USER MOD reduce.3.24.130724 H: found=0, std=0, add=434, 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 4 HIS : no HE2:sc= -4.4 K(o=-7.1,f=-8.7!) USER MOD Set 1.2: A 62 ASN : amide:sc= -2.73 K(o=-7.1,f=-9.6!) USER MOD Set 2.1: A 7 GLN : amide:sc= -2.12 K(o=-2.1,f=-0.54) USER MOD Set 2.2: A 10 GLN : amide:sc= 0 K(o=-2.1,f=-0.54) USER MOD Set 3.1: A 5 ASN : amide:sc= -0.0609 K(o=1.2,f=-9.3!) USER MOD Set 3.2: A 13 THR OG1 : rot 72:sc= 1.25 USER MOD Single : A 1 LEU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 GLN : amide:sc= -2.9 K(o=-2.9,f=-8.9!) USER MOD Single : A 8 SER OG : rot 65:sc= 0.107 USER MOD Single : A 9 SER OG : rot 42:sc= 1.2 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0.0771 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= -1.49 K(o=-1.5,f=-4!) USER MOD Single : A 23 ASN : amide:sc= -1.21 K(o=-1.2,f=-0.36) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ -176:sc= -0.262 (180deg=-0.282) USER MOD Single : A 32 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 1:sc= 0.642 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.979 K(o=-0.98,f=-4.5!) USER MOD Single : A 56 THR OG1 : rot -61:sc= 0.291 USER MOD Single : A 57 THR OG1 : rot 180:sc= -1.29 USER MOD Single : A 61 ASN : amide:sc= -4.74! C(o=-4.7!,f=-13!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.297 14.609 0.808 1.00 0.00 N ATOM 2 CA LEU A 1 1.136 13.396 -0.037 1.00 0.00 C ATOM 3 C LEU A 1 -0.060 12.564 0.415 1.00 0.00 C ATOM 4 O LEU A 1 -0.238 12.312 1.607 1.00 0.00 O ATOM 5 CB LEU A 1 2.419 12.569 0.048 1.00 0.00 C ATOM 6 CG LEU A 1 2.664 11.630 -1.135 1.00 0.00 C ATOM 7 CD1 LEU A 1 4.137 11.614 -1.511 1.00 0.00 C ATOM 8 CD2 LEU A 1 2.182 10.224 -0.807 1.00 0.00 C ATOM 0 H1 LEU A 1 2.118 15.156 0.478 1.00 0.00 H new ATOM 0 H2 LEU A 1 0.441 15.195 0.740 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.445 14.326 1.798 1.00 0.00 H new ATOM 0 HA LEU A 1 0.953 13.699 -1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.266 13.249 0.134 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.391 11.977 0.963 1.00 0.00 H new ATOM 0 HG LEU A 1 2.097 11.999 -1.989 1.00 0.00 H new ATOM 0 HD11 LEU A 1 4.290 10.940 -2.354 1.00 0.00 H new ATOM 0 HD12 LEU A 1 4.453 12.620 -1.788 1.00 0.00 H new ATOM 0 HD13 LEU A 1 4.726 11.270 -0.661 1.00 0.00 H new ATOM 0 HD21 LEU A 1 2.364 9.569 -1.659 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.722 9.848 0.062 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.114 10.247 -0.588 1.00 0.00 H new ATOM 22 N GLU A 2 -0.875 12.139 -0.545 1.00 0.00 N ATOM 23 CA GLU A 2 -2.054 11.333 -0.245 1.00 0.00 C ATOM 24 C GLU A 2 -1.954 9.958 -0.898 1.00 0.00 C ATOM 25 O GLU A 2 -1.142 9.744 -1.799 1.00 0.00 O ATOM 26 CB GLU A 2 -3.319 12.047 -0.725 1.00 0.00 C ATOM 27 CG GLU A 2 -3.397 13.502 -0.292 1.00 0.00 C ATOM 28 CD GLU A 2 -4.351 13.713 0.868 1.00 0.00 C ATOM 29 OE1 GLU A 2 -5.451 13.121 0.849 1.00 0.00 O ATOM 30 OE2 GLU A 2 -3.998 14.471 1.796 1.00 0.00 O ATOM 0 H GLU A 2 -0.741 12.339 -1.536 1.00 0.00 H new ATOM 0 HA GLU A 2 -2.107 11.199 0.835 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -3.364 11.997 -1.813 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -4.192 11.516 -0.346 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -2.403 13.847 -0.008 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -3.717 14.112 -1.137 1.00 0.00 H new ATOM 37 N CYS A 3 -2.785 9.029 -0.437 1.00 0.00 N ATOM 38 CA CYS A 3 -2.792 7.674 -0.975 1.00 0.00 C ATOM 39 C CYS A 3 -4.152 7.014 -0.772 1.00 0.00 C ATOM 40 O CYS A 3 -4.899 7.372 0.138 1.00 0.00 O ATOM 41 CB CYS A 3 -1.702 6.834 -0.311 1.00 0.00 C ATOM 42 SG CYS A 3 -0.191 6.654 -1.312 1.00 0.00 S ATOM 0 H CYS A 3 -3.462 9.190 0.308 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.594 7.735 -2.045 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -1.440 7.288 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.102 5.843 -0.095 1.00 0.00 H new ATOM 47 N HIS A 4 -4.465 6.045 -1.627 1.00 0.00 N ATOM 48 CA HIS A 4 -5.726 5.332 -1.549 1.00 0.00 C ATOM 49 C HIS A 4 -5.676 4.257 -0.468 1.00 0.00 C ATOM 50 O HIS A 4 -4.615 3.704 -0.178 1.00 0.00 O ATOM 51 CB HIS A 4 -6.041 4.700 -2.902 1.00 0.00 C ATOM 52 CG HIS A 4 -6.225 5.699 -4.000 1.00 0.00 C ATOM 53 ND1 HIS A 4 -7.441 6.280 -4.293 1.00 0.00 N ATOM 54 CD2 HIS A 4 -5.339 6.222 -4.881 1.00 0.00 C ATOM 55 CE1 HIS A 4 -7.295 7.116 -5.306 1.00 0.00 C ATOM 56 NE2 HIS A 4 -6.029 7.100 -5.681 1.00 0.00 N ATOM 0 H HIS A 4 -3.855 5.738 -2.385 1.00 0.00 H new ATOM 0 HA HIS A 4 -6.512 6.041 -1.287 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -5.234 4.019 -3.173 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -6.947 4.100 -2.812 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -8.317 6.094 -3.804 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -4.286 5.992 -4.943 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -8.078 7.711 -5.752 1.00 0.00 H new ATOM 65 N ASN A 5 -6.829 3.963 0.123 1.00 0.00 N ATOM 66 CA ASN A 5 -6.914 2.952 1.172 1.00 0.00 C ATOM 67 C ASN A 5 -7.974 1.900 0.846 1.00 0.00 C ATOM 68 O ASN A 5 -8.249 1.016 1.657 1.00 0.00 O ATOM 69 CB ASN A 5 -7.230 3.609 2.516 1.00 0.00 C ATOM 70 CG ASN A 5 -8.473 4.459 2.467 1.00 0.00 C ATOM 71 OD1 ASN A 5 -9.128 4.573 1.432 1.00 0.00 O ATOM 72 ND2 ASN A 5 -8.801 5.062 3.597 1.00 0.00 N ATOM 0 H ASN A 5 -7.717 4.410 -0.106 1.00 0.00 H new ATOM 0 HA ASN A 5 -5.947 2.453 1.233 1.00 0.00 H new ATOM 0 HB2 ASN A 5 -7.353 2.836 3.274 1.00 0.00 H new ATOM 0 HB3 ASN A 5 -6.385 4.225 2.823 1.00 0.00 H new ATOM 0 HD21 ASN A 5 -9.631 5.654 3.637 1.00 0.00 H new ATOM 0 HD22 ASN A 5 -8.224 4.935 4.429 1.00 0.00 H new ATOM 79 N GLN A 6 -8.568 1.997 -0.342 1.00 0.00 N ATOM 80 CA GLN A 6 -9.593 1.050 -0.761 1.00 0.00 C ATOM 81 C GLN A 6 -8.974 -0.273 -1.198 1.00 0.00 C ATOM 82 O GLN A 6 -7.785 -0.344 -1.508 1.00 0.00 O ATOM 83 CB GLN A 6 -10.422 1.636 -1.905 1.00 0.00 C ATOM 84 CG GLN A 6 -11.667 0.826 -2.230 1.00 0.00 C ATOM 85 CD GLN A 6 -11.457 -0.126 -3.392 1.00 0.00 C ATOM 86 OE1 GLN A 6 -10.344 -0.592 -3.634 1.00 0.00 O ATOM 87 NE2 GLN A 6 -12.530 -0.419 -4.118 1.00 0.00 N ATOM 0 H GLN A 6 -8.356 2.721 -1.028 1.00 0.00 H new ATOM 0 HA GLN A 6 -10.242 0.861 0.094 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -10.717 2.653 -1.645 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -9.799 1.703 -2.797 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -11.966 0.258 -1.349 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -12.487 1.505 -2.465 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -13.434 -0.009 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -12.450 -1.054 -4.913 1.00 0.00 H new ATOM 96 N GLN