A 44 -10.733 -0.479 0.650 1.00 0.00 C ATOM 681 O THR A 44 -9.820 0.354 0.759 1.00 0.00 O ATOM 682 CB THR A 44 -11.232 -1.196 -1.744 1.00 0.00 C ATOM 683 OG1 THR A 44 -10.948 -2.551 -1.383 1.00 0.00 O ATOM 684 CG2 THR A 44 -9.982 -0.570 -2.339 1.00 0.00 C ATOM 0 H THR A 44 -11.543 1.330 -1.629 1.00 0.00 H new ATOM 0 HA THR A 44 -12.671 -0.868 -0.182 1.00 0.00 H new ATOM 0 HB THR A 44 -12.024 -1.167 -2.492 1.00 0.00 H new ATOM 0 HG1 THR A 44 -10.632 -3.040 -2.171 1.00 0.00 H new ATOM 0 HG21 THR A 44 -9.659 -1.152 -3.202 1.00 0.00 H new ATOM 0 HG22 THR A 44 -10.200 0.451 -2.651 1.00 0.00 H new ATOM 0 HG23 THR A 44 -9.189 -0.560 -1.591 1.00 0.00 H new ATOM 692 N GLU A 45 -10.904 -1.476 1.499 1.00 0.00 N ATOM 693 CA GLU A 45 -10.007 -1.711 2.620 1.00 0.00 C ATOM 694 C GLU A 45 -8.785 -2.472 2.154 1.00 0.00 C ATOM 695 O GLU A 45 -7.865 -2.742 2.931 1.00 0.00 O ATOM 696 CB GLU A 45 -10.703 -2.487 3.728 1.00 0.00 C ATOM 697 CG GLU A 45 -11.835 -1.744 4.395 1.00 0.00 C ATOM 698 CD GLU A 45 -12.442 -2.543 5.510 1.00 0.00 C ATOM 699 OE1 GLU A 45 -11.942 -2.476 6.651 1.00 0.00 O ATOM 700 OE2 GLU A 45 -13.428 -3.271 5.260 1.00 0.00 O ATOM 0 H GLU A 45 -11.669 -2.147 1.432 1.00 0.00 H new ATOM 0 HA GLU A 45 -9.704 -0.743 3.018 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.090 -3.418 3.315 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.966 -2.756 4.485 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -11.467 -0.795 4.786 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -12.601 -1.509 3.656 1.00 0.00 H new ATOM 707 N ASN A 46 -8.792 -2.819 0.882 1.00 0.00 N ATOM 708 CA ASN A 46 -7.682 -3.497 0.252 1.00 0.00 C ATOM 709 C ASN A 46 -6.571 -2.473 -0.021 1.00 0.00 C ATOM 710 O ASN A 46 -5.401 -2.818 -0.213 1.00 0.00 O ATOM 711 CB ASN A 46 -8.185 -4.181 -1.032 1.00 0.00 C ATOM 712 CG ASN A 46 -7.158 -5.044 -1.721 1.00 0.00 C ATOM 713 OD1 ASN A 46 -6.456 -4.601 -2.628 1.00 0.00 O ATOM 714 ND2 ASN A 46 -7.075 -6.290 -1.314 1.00 0.00 N ATOM 0 H ASN A 46 -9.575 -2.636 0.254 1.00 0.00 H new ATOM 0 HA ASN A 46 -7.266 -4.271 0.897 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -9.052 -4.795 -0.787 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -8.524 -3.414 -1.729 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -6.411 -6.927 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -7.675 -6.621 -0.558 1.00 0.00 H new ATOM 721 N ASN A 47 -6.957 -1.200 0.014 1.00 0.00 N ATOM 722 CA ASN A 47 -6.054 -0.104 -0.132 1.00 0.00 C ATOM 723 C ASN A 47 -6.153 0.743 1.118 1.00 0.00 C ATOM 724 O ASN A 47 -7.146 1.457 1.328 1.00 0.00 O ATOM 725 CB ASN A 47 -6.415 0.719 -1.360 1.00 0.00 C ATOM 726 CG ASN A 47 -5.503 1.909 -1.579 1.00 0.00 C ATOM 727 OD1 ASN A 47 -4.515 1.821 -2.289 1.00 0.00 O ATOM 728 ND2 ASN A 47 -5.820 3.017 -0.964 1.00 0.00 N ATOM 0 H ASN A 47 -7.927 -0.915 0.148 1.00 0.00 H new ATOM 0 HA ASN A 47 -5.035 -0.467 -0.264 