USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 516 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 ASN :FLIP amide:sc= 0.0601 F(o=-1.7,f=0.06) USER MOD Single : A 1 ASN N :NH3+ -147:sc=0.000251 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 GLN : amide:sc=-0.00498 K(o=-0.005,f=-1) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.53! C(o=-1.5!,f=-3.1!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 TYR OH : rot 85:sc= 0.0771 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -142:sc= -0.735 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 ASN : amide:sc= -2.49! C(o=-2.5!,f=-4.7!) USER MOD Single : A 53 GLN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 55 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00563) USER MOD Single : A 58 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 61 SER OG : rot 65:sc= 0.672 USER MOD Single : A 63 SER OG : rot 84:sc= -1.07! USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 GLN : amide:sc= -0.749 X(o=-0.75,f=-0.41) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASN A 1 -13.996 0.844 12.371 1.00 0.00 N ATOM 2 CA ASN A 1 -12.877 0.718 11.432 1.00 0.00 C ATOM 3 C ASN A 1 -12.275 -0.674 11.524 1.00 0.00 C ATOM 4 O ASN A 1 -11.514 -0.970 12.431 1.00 0.00 O ATOM 5 CB ASN A 1 -11.811 1.785 11.705 1.00 0.00 C ATOM 6 CG ASN A 1 -11.038 2.169 10.458 1.00 0.00 C ATOM 7 OD1 ASN A 1 -10.558 1.176 9.730 1.00 0.00 O flip ATOM 8 ND2 ASN A 1 -10.890 3.335 10.153 1.00 0.00 N flip ATOM 0 H1 ASN A 1 -14.715 1.479 11.970 1.00 0.00 H new ATOM 0 H2 ASN A 1 -14.416 -0.093 12.538 1.00 0.00 H new ATOM 0 H3 ASN A 1 -13.652 1.235 13.271 1.00 0.00 H new ATOM 0 HA ASN A 1 -13.255 0.872 10.421 1.00 0.00 H new ATOM 0 HB2 ASN A 1 -12.289 2.673 12.120 1.00 0.00 H new ATOM 0 HB3 ASN A 1 -11.116 1.415 12.459 1.00 0.00 H new ATOM 0 HD21 ASN A 1 -11.278 4.070 10.745 1.00 0.00 H new ATOM 0 HD22 ASN A 1 -10.378 3.579 9.305 1.00 0.00 H new ATOM 17 N GLU A 2 -12.543 -1.494 10.523 1.00 0.00 N ATOM 18 CA GLU A 2 -12.054 -2.873 10.498 1.00 0.00 C ATOM 19 C GLU A 2 -10.881 -2.985 9.544 1.00 0.00 C ATOM 20 O GLU A 2 -9.928 -3.685 9.811 1.00 0.00 O ATOM 21 CB GLU A 2 -13.143 -3.855 10.063 1.00 0.00 C ATOM 22 CG GLU A 2 -14.548 -3.438 10.482 1.00 0.00 C ATOM 23 CD GLU A 2 -14.759 -3.433 11.980 1.00 0.00 C ATOM 24 OE1 GLU A 2 -14.438 -4.471 12.595 1.00 0.00 O ATOM 25 OE2 GLU A 2 -15.158 -2.360 12.496 1.00 0.00 O ATOM 0 H GLU A 2 -13.100 -1.232 9.709 1.00 0.00 H new ATOM 0 HA GLU A 2 -11.746 -3.129 11.512 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -13.113 -3.960 8.978 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -12.924 -4.836 10.484 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -14.753 -2.441 10.092 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -15.270 -4.114 10.024 1.00 0.00 H new ATOM 32 N CYS A 3 -10.925 -2.272 8.421 1.00 0.00 N ATOM 33 CA CYS A 3 -9.862 -2.281 7.427 1.00 0.00 C ATOM 34 C CYS A 3 -8.494 -2.133 8.088 1.00 0.00 C ATOM 35 O CYS A 3 -7.627 -2.994 7.947 1.00 0.00 O ATOM 36 CB CYS A 3 -10.082 -1.151 6.410 1.00 0.00 C ATOM 37 SG CYS A 3 -10.835 -1.763 4.890 1.00 0.00 S ATOM 0 H CYS A 3 -11.709 -1.667 8.176 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.888 -3.239 6.908 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -10.720 -0.384 6.850 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -9.128 -0.678 6.179 1.00 0.00 H new ATOM 42 N VAL A 4 -8.326 -1.060 8.862 1.00 0.00 N ATOM 43 CA VAL A 4 -7.078 -0.803 9.578 1.00 0.00 C ATOM 44 C VAL A 4 -6.718 -1.953 10.514 1.00 0.00 C ATOM 45 O VAL A 4 -5.567 -2.144 10.860 1.00 0.00 O ATOM 46 CB VAL A 4 -7.159 0.500 10.380 1.00 0.00 C ATOM 47 CG1 VAL A 4 -7.806 0.264 11.744 1.00 0.00 C ATOM 48 CG2 VAL A 4 -5.772 1.104 10.547 1.00 0.00 C ATOM 0 H VAL A 4 -9.045 -0.351 9.009 1.00 0.00 H new ATOM 0 HA VAL A 4 -6.296 -0.711 8.824 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.783 1.202 9.827 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.851 1.205 12.293 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.815 -0.124 11.606 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.214 -0.457 12.308 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -5.844 2.029 11.119 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.130 0.400 11.076 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.347 1.316 9.566 1.00 0.00 H new ATOM 58 N SER A 5 -7.723 -2.722 10.926 1.00 0.00 N ATOM 59 CA SER A 5 -7.542 -3.863 11.807 1.00 0.00 C ATOM 60 C SER A 5 -6.713 -4.947 11.139 1.00 0.00 C ATOM 61 O SER A 5 -5.932 -5.639 11.777 1.00 0.00 O ATOM 62 CB SER A 5 -8.890 -4.434 12.248 1.00 0.00 C ATOM 63 OG SER A 5 -8.783 -5.139 13.456 1.00 0.00 O ATOM 0 H SER A 5 -8.693 -2.566 10.653 1.00 0.00 H new ATOM 0 HA SER A 5 -7.006 -3.512 12.689 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.609 -3.623 12.362 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.276 -5.096 11.473 1.00 0.00 H new ATOM 0 HG SER A 5 -9.663 -5.489 13.709 1.00 0.00 H new ATOM 69 N LYS A 6 -6.883 -5.107 9.822 1.00 0.00 N ATOM 70 CA LYS A 6 -6.143 -6.090 9.044 1.00 0.00 C ATOM 71 C LYS A 6 -4.939 -5.466 8.352 1.00 0.00 C ATOM 72 O LYS A 6 -4.077 -6.172 7.835 1.00 0.00 O ATOM 73 CB LYS A 6 -7.059 -6.753 8.023 1.00 0.00 C ATOM 74 CG LYS A 6 -8.188 -7.562 8.648 1.00 0.00 C ATOM 75 CD LYS A 6 -9.415 -6.700 8.907 1.00 0.00 C ATOM 76 CE LYS A 6 -10.599 -7.539 9.387 1.00 0.00 C ATOM 77 NZ LYS A 6 -10.597 -7.706 10.853 1.00 0.00 N ATOM 0 H LYS A 6 -7.540 -4.555 9.271 1.00 0.00 H new ATOM 0 HA LYS A 6 -5.771 -6.848 9.733 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -7.488 -5.985 7.379 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -6.465 -7.408 7.386 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.455 -8.387 7.987 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -7.846 -8.002 9.585 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -9.178 -5.943 9.654 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -9.689 -6.172 7.994 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -11.530 -7.064 9.077 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -10.567 -8.519 8.910 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.416 -8.281 11.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -9.720 -8.182 11.147 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -10.654 -6.773 11.309 1.00 0.00 H new ATOM 91 N GLY A 7 -4.893 -4.139 8.309 1.00 0.00 N ATOM 92 CA GLY A 7 -3.809 -3.424 7.673 1.00 0.00 C ATOM 93 C GLY A 7 -4.151 -2.978 6.269 1.00 0.00 C ATOM 94 O GLY A 7 -3.267 -2.946 5.425 1.00 0.00 O ATOM 0 H GLY A 7 -5.608 -3.536 8.715 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.551 -2.552 8.275 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -2.926 -4.062 7.642 1.00 0.00 H new ATOM 98 N PHE A 8 -5.428 -2.714 6.005 1.00 0.00 N ATOM 99 CA PHE A 8 -5.886 -2.261 4.705 1.00 0.00 C ATOM 100 C PHE A 8 -5.759 -0.749 4.567 1.00 0.00 C ATOM 101 O PHE A 8 -5.455 -0.051 5.533 1.00 0.00 O ATOM 102 CB PHE A 8 -7.329 -2.701 4.474 1.00 0.00 C ATOM 103 CG PHE A 8 -7.469 -4.161 4.162 1.00 0.00 C ATOM 104 CD1 PHE A 8 -7.128 -4.643 2.897 1.00 0.00 C ATOM 105 CD2 PHE A 8 -7.940 -5.042 5.135 1.00 0.00 C ATOM 106 CE1 PHE A 8 -7.260 -6.006 2.607 1.00 0.00 C ATOM 107 CE2 PHE A 8 -8.065 -6.403 4.850 1.00 0.00 C ATOM 108 CZ PHE A 8 -7.731 -6.887 3.584 1.00 0.00 C ATOM 0 H PHE A 8 -6.174 -2.810 6.694 1.00 0.00 H new ATOM 0 HA PHE A 8 -5.251 -2.716 3.945 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -7.917 -2.470 5.362 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -7.750 -2.121 3.653 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -6.762 -3.964 2.141 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -8.209 -4.670 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -6.998 -6.377 1.627 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -8.421 -7.083 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 8 -7.836 -7.938 3.360 1.00 0.00 H new ATOM 118 N GLY A 9 -6.033 -0.243 3.370 1.00 0.00 N ATOM 119 CA GLY A 9 -5.958 1.182 3.105 1.00 0.00 C ATOM 120 C GLY A 9 -7.231 1.729 2.488 1.00 0.00 C ATOM 121 O GLY A 9 -7.779 1.152 1.553 1.00 0.00 O ATOM 0 H GLY A 9 -6.310 -0.806 2.566 1.00 0.00 H new ATOM 0 HA2 GLY A 9 -5.754 1.711 4.036 1.00 0.00 H new ATOM 0 HA3 GLY A 9 -5.120 1.380 2.436 1.00 0.00 H new ATOM 125 N CYS A 10 -7.726 2.833 3.037 1.00 0.00 N ATOM 126 CA CYS A 10 -8.930 3.473 2.539 1.00 0.00 C ATOM 127 C CYS A 10 -8.619 4.389 1.368 1.00 0.00 C ATOM 128 O CYS A 10 -7.712 5.208 1.456 1.00 0.00 O ATOM 129 CB CYS A 10 -9.601 4.263 3.663 1.00 0.00 C ATOM 130 SG CYS A 10 -10.031 3.273 5.095 1.00 0.00 S ATOM 0 H CYS A 10 -7.303 3.305 3.836 1.00 0.00 H new ATOM 0 HA CYS A 10 -9.610 2.697 2.188 1.00 0.00 H new ATOM 0 HB2 CYS A 10 -8.934 5.066 3.977 1.00 0.00 H new ATOM 0 HB3 CYS A 10 -10.505 4.732 3.274 1.00 0.00 H new ATOM 135 N LEU A 11 -9.393 4.270 0.298 1.00 0.00 N ATOM 136 CA LEU A 11 -9.211 5.086 -0.891 1.00 0.00 C ATOM 137 C LEU A 11 -10.506 5.304 -1.647 1.00 0.00 C ATOM 138 O LEU A 11 -11.399 4.509 -1.551 1.00 0.00 O ATOM 139 CB LEU A 11 -8.183 4.437 -1.822 1.00 0.00 C ATOM 140 CG LEU A 11 -6.736 4.464 -1.324 1.00 0.00 C ATOM 141 CD1 LEU A 11 -5.859 3.601 -2.216 1.00 0.00 C ATOM 142 CD2 LEU A 11 -6.209 5.891 -1.275 1.00 0.00 C ATOM 0 H LEU A 11 -10.164 3.605 0.231 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.854 6.060 -0.557 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -8.473 3.399 -1.988 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -8.226 4.939 -2.789 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.711 4.059 -0.312 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -4.832 3.628 -1.852 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -6.223 2.574 -2.200 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.892 3.982 -3.237 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -5.179 5.886 -0.918 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -6.245 6.327 -2.273 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.825 6.483 -0.598 1.00 0.00 H new ATOM 154 N PRO A 12 -10.628 6.383 -2.413 1.00 0.00 N ATOM 155 CA PRO A 12 -11.820 6.697 -3.187 1.00 0.00 C ATOM 156 C PRO A 12 -12.021 5.720 -4.320 1.00 0.00 C ATOM 157 O PRO A 12 -11.080 5.420 -5.032 1.00 0.00 O ATOM 158 CB PRO A 12 -11.576 8.102 -3.707 1.00 0.00 C ATOM 159 CG PRO A 12 -10.064 8.234 -3.732 1.00 0.00 C ATOM 160 CD PRO A 12 -9.588 7.377 -2.583 1.00 0.00 C ATOM 0 HA PRO A 12 -12.727 6.630 -2.586 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.004 8.239 -4.700 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.030 8.851 -3.058 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -9.652 7.890 -4.681 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -9.754 9.272 -3.607 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -8.628 6.912 -2.807 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -9.453 7.968 -1.677 1.00 0.00 H new ATOM 168 N GLN A 13 -13.256 5.278 -4.546 1.00 0.00 N ATOM 169 CA GLN A 13 -13.583 4.332 -5.611 1.00 0.00 C ATOM 170 C GLN A 13 -12.926 4.756 -6.920 1.00 0.00 C ATOM 171 O GLN A 13 -12.599 3.939 -7.751 1.00 0.00 O ATOM 172 CB GLN A 13 -15.098 4.273 -5.802 1.00 0.00 C ATOM 173 CG GLN A 13 -15.878 3.860 -4.562 1.00 0.00 C ATOM 174 CD GLN A 13 -17.366 4.073 -4.696 1.00 0.00 C ATOM 175 OE1 GLN A 13 -17.826 4.927 -5.428 1.00 0.00 O ATOM 176 NE2 GLN A 13 -18.131 3.263 -3.999 1.00 0.00 N ATOM 0 H GLN A 13 -14.063 5.567 -3.993 1.00 0.00 H new ATOM 0 HA GLN A 13 -13.209 3.348 -5.328 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -15.448 5.253 -6.126 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -15.322 3.572 -6.606 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -15.686 2.807 -4.354 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -15.512 4.426 -3.706 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -17.710 2.558 -3.395 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -19.146 3.340 -4.063 1.00 0.00 H new ATOM 185 N SER A 14 -12.759 6.062 -7.117 1.00 0.00 N ATOM 186 CA SER A 14 -12.092 6.590 -8.291 1.00 0.00 C ATOM 187 C SER A 14 -10.671 6.054 -8.442 1.00 0.00 C ATOM 188 O SER A 14 -10.268 5.679 -9.534 1.00 0.00 O ATOM 189 CB SER A 14 -12.066 8.114 -8.238 1.00 0.00 C ATOM 190 OG SER A 14 -11.792 8.659 -9.507 1.00 0.00 O ATOM 0 H SER A 14 -13.083 6.777 -6.466 1.00 0.00 H new ATOM 0 HA SER A 14 -12.661 6.259 -9.160 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.026 8.485 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 14 -11.310 8.444 -7.526 1.00 0.00 H new ATOM 0 HG SER A 14 -11.782 9.637 -9.448 1.00 0.00 H new ATOM 196 N ASP A 15 -9.930 6.016 -7.343 1.00 0.00 N ATOM 197 CA ASP A 15 -8.572 5.494 -7.325 1.00 0.00 C ATOM 198 C ASP A 15 -8.540 3.983 -7.113 1.00 0.00 C ATOM 199 O ASP A 15 -7.687 3.280 -7.640 1.00 0.00 O ATOM 200 CB ASP A 15 -7.757 6.189 -6.231 1.00 0.00 C ATOM 201 CG ASP A 15 -6.265 6.214 -6.563 1.00 0.00 C ATOM 202 OD1 ASP A 15 -5.935 6.439 -7.746 1.00 0.00 O ATOM 203 OD2 ASP A 15 -5.471 6.059 -5.612 1.00 0.00 O ATOM 0 H ASP A 15 -10.256 6.348 -6.435 1.00 0.00 H new ATOM 0 HA ASP A 15 -8.131 5.700 -8.300 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -8.118 7.209 -6.102 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.910 5.675 -5.282 1.00 0.00 H new ATOM 208 N CYS A 16 -9.493 3.464 -6.332 1.00 0.00 N ATOM 209 CA CYS A 16 -9.594 2.051 -6.051 1.00 0.00 C ATOM 210 C CYS A 16 -10.487 1.343 -7.071 1.00 0.00 C ATOM 211 O CYS A 16 -11.663 1.667 -7.230 1.00 0.00 O ATOM 212 CB CYS A 16 -10.101 1.816 -4.631 1.00 0.00 C ATOM 213 SG CYS A 16 -9.936 0.109 -4.071 1.00 0.00 S ATOM 0 H CYS A 16 -10.214 4.026 -5.880 1.00 0.00 H new ATOM 0 HA CYS A 16 -8.594 1.624 -6.133 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -9.555 2.467 -3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -11.150 2.106 -4.577 1.00 0.00 H new ATOM 218 N PRO A 17 -9.971 0.300 -7.719 1.00 0.00 N ATOM 219 CA PRO A 17 -10.717 -0.471 -8.702 1.00 0.00 C ATOM 220 C PRO A 17 -11.839 -1.262 -8.060 1.00 0.00 C ATOM 221 O PRO A 17 -11.713 -1.737 -6.935 1.00 0.00 O ATOM 222 CB PRO A 17 -9.686 -1.396 -9.324 1.00 0.00 C ATOM 223 CG PRO A 17 -8.615 -1.537 -8.261 1.00 0.00 C ATOM 224 CD PRO A 17 -8.625 -0.218 -7.531 1.00 0.00 C ATOM 0 HA PRO A 17 -11.199 0.171 -9.439 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -10.122 -2.362 -9.579 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -9.280 -0.976 -10.244 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -8.833 -2.365 -7.586 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -7.640 -1.736 -8.705 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -8.396 -0.349 -6.474 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.878 0.464 -7.937 1.00 0.00 H new ATOM 232 N GLN A 18 -12.926 -1.472 -8.797 1.00 0.00 N ATOM 233 CA GLN A 18 -14.064 -2.263 -8.332 1.00 0.00 C ATOM 234 C GLN A 18 -13.651 -3.685 -7.952 1.00 0.00 C ATOM 235 O GLN A 18 -14.404 -4.400 -7.304 1.00 0.00 O ATOM 236 CB GLN A 18 -15.170 -2.310 -9.387 1.00 0.00 C ATOM 237 CG GLN A 18 -14.648 -2.253 -10.821 1.00 0.00 C ATOM 238 CD GLN A 18 -14.543 -0.830 -11.343 1.00 0.00 C ATOM 239 OE1 GLN A 18 -15.152 0.102 -10.838 1.00 0.00 O ATOM 240 NE2 GLN A 18 -13.718 -0.641 -12.345 1.00 0.00 N ATOM 0 H GLN A 18 -13.044 -1.097 -9.738 1.00 0.00 H new ATOM 0 HA GLN A 18 -14.447 -1.769 -7.439 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -15.748 -3.225 -9.255 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -15.852 -1.476 -9.224 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.668 -2.727 -10.867 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -15.310 -2.827 -11.469 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -13.220 -1.433 -12.752 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -13.575 0.298 -12.717 1.00 0.00 H new ATOM 249 N GLU A 19 -12.452 -4.089 -8.364 1.00 0.00 N ATOM 250 CA GLU A 19 -11.912 -5.397 -8.049 1.00 0.00 C ATOM 251 C GLU A 19 -11.204 -5.416 -6.697 1.00 0.00 C ATOM 252 O GLU A 19 -11.062 -6.473 -6.081 1.00 0.00 O ATOM 253 CB GLU A 19 -10.958 -5.844 -9.160 1.00 0.00 C ATOM 254 CG GLU A 19 -9.513 -5.393 -8.944 1.00 0.00 C ATOM 255 CD GLU A 19 -8.738 -5.270 -10.252 1.00 0.00 C ATOM 256 OE1 GLU A 19 -9.340 -4.787 -11.237 1.00 0.00 O ATOM 257 OE2 GLU A 19 -7.548 -5.637 -10.247 1.00 0.00 O ATOM 0 H GLU A 19 -11.829 -3.511 -8.928 1.00 0.00 H new ATOM 0 HA GLU A 19 -12.746 -6.095 -7.982 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -10.983 -6.931 -9.234 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -11.314 -5.452 -10.113 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -9.509 -4.431 -8.431 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -9.007 -6.105 -8.291 1.00 0.00 H new ATOM 264 N ALA A 20 -10.748 -4.248 -6.245 1.00 0.00 N ATOM 265 CA ALA A 20 -10.059 -4.114 -4.982 1.00 0.00 C ATOM 266 C ALA A 20 -11.000 -3.637 -3.895 1.00 0.00 C ATOM 267 O ALA A 20 -10.754 -3.895 -2.729 1.00 0.00 O ATOM 268 CB ALA A 20 -8.886 -3.157 -5.119 1.00 0.00 C ATOM 0 H ALA A 20 -10.852 -3.370 -6.754 1.00 0.00 H new ATOM 0 HA ALA A 20 -9.683 -5.097 -4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.377 -3.066 -4.160 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -8.189 -3.540 -5.865 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -9.250 -2.178 -5.431 1.00 0.00 H new ATOM 274 N ARG A 21 -12.075 -2.936 -4.267 1.00 0.00 N ATOM 275 CA ARG A 21 -13.059 -2.424 -3.328 1.00 0.00 C ATOM 276 C ARG A 21 -13.458 -3.511 -2.334 1.00 0.00 C ATOM 277 O ARG A 21 -13.909 -4.584 -2.728 1.00 0.00 O ATOM 278 CB ARG A 21 -14.289 -1.910 -4.067 1.00 0.00 C ATOM 279 CG ARG A 21 -14.003 -0.699 -4.945 1.00 0.00 C ATOM 280 CD ARG A 21 -15.291 0.014 -5.325 1.00 0.00 C ATOM 281 NE ARG A 21 -15.119 0.896 -6.481 1.00 0.00 N ATOM 282 CZ ARG A 21 -16.099 1.286 -7.277 1.00 0.00 C ATOM 283 NH1 ARG A 21 -17.334 0.917 -7.031 1.00 0.00 N ATOM 284 NH2 ARG A 21 -15.862 2.079 -8.289 1.00 0.00 N ATOM 0 H ARG A 21 -12.282 -2.709 -5.240 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.612 -1.594 -2.781 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -14.693 -2.711 -4.686 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -15.058 -1.649 -3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -13.344 -0.010 -4.417 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.478 -1.015 -5.847 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -16.061 -0.725 -5.546 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -15.645 0.598 -4.475 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.178 1.232 -6.686 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -17.539 0.328 -6.224 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -18.089 1.219 -7.647 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -14.912 2.403 -8.471 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.627 2.373 -8.896 1.00 0.00 H new ATOM 298 N LEU A 22 -13.296 -3.234 -1.050 1.00 0.00 N ATOM 299 CA LEU A 22 -13.630 -4.169 0.005 1.00 0.00 C ATOM 300 C LEU A 22 -14.881 -3.712 0.743 1.00 0.00 C ATOM 301 O LEU A 22 -15.403 -2.626 0.504 1.00 0.00 O ATOM 302 CB LEU A 22 -12.454 -4.328 0.971 1.00 0.00 C ATOM 303 CG LEU A 22 -11.108 -4.674 0.339 1.00 0.00 C ATOM 304 CD1 LEU A 22 -9.989 -4.430 1.340 1.00 0.00 C ATOM 305 CD2 LEU A 22 -11.099 -6.117 -0.126 1.00 0.00 C ATOM 0 H LEU A 22 -12.926 -2.346 -0.711 1.00 0.00 H new ATOM 0 HA LEU A 22 -13.835 -5.141 -0.443 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -12.342 -3.399 1.531 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -12.705 -5.106 1.692 1.00 0.00 H new ATOM 0 HG LEU A 22 -10.949 -4.034 -0.529 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.031 -4.679 0.883 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.988 -3.381 1.636 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.145 -5.055 2.219 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -10.133 -6.349 -0.574 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -11.271 -6.775 0.726 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -11.887 -6.266 -0.864 1.00 0.00 H new ATOM 317 N SER A 23 -15.325 -4.521 1.698 1.00 0.00 N ATOM 318 CA SER A 23 -16.508 -4.223 2.498 1.00 0.00 C ATOM 319 C SER A 23 -16.245 -4.445 3.978 1.00 0.00 C ATOM 320 O SER A 23 -17.096 -4.915 4.721 1.00 0.00 O ATOM 321 CB SER A 23 -17.694 -5.065 2.035 1.00 0.00 C ATOM 322 OG SER A 23 -18.242 -4.559 0.840 1.00 0.00 O ATOM 0 H SER A 23 -14.874 -5.403 1.940 1.00 0.00 H new ATOM 0 HA SER A 23 -16.750 -3.170 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 23 -17.374 -6.096 1.884 1.00 0.00 H new ATOM 0 HB3 SER A 23 -18.459 -5.079 2.812 1.00 0.00 H new ATOM 0 HG SER A 23 -18.999 -5.118 0.565 1.00 0.00 H new ATOM 328 N TYR A 24 -15.027 -4.125 4.420 1.00 0.00 N ATOM 329 CA TYR A 24 -14.644 -4.284 5.816 1.00 0.00 C ATOM 330 C TYR A 24 -15.336 -3.248 6.685 1.00 0.00 C ATOM 331 O TYR A 24 -15.395 -3.400 7.879 1.00 0.00 O ATOM 332 CB TYR A 24 -13.129 -4.177 5.961 1.00 0.00 C ATOM 333 CG TYR A 24 -12.392 -5.438 5.606 1.00 0.00 C ATOM 334 CD1 TYR A 24 -12.454 -5.951 4.310 1.00 0.00 C ATOM 335 CD2 TYR A 24 -11.647 -6.113 6.571 1.00 0.00 C ATOM 336 CE1 TYR A 24 -11.776 -7.126 3.970 1.00 0.00 C ATOM 337 CE2 TYR A 24 -10.970 -7.294 6.238 1.00 0.00 C ATOM 338 CZ TYR A 24 -11.028 -7.803 4.939 1.00 0.00 C ATOM 339 OH TYR A 24 -10.358 -8.934 4.624 1.00 0.00 O ATOM 0 H TYR A 24 -14.288 -3.752 3.824 1.00 0.00 H new ATOM 0 HA TYR A 24 -14.959 -5.272 6.150 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -12.770 -3.367 5.326 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -12.891 -3.906 6.989 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -13.033 -5.434 3.559 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -11.591 -5.725 7.577 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -11.830 -7.510 2.962 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -10.399 -7.815 6.992 1.00 0.00 H new ATOM 0 HH TYR A 24 -9.484 -8.702 4.246 1.00 0.00 H new ATOM 349 N GLY A 25 -15.842 -2.174 6.090 1.00 0.00 N ATOM 350 CA GLY A 25 -16.531 -1.134 6.820 1.00 0.00 C ATOM 351 C GLY A 25 -15.594 -0.383 7.746 1.00 0.00 C ATOM 352 O GLY A 25 -15.483 -0.648 8.932 1.00 0.00 O ATOM 0 H GLY A 25 -15.782 -2.006 5.086 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -16.985 -0.436 6.117 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.342 -1.573 7.401 1.00 0.00 H new ATOM 356 N GLY A 26 -14.875 0.588 7.203 1.00 0.00 N ATOM 357 CA GLY A 26 -13.941 1.378 7.986 1.00 0.00 C ATOM 358 C GLY A 26 -13.202 2.417 7.166 1.00 0.00 C ATOM 359 O GLY A 26 -12.081 2.766 7.499 1.00 0.00 O ATOM 0 H GLY A 26 -14.922 0.848 6.218 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -14.482 1.877 8.790 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -13.216 0.712 8.455 1.00 0.00 H new ATOM 363 N CYS A 27 -13.813 2.862 6.074 1.00 0.00 N ATOM 364 CA CYS A 27 -13.227 3.865 5.204 1.00 0.00 C ATOM 365 C CYS A 27 -14.202 4.992 4.920 1.00 0.00 C ATOM 366 O CYS A 27 -15.407 4.774 4.869 1.00 0.00 O ATOM 367 CB CYS A 27 -12.774 3.224 3.904 1.00 0.00 C ATOM 368 SG CYS A 27 -11.366 2.188 4.140 1.00 0.00 S ATOM 0 H CYS A 27 -14.730 2.535 5.770 1.00 0.00 H new ATOM 0 HA CYS A 27 -12.364 4.292 5.716 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -13.591 2.637 3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -12.535 4.002 3.179 1.00 