A 7 -9.795 -1.315 -1.226 1.00 0.00 N ATOM 97 CA GLN A 7 -9.346 -2.641 -1.630 1.00 0.00 C ATOM 98 C GLN A 7 -10.489 -3.416 -2.275 1.00 0.00 C ATOM 99 O GLN A 7 -11.574 -2.875 -2.484 1.00 0.00 O ATOM 100 CB GLN A 7 -8.801 -3.406 -0.424 1.00 0.00 C ATOM 101 CG GLN A 7 -9.693 -3.321 0.805 1.00 0.00 C ATOM 102 CD GLN A 7 -9.970 -4.680 1.420 1.00 0.00 C ATOM 103 OE1 GLN A 7 -9.860 -4.857 2.633 1.00 0.00 O ATOM 104 NE2 GLN A 7 -10.331 -5.645 0.584 1.00 0.00 N ATOM 0 H GLN A 7 -10.782 -1.266 -0.972 1.00 0.00 H new ATOM 0 HA GLN A 7 -8.547 -2.528 -2.363 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.672 -4.453 -0.697 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -7.814 -3.017 -0.174 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -9.220 -2.679 1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -10.638 -2.851 0.532 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.409 -5.452 -0.415 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -10.530 -6.580 0.940 1.00 0.00 H new ATOM 113 N SER A 8 -10.244 -4.683 -2.592 1.00 0.00 N ATOM 114 CA SER A 8 -11.261 -5.524 -3.214 1.00 0.00 C ATOM 115 C SER A 8 -12.374 -5.858 -2.224 1.00 0.00 C ATOM 116 O SER A 8 -12.576 -7.019 -1.869 1.00 0.00 O ATOM 117 CB SER A 8 -10.630 -6.811 -3.749 1.00 0.00 C ATOM 118 OG SER A 8 -10.329 -7.708 -2.695 1.00 0.00 O ATOM 0 H SER A 8 -9.352 -5.150 -2.429 1.00 0.00 H new ATOM 0 HA SER A 8 -11.697 -4.970 -4.045 1.00 0.00 H new ATOM 0 HB2 SER A 8 -11.311 -7.288 -4.453 1.00 0.00 H new ATOM 0 HB3 SER A 8 -9.719 -6.572 -4.298 1.00 0.00 H new ATOM 0 HG SER A 8 -11.160 -7.999 -2.266 1.00 0.00 H new ATOM 124 N SER A 9 -13.095 -4.830 -1.779 1.00 0.00 N ATOM 125 CA SER A 9 -14.190 -5.010 -0.828 1.00 0.00 C ATOM 126 C SER A 9 -14.686 -3.666 -0.305 1.00 0.00 C ATOM 127 O SER A 9 -15.817 -3.262 -0.572 1.00 0.00 O ATOM 128 CB SER A 9 -13.745 -5.889 0.345 1.00 0.00 C ATOM 129 OG SER A 9 -14.065 -7.250 0.114 1.00 0.00 O ATOM 0 H SER A 9 -12.940 -3.863 -2.063 1.00 0.00 H new ATOM 0 HA SER A 9 -15.008 -5.503 -1.353 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.670 -5.785 0.494 1.00 0.00 H new ATOM 0 HB3 SER A 9 -14.228 -5.549 1.261 1.00 0.00 H new ATOM 0 HG SER A 9 -13.870 -7.478 -0.819 1.00 0.00 H new ATOM 135 N GLN A 10 -13.830 -2.979 0.448 1.00 0.00 N ATOM 136 CA GLN A 10 -14.175 -1.684 1.018 1.00 0.00 C ATOM 137 C GLN A 10 -14.420 -0.646 -0.073 1.00 0.00 C ATOM 138 O GLN A 10 -13.900 -0.762 -1.183 1.00 0.00 O ATOM 139 CB GLN A 10 -13.056 -1.213 1.945 1.00 0.00 C ATOM 140 CG GLN A 10 -13.022 -1.943 3.278 1.00 0.00 C ATOM 141 CD GLN A 10 -12.135 -1.255 4.297 1.00 0.00 C ATOM 142 OE1 GLN A 10 -12.530 -0.267 4.915 1.00 0.00 O ATOM 143 NE2 GLN A 10 -10.926 -1.777 4.478 1.00 0.00 N ATOM 0 H GLN A 10 -12.890 -3.301 0.677 1.00 0.00 H new ATOM 0 HA GLN A 10 -15.097 -1.797 1.588 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.098 -1.347 1.442 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.173 -0.145 2.128 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -14.035 -2.016 3.674 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -12.667 -2.962 3.121 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -10.640 -2.597 3.944 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -10.285 -1.357 5.151 1.00 0.00 H new ATOM 152 N THR A 11 -15.218 0.366 0.253 1.00 0.00 N ATOM 153 CA THR A 11 -15.538 1.424 -0.689 1.00 0.00 C ATOM 154 C THR A 11 -14.309 2.277 -0.999 1.00 0.00 C ATOM 155 O THR A 11 -13.311 2.228 -0.281 1.00 0.00 O ATOM 156 CB THR A 11 -16.659 2.306 -0.133 1.00 0.00 C ATOM 157 OG1 THR A 11 -16.656 2.284 1.284 1.00 0.00 O ATOM 158 CG2 THR A 11 -18.037 1.884 -0.595 1.00 0.00 C ATOM 0 H THR A 11 -15.655 0.472 1.168 1.00 0.00 H new ATOM 0 HA THR A 11 -15.873 0.959 -1.616 1.00 0.00 H new ATOM 0 HB THR A 11 -16.456 3.307 -0.514 1.00 0.00 H new ATOM 0 HG1 THR A 11 -17.378 2.854 1.622 1.00 0.00 H new ATOM 0 HG21 THR A 11 -18.785 2.550 -0.165 1.00 0.00 H new ATOM 0 HG22 THR A 11 -18.088 1.936 -1.683 1.00 0.00 H new ATOM 0 HG23 THR A 11 -18.232 0.862 -0.271 1.00 0.00 H new ATOM 166 N PRO A 12 -14.369 3.076 -2.081 1.00 0.00 N ATOM 167 CA PRO A 12 -13.258 3.944 -2.485 1.00 0.00 C ATOM 168 C PRO A 12 -13.091 5.143 -1.557 1.00 0.00 C ATOM 169 O PRO A 12 -14.049 5.866 -1.282 1.00 0.00 O ATOM 170 CB PRO A 12 -13.664 4.404 -3.885 1.00 0.00 C ATOM 171 CG PRO A 12 -15.152 4.350 -3.882 1.00 0.00 C ATOM 172 CD PRO A 12 -15.524 3.195 -2.992 1.00 0.00 C ATOM 0 HA PRO A 12 -12.300 3.425 -2.451 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -13.304 5.412 -4.091 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -13.245 3.753 -4.653 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -15.575 5.282 -3.508 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -15.539 4.206 -4.891 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -16.447 3.390 -2.446 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -15.679 2.281 -3.565 1.00 0.00 H new ATOM 180 N THR A 13 -11.868 5.351 -1.079 1.00 0.00 N ATOM 181 CA THR A 13 -11.577 6.463 -0.182 1.00 0.00 C ATOM 182 C THR A 13 -10.092 6.810 -0.205 1.00 0.00 C ATOM 183 O THR A 13 -9.261 5.997 -0.610 1.00 0.00 O ATOM 184 CB THR A 13 -12.012 6.124 1.244 1.00 0.00 C ATOM 185 OG1 THR A 13 -11.810 4.748 1.515 1.00 0.00 O ATOM 186 CG2 THR A 13 -13.468 6.437 1.518 1.00 0.00 C ATOM 0 H THR A 13 -11.063 4.764 -1.298 1.00 0.00 H new ATOM 0 HA THR A 13 -12.138 7.331 -0.529 1.00 0.00 H new ATOM 0 HB THR A 13 -11.396 6.750 1.890 1.00 0.00 H new ATOM 0 HG1 THR A 13 -10.851 4.570 1.606 1.00 0.00 H new ATOM 0 HG21 THR A 13 -13.710 6.172 2.547 1.00 0.00 H new ATOM 0 HG22 THR A 13 -13.646 7.501 1.366 1.00 0.00 H new ATOM 0 HG23 THR A 13 -14.098 5.863 0.838 1.00 0.00 H new ATOM 194 N THR A 14 -9.765 8.020 0.235 1.00 0.00 N ATOM 195 CA THR A 14 -8.380 8.476 0.265 1.00 0.00 C ATOM 196 C THR A 14 -7.981 8.906 1.674 1.00 0.00 C ATOM 197 O THR A 14 -8.718 9.628 2.345 1.00 0.00 O ATOM 198 CB THR A 14 -8.181 9.636 -0.710 1.00 0.00 C ATOM 199 OG1 THR A 14 -9.189 10.616 -0.538 1.00 0.00 O ATOM 200 CG2 THR A 14 -8.199 9.208 -2.162 1.00 0.00 C ATOM 0 H THR A 14 -10.441 8.704 0.576 1.00 0.00 H new ATOM 0 HA THR A 14 -7.743 7.645 -0.037 1.00 0.00 H new ATOM 0 HB THR A 14 -7.195 10.040 -0.479 1.00 0.00 H new ATOM 0 HG1 THR A 14 -9.042 11.350 -1.170 1.00 0.00 H new ATOM 0 HG21 THR A 14 -8.052 10.079 -2.800 1.00 0.00 H new ATOM 0 HG22 THR A 14 -7.399 8.490 -2.339 1.00 0.00 H new ATOM 0 HG23 THR A 14 -9.159 8.746 -2.393 1.00 0.00 H new ATOM 208 N THR A 15 -6.810 8.456 2.115 1.00 0.00 N ATOM 209 CA THR A 15 -6.314 8.794 3.443 1.00 0.00 C ATOM 210 C THR A 15 -4.931 9.434 3.361 1.00 0.00 C ATOM 211 O THR A 15 -3.920 8.740 3.264 1.00 0.00 O ATOM 212 CB THR A 15 -6.258 