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -6.380 0.078 -2.241 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -7.442 1.071 -1.263 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -5.234 3.845 -1.070 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -6.654 3.054 -0.378 1.00 0.00 H new ATOM 735 N LYS A 48 -5.174 0.631 1.945 1.00 0.00 N ATOM 736 CA LYS A 48 -5.132 1.334 3.212 1.00 0.00 C ATOM 737 C LYS A 48 -4.578 2.731 2.995 1.00 0.00 C ATOM 738 O LYS A 48 -3.505 2.881 2.419 1.00 0.00 O ATOM 739 CB LYS A 48 -4.241 0.567 4.197 1.00 0.00 C ATOM 740 CG LYS A 48 -4.649 -0.893 4.394 1.00 0.00 C ATOM 741 CD LYS A 48 -3.703 -1.635 5.336 1.00 0.00 C ATOM 742 CE LYS A 48 -3.760 -1.080 6.753 1.00 0.00 C ATOM 743 NZ LYS A 48 -2.824 -1.773 7.664 1.00 0.00 N ATOM 0 H LYS A 48 -4.359 0.043 1.772 1.00 0.00 H new ATOM 0 HA LYS A 48 -6.139 1.405 3.624 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -3.211 0.601 3.842 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -4.263 1.074 5.162 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.662 -0.934 4.793 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.666 -1.397 3.428 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -3.962 -2.694 5.350 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -2.683 -1.561 4.958 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -3.524 -0.016 6.734 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -4.775 -1.175 7.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -2.898 -1.362 8.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.063 -2.784 7.704 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -1.851 -1.661 7.313 1.00 0.00 H new ATOM 757 N CYS A 49 -5.304 3.737 3.418 1.00 0.00 N ATOM 758 CA CYS A 49 -4.864 5.109 3.242 1.00 0.00 C ATOM 759 C CYS A 49 -4.512 5.705 4.587 1.00 0.00 C ATOM 760 O CYS A 49 -5.249 5.525 5.568 1.00 0.00 O ATOM 761 CB CYS A 49 -5.977 5.966 2.664 1.00 0.00 C ATOM 762 SG CYS A 49 -6.872 5.274 1.248 1.00 0.00 S ATOM 0 H CYS A 49 -6.204 3.636 3.888 1.00 0.00 H new ATOM 0 HA CYS A 49 -4.006 5.095 2.569 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -6.697 6.171 3.456 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -5.551 6.923 2.364 1.00 0.00 H new ATOM 767 N CYS A 50 -3.411 6.373 4.657 1.00 0.00 N ATOM 768 CA CYS A 50 -3.035 7.092 5.842 1.00 0.00 C ATOM 769 C CYS A 50 -2.411 8.425 5.433 1.00 0.00 C ATOM 770 O CYS A 50 -1.754 8.505 4.413 1.00 0.00 O ATOM 771 CB CYS A 50 -2.116 6.232 6.711 1.00 0.00 C ATOM 772 SG CYS A 50 -0.707 5.512 5.827 1.00 0.00 S ATOM 0 H CYS A 50 -2.738 6.440 3.894 1.00 0.00 H new ATOM 0 HA CYS A 50 -3.908 7.314 6.455 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -1.741 6.840 7.534 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -2.703 5.426 7.152 1.00 0.00 H new ATOM 777 N SER A 51 -2.644 9.461 6.185 1.00 0.00 N ATOM 778 CA SER A 51 -2.197 10.783 5.807 1.00 