0.00 H new ATOM 373 N SER A 28 -13.664 6.186 4.699 1.00 0.00 N ATOM 374 CA SER A 28 -14.481 7.359 4.399 1.00 0.00 C ATOM 375 C SER A 28 -15.227 7.188 3.083 1.00 0.00 C ATOM 376 O SER A 28 -16.390 7.552 2.967 1.00 0.00 O ATOM 377 CB SER A 28 -13.612 8.617 4.344 1.00 0.00 C ATOM 378 OG SER A 28 -12.575 8.476 3.386 1.00 0.00 O ATOM 0 H SER A 28 -12.661 6.369 4.722 1.00 0.00 H new ATOM 0 HA SER A 28 -15.214 7.466 5.198 1.00 0.00 H new ATOM 0 HB2 SER A 28 -14.229 9.479 4.093 1.00 0.00 H new ATOM 0 HB3 SER A 28 -13.181 8.809 5.327 1.00 0.00 H new ATOM 0 HG SER A 28 -12.034 9.293 3.367 1.00 0.00 H new ATOM 384 N THR A 29 -14.553 6.605 2.089 1.00 0.00 N ATOM 385 CA THR A 29 -15.128 6.387 0.769 1.00 0.00 C ATOM 386 C THR A 29 -15.321 4.904 0.508 1.00 0.00 C ATOM 387 O THR A 29 -16.427 4.386 0.568 1.00 0.00 O ATOM 388 CB THR A 29 -14.268 7.011 -0.330 1.00 0.00 C ATOM 389 OG1 THR A 29 -12.981 6.441 -0.344 1.00 0.00 O ATOM 390 CG2 THR A 29 -14.111 8.507 -0.142 1.00 0.00 C ATOM 0 H THR A 29 -13.593 6.272 2.181 1.00 0.00 H new ATOM 0 HA THR A 29 -16.101 6.878 0.751 1.00 0.00 H new ATOM 0 HB THR A 29 -14.782 6.815 -1.271 1.00 0.00 H new ATOM 0 HG1 THR A 29 -12.318 7.135 -0.540 1.00 0.00 H new ATOM 0 HG21 THR A 29 -13.493 8.912 -0.944 1.00 0.00 H new ATOM 0 HG22 THR A 29 -15.092 8.982 -0.165 1.00 0.00 H new ATOM 0 HG23 THR A 29 -13.635 8.705 0.818 1.00 0.00 H new ATOM 398 N VAL A 30 -14.233 4.190 0.228 1.00 0.00 N ATOM 399 CA VAL A 30 -14.243 2.777 -0.077 1.00 0.00 C ATOM 400 C VAL A 30 -12.917 2.128 0.294 1.00 0.00 C ATOM 401 O VAL A 30 -11.835 2.622 0.038 1.00 0.00 O ATOM 402 CB VAL A 30 -14.571 2.521 -1.547 1.00 0.00 C ATOM 403 CG1 VAL A 30 -13.580 3.207 -2.454 1.00 0.00 C ATOM 404 CG2 VAL A 30 -14.590 1.030 -1.841 1.00 0.00 C ATOM 0 H VAL A 30 -13.298 4.598 0.209 1.00 0.00 H new ATOM 0 HA VAL A 30 -15.030 2.322 0.525 1.00 0.00 H new ATOM 0 HB VAL A 30 -15.561 2.934 -1.740 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -13.839 3.007 -3.494 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -13.606 4.282 -2.274 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -12.578 2.829 -2.250 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -14.826 0.870 -2.893 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -13.612 0.603 -1.619 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -15.346 0.547 -1.222 1.00 0.00 H new ATOM 414 N CYS A 31 -12.985 0.980 0.954 1.00 0.00 N ATOM 415 CA CYS A 31 -11.798 0.227 1.317 1.00 0.00 C ATOM 416 C CYS A 31 -11.125 -0.383 0.090 1.00 0.00 C ATOM 417 O CYS A 31 -11.796 -0.933 -0.773 1.00 0.00 O ATOM 418 CB CYS A 31 -12.164 -0.865 2.326 1.00 0.00 C ATOM 419 SG CYS A 31 -12.137 -0.521 4.081 1.00 0.00 S ATOM 0 H CYS A 31 -13.860 0.548 1.250 1.00 0.00 H new ATOM 0 HA CYS A 31 -11.086 0.914 1.774 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -13.169 -1.207 2.080 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -11.490 -1.704 2.152 1.00 0.00 H new ATOM 424 N CYS A 32 -9.805 -0.322 0.041 1.00 0.00 N ATOM 425 CA CYS A 32 -9.027 -0.884 -1.053 1.00 0.00 C ATOM 426 C CYS A 32 -8.169 -2.047 -0.574 1.00 0.00 C ATOM 427 O CYS A 32 -7.704 -2.069 0.569 1.00 0.00 O ATOM 428 CB CYS A 32 -8.155 0.197 -1.695 1.00 0.00 C ATOM 429 SG CYS A 32 -7.982 -0.006 -3.482 1.00 0.00 S ATOM 0 H CYS A 32 -9.238 0.122 0.764 1.00 0.00 H new ATOM 0 HA CYS A 32 -9.721 -1.265 -1.802 1.00 0.00 H new ATOM 0 HB2 CYS A 32 -8.587 1.176 -1.486 1.00 0.00 H new ATOM 0 HB3 CYS A 32 -7.167 0.180 -1.235 1.00 0.00 H new ATOM 434 N ASP A 33 -7.934 -3.010 -1.455 1.00 0.00 N ATOM 435 CA ASP A 33 -7.128 -4.181 -1.144 1.00 0.00 C ATOM 436 C ASP A 33 -5.673 -3.951 -1.518 1.00 0.00 C ATOM 437 O ASP A 33 -5.311 -3.959 -2.686 1.00 0.00 O ATOM 438 CB ASP A 33 -7.674 -5.416 -1.853 1.00 0.00 C ATOM 439 CG ASP A 33 -7.132 -6.708 -1.255 1.00 0.00 C ATOM 440 OD1 ASP A 33 -5.898 -6.889 -1.284 1.00 0.00 O ATOM 441 OD2 ASP A 33 -7.939 -7.512 -0.750 1.00 0.00 O ATOM 0 H ASP A 33 -8.298 -3.000 -2.408 1.00 0.00 H new ATOM 0 HA ASP A 33 -7.181 -4.351 -0.069 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.762 -5.417 -1.791 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -7.415 -5.370 -2.911 1.00 0.00 H new ATOM 446 N LEU A 34 -4.818 -3.751 -0.520 1.00 0.00 N ATOM 447 CA LEU A 34 -3.402 -3.522 -0.749 1.00 0.00 C ATOM 448 C LEU A 34 -2.735 -4.769 -1.316 1.00 0.00 C ATOM 449 O LEU A 34 -1.809 -4.663 -2.101 1.00 0.00 O ATOM 450 CB LEU A 34 -2.718 -3.116 0.555 1.00 0.00 C ATOM 451 CG LEU A 34 -3.293 -1.877 1.242 1.00 0.00 C ATOM 452 CD1 LEU A 34 -2.890 -1.866 2.706 1.00 0.00 C ATOM 453 CD2 LEU A 34 -2.811 -0.609 0.564 1.00 0.00 C ATOM 0 H LEU A 34 -5.088 -3.744 0.463 1.00 0.00 H new ATOM 0 HA LEU A 34 -3.301 -2.715 -1.475 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.773 -3.954 1.250 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -1.662 -2.940 0.351 1.00 0.00 H new ATOM 0 HG LEU A 34 -4.380 -1.914 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -3.303 -0.981 3.190 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.275 -2.760 3.196 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.803 -1.849 2.784 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -3.234 0.258 1.071 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -1.723 -0.562 0.611 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.129 -0.610 -0.479 1.00 0.00 H new ATOM 465 N SER A 35 -3.186 -5.945 -0.883 1.00 0.00 N ATOM 466 CA SER A 35 -2.652 -7.214 -1.360 1.00 0.00 C ATOM 467 C SER A 35 -2.888 -7.394 -2.856 1.00 0.00 C ATOM 468 O SER A 35 -2.039 -7.929 -3.562 1.00 0.00 O ATOM 469 CB SER A 35 -3.280 -8.380 -0.594 1.00 0.00 C ATOM 470 OG SER A 35 -2.407 -9.495 -0.578 1.00 0.00 O ATOM 0 H SER A 35 -3.931 -6.042 -0.193 1.00 0.00 H new ATOM 0 HA SER A 35 -1.576 -7.203 -1.184 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.504 -8.072 0.427 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.226 -8.659 -1.058 1.00 0.00 H new ATOM 0 HG SER A 35 -2.825 -10.230 -0.083 1.00 0.00 H new ATOM 476 N LYS A 36 -4.056 -6.967 -3.336 1.00 0.00 N ATOM 477 CA LYS A 36 -4.413 -7.068 -4.741 1.00 0.00 C ATOM 478 C LYS A 36 -3.773 -5.944 -5.546 1.00 0.00 C ATOM 479 O LYS A 36 -3.382 -6.149 -6.687 1.00 0.00 O ATOM 480 CB LYS A 36 -5.931 -7.037 -4.909 1.00 0.00 C ATOM 481 CG LYS A 36 -6.627 -8.280 -4.360 1.00 0.00 C ATOM 482 CD LYS A 36 -7.970 -8.509 -5.051 1.00 0.00 C ATOM 483 CE LYS A 36 -8.682 -9.738 -4.491 1.00 0.00 C ATOM 484 NZ LYS A 36 -10.057 -9.871 -5.029 1.00 0.00 N ATOM 0 H LYS A 36 -4.779 -6.541 -2.756 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.036 -8.019 -5.118 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.327 -6.155 -4.405 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -6.170 -6.933 -5.967 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -5.988 -9.151 -4.503 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -6.781 -8.170 -3.287 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -8.602 -7.630 -4.922 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -7.813 -8.634 -6.122 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -8.109 -10.632 -4.734 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -8.722 -9.671 -3.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.507 -10.717 -4.