7.545 4.322 1.00 0.00 C ATOM 213 OG1 THR A 15 -5.725 7.852 5.599 1.00 0.00 O ATOM 214 CG2 THR A 15 -5.419 6.433 3.730 1.00 0.00 C ATOM 0 H THR A 15 -6.188 7.857 1.572 1.00 0.00 H new ATOM 0 HA THR A 15 -7.002 9.513 3.888 1.00 0.00 H new ATOM 0 HB THR A 15 -7.289 7.200 4.397 1.00 0.00 H new ATOM 0 HG1 THR A 15 -5.699 7.040 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 15 -5.422 5.577 4.404 1.00 0.00 H new ATOM 0 HG22 THR A 15 -5.834 6.137 2.766 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.396 6.783 3.592 1.00 0.00 H new ATOM 222 N GLY A 16 -4.897 10.763 3.396 1.00 0.00 N ATOM 223 CA GLY A 16 -3.644 11.473 3.320 1.00 0.00 C ATOM 224 C GLY A 16 -2.908 11.504 4.646 1.00 0.00 C ATOM 225 O GLY A 16 -3.529 11.551 5.707 1.00 0.00 O ATOM 0 H GLY A 16 -5.722 11.358 3.476 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -3.010 11.003 2.568 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.829 12.494 2.988 1.00 0.00 H new ATOM 229 N CYS A 17 -1.580 11.478 4.583 1.00 0.00 N ATOM 230 CA CYS A 17 -0.758 11.504 5.788 1.00 0.00 C ATOM 231 C CYS A 17 0.329 12.570 5.681 1.00 0.00 C ATOM 232 O CYS A 17 0.633 13.052 4.591 1.00 0.00 O ATOM 233 CB CYS A 17 -0.121 10.133 6.027 1.00 0.00 C ATOM 234 SG CYS A 17 -1.258 8.731 5.780 1.00 0.00 S ATOM 0 H CYS A 17 -1.051 11.439 3.712 1.00 0.00 H new ATOM 0 HA CYS A 17 -1.403 11.749 6.632 1.00 0.00 H new ATOM 0 HB2 CYS A 17 0.731 10.018 5.357 1.00 0.00 H new ATOM 0 HB3 CYS A 17 0.267 10.097 7.045 1.00 0.00 H new ATOM 239 N SER A 18 0.908 12.934 6.820 1.00 0.00 N ATOM 240 CA SER A 18 1.960 13.943 6.854 1.00 0.00 C ATOM 241 C SER A 18 3.031 13.581 7.877 1.00 0.00 C ATOM 242 O SER A 18 2.777 12.822 8.813 1.00 0.00 O ATOM 243 CB SER A 18 1.369 15.315 7.181 1.00 0.00 C ATOM 244 OG SER A 18 2.147 16.355 6.613 1.00 0.00 O ATOM 0 H SER A 18 0.667 12.545 7.732 1.00 0.00 H new ATOM 0 HA SER A 18 2.424 13.980 5.868 1.00 0.00 H new ATOM 0 HB2 SER A 18 0.348 15.374 6.804 1.00 0.00 H new ATOM 0 HB3 SER A 18 1.318 15.444 8.262 1.00 0.00 H new ATOM 0 HG SER A 18 1.747 17.222 6.835 1.00 0.00 H new ATOM 250 N GLY A 19 4.228 14.128 7.694 1.00 0.00 N ATOM 251 CA GLY A 19 5.318 13.851 8.611 1.00 0.00 C ATOM 252 C GLY A 19 6.288 12.822 8.066 1.00 0.00 C ATOM 253 O GLY A 19 6.364 12.610 6.855 1.00 0.00 O ATOM 0 H GLY A 19 4.463 14.758 6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.855 14.776 8.822 1.00 0.00 H new ATOM 0 HA3 GLY A 19 4.911 13.496 9.558 1.00 0.00 H new ATOM 257 N GLY A 20 7.034 12.180 8.962 1.00 0.00 N ATOM 258 CA GLY A 20 7.997 11.177 8.552 1.00 0.00 C ATOM 259 C GLY A 20 7.407 10.141 7.613 1.00 0.00 C ATOM 260 O GLY A 20 8.124 9.535 6.818 1.00 0.00 O ATOM 0 H GLY A 20 6.987 12.339 9.968 1.00 0.00 H new ATOM 0 HA2 GLY A 20 8.838 11.667 8.062 1.00 0.00 H new ATOM 0 HA3 GLY A 20 8.391 10.676 9.436 1.00 0.00 H new ATOM 264 N GLU A 21 6.097 9.938 7.706 1.00 0.00 N ATOM 265 CA GLU A 21 5.413 8.967 6.860 1.00 0.00 C ATOM 266 C GLU A 21 5.150 9.544 5.472 1.00 0.00 C ATOM 267 O GLU A 21 4.243 10.355 5.288 1.00 0.00 O ATOM 268 CB GLU A 21 4.094 8.538 7.504 1.00 0.00 C ATOM 269 CG GLU A 21 3.627 7.157 7.073 1.00 0.00 C ATOM 270 CD GLU A 21 2.753 6.487 8.114 1.00 0.00 C ATOM 271 OE1 GLU A 21 1.705 7.064 8.471 1.00 0.00 O ATOM 272 OE2 GLU A 21 3.116 5.383 8.572 1.00 0.00 O ATOM 0 H GLU A 21 5.488 10.433 8.358 1.00 0.00 H new ATOM 0 HA GLU A 21 6.059 8.095 6.755 1.00 0.00 H new ATOM 0 HB2 GLU A 21 4.207 8.552 8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.323 9.267 7.254 1.00 0.00 H new ATOM 0 HG2 GLU A 21 3.073 7.240 6.138 1.00 0.00 H new ATOM 0 HG3 GLU A 21 4.496 6.529 6.874 1.00 0.00 H new ATOM 279 N ASN A 22 5.949 9.118 4.500 1.00 0.00 N ATOM 280 CA ASN A 22 5.803 9.591 3.128 1.00 0.00 C ATOM 281 C ASN A 22 5.818 8.425 2.143 1.00 0.00 C ATOM 282 O ASN A 22 6.164 8.594 0.973 1.00 0.00 O ATOM 283 CB ASN A 22 6.921 10.578 2.785 1.00 0.00 C ATOM 284 CG ASN A 22 6.426 11.751 1.963 1.00 0.00 C ATOM 285 OD1 ASN A 22 5.346 11.701 1.375 1.00 0.00 O ATOM 286 ND2 ASN A 22 7.216 12.818 1.919 1.00 0.00 N ATOM 0 H ASN A 22 6.704 8.446 4.636 1.00 0.00 H new ATOM 0 HA ASN A 22 4.842 10.098 3.047 1.00 0.00 H new ATOM 0 HB2 ASN A 22 7.370 10.948 3.707 1.00 0.00 H new ATOM 0 HB3 ASN A 22 7.705 10.058 2.235 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.935 13.639 1.382 1.00 0.00 H new ATOM 0 HD22 ASN A 22 8.103 12.817 2.422 1.00 0.00 H new ATOM 293 N ASN A 23 5.441 7.244 2.622 1.00 0.00 N ATOM 294 CA ASN A 23 5.413 6.052 1.784 1.00 0.00 C ATOM 295 C ASN A 23 4.119 5.273 1.993 1.00 0.00 C ATOM 296 O ASN A 23 3.568 5.249 3.093 1.00 0.00 O ATOM 297 CB ASN A 23 6.615 5.160 2.095 1.00 0.00 C ATOM 298 CG ASN A 23 7.934 5.841 1.793 1.00 0.00 C ATOM 299 OD1 ASN A 23 8.531 6.478 2.661 1.00 0.00 O ATOM 300 ND2 ASN A 23 8.398 5.711 0.556 1.00 0.00 N ATOM 0 H ASN A 23 5.150 7.087 3.587 1.00 0.00 H new ATOM 0 HA ASN A 23 5.462 6.367 0.742 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.589 4.874 3.147 1.00 0.00 H new ATOM 0 HB3 ASN A 23 6.542 4.241 1.513 1.00 0.00 H new ATOM 0 HD21 ASN A 23 9.282 6.148 0.294 1.00 0.00 H new ATOM 0 HD22 ASN A 23 7.871 5.174 -0.133 1.00 0.00 H new ATOM 307 N CYS A 24 3.638 4.635 0.930 1.00 0.00 N ATOM 308 CA CYS A 24 2.409 3.854 0.999 1.00 0.00 C ATOM 309 C CYS A 24 2.679 2.388 0.681 1.00 0.00 C ATOM 310 O CYS A 24 3.126 2.050 -0.415 1.00 0.00 O ATOM 311 CB CYS A 24 1.366 4.419 0.036 1.00 0.00 C ATOM 312 SG CYS A 24 1.247 6.238 0.057 1.00 0.00 S ATOM 0 H CYS A 24 4.081 4.644 0.011 1.00 0.00 H new ATOM 0 HA CYS A 24 2.022 3.919 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 24 1.606 4.092 -0.976 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.392 3.998 0.284 1.00 0.00 H new ATOM 317 N TYR A 25 2.422 1.524 1.656 1.00 0.00 N ATOM 318 CA TYR A 25 2.650 0.104 1.503 1.00 0.00 C ATOM 319 C TYR A 25 1.507 -0.589 0.765 1.00 0.00 C ATOM 320 O TYR A 25 0.350 -0.512 1.180 1.00 0.00 O ATOM 321 CB TYR A 25 2.854 -0.542 2.879 1.00 0.00 C ATOM 322 CG TYR A 25 1.568 -0.938 3.573 1.00 0.00 C ATOM 323 CD1 TYR A 25 0.947 -2.150 3.293 1.00 0.00 C ATOM 324 CD2 TYR A 25 0.973 -0.096 4.505 1.00 0.00 C ATOM 325 CE1 TYR A 25 -0.230 -2.509 3.922 1.00 0.00 C ATOM 326 CE2 TYR A 25 -0.204 -0.448 5.137 1.00 0.00 C ATOM 327 CZ TYR A 25 -0.801 -1.655 4.842 1.00 0.00 C ATOM 328 OH TYR A 25 -1.974 -2.010 5.470 1.00 0.00 O ATOM 0 H TYR A 25 2.052 1.792 2.568 1.00 0.00 H new ATOM 0 HA TYR A 25 3.549 -0.020 0.899 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.479 -1.427 2.764 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.400 0.153 3.517 1.00 0.00 H new ATOM 0 HD1 TYR A 25 1.391 -2.821 2.573 1.00 0.00 H new ATOM 0 HD2 TYR A 25 1.439 0.850 4.739 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -0.700 -3.454 3.694 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -0.654 0.219 5.858 1.00 0.00 H new ATOM 0 HH TYR A 25 -2.242 -1.299 6.089 1.00 0.00 H new ATOM 338 N LYS A 26 1.843 -1.288 -0.313 1.00 0.00 N ATOM 339 CA LYS A 26 0.852 -2.025 -1.086 1.00 0.00 C ATOM 340 C LYS A 26 1.212 -3.505 -1.080 1.00 0.00 C ATOM 341 O LYS A 26 2.260 -3.894 -1.596 1.00 0.00 O ATOM 342 CB LYS A 26 0.787 -1.502 -2.523 1.00 0.00 C ATOM 343 CG LYS A 26 -0.498 -1.874 -3.245 1.00 0.00 C ATOM 344 CD LYS A 26 -0.272 -2.028 -4.741 1.00 0.00 C ATOM 345 CE LYS A 26 -0.747 -0.803 -5.506 1.00 0.00 C ATOM 346 NZ LYS A 26 -0.497 -0.929 -6.969 1.00 0.00 N ATOM 0 H LYS A 26 2.795 -1.360 -0.671 1.00 0.00 H new ATOM 0 HA LYS A 26 -0.129 -1.886 -0.632 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.887 -0.417 -2.511 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.636 -1.894 -3.083 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.889 -2.806 -2.837 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.252 -1.107 -3.067 1.00 0.00 H new ATOM 0 HD2 LYS A 26 0.788 -2.191 -4.935 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.801 -2.911 -5.101 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.813 -0.657 -5.331 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -0.237 0.082 -5.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.835 -0.073 -7.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 0.523 -1.043 -7.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.004 -1.759 -7.338 1.00 0.00 H new ATOM 360 N LYS A 27 0.365 -4.327 -0.469 1.00 0.00 N ATOM 361 CA LYS A 27 0.630 -5.751 -0.382 1.00 0.00 C ATOM 362 C LYS A 27 -0.575 -6.574 -0.829 1.00 0.00 C ATOM 363 O LYS A 27 -1.712 -6.288 -0.451 1.00 0.00 O ATOM 364 CB LYS A 27 1.002 -6.119 1.052 1.00 0.00 C ATOM 365 CG LYS A 27 0.299 -5.288 2.112 1.00 0.00 C ATOM 366 CD LYS A 27 0.864 -5.560 3.497 1.00 0.00 C ATOM 367 CE LYS A 27 0.771 -7.034 3.862 1.00 0.00 C ATOM 368 NZ LYS A 27 0.970 -7.259 5.320 1.00 0.00 N ATOM 0 H LYS A 27 -0.506 -4.029 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 27 1.460 -5.980 -1.050 1.00 0.00 H new ATOM 0 HB2 LYS A 27 0.768 -7.171 1.217 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.079 -6.009 1.175 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.405 -4.229 1.876 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.768 -5.511 2.103 1.00 0.00 H new ATOM 0 HD2 LYS A 27 1.905 -5.241 3.535 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.322 -4.967 4.234 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -0.204 -7.421 3.565 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.520 -7.594 3.303 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.967 -8.280 5.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.881 -6.853 5.613 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.201 -6.802 5.850 1.00 0.00 H new ATOM 382 N GLU A 28 -0.313 -7.602 -1.630 1.00 0.00 N ATOM 383 CA GLU A 28 -1.363 -8.478 -2.128 1.00 0.00 C ATOM 384 C GLU A 28 -1.118 -9.913 -1.671 1.00 0.00 C ATOM 385 O GLU A 28 0.026 -10.354 -1.569 1.00 0.00 O ATOM 386 CB GLU A 28 -1.422 -8.423 -3.656 1.00 0.00 C ATOM 387 CG GLU A 28 -0.083 -8.134 -4.318 1.00 0.00 C ATOM 388 CD GLU A 28 -0.221 -7.795 -5.789 1.00 0.00 C ATOM 389 OE1 GLU A 28 -0.849 -6.762 -6.104 1.00 0.00 O ATOM 390 OE2 GLU A 28 0.298 -8.562 -6.627 1.00 0.00 O ATOM 0 H GLU A 28 0.624 -7.848 -1.949 1.00 0.00 H new ATOM 0 HA GLU A 28 -2.316 -8.136 -1.725 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -1.802 -9.374 -4.029 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.136 -7.655 -3.954 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.402 -7.305 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.567 -9.002 -4.208 1.00 0.00 H new ATOM 397 N TRP A 29 -2.196 -10.642 -1.398 1.00 0.00 N ATOM 398 CA TRP A 29 -2.082 -12.025 -0.954 1.00 0.00 C ATOM 399 C TRP A 29 -3.268 -12.857 -1.437 1.00 0.00 C ATOM 400 O TRP A 29 -4.399 -12.374 -1.484 1.00 0.00 O ATOM 401 CB TRP A 29 -1.972 -12.090 0.573 1.00 0.00 C ATOM 402 CG TRP A 29 -3.251 -11.792 1.287 1.00 0.00 C ATOM 403 CD1 TRP A 29 -3.974 -12.661 2.038 1.00 0.00 C ATOM 404 CD2 TRP A 29 -3.951 -10.542 1.329 1.00 0.00 C ATOM 405 NE1 TRP A 29 -5.091 -12.041 2.542 1.00 0.00 N ATOM 406 CE2 TRP A 29 -5.099 -10.736 2.121 1.00 0.00 C ATOM 407 CE3 TRP A 29 -3.722 -9.279 0.774 1.00 0.00 C ATOM 408 CZ2 TRP A 29 -6.014 -9.716 2.370 1.00 0.00 C ATOM 409 CZ3 TRP A 29 -4.631 -8.269 1.022 1.00 0.00 C ATOM 410 CH2 TRP A 29 -5.764 -8.492 1.814 1.00 0.00 C ATOM 0 H TRP A 29 -3.153 -10.299 -1.476 1.00 0.00 H new ATOM 0 HA TRP A 29 -1.175 -12.444 -1.389 1.00 0.00 H new ATOM 0 HB2 TRP A 29 -1.630 -13.084 0.861 1.00 0.00 H new ATOM 0 HB3 TRP A 29 -1.210 -11.383 0.903 1.00 0.00 H new ATOM 0 HD1 TRP A 29 -3.709 -13.693 2.214 1.00 0.00 H new ATOM 0 HE1 TRP A 29 -5.798 -12.479 3.132 1.00 0.00 H new ATOM 0 HE3 TRP A 29 -2.850 -9.097 0.163 1.00 0.00 H new ATOM 0 HZ2 TRP A 29 -6.889 -9.886 2.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 29 -4.465 -7.290 0.598 1.00 0.00 H new ATOM 0 HH2 TRP A 29 -6.455 -7.680 1.989 1.00 0.00 H new ATOM 421 N ARG A 30 -3.000 -14.110 -1.794 1.00 0.00 N ATOM 422 CA ARG A 30 -4.046 -15.010 -2.272 1.00 0.00 C ATOM 423 C ARG A 30 -4.357 -16.083 -1.236 1.00 0.00 C ATOM 424 O ARG A 30 -3.476 -16.531 -0.504 1.00 0.00 O ATOM 425 CB ARG A 30 -3.642 -15.669 -3.599 1.00 0.00 C ATOM 426 CG ARG A 30 -2.143 -15.683 -3.855 1.00 0.00 C ATOM 427 CD ARG A 30 -1.825 -16.125 -5.275 1.00 0.00 C ATOM 428 NE ARG A 30 -0.706 -15.378 -5.843 1.00 0.00 N ATOM 429 CZ ARG A 30 -0.814 -14.152 -6.351 1.00 0.00 C ATOM 430 NH1 ARG A 30 -1.987 -13.531 -6.361 1.00 0.00 N ATOM 431 NH2 ARG A 30 0.255 -13.545 -6.849 1.00 0.00 N ATOM 0 H ARG A 30 -2.069 -14.525 -1.762 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.942 -14.412 -2.438 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -4.011 -16.695 -3.610 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -4.135 -15.144 -4.418 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -1.734 -14.688 -3.682 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -1.658 -16.354 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.590 -17.189 -5.279 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.706 -15.991 -5.902 1.00 0.00 H new ATOM 0 HE ARG A 30 0.212 -15.822 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.812 -13.993 -5.978 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.064 -12.592 -6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.159 -14.017 -6.843 1.00 0.00 H new ATOM 0 HH22 ARG A 30 0.173 -12.606 -7.238 1.00 0.00 H new ATOM 445 N ASP A 31 -5.622 -16.488 -1.181 1.00 0.00 N ATOM 446 CA