0.00 C ATOM 779 C SER A 51 -1.122 11.346 6.753 1.00 0.00 C ATOM 780 O SER A 51 -1.209 12.488 7.226 1.00 0.00 O ATOM 781 CB SER A 51 -3.419 11.692 5.705 1.00 0.00 C ATOM 782 OG SER A 51 -4.302 11.469 6.810 1.00 0.00 O ATOM 0 H SER A 51 -3.145 9.421 7.073 1.00 0.00 H new ATOM 0 HA SER A 51 -1.704 10.727 4.836 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.104 12.735 5.688 1.00 0.00 H new ATOM 0 HB3 SER A 51 -3.944 11.503 4.768 1.00 0.00 H new ATOM 0 HG SER A 51 -5.080 12.060 6.732 1.00 0.00 H new ATOM 788 N THR A 52 -0.112 10.552 7.017 1.00 0.00 N ATOM 789 CA THR A 52 1.013 10.980 7.819 1.00 0.00 C ATOM 790 C THR A 52 2.243 10.433 7.141 1.00 0.00 C ATOM 791 O THR A 52 2.186 9.357 6.559 1.00 0.00 O ATOM 792 CB THR A 52 0.953 10.403 9.242 1.00 0.00 C ATOM 793 OG1 THR A 52 -0.383 10.496 9.749 1.00 0.00 O ATOM 794 CG2 THR A 52 1.882 11.170 10.183 1.00 0.00 C ATOM 0 H THR A 52 -0.045 9.591 6.683 1.00 0.00 H new ATOM 0 HA THR A 52 1.014 12.067 7.901 1.00 0.00 H new ATOM 0 HB THR A 52 1.270 9.361 9.194 1.00 0.00 H new ATOM 0 HG1 THR A 52 -0.415 10.125 10.656 1.00 0.00 H new ATOM 0 HG21 THR A 52 1.821 10.742 11.184 1.00 0.00 H new ATOM 0 HG22 THR A 52 2.907 11.099 9.820 1.00 0.00 H new ATOM 0 HG23 THR A 52 1.581 12.217 10.217 1.00 0.00 H new ATOM 802 N ASP A 53 3.330 11.129 7.212 1.00 0.00 N ATOM 803 CA ASP A 53 4.521 10.675 6.526 1.00 0.00 C ATOM 804 C ASP A 53 5.028 9.402 7.157 1.00 0.00 C ATOM 805 O ASP A 53 5.002 9.245 8.393 1.00 0.00 O ATOM 806 CB ASP A 53 5.635 11.740 6.449 1.00 0.00 C ATOM 807 CG ASP A 53 6.310 12.059 7.764 1.00 0.00 C ATOM 808 OD1 ASP A 53 7.276 11.361 8.145 1.00 0.00 O ATOM 809 OD2 ASP A 53 5.923 13.053 8.417 1.00 0.00 O ATOM 0 H ASP A 53 3.430 12.004 7.727 1.00 0.00 H new ATOM 0 HA ASP A 53 4.233 10.479 5.493 1.00 0.00 H new ATOM 0 HB2 ASP A 53 6.393 11.400 5.743 1.00 0.00 H new ATOM 0 HB3 ASP A 53 5.211 12.659 6.044 1.00 0.00 H new ATOM 814 N ARG A 54 5.400 8.469 6.300 1.00 0.00 N ATOM 815 CA ARG A 54 5.923 7.186 6.683 1.00 0.00 C ATOM 816 C ARG A 54 4.922 6.327 7.451 1.00 0.00 C ATOM 817 O ARG A 54 5.300 5.360 8.089 1.00 0.00 O ATOM 818 CB ARG A 54 7.250 7.365 7.415 1.00 0.00 C ATOM 819 CG ARG A 54 8.351 7.827 6.484 1.00 0.00 C ATOM 820 CD ARG A 54 9.600 8.251 7.227 1.00 0.00 C ATOM 821 NE ARG A 54 9.419 9.546 7.888 1.00 0.00 N ATOM 822 CZ ARG A 54 10.399 10.304 8.385 1.00 0.00 C ATOM 823 NH1 ARG A 54 11.668 9.885 8.372 1.00 0.00 N ATOM 824 NH2 ARG A 54 10.106 11.486 8.881 1.00 0.00 N ATOM 0 H ARG A 54 5.342 8.595 5.289 1.00 0.00 H new ATOM 0 HA ARG A 54 6.114 6.618 5.773 1.00 0.00 H new ATOM 0 HB2 ARG A 54 7.126 8.091 8.219 1.00 0.00 H new ATOM 0 HB3 ARG A 54 7.539 6.422 7.879 1.00 0.00 H new ATOM 0 HG2 ARG A 54 8.599 7.022 5.793 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.988 8.662 5.884 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.857 7.495 7.969 1.00 0.00 H new ATOM 0 HD3 ARG A 54 10.436 