USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 566 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot -138:sc= -1.42 USER MOD Single : A 2ALYS NZ :NH3+ 158:sc= -0.341 (180deg=-1.35!) USER MOD Single : A 5 LYS NZ :NH3+ 142:sc= -2.31! (180deg=-5.57!) USER MOD Single : A 6 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot -140:sc= -2.37 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -168:sc= -3.49! USER MOD Single : A 18 HIS : no HD1:sc= -0.262 X(o=-0.26,f=-0.018) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 SER OG : rot 66:sc= 0.554 USER MOD Single : A 47 TYR OH : rot 63:sc= 0.725 USER MOD Single : A 48 ASN : amide:sc= -6.95! C(o=-6.9!,f=-12!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 8:sc= 1.76 USER MOD Single : A 56 SER OG : rot 170:sc= -0.874 USER MOD Single : A 129 SER OG : rot 180:sc= 0 USER MOD Single : A 130 THR OG1 : rot 180:sc= 0.0448 USER MOD Single : A 139 SER OG : rot 180:sc= 0 USER MOD Single : A 140 HIS : no HD1:sc= -5.2! K(o=-5.2!,f=-0.99) USER MOD Single : A 143 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 146 LYS NZ :NH3+ 165:sc= 0.00973 (180deg=-0.178) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 4.772 10.615 7.100 1.00 0.00 N ATOM 2 CA GLY A 1 3.492 9.881 7.300 1.00 0.00 C ATOM 3 C GLY A 1 3.707 8.472 7.817 1.00 0.00 C ATOM 4 O GLY A 1 3.109 8.072 8.816 1.00 0.00 O ATOM 0 H1 GLY A 1 4.572 11.572 6.746 1.00 0.00 H new ATOM 0 H2 GLY A 1 5.280 10.680 8.005 1.00 0.00 H new ATOM 0 H3 GLY A 1 5.360 10.106 6.409 1.00 0.00 H new ATOM 0 HA2 GLY A 1 2.867 10.431 8.003 1.00 0.00 H new ATOM 0 HA3 GLY A 1 2.949 9.840 6.356 1.00 0.00 H new ATOM 10 N SER A 2 4.561 7.717 7.134 1.00 0.00 N ATOM 11 CA SER A 2 4.852 6.344 7.530 1.00 0.00 C ATOM 12 C SER A 2 6.258 5.939 7.101 1.00 0.00 C ATOM 13 O SER A 2 7.072 6.784 6.728 1.00 0.00 O ATOM 14 CB SER A 2 3.823 5.389 6.924 1.00 0.00 C ATOM 15 OG SER A 2 2.505 5.882 7.097 1.00 0.00 O ATOM 0 H SER A 2 5.063 8.032 6.304 1.00 0.00 H new ATOM 0 HA SER A 2 4.795 6.285 8.617 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.028 5.255 5.862 1.00 0.00 H new ATOM 0 HB3 SER A 2 3.912 4.409 7.392 1.00 0.00 H new ATOM 0 HG SER A 2 1.911 5.145 7.351 1.00 0.00 H new ATOM 21 N LYS A 2A 6.538 4.641 7.158 1.00 0.00 N ATOM 22 CA LYS A 2A 7.848 4.119 6.779 1.00 0.00 C ATOM 23 C LYS A 2A 8.270 4.635 5.404 1.00 0.00 C ATOM 24 O LYS A 2A 9.141 5.496 5.302 1.00 0.00 O ATOM 25 CB LYS A 2A 7.835 2.587 6.791 1.00 0.00 C ATOM 26 CG LYS A 2A 7.149 1.994 8.012 1.00 0.00 C ATOM 27 CD LYS A 2A 5.742 1.517 7.685 1.00 0.00 C