ASP A 31 -6.055 -17.509 -0.233 1.00 0.00 C ATOM 447 C ASP A 31 -7.374 -18.139 -0.671 1.00 0.00 C ATOM 448 O ASP A 31 -8.235 -17.469 -1.241 1.00 0.00 O ATOM 449 CB ASP A 31 -6.203 -16.905 1.164 1.00 0.00 C ATOM 450 CG ASP A 31 -7.029 -15.633 1.158 1.00 0.00 C ATOM 451 OD1 ASP A 31 -6.638 -14.675 0.457 1.00 0.00 O ATOM 452 OD2 ASP A 31 -8.064 -15.594 1.854 1.00 0.00 O ATOM 0 H ASP A 31 -6.364 -16.126 -1.780 1.00 0.00 H new ATOM 0 HA ASP A 31 -5.295 -18.289 -0.206 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.670 -17.635 1.825 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -5.215 -16.692 1.571 1.00 0.00 H new ATOM 457 N ASN A 32 -7.524 -19.430 -0.395 1.00 0.00 N ATOM 458 CA ASN A 32 -8.737 -20.158 -0.752 1.00 0.00 C ATOM 459 C ASN A 32 -8.960 -20.151 -2.265 1.00 0.00 C ATOM 460 O ASN A 32 -8.605 -21.107 -2.955 1.00 0.00 O ATOM 461 CB ASN A 32 -9.948 -19.553 -0.036 1.00 0.00 C ATOM 462 CG ASN A 32 -10.331 -20.330 1.208 1.00 0.00 C ATOM 463 OD1 ASN A 32 -11.229 -21.172 1.176 1.00 0.00 O ATOM 464 ND2 ASN A 32 -9.650 -20.051 2.313 1.00 0.00 N ATOM 0 H ASN A 32 -6.818 -19.996 0.076 1.00 0.00 H new ATOM 0 HA ASN A 32 -8.616 -21.193 -0.433 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -9.727 -18.521 0.237 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -10.796 -19.527 -0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -9.863 -20.542 3.181 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -8.914 -19.345 2.294 1.00 0.00 H new ATOM 471 N ARG A 33 -9.555 -19.075 -2.774 1.00 0.00 N ATOM 472 CA ARG A 33 -9.827 -18.957 -4.202 1.00 0.00 C ATOM 473 C ARG A 33 -9.207 -17.685 -4.773 1.00 0.00 C ATOM 474 O ARG A 33 -8.149 -17.727 -5.403 1.00 0.00 O ATOM 475 CB ARG A 33 -11.338 -18.965 -4.464 1.00 0.00 C ATOM 476 CG ARG A 33 -12.179 -18.612 -3.246 1.00 0.00 C ATOM 477 CD ARG A 33 -13.633 -18.379 -3.622 1.00 0.00 C ATOM 478 NE ARG A 33 -14.410 -17.852 -2.503 1.00 0.00 N ATOM 479 CZ ARG A 33 -14.834 -18.592 -1.481 1.00 0.00 C ATOM 480 NH1 ARG A 33 -14.559 -19.889 -1.433 1.00 0.00 N ATOM 481 NH2 ARG A 33 -15.536 -18.033 -0.504 1.00 0.00 N ATOM 0 H ARG A 33 -9.857 -18.274 -2.219 1.00 0.00 H new ATOM 0 HA ARG A 33 -9.376 -19.815 -4.700 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -11.561 -18.259 -5.264 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -11.629 -19.953 -4.820 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -12.116 -19.417 -2.513 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -11.777 -17.717 -2.772 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -13.684 -17.682 -4.459 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -14.075 -19.316 -3.960 1.00 0.00 H new ATOM 0 HE ARG A 33 -14.641 -16.859 -2.505 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -14.020 -20.324 -2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -14.887 -20.451 -0.647 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -15.751 -17.036 -0.536 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -15.861 -18.600 0.279 1.00 0.00 H new ATOM 495 N GLY A 34 -9.872 -16.555 -4.554 1.00 0.00 N ATOM 496 CA GLY A 34 -9.373 -15.289 -5.057 1.00 0.00 C ATOM 497 C GLY A 34 -8.277 -14.710 -4.186 1.00 0.00 C ATOM 498 O GLY A 34 -7.604 -15.437 -3.454 1.00 0.00 O ATOM 0 H GLY A 34 -10.749 -16.494 -4.036 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -8.993 -15.428 -6.069 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -10.196 -14.577 -5.121 1.00 0.00 H new ATOM 502 N TYR A 35 -8.096 -13.395 -4.266 1.00 0.00 N ATOM 503 CA TYR A 35 -7.072 -12.718 -3.479 1.00 0.00 C ATOM 504 C TYR A 35 -7.504 -11.301 -3.123 1.00 0.00 C ATOM 505 O TYR A 35 -8.464 -10.773 -3.684 1.00 0.00 O ATOM 506 CB TYR A 35 -5.748 -12.679 -4.246 1.00 0.00 C ATOM 507 CG TYR A 35 -5.903 -12.355 -5.715 1.00 0.00 C ATOM 508 CD1 TYR A 35 -6.279 -11.083 -6.130 1.00 0.00 C ATOM 509 CD2 TYR A 35 -5.672 -13.322 -6.685 1.00 0.00 C ATOM 510 CE1 TYR A 35 -6.420 -10.786 -7.472 1.00 0.00 C ATOM 511 CE2 TYR A 35 -5.811 -13.031 -8.028 1.00 0.00 C ATOM 512 CZ TYR A 35 -6.185 -11.763 -8.417 1.00 0.00 C ATOM 513 OH TYR A 35 -6.325 -11.469 -9.754 1.00 0.00 O ATOM 0 H TYR A 35 -8.644 -12.779 -4.866 1.00 0.00 H new ATOM 0 HA TYR A 35 -6.934 -13.280 -2.555 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.095 -11.937 -3.787 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -5.253 -13.645 -4.147 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -6.464 -10.316 -5.393 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -5.379 -14.317 -6.384 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -6.713 -9.793 -7.780 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -5.627 -13.794 -8.770 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.122 -12.266 -10.287 1.00 0.00 H new ATOM 523 N ARG A 36 -6.786 -10.691 -2.187 1.00 0.00 N ATOM 524 CA ARG A 36 -7.087 -9.334 -1.753 1.00 0.00 C ATOM 525 C ARG A 36 -5.824 -8.480 -1.738 1.00 0.00 C ATOM 526 O ARG A 36 -4.710 -9.003 -1.763 1.00 0.00 O ATOM 527 CB ARG A 36 -7.724 -9.351 -0.362 1.00 0.00 C ATOM 528 CG ARG A 36 -9.214 -9.648 -0.378 1.00 0.00 C ATOM 529 CD ARG A 36 -9.759 -9.845 1.027 1.00 0.00 C ATOM 530 NE ARG A 36 -9.533 -11.202 1.517 1.00 0.00 N ATOM 531 CZ ARG A 36 -10.238 -12.260 1.123 1.00 0.00 C ATOM 532 NH1 ARG A 36 -11.217 -12.123 0.237 1.00 0.00 N ATOM 533 NH2 ARG A 36 -9.965 -13.461 1.616 1.00 0.00 N ATOM 0 H ARG A 36 -5.989 -11.117 -1.714 1.00 0.00 H new ATOM 0 HA ARG A 36 -7.792 -8.898 -2.461 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.220 -10.099 0.250 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.560 -8.385 0.115 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -9.744 -8.828 -0.863 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -9.401 -10.544 -0.971 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -9.286 -9.132 1.702 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -10.828 -9.630 1.035 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.791 -11.348 2.202 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -11.433 -11.203 -0.146 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -11.753 -12.938 -0.061 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -9.214 -13.574 2.297 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -10.506 -14.271 1.314 1.00 0.00 H new ATOM 547 N THR A 37 -6.005 -7.166 -1.700 1.00 0.00 N ATOM 548 CA THR A 37 -4.878 -6.242 -1.682 1.00 0.00 C ATOM 549 C THR A 37 -5.178 -5.037 -0.799 1.00 0.00 C ATOM 550 O THR A 37 -6.140 -4.306 -1.037 1.00 0.00 O ATOM 551 CB THR A 37 -4.548 -5.778 -3.102 1.00 0.00 C ATOM 552 OG1 THR A 37 -5.505 -4.836 -3.556 1.00 0.00 O ATOM 553 CG2 THR A 37 -4.506 -6.908 -4.108 1.00 0.00 C ATOM 0 H THR A 37 -6.920 -6.716 -1.681 1.00 0.00 H new ATOM 0 HA THR A 37 -4.017 -6.767 -1.270 1.00 0.00 H new ATOM 0 HB THR A 37 -3.554 -5.334 -3.037 1.00 0.00 H new ATOM 0 HG1 THR A 37 -6.169 -4.680 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 37 -4.267 -6.509 -5.094 1.00 0.00 H new ATOM 0 HG22 THR A 37 -3.743 -7.629 -3.814 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.478 -7.401 -4.142 1.00 0.00 H new ATOM 561 N GLU A 38 -4.352 -4.834 0.221 1.00 0.00 N ATOM 562 CA GLU A 38 -4.531 -3.716 1.135 1.00 0.00 C ATOM 563 C GLU A 38 -3.468 -2.653 0.899 1.00 0.00 C ATOM 564 O GLU A 38 -2.379 -2.945 0.402 1.00 0.00 O ATOM 565 CB GLU A 38 -4.482 -4.189 2.591 1.00 0.00 C ATOM 566 CG GLU A 38 -3.603 -5.408 2.821 1.00 0.00 C ATOM 567 CD GLU A 38 -3.670 -5.912 4.249 1.00 0.00 C ATOM 568 OE1 GLU A 38 -3.886 -5.087 5.161 1.00 0.00 O ATOM 569 OE2 GLU A 38 -3.508 -7.133 4.455 1.00 0.00 O ATOM 0 H GLU A 38 -3.552 -5.430 0.434 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.512 -3.281 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.121 -3.372 3.215 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -5.495 -4.418 2.921 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -3.909 -6.205 2.143 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.571 -5.159 2.575 1.00 0.00 H new ATOM 576 N ARG A 39 -3.793 -1.417 1.256 1.00 0.00 N ATOM 577 CA ARG A 39 -2.869 -0.304 1.082 1.00 0.00 C ATOM 578 C ARG A 39 -3.009 0.701 2.220 1.00 0.00 C ATOM 579 O ARG A 39 -4.030 0.737 2.907 1.00 0.00 O ATOM 580 CB ARG A 39 -3.122 0.385 -0.259 1.00 0.00 C ATOM 581 CG ARG A 39 -3.071 -0.562 -1.448 1.00 0.00 C ATOM 582 CD ARG A 39 -4.444 -1.131 -1.767 1.00 0.00 C ATOM 583 NE ARG A 39 -5.106 -0.393 -2.839 1.00 0.00 N ATOM 584 CZ ARG A 39 -6.081 -0.895 -3.595 1.00 0.00 C ATOM 585 NH1 ARG A 39 -6.512 -2.135 -3.399 1.00 0.00 N ATOM 586 NH2 ARG A 39 -6.629 -0.154 -4.549 1.00 0.00 N ATOM 0 H ARG A 39 -4.690 -1.160 1.668 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.853 -0.698 1.095 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -4.099 0.868 -0.231 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.381 1.172 -0.400 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -2.684 -0.033 -2.319 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -2.379 -1.377 -1.236 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -4.345 -2.178 -2.055 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.065 -1.104 -0.871 1.00 0.00 H new ATOM 0 HE ARG A 39 -4.804 0.564 -3.020 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -6.096 -2.710 -2.666 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.259 -2.513 -3.981 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.304 0.800 -4.704 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.376 -0.539 -5.128 1.00 0.00 H new ATOM 600 N GLY A 40 -1.979 1.517 2.413 1.00 0.00 N ATOM 601 CA GLY A 40 -2.009 2.512 3.469 1.00 0.00 C ATOM 602 C GLY A 40 -0.671 3.198 3.654 1.00 0.00 C ATOM 603 O GLY A 40 0.285 2.912 2.934 1.00 0.00 O ATOM 0 H GLY A 40 -1.124 1.507 1.857 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.769 3.259 3.239 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.303 2.036 4.405 1.00 0.00 H new ATOM 607 N CYS A 41 -0.601 4.106 4.623 1.00 0.00 N ATOM 608 CA CYS A 41 0.628 4.834 4.899 1.00 0.00 C ATOM 609 C CYS A 41 1.588 3.984 5.727 1.00 0.00 C ATOM 610 O CYS A 41 1.253 3.542 6.826 1.00 0.00 O ATOM 611 CB CYS A 41 0.312 6.136 5.634 1.00 0.00 C ATOM 612 SG CYS A 41 -0.234 7.489 4.543 1.00 0.00 S ATOM 0 H CYS A 41 -1.383 4.354 5.229 1.00 0.00 H new ATOM 0 HA CYS A 41 1.109 5.068 3.949 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -0.465 5.944 6.374 1.00 0.00 H new ATOM 0 HB3 CYS A 41 1.199 6.458 6.179 1.00 0.00 H new ATOM 617 N GLY A 42 2.781 3.752 5.188 1.00 0.00 N ATOM 618 CA GLY A 42 3.768 2.950 5.886 1.00 0.00 C ATOM 619 C GLY A 42 4.474 1.976 4.967 1.00 0.00 C ATOM 620 O GLY A 42 4.394 2.096 3.744 1.00 0.00 O ATOM 0 H GLY A 42 3.081 4.106 4.280 1.00 0.00 H new ATOM 0 HA2 GLY A 42 4.504 3.607 6.350 1.00 0.00 H new ATOM 0 HA3 GLY A 42 3.281 2.399 6.691 1.00 0.00 H new ATOM 624 N CYS A 43 5.169 1.010 5.556 1.00 0.00 N ATOM 625 CA CYS A 43 5.892 0.007 4.782 1.00 0.00 C ATOM 626 C CYS A 43 6.438 -1.098 5.686 1.00 0.00 C ATOM 627 O CYS A 43 7.463 -0.921 6.344 1.00 0.00 O ATOM 628 CB CYS A 43 7.039 0.660 4.009 1.00 0.00 C ATOM 629 SG CYS A 43 7.671 -0.347 2.627 1.00 0.00 S ATOM 0 H CYS A 43 5.247 0.900 6.567 1.00 0.00 H new ATOM 0 HA CYS A 43 5.192 -0.441 4.076 1.00 0.00 H new ATOM 0 HB2 CYS A 43 6.701 1.620 3.620 1.00 0.00 H new ATOM 0 HB3 CYS A 43 7.857 0.866 4.699 1.00 0.00 H new ATOM 634 N PRO A 44 5.758 -2.259 5.730 1.00 0.00 N ATOM 635 CA PRO A 44 6.184 -3.391 6.556 1.00 0.00 C ATOM 636 C PRO A 44 7.361 -4.143 5.943 1.00 0.00 C ATOM 637 O PRO A 44 8.004 -3.655 5.014 1.00 0.00 O ATOM 638 CB PRO A 44 4.941 -4.279 6.590 1.00 0.00 C ATOM 639 CG PRO A 44 4.252 -4.007 5.298 1.00 0.00 C ATOM 640 CD PRO A 44 4.524 -2.560 4.976 1.00 0.00 C ATOM 0 HA PRO A 44 6.531 -3.077 7.540 1.00 0.00 H new ATOM 0 HB2 PRO A 44 5.208 -5.332 6.683 1.00 0.00 H new ATOM 0 HB3 PRO A 44 4.302 -4.035 7.439 1.00 0.00 H new ATOM 0 HG2 PRO A 44 4.629 -4.659 4.510 1.00 0.00 H new ATOM 0 HG3 PRO A 44 3.181 -4.193 5.381 1.00 0.00 H new ATOM 0 HD2 PRO A 44 4.662 -2.407 3.906 1.00 0.00 H new ATOM 0 HD3 PRO A 44 3.699 -1.919 5.286 1.00 0.00 H new ATOM 648 N SER A 45 7.638 -5.333 6.468 1.00 0.00 N ATOM 649 CA SER A 45 8.739 -6.150 5.970 1.00 0.00 C ATOM 650 C SER A 45 8.248 -7.535 5.561 1.00 0.00 C ATOM 651 O SER A 45 8.844 -8.549 5.922 1.00 0.00 O ATOM 652 CB SER A 45 9.831 -6.274 7.035 1.00 0.00 C ATOM 653 OG SER A 45 10.749 -5.197 6.954 1.00 0.00 O ATOM 0 H SER A 45 7.116 -5.752 7.237 1.00 0.00 H new ATOM 0 HA SER A 45 9.155 -5.659 5.090 1.00 0.00 H new ATOM 0 HB2 SER A 45 9.376 -6.294 8.025 1.00 0.00 H new ATOM 0 HB3 SER A 45 10.361 -7.218 6.908 1.00 0.00 H new ATOM 0 HG SER A 45 11.435 -5.299 7.646 1.00 0.00 H new ATOM 659 N VAL A 46 7.156 -7.568 4.804 1.00 0.00 N ATOM 660 CA VAL A 46 6.581 -8.821 4.342 1.00 0.00 C ATOM 661 C VAL A 46 7.314 -9.343 3.111 1.00 0.00 C ATOM 662 O VAL A 46 7.764 -8.565 2.268 1.00 0.00 O ATOM 663 CB VAL A 46 5.089 -8.656 4.005 1.00 0.00 C ATOM 664 CG1 VAL A 46 4.257 -8.576 5.276 1.00 0.00 C ATOM 665 CG2 VAL A 46 4.867 -7.427 3.134 1.00 0.00 C ATOM 0 H VAL A 46 6.652 -6.736 4.498 1.00 0.00 H new ATOM 0 HA VAL A 46 6.688 -9.540 5.155 1.00 0.00 H new ATOM 0 HB VAL A 46 4.766 -9.532 3.443 1.00 0.00 H new ATOM 0 HG11 VAL A 46 3.205 -8.459 5.016 1.00 0.00 H new ATOM 0 HG12 VAL A 46 4.388 -9.490 5.855 1.00 0.00 H new ATOM 0 HG13 VAL A 46 4.581 -7.721 5.870 1.00 0.00 H new ATOM 0 HG21 VAL A 46 3.805 -7.329 2.907 1.00 0.00 