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -10.612 -9.029 -4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.018 -9.961 -6.064 1.00 0.00 H new ATOM 498 N LEU A 37 -3.680 -4.758 -4.948 1.00 0.00 N ATOM 499 CA LEU A 37 -3.096 -3.601 -5.597 1.00 0.00 C ATOM 500 C LEU A 37 -1.608 -3.817 -5.833 1.00 0.00 C ATOM 501 O LEU A 37 -1.124 -3.747 -6.959 1.00 0.00 O ATOM 502 CB LEU A 37 -3.324 -2.341 -4.756 1.00 0.00 C ATOM 503 CG LEU A 37 -4.755 -1.801 -4.760 1.00 0.00 C ATOM 504 CD1 LEU A 37 -4.887 -0.686 -3.726 1.00 0.00 C ATOM 505 CD2 LEU A 37 -5.148 -1.297 -6.140 1.00 0.00 C ATOM 0 H LEU A 37 -4.009 -4.579 -3.999 1.00 0.00 H new ATOM 0 HA LEU A 37 -3.584 -3.466 -6.562 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -3.037 -2.555 -3.726 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -2.657 -1.558 -5.117 1.00 0.00 H new ATOM 0 HG LEU A 37 -5.433 -2.614 -4.499 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.908 -0.304 -3.732 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.652 -1.078 -2.736 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.196 0.121 -3.971 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.170 -0.919 -6.112 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.473 -0.496 -6.440 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.083 -2.114 -6.858 1.00 0.00 H new ATOM 517 N THR A 38 -0.865 -4.051 -4.757 1.00 0.00 N ATOM 518 CA THR A 38 0.577 -4.258 -4.816 1.00 0.00 C ATOM 519 C THR A 38 1.006 -5.394 -3.909 1.00 0.00 C ATOM 520 O THR A 38 0.203 -6.066 -3.275 1.00 0.00 O ATOM 521 CB THR A 38 1.344 -2.985 -4.447 1.00 0.00 C ATOM 522 OG1 THR A 38 1.106 -2.637 -3.091 1.00 0.00 O ATOM 523 CG2 THR A 38 0.962 -1.840 -5.366 1.00 0.00 C ATOM 0 H THR A 38 -1.249 -4.103 -3.813 1.00 0.00 H new ATOM 0 HA THR A 38 0.817 -4.520 -5.846 1.00 0.00 H new ATOM 0 HB THR A 38 2.409 -3.180 -4.572 1.00 0.00 H new ATOM 0 HG1 THR A 38 1.604 -1.823 -2.870 1.00 0.00 H new ATOM 0 HG21 THR A 38 1.519 -0.946 -5.085 1.00 0.00 H new ATOM 0 HG22 THR A 38 1.198 -2.106 -6.396 1.00 0.00 H new ATOM 0 HG23 THR A 38 -0.107 -1.644 -5.278 1.00 0.00 H new ATOM 531 N GLY A 39 2.311 -5.625 -3.823 1.00 0.00 N ATOM 532 CA GLY A 39 2.857 -6.667 -2.974 1.00 0.00 C ATOM 533 C GLY A 39 3.803 -6.134 -1.916 1.00 0.00 C ATOM 534 O GLY A 39 4.295 -6.897 -1.094 1.00 0.00 O ATOM 0 H GLY A 39 3.014 -5.096 -4.339 1.00 0.00 H new ATOM 0 HA2 GLY A 39 2.039 -7.198 -2.488 1.00 0.00 H new ATOM 0 HA3 GLY A 39 3.385 -7.393 -3.593 1.00 0.00 H new ATOM 538 N CYS A 40 3.980 -4.819 -1.862 1.00 0.00 N ATOM 539 CA CYS A 40 4.920 -4.185 -0.941 1.00 0.00 C ATOM 540 C CYS A 40 4.558 -4.558 0.475 1.00 0.00 C ATOM 541 O CYS A 40 5.371 -5.073 1.228 1.00 0.00 O ATOM 542 CB CYS A 40 4.890 -2.664 -1.110 1.00 0.00 C ATOM 543 SG CYS A 40 6.427 -1.826 -0.612 1.00 0.00 S ATOM 0 H CYS A 40 3.476 -4.160 -2.456 1.00 0.00 H new ATOM 0 HA CYS A 40 5.929 -4.534 -1.162 1.00 0.00 H new ATOM 0 HB2 CYS A 40 4.684 -2.430 -2.154 1.00 0.00 H new ATOM 0 HB3 CYS A 40 4.064 -2.261 -0.524 1.00 0.00 H new ATOM 548 N LYS A 41 3.284 -4.353 0.827 1.00 0.00 N ATOM 549 CA LYS A 41 2.783 -4.684 2.151 1.00 0.00 C ATOM 550 C LYS A 41 2.750 -6.187 2.354 1.00 0.00 C ATOM 551 O LYS A 41 2.988 -6.677 3.450 1.00 0.00 O ATOM 552 CB LYS A 41 1.404 -4.057 2.366 1.00 0.00 C ATOM 553 CG LYS A 41 0.273 -4.849 1.715 1.00 0.00 C ATOM 554 CD LYS A 41 -0.309 -5.896 2.665 1.00 0.00 C ATOM 555 CE LYS A 41 -1.168 -5.257 3.750 1.00 0.00 C ATOM 556 NZ LYS A 41 -1.915 -6.271 4.529 1.00 0.00 N ATOM 0 H LYS A 41 2.582 -3.956 0.203 1.00 0.00 H new ATOM 0 HA LYS A 41 3.461 -4.270 2.897 1.00 0.00 H new ATOM 0 HB2 LYS A 41 1.212 -3.976 3.436 1.00 0.00 H new ATOM 0 HB3 LYS A 41 1.407 -3.044 1.965 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -0.516 -4.165 1.401 1.00 0.00 H new ATOM 0 HG3 LYS A 41 0.645 -5.341 0.816 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -0.909 -6.608 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 41 0.502 -6.459 3.127 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.534 -4.678 4.421 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -1.870 -4.559 3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -2.487 -5.797 5.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -2.539 -6.807 3.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -1.244 -6.922 4.985 1.00 0.00 H new ATOM 570 N GLY A 42 2.386 -6.929 1.306 1.00 0.00 N ATOM 571 CA GLY A 42 2.261 -8.368 1.375 1.00 0.00 C ATOM 572 C GLY A 42 3.553 -9.018 1.832 1.00 0.00 C ATOM 573 O GLY A 42 3.542 -9.902 2.681 1.00 0.00 O ATOM 0 H GLY A 42 2.171 -6.539 0.388 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.457 -8.632 2.062 1.00 0.00 H new ATOM 0 HA3 GLY A 42 1.983 -8.757 0.395 1.00 0.00 H new ATOM 577 N LYS A 43 4.680 -8.544 1.301 1.00 0.00 N ATOM 578 CA LYS A 43 5.996 -9.049 1.669 1.00 0.00 C ATOM 579 C LYS A 43 6.476 -8.459 2.993 1.00 0.00 C ATOM 580 O LYS A 43 7.629 -8.628 3.365 1.00 0.00 O ATOM 581 CB LYS A 43 7.010 -8.760 0.564 1.00 0.00 C ATOM 582 CG LYS A 43 6.583 -9.293 -0.801 1.00 0.00 C ATOM 583 CD LYS A 43 7.724 -9.187 -1.810 1.00 0.00 C ATOM 584 CE LYS A 43 7.222 -9.384 -3.239 1.00 0.00 C ATOM 585 NZ LYS A 43 8.335 -9.370 -4.221 1.00 0.00 N ATOM 0 H LYS A 43 4.703 -7.799 0.604 1.00 0.00 H new ATOM 0 HA LYS A 43 5.908 -10.128 1.797 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.164 -7.683 0.494 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.969 -9.202 0.835 1.00 0.00 H new ATOM 0 HG2 LYS A 43 6.270 -10.333 -0.708 1.00 0.00 H new ATOM 0 HG3 LYS A 43 5.721 -8.732 -1.161 1.00 0.00 H new ATOM 0 HD2 LYS A 43 8.201 -8.211 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 43 8.484 -9.935 -1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 43 6.687 -10.331 -3.309 1.00 0.00 H new ATOM 0 HE3 LYS A 43 6.510 -8.597 -3.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 7.954 -9.507 -5.179 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 8.830 -8.457 -4.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 9.002 -10.137 -4.001 1.00 0.00 H new ATOM 599 N GLY A 44 5.594 -7.758 3.697 1.00 0.00 N ATOM 600 CA GLY A 44 5.928 -7.142 4.961 1.00 0.00 C ATOM 601 C GLY A 44 6.712 -5.856 4.786 1.00 0.00 C ATOM 602 O GLY A 44 7.640 -5.584 5.537 1.00 0.00 O ATOM 0 H GLY A 44 4.630 -7.605 3.401 1.00 0.00 H new ATOM 0 HA2 GLY A 44 5.012 -6.934 5.514 1.00 0.00 H new ATOM 0 HA3 GLY A 44 6.511 -7.841 5.561 1.00 0.00 H new ATOM 606 N GLY A 45 6.352 -5.070 3.784 1.00 0.00 N ATOM 607 CA GLY A 45 7.016 -3.810 3.508 1.00 0.00 C ATOM 608 C GLY A 45 6.168 -2.612 3.887 1.00 0.00 C ATOM 609 O GLY A 45 5.003 -2.752 4.258 1.00 0.00 O ATOM 0 H GLY A 45 5.591 -5.289 3.141 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.958 -3.772 4.055 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.261 -3.757 2.447 1.00 0.00 H new ATOM 613 N GLU A 46 6.745 -1.424 3.797 1.00 0.00 N ATOM 614 CA GLU A 46 6.059 -0.181 4.103 1.00 0.00 C ATOM 615 C GLU A 46 6.632 0.989 3.307 1.00 0.00 C ATOM 616 O GLU A 46 7.775 0.975 2.854 1.00 0.00 O ATOM 617 CB GLU A 46 6.156 0.089 5.608 1.00 0.00 C ATOM 618 CG GLU A 46 5.430 1.362 6.041 1.00 0.00 C ATOM 619 CD GLU A 46 5.408 1.535 7.558 1.00 0.00 C ATOM 620 OE1 GLU A 46 6.489 1.393 8.171 1.00 0.00 O ATOM 621 OE2 GLU A 46 4.306 1.803 8.083 1.00 0.00 O ATOM 0 H GLU A 46 7.714 -1.296 3.506 1.00 0.00 H new ATOM 0 HA GLU A 46 5.012 -0.281 3.815 1.00 0.00 H new ATOM 0 HB2 GLU A 46 5.740 -0.760 6.150 1.00 0.00 H new ATOM 0 HB3 GLU A 46 7.206 0.164 5.890 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.916 2.226 5.587 1.00 0.00 H new ATOM 0 HG3 GLU A 46 4.407 1.338 5.666 1.00 0.00 H new ATOM 628 N CYS A 47 5.831 2.039 3.137 1.00 0.00 N ATOM 629 CA CYS A 47 6.252 3.238 2.440 1.00 0.00 C ATOM 630 C CYS A 47 7.247 4.045 3.263 1.00 0.00 C ATOM 631 O CYS A 47 7.051 4.278 4.452 1.00 0.00 O ATOM 632 CB CYS A 47 5.045 4.105 2.093 1.00 0.00 C ATOM 633 SG CYS A 47 5.302 5.181 0.664 1.00 0.00 S ATOM 0 H CYS A 47 4.872 2.076 3.482 1.00 0.00 H new ATOM 0 HA CYS A 47 6.747 2.925 1.521 1.00 0.00 H new ATOM 0 HB2 CYS A 47 4.189 3.458 1.899 1.00 0.00 H new ATOM 0 HB3 CYS A 47 4.791 4.719 2.957 1.00 0.00 H new ATOM 638 N ASN A 48 8.328 4.476 2.630 1.00 0.00 N ATOM 639 CA ASN A 48 9.369 5.253 3.274 1.00 0.00 C ATOM 640 C ASN A 48 9.780 6.456 2.427 1.00 0.00 C ATOM 641 O ASN A 48 9.761 