8.311 6.530 1.00 0.00 H new ATOM 0 HE ARG A 54 8.465 9.897 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 54 11.900 8.973 7.978 1.00 0.00 H new ATOM 0 HH12 ARG A 54 12.405 10.477 8.756 1.00 0.00 H new ATOM 0 HH21 ARG A 54 9.140 11.813 8.883 1.00 0.00 H new ATOM 0 HH22 ARG A 54 10.845 12.076 9.264 1.00 0.00 H new ATOM 838 N CYS A 55 3.633 6.644 7.329 1.00 0.00 N ATOM 839 CA CYS A 55 2.593 5.858 7.987 1.00 0.00 C ATOM 840 C CYS A 55 2.488 4.469 7.366 1.00 0.00 C ATOM 841 O CYS A 55 2.113 3.500 8.035 1.00 0.00 O ATOM 842 CB CYS A 55 1.251 6.558 7.879 1.00 0.00 C ATOM 843 SG CYS A 55 0.745 6.860 6.158 1.00 0.00 S ATOM 0 H CYS A 55 3.287 7.434 6.784 1.00 0.00 H new ATOM 0 HA CYS A 55 2.866 5.758 9.038 1.00 0.00 H new ATOM 0 HB2 CYS A 55 0.491 5.954 8.375 1.00 0.00 H new ATOM 0 HB3 CYS A 55 1.299 7.509 8.410 1.00 0.00 H new ATOM 848 N ASN A 56 2.862 4.359 6.102 1.00 0.00 N ATOM 849 CA ASN A 56 2.785 3.103 5.389 1.00 0.00 C ATOM 850 C ASN A 56 4.011 2.225 5.682 1.00 0.00 C ATOM 851 O ASN A 56 4.756 1.798 4.798 1.00 0.00 O ATOM 852 CB ASN A 56 2.508 3.312 3.876 1.00 0.00 C ATOM 853 CG ASN A 56 3.604 4.025 3.104 1.00 0.00 C ATOM 854 OD1 ASN A 56 4.417 4.776 3.664 1.00 0.00 O ATOM 855 ND2 ASN A 56 3.578 3.874 1.799 1.00 0.00 N ATOM 0 H ASN A 56 3.225 5.135 5.548 1.00 0.00 H new ATOM 0 HA ASN A 56 1.923 2.550 5.762 1.00 0.00 H new ATOM 0 HB2 ASN A 56 2.339 2.338 3.417 1.00 0.00 H new ATOM 0 HB3 ASN A 56 1.584 3.879 3.769 1.00 0.00 H new ATOM 0 HD21 ASN A 56 4.240 4.383 1.213 1.00 0.00 H new ATOM 0 HD22 ASN A 56 2.896 3.248 1.372 1.00 0.00 H new ATOM 862 N LYS A 57 4.218 2.001 6.953 1.00 0.00 N ATOM 863 CA LYS A 57 5.305 1.220 7.455 1.00 0.00 C ATOM 864 C LYS A 57 4.844 -0.205 7.734 1.00 0.00 C ATOM 865 O LYS A 57 4.191 -0.462 8.763 1.00 0.00 O ATOM 866 CB LYS A 57 5.944 1.895 8.690 1.00 0.00 C ATOM 867 CG LYS A 57 4.957 2.305 9.780 1.00 0.00 C ATOM 868 CD LYS A 57 5.649 2.892 11.004 1.00 0.00 C ATOM 869 CE LYS A 57 6.380 4.176 10.668 1.00 0.00 C ATOM 870 NZ LYS A 57 7.019 4.783 11.845 1.00 0.00 N ATOM 871 OXT LYS A 57 5.089 -1.082 6.890 1.00 0.00 O ATOM 0 H LYS A 57 3.613 2.371 7.686 1.00 0.00 H new ATOM 0 HA LYS A 57 6.086 1.163 6.697 1.00 0.00 H new ATOM 0 HB2 LYS A 57 6.676 1.212 9.121 1.00 0.00 H new ATOM 0 HB3 LYS A 57 6.488 2.780 8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.258 3.037 9.376 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.371 1.436 10.080 1.00 0.00 H new ATOM 0 HD2 LYS A 57 4.911 3.086 11.782 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.355 2.166 11.407 1.00 0.00 H new ATOM 0 HE2 LYS A 57 7.138 3.972 9.912 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.678 4.887 10.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.506 5.658 11.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 6.295 5.004 12.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 7.709 4.117 12.247 1.00 0.00 H new