ATOM 28 CE LYS A 2A 4.882 1.410 8.935 1.00 0.00 C ATOM 29 NZ LYS A 2A 4.994 2.621 9.794 1.00 0.00 N ATOM 0 H LYS A 2A 5.874 3.929 7.464 1.00 0.00 H new ATOM 0 HA LYS A 2A 8.576 4.471 7.510 1.00 0.00 H new ATOM 0 HB2 LYS A 2A 7.332 2.229 5.892 1.00 0.00 H new ATOM 0 HB3 LYS A 2A 8.861 2.223 6.749 1.00 0.00 H new ATOM 0 HG2 LYS A 2A 7.738 1.159 8.392 1.00 0.00 H new ATOM 0 HG3 LYS A 2A 7.106 2.741 8.805 1.00 0.00 H new ATOM 0 HD2 LYS A 2A 5.278 2.208 6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 2A 5.792 0.546 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 2A 3.841 1.265 8.647 1.00 0.00 H new ATOM 0 HE3 LYS A 2A 5.181 0.531 9.506 1.00 0.00 H new ATOM 0 HZ1 LYS A 2A 4.157 2.690 10.408 1.00 0.00 H new ATOM 0 HZ2 LYS A 2A 5.850 2.552 10.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 2A 5.053 3.468 9.194 1.00 0.00 H new ATOM 43 N LEU A 2B 7.641 4.108 4.351 1.00 0.00 N ATOM 44 CA LEU A 2B 7.943 4.516 2.978 1.00 0.00 C ATOM 45 C LEU A 2B 9.454 4.619 2.741 1.00 0.00 C ATOM 46 O LEU A 2B 10.092 3.647 2.337 1.00 0.00 O ATOM 47 CB LEU A 2B 7.257 5.848 2.664 1.00 0.00 C ATOM 48 CG LEU A 2B 5.843 5.724 2.092 1.00 0.00 C ATOM 49 CD1 LEU A 2B 4.981 4.847 2.988 1.00 0.00 C ATOM 50 CD2 LEU A 2B 5.215 7.099 1.925 1.00 0.00 C ATOM 0 H LEU A 2B 6.916 3.394 4.424 1.00 0.00 H new ATOM 0 HA LEU A 2B 7.558 3.750 2.305 1.00 0.00 H new ATOM 0 HB2 LEU A 2B 7.213 6.442 3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 2B 7.874 6.399 1.954 1.00 0.00 H new ATOM 0 HG LEU A 2B 5.907 5.254 1.111 1.00 0.00 H new ATOM 0 HD11 LEU A 2B 3.979 4.770 2.566 1.00 0.00 H new ATOM 0 HD12 LEU A 2B 5.423 3.853 3.058 1.00 0.00 H new ATOM 0 HD13 LEU A 2B 4.923 5.289 3.983 1.00 0.00 H new ATOM 0 HD21 LEU A 2B 4.210 6.993 1.517 1.00 0.00 H new ATOM 0 HD22 LEU A 2B 5.163 7.595 2.894 1.00 0.00 H new ATOM 0 HD23 LEU A 2B 5.822 7.696 1.244 1.00 0.00 H new ATOM 62 N GLU A 3 10.019 5.799 3.002 1.00 0.00 N ATOM 63 CA GLU A 3 11.451 6.032 2.828 1.00 0.00 C ATOM 64 C GLU A 3 11.970 5.455 1.511 1.00 0.00 C ATOM 65 O GLU A 3 13.057 4.879 1.463 1.00 0.00 O ATOM 66 CB GLU A 3 12.231 5.436 4.003 1.00 0.00 C ATOM 67 CG GLU A 3 12.155 3.920 4.078 1.00 0.00 C ATOM 68 CD GLU A 3 13.087 3.341 5.124 1.00 0.00 C ATOM 69 OE1 GLU A 3 14.081 4.013 5.472 1.00 0.00 O ATOM 70 OE2 GLU A 3 12.822 2.215 5.596 1.00 0.00 O ATOM 0 H GLU A 3 9.502 6.612 3.337 1.00 0.00 H new ATOM 0 HA GLU A 3 11.604 7.111 2.799 1.00 0.00 H new ATOM 0 HB2 GLU A 3 13.276 5.735 3.924 1.00 0.00 H new ATOM 0 HB3 GLU A 3 11.849 5.857 4.933 1.00 0.00 H new ATOM 0 HG2 GLU A 3 11.131 