6.425 1.197 1.00 0.00 O ATOM 642 CB ASN A 48 10.580 4.372 3.579 1.00 0.00 C ATOM 643 CG ASN A 48 10.375 3.497 4.789 1.00 0.00 C ATOM 644 OD1 ASN A 48 11.069 3.615 5.786 1.00 0.00 O ATOM 645 ND2 ASN A 48 9.420 2.606 4.718 1.00 0.00 N ATOM 0 H ASN A 48 8.506 4.292 1.643 1.00 0.00 H new ATOM 0 HA ASN A 48 8.966 5.634 4.212 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.794 3.744 2.714 1.00 0.00 H new ATOM 0 HB3 ASN A 48 11.453 5.005 3.737 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.240 1.987 5.509 1.00 0.00 H new ATOM 0 HD22 ASN A 48 8.856 2.530 3.872 1.00 0.00 H new ATOM 652 N PRO A 49 10.170 7.550 3.087 1.00 0.00 N ATOM 653 CA PRO A 49 10.606 8.766 2.416 1.00 0.00 C ATOM 654 C PRO A 49 11.929 8.577 1.692 1.00 0.00 C ATOM 655 O PRO A 49 12.739 7.741 2.072 1.00 0.00 O ATOM 656 CB PRO A 49 10.727 9.796 3.525 1.00 0.00 C ATOM 657 CG PRO A 49 10.977 8.973 4.775 1.00 0.00 C ATOM 658 CD PRO A 49 10.230 7.679 4.534 1.00 0.00 C ATOM 0 HA PRO A 49 9.902 9.071 1.642 1.00 0.00 H new ATOM 0 HB2 PRO A 49 11.546 10.490 3.336 1.00 0.00 H new ATOM 0 HB3 PRO A 49 9.819 10.391 3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 49 12.042 8.794 4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 49 10.610 9.483 5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 49 10.748 6.833 4.986 1.00 0.00 H new ATOM 0 HD3 PRO A 49 9.232 7.711 4.970 1.00 0.00 H new ATOM 666 N LEU A 50 12.179 9.406 0.680 1.00 0.00 N ATOM 667 CA LEU A 50 13.427 9.361 -0.074 1.00 0.00 C ATOM 668 C LEU A 50 14.638 9.618 0.825 1.00 0.00 C ATOM 669 O LEU A 50 15.770 9.336 0.448 1.00 0.00 O ATOM 670 CB LEU A 50 13.407 10.388 -1.212 1.00 0.00 C ATOM 671 CG LEU A 50 12.116 10.454 -2.027 1.00 0.00 C ATOM 672 CD1 LEU A 50 12.247 11.482 -3.143 1.00 0.00 C ATOM 673 CD2 LEU A 50 11.784 9.099 -2.618 1.00 0.00 C ATOM 0 H LEU A 50 11.526 10.122 0.363 1.00 0.00 H new ATOM 0 HA LEU A 50 13.516 8.358 -0.492 1.00 0.00 H new ATOM 0 HB2 LEU A 50 13.598 11.374 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 50 14.231 10.167 -1.890 1.00 0.00 H new ATOM 0 HG LEU A 50 11.309 10.752 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 50 11.320 11.518 -3.715 1.00 0.00 H new ATOM 0 HD12 LEU A 50 12.446 12.463 -2.712 1.00 0.00 H new ATOM 0 HD13 LEU A 50 13.069 11.201 -3.801 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.861 9.169 -3.194 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.596 8.778 -3.271 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.656 8.373 -1.815 1.00 0.00 H new ATOM 685 N ASP A 51 14.387 10.163 2.015 1.00 0.00 N ATOM 686 CA ASP A 51 15.429 10.439 2.983 1.00 0.00 C ATOM 687 C ASP A 51 15.817 9.183 3.761 1.00 0.00 C ATOM 688 O ASP A 51 16.833 9.147 4.458 1.00 0.00 O ATOM 689 CB ASP A 51 14.972 11.533 3.949 1.00 0.00 C ATOM 690 CG ASP A 51 14.477 12.782 3.227 1.00 0.00 C ATOM 691 OD1 ASP A 51 15.268 13.363 2.457 1.00 0.00 O ATOM 692 OD2 ASP A 51 13.293 13.127 3.436 1.00 0.00 O ATOM 0 H ASP A 51 13.452 10.423 2.328 1.00 0.00 H new ATOM 0 HA ASP A 51 16.309 10.782 2.438 1.00 0.00 H new ATOM 0 HB2 ASP A 51 14.175 11.144 4.582 1.00 0.00 H new ATOM 0 HB3 ASP A 51 15.799 11.801 4.606 1.00 0.00 H new ATOM 697 N ARG A 52 14.992 8.135 3.679 1.00 0.00 N ATOM 698 CA ARG A 52 15.240 6.870 4.347 1.00 0.00 C ATOM 699 C ARG A 52 16.018 5.926 3.442 1.00 0.00 C ATOM 700 O ARG A 52 15.859 5.930 2.230 1.00 0.00 O ATOM 701 CB ARG A 52 13.916 6.245 4.773 1.00 0.00 C ATOM 702 CG ARG A 52 14.089 5.182 5.851 1.00 0.00 C ATOM 703 CD ARG A 52 14.229 5.808 7.233 1.00 0.00 C ATOM 704 NE ARG A 52 15.614 6.176 7.539 1.00 0.00 N ATOM 705 CZ ARG A 52 16.008 6.722 8.671 1.00 0.00 C ATOM 706 NH1 ARG A 52 15.145 6.966 9.628 1.00 0.00 N ATOM 707 NH2 ARG A 52 17.270 7.016 8.857 1.00 0.00 N ATOM 0 H ARG A 52 14.126 8.149 3.140 1.00 0.00 H new ATOM 0 HA ARG A 52 15.845 7.052 5.235 1.00 0.00 H new ATOM 0 HB2 ARG A 52 13.252 7.027 5.142 1.00 0.00 H new ATOM 0 HB3 ARG A 52 13.432 5.800 3.904 1.00 0.00 H new ATOM 0 HG2 ARG A 52 13.232 4.508 5.840 1.00 0.00 H new ATOM 0 HG3 ARG A 52 14.971 4.580 5.632 1.00 0.00 H new ATOM 0 HD2 ARG A 52 13.598 6.695 7.293 1.00 0.00 H new ATOM 0 HD3 ARG A 52 13.867 5.107 7.985 1.00 0.00 H new ATOM 0 HE ARG A 52 16.322 5.997 6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 52 14.161 6.733 9.499 1.00 0.00 H new ATOM 0 HH12 ARG A 52 15.458 7.389 10.502 1.00 0.00 H new ATOM 0 HH21 ARG A 52 17.952 6.822 8.124 1.00 0.00 H new ATOM 0 HH22 ARG A 52 17.571 7.439 9.735 1.00 0.00 H new ATOM 721 N GLN A 53 16.856 5.099 4.058 1.00 0.00 N ATOM 722 CA GLN A 53 17.655 4.122 3.336 1.00 0.00 C ATOM 723 C GLN A 53 17.125 2.711 3.543 1.00 0.00 C ATOM 724 O GLN A 53 17.029 2.235 4.676 1.00 0.00 O ATOM 725 CB GLN A 53 19.114 4.196 3.779 1.00 0.00 C ATOM 726 CG GLN A 53 19.743 5.566 3.553 1.00 0.00 C ATOM 727 CD GLN A 53 21.258 5.500 3.495 1.00 0.00 C ATOM 728 OE1 GLN A 53 21.886 4.546 3.922 1.00 0.00 O ATOM 729 NE2 GLN A 53 21.869 6.540 2.967 1.00 0.00 N ATOM 0 H GLN A 53 16.998 5.089 5.068 1.00 0.00 H new ATOM 0 HA GLN A 53 17.588 4.360 2.274 1.00 0.00 H new ATOM 0 HB2 GLN A 53 19.178 3.944 4.838 1.00 0.00 H new ATOM 0 HB3 GLN A 53 19.690 3.446 3.237 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.364 5.989 2.623 1.00 0.00 H new ATOM 0 HG3 GLN A 53 19.441 6.239 4.355 1.00 0.00 H new ATOM 0 HE21 GLN A 53 21.324 7.327 2.616 1.00 0.00 H new ATOM 0 HE22 GLN A 53 22.887 6.558 2.909 1.00 0.00 H new ATOM 738 N CYS A 54 16.780 2.040 2.455 1.00 0.00 N ATOM 739 CA CYS A 54 16.246 0.687 2.501 1.00 0.00 C ATOM 740 C CYS A 54 16.055 0.108 1.114 1.00 0.00 C ATOM 741 O CYS A 54 16.129 0.812 0.145 1.00 0.00 O ATOM 742 CB CYS A 54 14.913 0.675 3.247 1.00 0.00 C ATOM 743 SG CYS A 54 13.936 2.208 3.151 1.00 0.00 S ATOM 0 H CYS A 54 16.863 2.420 1.512 1.00 0.00 H new ATOM 0 HA CYS A 54 16.972 0.067 3.028 1.00 0.00 H new ATOM 0 HB2 CYS A 54 14.308 -0.144 2.858 1.00 0.00 H new ATOM 0 HB3 CYS A 54 15.108 0.456 4.297 1.00 0.00 H new ATOM 748 N LYS A 55 15.871 -1.204 1.010 1.00 0.00 N ATOM 749 CA LYS A 55 15.665 -1.875 -0.269 1.00 0.00 C ATOM 750 C LYS A 55 14.252 -1.617 -0.780 1.00 0.00 C ATOM 751 O LYS A 55 13.285 -2.125 -0.216 1.00 0.00 O ATOM 752 CB LYS A 55 15.919 -3.371 -0.112 1.00 0.00 C ATOM 753 CG LYS A 55 16.282 -4.043 -1.434 1.00 0.00 C ATOM 754 CD LYS A 55 16.434 -5.552 -1.255 1.00 0.00 C ATOM 755 CE LYS A 55 17.716 -5.901 -0.500 1.00 0.00 C ATOM 756 NZ LYS A 55 18.920 -5.776 -1.357 1.00 0.00 N ATOM 0 H LYS A 55 15.860 -1.834 1.812 1.00 0.00 H new ATOM 0 HA LYS A 55 16.368 -1.476 -1.000 1.00 0.00 H new ATOM 0 HB2 LYS A 55 16.726 -3.526 0.605 1.00 0.00 H new ATOM 0 HB3 LYS A 55 15.029 -3.846 0.301 1.00 0.00 H new ATOM 0 HG2 LYS A 55 15.510 -3.837 -2.175 1.00 0.00 H new ATOM 0 HG3 LYS A 55 17.212 -3.623 -1.817 1.00 0.00 H new ATOM 0 HD2 LYS A 55 15.573 -5.943 -0.713 1.00 0.00 H new ATOM 0 HD3 LYS A 55 16.443 -6.036 -2.232 1.00 0.00 H new ATOM 0 HE2 LYS A 55 17.817 -5.245 0.364 1.00 0.00 H new ATOM 0 HE3 LYS A 55 17.646 -6.920 -0.120 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 19.760 -6.071 -0.