H new ATOM 0 HG22 VAL A 46 5.208 -6.538 3.665 1.00 0.00 H new ATOM 0 HG23 VAL A 46 5.428 -7.533 2.206 1.00 0.00 H new ATOM 675 N LYS A 47 7.432 -10.663 3.011 1.00 0.00 N ATOM 676 CA LYS A 47 8.111 -11.285 1.880 1.00 0.00 C ATOM 677 C LYS A 47 7.702 -12.748 1.732 1.00 0.00 C ATOM 678 O LYS A 47 7.060 -13.317 2.614 1.00 0.00 O ATOM 679 CB LYS A 47 9.628 -11.184 2.052 1.00 0.00 C ATOM 680 CG LYS A 47 10.146 -11.873 3.305 1.00 0.00 C ATOM 681 CD LYS A 47 10.954 -10.922 4.174 1.00 0.00 C ATOM 682 CE LYS A 47 12.126 -11.630 4.836 1.00 0.00 C ATOM 683 NZ LYS A 47 13.409 -11.360 4.131 1.00 0.00 N ATOM 0 H LYS A 47 7.067 -11.322 3.699 1.00 0.00 H new ATOM 0 HA LYS A 47 7.816 -10.752 0.976 1.00 0.00 H new ATOM 0 HB2 LYS A 47 10.114 -11.621 1.180 1.00 0.00 H new ATOM 0 HB3 LYS A 47 9.913 -10.132 2.082 1.00 0.00 H new ATOM 0 HG2 LYS A 47 9.306 -12.266 3.878 1.00 0.00 H new ATOM 0 HG3 LYS A 47 10.766 -12.724 3.023 1.00 0.00 H new ATOM 0 HD2 LYS A 47 11.323 -10.096 3.565 1.00 0.00 H new ATOM 0 HD3 LYS A 47 10.309 -10.490 4.939 1.00 0.00 H new ATOM 0 HE2 LYS A 47 12.207 -11.306 5.873 1.00 0.00 H new ATOM 0 HE3 LYS A 47 11.939 -12.704 4.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 14.182 -11.861 4.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 13.342 -11.693 3.148 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 13.601 -10.338 4.138 1.00 0.00 H new ATOM 697 N LYS A 48 8.083 -13.352 0.610 1.00 0.00 N ATOM 698 CA LYS A 48 7.761 -14.750 0.342 1.00 0.00 C ATOM 699 C LYS A 48 6.254 -14.958 0.246 1.00 0.00 C ATOM 700 O LYS A 48 5.575 -15.131 1.258 1.00 0.00 O ATOM 701 CB LYS A 48 8.343 -15.649 1.436 1.00 0.00 C ATOM 702 CG LYS A 48 8.750 -17.026 0.938 1.00 0.00 C ATOM 703 CD LYS A 48 9.512 -17.799 2.003 1.00 0.00 C ATOM 704 CE LYS A 48 9.141 -19.272 1.995 1.00 0.00 C ATOM 705 NZ LYS A 48 9.639 -19.965 0.775 1.00 0.00 N ATOM 0 H LYS A 48 8.616 -12.894 -0.129 1.00 0.00 H new ATOM 0 HA LYS A 48 8.206 -15.019 -0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 48 9.212 -15.158 1.874 1.00 0.00 H new ATOM 0 HB3 LYS A 48 7.607 -15.762 2.232 1.00 0.00 H new ATOM 0 HG2 LYS A 48 7.862 -17.586 0.646 1.00 0.00 H new ATOM 0 HG3 LYS A 48 9.370 -16.924 0.047 1.00 0.00 H new ATOM 0 HD2 LYS A 48 10.584 -17.692 1.835 1.00 0.00 H new ATOM 0 HD3 LYS A 48 9.299 -17.375 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 48 9.554 -19.755 2.881 1.00 0.00 H new ATOM 0 HE3 LYS A 48 8.057 -19.373 2.053 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 9.365 -20.968 0.809 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 9.225 -19.521 -0.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 10.675 -19.891 0.732 1.00 0.00 H new ATOM 719 N GLY A 49 5.736 -14.944 -0.979 1.00 0.00 N ATOM 720 CA GLY A 49 4.312 -15.137 -1.187 1.00 0.00 C ATOM 721 C GLY A 49 3.604 -13.855 -1.578 1.00 0.00 C ATOM 722 O GLY A 49 3.086 -13.738 -2.689 1.00 0.00 O ATOM 0 H GLY A 49 6.278 -14.802 -1.832 1.00 0.00 H new ATOM 0 HA2 GLY A 49 4.160 -15.884 -1.966 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.865 -15.532 -0.275 1.00 0.00 H new ATOM 726 N ILE A 50 3.578 -12.893 -0.661 1.00 0.00 N ATOM 727 CA ILE A 50 2.926 -11.615 -0.908 1.00 0.00 C ATOM 728 C ILE A 50 3.455 -10.950 -2.177 1.00 0.00 C ATOM 729 O ILE A 50 4.630 -11.088 -2.518 1.00 0.00 O ATOM 730 CB ILE A 50 3.114 -10.670 0.286 1.00 0.00 C ATOM 731 CG1 ILE A 50 2.566 -11.332 1.545 1.00 0.00 C ATOM 732 CG2 ILE A 50 2.419 -9.338 0.035 1.00 0.00 C ATOM 733 CD1 ILE A 50 1.145 -11.831 1.402 1.00 0.00 C ATOM 0 H ILE A 50 4.003 -12.976 0.262 1.00 0.00 H new ATOM 0 HA ILE A 50 1.863 -11.816 -1.044 1.00 0.00 H new ATOM 0 HB ILE A 50 4.177 -10.471 0.419 1.00 0.00 H new ATOM 0 HG12 ILE A 50 3.210 -12.169 1.814 1.00 0.00 H new ATOM 0 HG13 ILE A 50 2.610 -10.619 2.368 1.00 0.00 H new ATOM 0 HG21 ILE A 50 2.565 -8.684 0.894 1.00 0.00 H new ATOM 0 HG22 ILE A 50 2.841 -8.869 -0.854 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.353 -9.507 -0.115 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.824 -12.289 2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 50 0.488 -10.995 1.164 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.097 -12.569 0.601 1.00 0.00 H new ATOM 745 N GLY A 51 2.578 -10.233 -2.872 1.00 0.00 N ATOM 746 CA GLY A 51 2.973 -9.559 -4.096 1.00 0.00 C ATOM 747 C GLY A 51 3.037 -8.053 -3.936 1.00 0.00 C ATOM 748 O GLY A 51 2.567 -7.510 -2.938 1.00 0.00 O ATOM 0 H GLY A 51 1.600 -10.106 -2.610 1.00 0.00 H new ATOM 0 HA2 GLY A 51 3.948 -9.929 -4.412 1.00 0.00 H new ATOM 0 HA3 GLY A 51 2.266 -9.807 -4.888 1.00 0.00 H new ATOM 752 N ILE A 52 3.627 -7.384 -4.926 1.00 0.00 N ATOM 753 CA ILE A 52 3.768 -5.928 -4.914 1.00 0.00 C ATOM 754 C ILE A 52 4.385 -5.435 -3.600 1.00 0.00 C ATOM 755 O ILE A 52 4.653 -6.226 -2.697 1.00 0.00 O ATOM 756 CB ILE A 52 2.413 -5.222 -5.196 1.00 0.00 C ATOM 757 CG1 ILE A 52 2.650 -3.896 -5.920 1.00 0.00 C ATOM 758 CG2 ILE A 52 1.604 -4.999 -3.922 1.00 0.00 C ATOM 759 CD1 ILE A 52 1.691 -3.654 -7.066 1.00 0.00 C ATOM 0 H ILE A 52 4.019 -7.832 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 52 4.452 -5.663 -5.720 1.00 0.00 H new ATOM 0 HB ILE A 52 1.827 -5.881 -5.837 1.00 0.00 H new ATOM 0 HG12 ILE A 52 2.561 -3.079 -5.204 1.00 0.00 H new ATOM 0 HG13 ILE A 52 3.671 -3.877 -6.301 1.00 0.00 H new ATOM 0 HG21 ILE A 52 0.665 -4.503 -4.169 1.00 0.00 H new ATOM 0 HG22 ILE A 52 1.394 -5.960 -3.452 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.174 -4.375 -3.234 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.917 -2.696 -7.534 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.796 -4.451 -7.802 1.00 0.00 H new ATOM 0 HD13 ILE A 52 0.669 -3.641 -6.688 1.00 0.00 H new ATOM 771 N ASN A 53 4.629 -4.129 -3.509 1.00 0.00 N ATOM 772 CA ASN A 53 5.237 -3.548 -2.314 1.00 0.00 C ATOM 773 C ASN A 53 4.774 -2.109 -2.094 1.00 0.00 C ATOM 774 O ASN A 53 3.747 -1.682 -2.621 1.00 0.00 O ATOM 775 CB ASN A 53 6.765 -3.605 -2.436 1.00 0.00 C ATOM 776 CG ASN A 53 7.302 -2.666 -3.501 1.00 0.00 C ATOM 777 OD1 ASN A 53 6.540 -1.973 -4.176 1.00 0.00 O ATOM 778 ND2 ASN A 53 8.620 -2.639 -3.655 1.00 0.00 N ATOM 0 H ASN A 53 4.416 -3.456 -4.245 1.00 0.00 H new ATOM 0 HA ASN A 53 4.919 -4.130 -1.449 1.00 0.00 H new ATOM 0 HB2 ASN A 53 7.212 -3.351 -1.475 1.00 0.00 H new ATOM 0 HB3 ASN A 53 7.069 -4.625 -2.670 1.00 0.00 H new ATOM 0 HD21 ASN A 53 9.039 -2.027 -4.355 1.00 0.00 H new ATOM 0 HD22 ASN A 53 9.214 -3.230 -3.073 1.00 0.00 H new ATOM 785 N CYS A 54 5.536 -1.370 -1.299 1.00 0.00 N ATOM 786 CA CYS A 54 5.212 0.020 -0.996 1.00 0.00 C ATOM 787 C CYS A 54 5.641 0.938 -2.138 1.00 0.00 C ATOM 788 O CYS A 54 6.268 0.497 -3.101 1.00 0.00 O ATOM 789 CB CYS A 54 5.895 0.462 0.302 1.00 