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 18.814 -6.383 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 19.031 -4.787 -1.658 1.00 0.00 H new ATOM 770 N GLU A 56 14.139 -0.896 -1.873 1.00 0.00 N ATOM 771 CA GLU A 56 12.866 -0.549 -2.478 1.00 0.00 C ATOM 772 C GLU A 56 12.870 -0.865 -3.967 1.00 0.00 C ATOM 773 O GLU A 56 13.810 -0.552 -4.703 1.00 0.00 O ATOM 774 CB GLU A 56 12.524 0.925 -2.247 1.00 0.00 C ATOM 775 CG GLU A 56 13.528 1.888 -2.850 1.00 0.00 C ATOM 776 CD GLU A 56 14.857 1.888 -2.120 1.00 0.00 C ATOM 777 OE1 GLU A 56 14.943 2.669 -1.151 1.00 0.00 O ATOM 778 OE2 GLU A 56 15.765 1.149 -2.582 1.00 0.00 O ATOM 0 H GLU A 56 14.944 -0.526 -2.379 1.00 0.00 H new ATOM 0 HA GLU A 56 12.097 -1.154 -1.997 1.00 0.00 H new ATOM 0 HB2 GLU A 56 11.540 1.130 -2.668 1.00 0.00 H new ATOM 0 HB3 GLU A 56 12.457 1.109 -1.175 1.00 0.00 H new ATOM 0 HG2 GLU A 56 13.693 1.626 -3.895 1.00 0.00 H new ATOM 0 HG3 GLU A 56 13.111 2.895 -2.836 1.00 0.00 H new ATOM 785 N LEU A 57 11.817 -1.524 -4.441 1.00 0.00 N ATOM 786 CA LEU A 57 11.690 -1.872 -5.846 1.00 0.00 C ATOM 787 C LEU A 57 11.188 -0.687 -6.645 1.00 0.00 C ATOM 788 O LEU A 57 10.185 -0.081 -6.304 1.00 0.00 O ATOM 789 CB LEU A 57 10.764 -3.078 -5.999 1.00 0.00 C ATOM 790 CG LEU A 57 10.463 -3.502 -7.440 1.00 0.00 C ATOM 791 CD1 LEU A 57 11.753 -3.647 -8.238 1.00 0.00 C ATOM 792 CD2 LEU A 57 9.682 -4.810 -7.457 1.00 0.00 C ATOM 0 H LEU A 57 11.034 -1.829 -3.863 1.00 0.00 H new ATOM 0 HA LEU A 57 12.671 -2.140 -6.238 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.209 -3.924 -5.476 1.00 0.00 H new ATOM 0 HB3 LEU A 57 9.821 -2.855 -5.500 1.00 0.00 H new ATOM 0 HG LEU A 57 9.855 -2.726 -7.905 1.00 0.00 H new ATOM 0 HD11 LEU A 57 11.518 -3.949 -9.259 1.00 0.00 H new ATOM 0 HD12 LEU A 57 12.280 -2.693 -8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.385 -4.403 -7.773 1.00 0.00 H new ATOM 0 HD21 LEU A 57 9.476 -5.097 -8.488 1.00 0.00 H new ATOM 0 HD22 LEU A 57 10.269 -5.591 -6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 57 8.741 -4.679 -6.922 1.00 0.00 H new ATOM 804 N GLN A 58 11.842 -0.399 -7.767 1.00 0.00 N ATOM 805 CA GLN A 58 11.445 0.691 -8.645 1.00 0.00 C ATOM 806 C GLN A 58 9.991 0.553 -9.089 1.00 0.00 C ATOM 807 O GLN A 58 9.259 1.534 -9.153 1.00 0.00 O ATOM 808 CB GLN A 58 12.351 0.742 -9.876 1.00 0.00 C ATOM 809 CG GLN A 58 13.808 1.055 -9.549 1.00 0.00 C ATOM 810 CD GLN A 58 13.960 2.291 -8.684 1.00 0.00 C ATOM 811 OE1 GLN A 58 13.834 3.416 -9.132 1.00 0.00 O ATOM 812 NE2 GLN A 58 14.210 2.083 -7.408 1.00 0.00 N ATOM 0 H GLN A 58 12.660 -0.915 -8.090 1.00 0.00 H new ATOM 0 HA GLN A 58 11.545 1.617 -8.079 1.00 0.00 H new ATOM 0 HB2 GLN A 58 12.301 -0.216 -10.393 1.00 0.00 H new ATOM 0 HB3 GLN A 58 11.972 1.497 -10.565 1.00 0.00 H new ATOM 0 HG2 GLN A 58 14.253 0.201 -9.038 1.00 0.00 H new ATOM 0 HG3 GLN A 58 14.363 1.195 -10.477 1.00 0.00 H new ATOM 0 HE21 GLN A 58 14.311 1.131 -7.057 1.00 0.00 H new ATOM 0 HE22 GLN A 58 14.302 2.874 -6.771 1.00 0.00 H new ATOM 821 N ALA A 59 9.573 -0.682 -9.368 1.00 0.00 N ATOM 822 CA ALA A 59 8.207 -0.962 -9.772 1.00 0.00 C ATOM 823 C ALA A 59 7.225 -0.760 -8.620 1.00 0.00 C ATOM 824 O ALA A 59 6.079 -0.394 -8.832 1.00 0.00 O ATOM 825 CB ALA A 59 8.108 -2.386 -10.312 1.00 0.00 C ATOM 0 H ALA A 59 10.171 -1.507 -9.319 1.00 0.00 H new ATOM 0 HA ALA A 59 7.937 -0.257 -10.559 1.00 0.00 H new ATOM 0 HB1 ALA A 59 7.081 -2.590 -10.613 1.00 0.00 H new ATOM 0 HB2 ALA A 59 8.767 -2.495 -11.173 1.00 0.00 H new ATOM 0 HB3 ALA A 59 8.405 -3.091 -9.536 1.00 0.00 H new ATOM 831 N GLU A 60 7.680 -1.017 -7.396 1.00 0.00 N ATOM 832 CA GLU A 60 6.859 -0.850 -6.209 1.00 0.00 C ATOM 833 C GLU A 60 6.765 0.608 -5.798 1.00 0.00 C ATOM 834 O GLU A 60 5.726 1.062 -5.350 1.00 0.00 O ATOM 835 CB GLU A 60 7.434 -1.666 -5.053 1.00 0.00 C ATOM 836 CG GLU A 60 6.399 -2.007 -3.997 1.00 0.00 C ATOM 837 CD GLU A 60 6.731 -3.334 -3.325 1.00 0.00 C ATOM 838 OE1 GLU A 60 7.759 -3.430 -2.628 1.00 0.00 O ATOM 839 OE2 GLU A 60 5.928 -4.270 -3.524 1.00 0.00 O ATOM 0 H GLU A 60 8.626 -1.346 -7.204 1.00 0.00 H new ATOM 0 HA GLU A 60 5.857 -1.205 -6.449 1.00 0.00 H new ATOM 0 HB2 GLU A 60 7.863 -2.588 -5.444 1.00 0.00 H new ATOM 0 HB3 GLU A 60 8.247 -1.107 -4.590 1.00 0.00 H new ATOM 0 HG2 GLU A 60 6.361 -1.215 -3.249 1.00 0.00 H new ATOM 0 HG3 GLU A 60 5.411 -2.062 -4.454 1.00 0.00 H new ATOM 846 N SER A 61 7.846 1.361 -5.954 1.00 0.00 N ATOM 847 CA SER A 61 7.898 2.769 -5.600 1.00 0.00 C ATOM 848 C SER A 61 6.742 3.529 -6.238 1.00 0.00 C ATOM 849 O SER A 61 6.149 4.404 -5.610 1.00 0.00 O ATOM 850 CB SER A 61 9.220 3.390 -6.051 1.00 0.00 C ATOM 851 OG SER A 61 10.328 2.660 -5.571 1.00 0.00 O ATOM 0 H SER A 61 8.722 1.004 -6.335 1.00 0.00 H new ATOM 0 HA SER A 61 7.818 2.842 -4.515 1.00 0.00 H new ATOM 0 HB2 SER A 61 9.252 3.427 -7.140 1.00 0.00 H new ATOM 0 HB3 SER A 61 9.280 4.419 -5.695 1.00 0.00 H new ATOM 0 HG SER A 61 10.328 1.765 -5.971 1.00 0.00 H new ATOM 857 N ALA A 62 6.395 3.159 -7.474 1.00 0.00 N ATOM 858 CA ALA A 62 5.284 3.771 -8.184 1.00 0.00 C ATOM 859 C ALA A 62 3.976 3.671 -7.399 1.00 0.00 C ATOM 860 O ALA A 62 3.121 4.539 -7.523 1.00 0.00 O ATOM 861 CB ALA A 62 5.120 3.124 -9.554 1.00 0.00 C ATOM 0 H ALA A 62 6.877 2.431 -8.002 1.00 0.00 H new ATOM 0 HA ALA A 62 5.515 4.829 -8.304 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.285 3.589 -10.078 1.00 0.00 H new ATOM 0 HB2 ALA A 62 6.034 3.261 -10.133 1.00 0.00 H new ATOM 0 HB3 ALA A 62 4.924 2.059 -9.432 1.00 0.00 H new ATOM 867 N SER A 63 3.849 2.639 -6.574 1.00 0.00 N ATOM 868 CA SER A 63 2.676 2.418 -5.754 1.00 0.00 C ATOM 869 C SER A 63 2.407 3.621 -4.859 1.00 0.00 C ATOM 870 O SER A 63 1.343 4.226 -4.920 1.00 0.00 O ATOM 871 CB SER A 63 2.841 1.163 -4.901 1.00 0.00 C ATOM 872 OG SER A 63 3.211 0.051 -5.698 1.00 0.00 O ATOM 0 H SER A 63 4.569 1.926 -6.458 1.00 0.00 H new ATOM 0 HA SER A 63 1.824 2.280 -6.420 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.599 1.336 -4.137 1.00 0.00 H new ATOM 0 HB3 SER A 63 1.908 0.947 -4.381 1.00 0.00 H new ATOM 0 HG SER A 63 4.182 0.051 -5.829 1.00 0.00 H new ATOM 878 N CYS A 64 3.389 3.974 -4.024 1.00 0.00 N ATOM 879 CA CYS A 64 3.268 5.111 -3.128 1.00 0.00 C ATOM 880 C CYS A 64 3.046 6.406 -3.908 1.00 0.00 C ATOM 881 O CYS A 64 2.297 7.277 -3.474 1.00 0.00 O ATOM 882 CB CYS A 64 4.517 5.224 -2.252 1.00 0.00 C ATOM 883 SG CYS A 64 4.596 4.047 -0.882 1.00 0.00 S ATOM 0 H CYS A 64 4.279 3.480 -3.956 1.00 0.00 H new ATOM 0 HA CYS A 64 2.399 4.951 -2.489 1.00 0.00 H new ATOM 0 HB2 CYS A 64 5.397 5.087 -2.880 1.00 0.00 H new ATOM 0 HB3 CYS A 64 4.568 6.235 -1.847 1.00 0.00 H new ATOM 888 N GLY A 65 3.713 6.538 -5.052 1.00 0.00 N ATOM 889 CA GLY A 65 3.585 7.715 -5.880 1.00 0.00 C ATOM 890 C GLY A 65 4.908 8.430 -6.052 1.00 0.00 C ATOM 891 O GLY A 65 5.986 7.846 -5.952 1.00 0.00 O ATOM 0 H GLY A 65 4.351 5.833 -5.421 1.00 0.00 H new ATOM 0 HA2 GLY A 65 3.196 7.431 -6.858 1.00 0.00 H new ATOM 0 HA3 GLY A 65 2.860 8.396 -5.434 1.00 0.00 H new ATOM 895 N LYS A 66 4.841 9.726 -6.357 1.00 0.00 N ATOM 896 CA LYS A 66 6.027 10.557 -6.542 1.00 0.00 C ATOM 897 C LYS A 66 6.471 11.178 -5.229 1.00 0.00 C ATOM 898 O LYS A 66 5.667 11.752 -4.503 1.00 0.00 O ATOM 899 CB LYS A 66 5.760 11.635 -7.590 1.00 0.00 C ATOM 900 CG LYS A 66 4.659 12.615 -7.181 1.00 0.00 C ATOM 901 CD LYS A 66 4.070 13.321 -8.399 1.00 0.00 C ATOM 902 CE LYS A 66 2.624 13.741 -8.150 1.00 0.00 C ATOM 903 NZ LYS A 66 1.884 13.950 -9.418 1.00 0.00 N ATOM 0 H LYS A 66 3.962 10.228 -6.482 1.00 0.00 H new ATOM 0 HA LYS A 66 6.837 9.921 -6.898 1.00 0.00 H new ATOM 0 HB2 LYS A 66 6.680 12.189 -7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 66 5.482 11.158 -8.530 1.00 0.00 H new ATOM 0 HG2 LYS A 66 3.871 12.080 -6.651 1.00 0.00 H new ATOM 0 HG3 LYS A 66 5.064 13.354 -6.489 1.00 0.00 H new ATOM 0 HD2 LYS A 66 4.670 14.199 -8.639 1.00 0.00 H new ATOM 0 HD3 LYS A 66 4.115 12.658 -9.263 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.121 12.977 -7.557 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.608 14.660 -7.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 0.906 14.234 -9.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 2.349 14.697 -9.972 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 1.877 13.066 -9.966 1.00 0.00 H new ATOM 917 N GLY A 67 7.765 11.097 -4.951 1.00 0.00 N ATOM 918 CA GLY A 67 8.309 11.660 -3.724 1.00 0.00 C ATOM 919 C GLY A 67 8.312 10.676 -2.570 1.00 0.00 C ATOM 920 O GLY A 67 8.493 11.064 -1.420 1.00 0.00 O ATOM 0 H GLY A 67 8.454 10.649 -5.555 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.328 11.999 -3.907 1.00 0.00 H new ATOM 0 HA3 GLY A 67 7.726 12.538 -3.444 1.00 0.00 H new ATOM 924 N GLN A 68 8.104 9.397 -2.867 1.00 0.00 N ATOM 925 CA GLN A 68 8.080 8.348 -1.862 1.00 0.00 C ATOM 926 C GLN A 68 8.678 7.059 -2.404 1.00 0.00 C ATOM 927 O GLN A 68 8.604 6.778 -3.600 1.00 0.00 O ATOM 928 CB GLN A 68 6.643 8.104 -1.396 1.00 0.00 C ATOM 929 CG GLN A 68 6.074 9.239 -0.549 1.00 0.00 C ATOM 930 CD GLN A 68 6.578 9.210 0.878 1.00 0.00 C ATOM 931 OE1 GLN A 68 5.960 8.653 1.766 1.00 0.00 O ATOM 932 NE2 GLN A 68 7.727 9.804 1.109 1.00 0.00 N ATOM 0 H GLN A 68 7.947 9.061 -3.817 1.00 0.00 H new ATOM 0 HA GLN A 68 8.683 8.673 -1.014 1.00 0.00 H new ATOM 0 HB2 GLN A 68 6.007 7.959 -2.269 1.00 0.00 H new ATOM 0 HB3 GLN A 68 6.609 7.179 -0.820 1.00 0.00 H new ATOM 0 HG2 GLN A 68 6.337 10.194 -1.004 1.00 0.00 H new ATOM 0 HG3 GLN A 68 4.986 9.176 -0.547 1.00 0.00 H new ATOM 0 HE21 GLN A 68 8.226 10.264 0.347 1.00 0.00 H new ATOM 0 HE22 GLN A 68 8.120 9.805 2.050 1.00 0.00 H new ATOM 941 N LYS A 69 9.273 6.268 -1.521 1.00 0.00 N ATOM 942 CA LYS A 69 9.896 4.999 -1.878 1.00 0.00 C ATOM 943 C LYS A 69 9.389 3.864 -1.001 1.00 0.00 C ATOM 944 O LYS A 69 9.478 3.911 0.216 1.00 0.00 O ATOM 945 CB LYS A 69 11.416 5.104 -1.764 1.00 0.00 C ATOM 946 CG LYS A 69 12.046 5.987 -2.830 1.00 0.00 C ATOM 947 CD LYS A 69 12.413 5.209 -4.083 1.00 0.00 C ATOM 948 CE LYS A 69 12.763 6.140 -5.238 1.00 0.00 C ATOM 949 NZ LYS A 69 14.117 6.727 -5.092 1.00 0.00 N ATOM 0 H LYS A 69 9.338 6.491 -0.528 1.00 0.00 H new ATOM 0 HA LYS A 69 9.626 4.777 -2.910 1.00 0.00 H new ATOM 0 HB2 LYS A 69 11.672 5.497 -0.780 1.00 0.00 H new ATOM 0 HB3 LYS A 69 11.847 4.105 -1.830 1.00 0.00 H new ATOM 0 HG2 LYS A 69 11.353 6.787 -3.092 1.00 0.00 H new ATOM 0 HG3 LYS A 69 12.940 6.460 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 69 13.260 4.556 -3.872 1.00 0.00 H new ATOM 0 HD3 LYS A 69 11.580 4.568 -4.371 1.00 0.00 H new ATOM 0 HE2 LYS A 69 12.707 5.589 -6.177 1.00 0.00 H new ATOM 0 HE3 LYS A 69 12.026 6.941 -5.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.313 7.353 -5.899 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.165 7.275 -4.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 14.825 5.965 -5.065 1.00 0.00 H new ATOM 963 N CYS A 70 8.823 2.839 -1.621 1.00 0.00 N ATOM 964 CA CYS A 70 8.306 1.681 -0.904 1.00 0.00 C ATOM 965 C CYS A 70 9.428 0.735 -0.491 1.00 0.00 C ATOM 966 O CYS A 70 10.031 0.091 -1.341 1.00 0.00 O ATOM 967 CB CYS A 70 7.276 0.939 -1.755 1.00 0.00 C ATOM 968 SG CYS A 70 5.969 0.139 -0.785 1.00 0.00 S ATOM 0 H CYS A 70 8.709 2.786 -2.633 1.00 0.00 H new ATOM 0 HA CYS A 70 7.821 2.043 0.002 1.00 0.00 H new ATOM 0 HB2 CYS A 70 6.820 1.642 -2.453 1.00 0.00 H new ATOM 0 HB3 CYS A 70 7.787 0.184 -2.352 1.00 0.00 H new ATOM 973 N CYS A 71 9.703 0.651 0.799 1.00 0.00 N ATOM 974 CA CYS A 71 10.729 -0.228 1.327 1.00 0.00 C ATOM 975 C CYS A 71 10.131 -1.515 1.881 1.00 0.00 C ATOM 976 O CYS A 71 8.942 -1.598 2.166 1.00 0.00 O ATOM 977 CB CYS A 71 11.533 0.504 2.400 1.00 0.00 C ATOM 978 SG CYS A 71 12.502 1.892 1.759 1.00 0.00 S ATOM 0 H CYS A 71 9.217 1.194 1.513 1.00 0.00 H new ATOM 0 HA CYS A 71 11.396 -0.507 0.511 1.00 0.00 H new ATOM 0 HB2 CYS A 71 10.850 0.872 3.166 1.00 0.00 H new ATOM 0 HB3 CYS A 71 12.205 -0.204 2.885 1.00 0.00 H new ATOM 983 N VAL A 72 10.966 -2.531 2.060 1.00 0.00 N ATOM 984 CA VAL A 72 10.545 -3.818 2.602 1.00 0.00 C ATOM 985 C VAL A 72 11.279 -4.130 3.892 1.00 0.00 C ATOM 986 O VAL A 72 12.473 -3.850 4.022 1.00 0.00 O ATOM 987 CB VAL A 72 10.745 -4.938 1.578 1.00 0.00 C ATOM 988 CG1 VAL A 72 12.229 -5.235 1.378 1.00 0.00 C ATOM 989 CG2 VAL A 72 10.014 -6.205 2.022 1.00 0.00 C ATOM 0 H VAL A 72 11.959 -2.486 1.832 1.00 0.00 H new ATOM 0 HA VAL A 72 9.480 -3.753 2.826 1.00 0.00 H new ATOM 0 HB VAL A 72 10.328 -4.603 0.628 1.00 0.00 H new ATOM 0 HG11 VAL A 72 12.345 -6.034 0.646 1.00 0.00 H new ATOM 0 HG12 VAL A 72 12.734 -4.338 1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 72 12.669 -5.545 2.326 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.167 -6.991 1.283 1.00 0.00 H new ATOM 0 HG22 VAL A 72 10.405 -6.532 2.985 1.00 0.00 H new ATOM 0 HG23 VAL A 72 8.948 -5.996 2.115 1.00 0.00 H new ATOM 999 N TRP A 73 10.590 -4.775 4.822 1.00 0.00 N ATOM 1000 CA TRP A 73 11.168 -5.169 6.097 1.00 0.00 C ATOM 1001 C TRP A 73 10.956 -6.652 6.358 1.00 0.00 C ATOM 1002 O TRP A 73 10.347 -7.364 5.563 1.00 0.00 O ATOM 1003 CB TRP A 73 10.565 -4.330 7.225 1.00 0.00 C ATOM 1004 CG TRP A 73 10.459 -2.880 6.923 1.00 0.00 C ATOM 1005 CD1 TRP A 73 9.329 -2.142 6.863 1.00 0.00 C ATOM 1006 CD2 TRP A 73 11.546 -1.990 6.602 1.00 0.00 C ATOM 1007 NE1 TRP A 73 9.645 -0.842 6.534 1.00 0.00 N ATOM 1008 CE2 TRP A 73 10.992 -0.702 6.363 1.00 0.00 C ATOM 1009 CE3 TRP A 73 12.940 -2.146 6.497 1.00 0.00 C ATOM 1010 CZ2 TRP A 73 11.777 0.390 6.038 1.00 0.00 C ATOM 1011 CZ3 TRP A 73 13.731 -1.044 6.162 1.00 0.00 C ATOM 1012 CH2 TRP A 73 13.152 0.211 5.942 1.00 0.00 C ATOM 0 H TRP A 73 9.611 -5.040 4.713 1.00 0.00 H new ATOM 0 HA TRP A 73 12.242 -4.989 6.060 1.00 0.00 H new ATOM 0 HB2 TRP A 73 9.571 -4.714 7.455 1.00 0.00 H new ATOM 0 HB3 TRP A 73 11.172 -4.458 8.121 1.00 0.00 H new ATOM 0 HD1 TRP A 73 8.331 -2.514 7.045 1.00 0.00 H new ATOM 0 HE1 TRP A 73 8.966 -0.088 6.432 1.00 0.00 H new ATOM 0 HE3 TRP A 73 13.395 -3.109 6.674 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 11.332 1.358 5.863 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 14.801 -1.162 6.072 1.00 0.00 H new ATOM 0 HH2 TRP A 73 13.782 1.052 5.694 1.00 0.00 H new ATOM 1023 N LEU A 74 11.462 -7.129 7.485 1.00 0.00 N ATOM 1024 CA LEU A 74 11.362 -8.524 7.880 1.00 0.00 C ATOM 1025 C LEU A 74 10.950 -8.654 9.339 1.00 0.00 C ATOM 1026 O LEU A 74 11.032 -7.691 10.099 1.00 0.00 O ATOM 1027 CB LEU A 74 12.682 -9.261 7.620 1.00 0.00 C ATOM 1028 CG LEU A 74 13.899 -8.704 8.367 1.00 0.00 C ATOM 1029 CD1 LEU A 74 15.063 -9.685 8.276 1.00 0.00 C ATOM 1030 CD2 LEU A 74 14.319 -7.356 7.784 1.00 0.00 C ATOM 0 H LEU A 74 11.961 -6.549 8.160 1.00 0.00 H new ATOM 0 HA LEU A 74 10.587 -8.988 7.271 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.555 -10.308 7.895 1.00 0.00 H new ATOM 0 HB3 LEU A 74 12.889 -9.235 6.550 1.00 0.00 H new ATOM 0 HG LEU A 74 13.624 -8.564 9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 74 15.923 -9.280 8.810 1.00 0.00 H new ATOM 0 HD12 LEU A 74 14.773 -10.636 8.723 1.00 0.00 H new ATOM 0 HD13 LEU A 74 15.326 -9.841 7.230 1.00 0.00 H new ATOM 0 HD21 LEU A 74 15.184 -6.978 8.328 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.577 -7.479 6.732 1.00 0.00 H new ATOM 0 HD23 LEU A 74 13.495 -6.648 7.875 1.00 0.00 H new ATOM 1042 N HIS A 75 10.486 -9.840 9.714 1.00 0.00 N ATOM 1043 CA HIS A 75 10.096 -10.128 11.090 1.00 0.00 C ATOM 1044 C HIS A 75 11.200 -10.877 11.862 1.00 0.00 C ATOM 1045 O HIS A 75 10.972 -11.170 13.051 1.00 0.00 O ATOM 1046 CB HIS A 75 8.785 -10.917 11.085 1.00 0.00 C ATOM 1047 CG HIS A 75 7.586 -10.105 10.690 1.00 0.00 C ATOM 1048 ND1 HIS A 75 6.865 -9.336 11.567 1.00 0.00 N ATOM 1049 CD2 HIS A 75 7.005 -9.985 9.460 1.00 0.00 C ATOM 1050 CE1 HIS A 75 5.864 -8.750 10.900 1.00 0.00 C ATOM 1051 NE2 HIS A 75 5.930 -9.131 9.615 1.00 0.00 N ATOM 1052 OXT HIS A 75 12.236 -11.194 11.250 1.00 0.00 O ATOM 0 H HIS A 75 10.370 -10.627 9.076 1.00 0.00 H new ATOM 0 HA HIS A 75 9.947 -9.184 11.613 1.00 0.00 H new ATOM 0 HB2 HIS A 75 8.882 -11.759 10.400 1.00 0.00 H new ATOM 0 HB3 HIS A 75 8.619 -11.332 12.079 1.00 0.00 H new ATOM 0 HD2 HIS A 75 7.323 -10.464 8.546 1.00 0.00 H new ATOM 0 HE1 HIS A 75 5.128 -8.083 11.324 1.00 0.00 H new ATOM 0 HE2 HIS A 75 5.292 -8.838 8.875 1.00 0.00 H new TER 1061 HIS A 75