0.00 C ATOM 790 SG CYS A 54 6.002 -0.837 1.578 1.00 0.00 S ATOM 0 H CYS A 54 6.386 -1.710 -0.850 1.00 0.00 H new ATOM 0 HA CYS A 54 4.131 0.092 -0.873 1.00 0.00 H new ATOM 0 HB2 CYS A 54 6.902 0.809 0.069 1.00 0.00 H new ATOM 0 HB3 CYS A 54 5.352 1.313 0.712 1.00 0.00 H new ATOM 795 N CYS A 55 5.300 2.218 -2.020 1.00 0.00 N ATOM 796 CA CYS A 55 5.652 3.201 -3.038 1.00 0.00 C ATOM 797 C CYS A 55 5.885 4.570 -2.409 1.00 0.00 C ATOM 798 O CYS A 55 5.763 4.734 -1.194 1.00 0.00 O ATOM 799 CB CYS A 55 4.551 3.293 -4.098 1.00 0.00 C ATOM 800 SG CYS A 55 2.860 3.319 -3.419 1.00 0.00 S ATOM 0 H CYS A 55 4.780 2.598 -1.229 1.00 0.00 H new ATOM 0 HA CYS A 55 6.576 2.876 -3.517 1.00 0.00 H new ATOM 0 HB2 CYS A 55 4.707 4.195 -4.690 1.00 0.00 H new ATOM 0 HB3 CYS A 55 4.645 2.446 -4.777 1.00 0.00 H new ATOM 805 N THR A 56 6.224 5.552 -3.239 1.00 0.00 N ATOM 806 CA THR A 56 6.476 6.905 -2.756 1.00 0.00 C ATOM 807 C THR A 56 6.014 7.946 -3.772 1.00 0.00 C ATOM 808 O THR A 56 6.814 8.735 -4.276 1.00 0.00 O ATOM 809 CB THR A 56 7.964 7.090 -2.456 1.00 0.00 C ATOM 810 OG1 THR A 56 8.213 8.382 -1.931 1.00 0.00 O ATOM 811 CG2 THR A 56 8.847 6.910 -3.671 1.00 0.00 C ATOM 0 H THR A 56 6.330 5.436 -4.247 1.00 0.00 H new ATOM 0 HA THR A 56 5.906 7.048 -1.838 1.00 0.00 H new ATOM 0 HB THR A 56 8.210 6.315 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.946 9.059 -2.587 1.00 0.00 H new ATOM 0 HG21 THR A 56 9.890 7.055 -3.388 1.00 0.00 H new ATOM 0 HG22 THR A 56 8.716 5.904 -4.070 1.00 0.00 H new ATOM 0 HG23 THR A 56 8.573 7.641 -4.432 1.00 0.00 H new ATOM 819 N THR A 57 4.718 7.945 -4.067 1.00 0.00 N ATOM 820 CA THR A 57 4.151 8.892 -5.020 1.00 0.00 C ATOM 821 C THR A 57 2.660 9.093 -4.765 1.00 0.00 C ATOM 822 O THR A 57 1.993 8.226 -4.200 1.00 0.00 O ATOM 823 CB THR A 57 4.379 8.408 -6.453 1.00 0.00 C ATOM 824 OG1 THR A 57 4.591 7.007 -6.483 1.00 0.00 O ATOM 825 CG2 THR A 57 5.566 9.064 -7.124 1.00 0.00 C ATOM 0 H THR A 57 4.041 7.299 -3.660 1.00 0.00 H new ATOM 0 HA THR A 57 4.655 9.849 -4.887 1.00 0.00 H new ATOM 0 HB THR A 57 3.475 8.683 -6.997 1.00 0.00 H new ATOM 0 HG1 THR A 57 4.733 6.717 -7.408 1.00 0.00 H new ATOM 0 HG21 THR A 57 5.671 8.676 -8.137 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.412 10.142 -7.162 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.471 8.847 -6.556 1.00 0.00 H new ATOM 833 N ASP A 58 2.142 10.244 -5.184 1.00 0.00 N ATOM 834 CA ASP A 58 0.733 10.564 -5.002 1.00 0.00 C ATOM 835 C ASP A 58 -0.154 9.514 -5.662 1.00 0.00 C ATOM 836 O ASP A 58 -0.028 9.242 -6.856 1.00 0.00 O ATOM 837 CB ASP A 58 0.432 11.944 -5.583 1.00 0.00 C ATOM 838 CG ASP A 58 1.028 12.138 -6.963 1.00 0.00 C ATOM 839 OD1 ASP A 58 2.264 12.289 -7.060 1.00 0.00 O ATOM 840 OD2 ASP A 58 0.259 12.138 -7.948 1.00 0.00 O ATOM 0 H ASP A 58 2.681 10.972 -5.653 1.00 0.00 H new ATOM 0 HA ASP A 58 0.518 10.569 -3.933 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.648 12.085 -5.634 1.00 0.00 H new ATOM 0 HB3 ASP A 58 0.822 12.710 -4.912 1.00 0.00 H new ATOM 845 N ARG A 59 -1.051 8.925 -4.876 1.00 0.00 N ATOM 846 CA ARG A 59 -1.959 7.901 -5.384 1.00 0.00 C ATOM 847 C ARG A 59 -1.180 6.749 -6.012 1.00 0.00 C ATOM 848 O ARG A 59 -1.656 6.096 -6.940 1.00 0.00 O ATOM 849 CB ARG A 59 -2.919 8.506 -6.412 1.00 0.00 C ATOM 850 CG ARG A 59 -3.845 9.561 -5.829 1.00 0.00 C ATOM 851 CD ARG A 59 -4.811 10.093 -6.875 1.00 0.00 C ATOM 852 NE ARG A 59 -5.898 10.864 -6.273 1.00 0.00 N ATOM 853 CZ ARG A 59 -6.694 11.682 -6.957 1.00 0.00 C ATOM 854 NH1 ARG A 59 -6.530 11.839 -8.264 1.00 0.00 N ATOM 855 NH2 ARG A 59 -7.657 12.345 -6.331 1.00 0.00 N ATOM 0 H ARG A 59 -1.169 9.139 -3.886 1.00 0.00 H new ATOM 0 HA ARG A 59 -2.536 7.511 -4.545 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -2.339 8.950 -7.221 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -3.520 7.709 -6.850 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -4.406 9.135 -4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -3.254 10.383 -5.426 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -4.270 10.721 -7.583 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -5.227 9.260 -7.441 1.00 0.00 H new ATOM 0 HE ARG A 59 -6.055 10.769 -5.270 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -5.791 11.331 -8.750 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -7.143 12.467 -8.783 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -7.787 12.228 -5.326 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -8.268 12.972 -6.854 1.00 0.00 H new ATOM 869 N CYS A 60 0.021 6.509 -5.496 1.00 0.00 N ATOM 870 CA CYS A 60 0.874 5.444 -5.998 1.00 0.00 C ATOM 871 C CYS A 60 0.283 4.065 -5.705 1.00 0.00 C ATOM 872 O CYS A 60 0.725 3.062 -6.267 1.00 0.00 O ATOM 873 CB CYS A 60 2.262 5.564 -5.374 1.00 0.00 C ATOM 874 SG CYS A 60 2.304 5.265 -3.576 1.00 0.00 S ATOM 0 H CYS A 60 0.425 7.042 -4.726 1.00 0.00 H new ATOM 0 HA CYS A 60 0.947 5.548 -7.081 1.00 0.00 H new ATOM 0 HB2 CYS A 60 2.930 4.856 -5.864 1.00 0.00 H new ATOM 0 HB3 CYS A 60 2.653 6.562 -5.574 1.00 0.00 H new ATOM 879 N ASN A 61 -0.713 4.016 -4.823 1.00 0.00 N ATOM 880 CA ASN A 61 -1.350 2.755 -4.465 1.00 0.00 C ATOM 881 C ASN A 61 -2.851 2.801 -4.745 1.00 0.00 C ATOM 882 O ASN A 61 -3.667 2.582 -3.848 1.00 0.00 O ATOM 883 CB ASN A 61 -1.098 2.435 -2.990 1.00 0.00 C ATOM 884 CG ASN A 61 -1.766 3.426 -2.057 1.00 0.00 C ATOM 885 OD1 ASN A 61 -2.484 4.324 -2.497 1.00 0.00 O ATOM 886 ND2 ASN A 61 -1.530 3.269 -0.760 1.00 0.00 N ATOM 0 H ASN A 61 -1.094 4.833 -4.346 1.00 0.00 H new ATOM 0 HA ASN A 61 -0.913 1.967 -5.079 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -1.465 1.432 -2.772 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.024 2.430 -2.801 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -1.951 3.907 -0.084 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -0.928 2.510 -0.439 1.00 0.00 H new ATOM 893 N ASN A 62 -3.208 3.085 -5.993 1.00 0.00 N ATOM 894 CA ASN A 62 -4.610 3.158 -6.388 1.00 0.00 C ATOM 895 C ASN A 62 -5.040 1.882 -7.106 1.00 0.00 C ATOM 896 O ASN A 62 -6.159 1.401 -6.834 1.00 0.00 O ATOM 897 CB ASN A 62 -4.845 4.369 -7.291 1.00 0.00 C ATOM 898 CG ASN A 62 -6.308 4.761 -7.361 1.00 0.00 C ATOM 899 OD1 ASN A 62 -7.132 4.266 -6.592 1.00 0.00 O ATOM 900 ND2 ASN A 62 -6.639 5.652 -8.287 1.00 0.00 N ATOM 901 OXT ASN A 62 -4.254 1.376 -7.934 1.00 0.00 O ATOM 0 H ASN A 62 -2.547 3.268 -6.748 1.00 0.00 H new ATOM 0 HA ASN A 62 -5.211 3.266 -5.485 1.00 0.00 H new ATOM 0 HB2 ASN A 62 -4.263 5.213 -6.922 1.00 0.00 H new ATOM 0 HB3 ASN A 62 -4.483 4.147 -8.295 1.00 0.00 H new ATOM 0 HD21 ASN A 62 -7.609 5.952 -8.382 1.00 0.00 H new ATOM 0 HD22 ASN A 62 -5.923 6.037 -8.904 1.00 0.00 H new TER 908 ASN A 62