3.622 4.304 1.00 0.00 H new ATOM 0 HG3 GLU A 3 12.402 3.499 3.103 1.00 0.00 H new ATOM 77 N GLY A 4 11.194 5.619 0.443 1.00 0.00 N ATOM 78 CA GLY A 4 11.610 5.114 -0.853 1.00 0.00 C ATOM 79 C GLY A 4 10.715 4.012 -1.376 1.00 0.00 C ATOM 80 O GLY A 4 9.561 4.254 -1.730 1.00 0.00 O ATOM 0 H GLY A 4 10.289 6.090 0.452 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.622 5.935 -1.570 1.00 0.00 H new ATOM 0 HA3 GLY A 4 12.631 4.740 -0.780 1.00 0.00 H new ATOM 84 N LYS A 5 11.258 2.800 -1.434 1.00 0.00 N ATOM 85 CA LYS A 5 10.519 1.643 -1.926 1.00 0.00 C ATOM 86 C LYS A 5 10.273 1.750 -3.427 1.00 0.00 C ATOM 87 O LYS A 5 9.939 2.815 -3.938 1.00 0.00 O ATOM 88 CB LYS A 5 9.188 1.494 -1.186 1.00 0.00 C ATOM 89 CG LYS A 5 8.397 0.262 -1.595 1.00 0.00 C ATOM 90 CD LYS A 5 9.272 -0.982 -1.663 1.00 0.00 C ATOM 91 CE LYS A 5 8.593 -2.183 -1.027 1.00 0.00 C ATOM 92 NZ LYS A 5 9.350 -3.441 -1.276 1.00 0.00 N ATOM 0 H LYS A 5 12.214 2.593 -1.144 1.00 0.00 H new ATOM 0 HA LYS A 5 11.125 0.757 -1.737 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.381 1.452 -0.114 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.581 2.381 -1.366 1.00 0.00 H new ATOM 0 HG2 LYS A 5 7.588 0.098 -0.883 1.00 0.00 H new ATOM 0 HG3 LYS A 5 7.935 0.434 -2.567 1.00 0.00 H new ATOM 0 HD2 LYS A 5 9.506 -1.205 -2.704 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.218 -0.789 -1.158 1.00 0.00 H new ATOM 0 HE2 LYS A 5 8.499 -2.021 0.047 1.00 0.00 H new ATOM 0 HE3 LYS A 5 7.583 -2.282 -1.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 9.314 -4.042 -0.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 8.925 -3.949 -2.078 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 10.340 -3.212 -1.496 1.00 0.00 H new ATOM 106 N THR A 6 10.451 0.634 -4.124 1.00 0.00 N ATOM 107 CA THR A 6 10.258 0.582 -5.573 1.00 0.00 C ATOM 108 C THR A 6 8.858 1.046 -5.970 1.00 0.00 C ATOM 109 O THR A 6 7.977 1.201 -5.124 1.00 0.00 O ATOM 110 CB THR A 6 10.495 -0.843 -6.087 1.00 0.00 C ATOM 111 OG1 THR A 6 9.868 -1.037 -7.344 1.00 0.00 O ATOM 112 CG2 THR A 6 9.982 -1.917 -5.148 1.00 0.00 C ATOM 0 H THR A 6 10.731 -0.254 -3.708 1.00 0.00 H new ATOM 0 HA THR A 6 10.981 1.259 -6.027 1.00 0.00 H new ATOM 0 HB THR A 6 11.578 -0.940 -6.166 1.00 0.00 H new ATOM 0 HG1 THR A 6 10.033 -1.952 -7.654 1.00 0.00 H new ATOM 0 HG21 THR A 6 10.183 -2.900 -5.575 1.00 0.00 H new ATOM 0 HG22 THR A 6 10.486 -1.829 -4.185 1.00 0.00 H new ATOM 0 HG23 THR A 6 8.908 -1.795 -5.008 1.00 0.00 H new ATOM 120 N CYS A 7 8.664 1.258 -7.270 1.00 0.00 N ATOM 121 CA CYS A 7 7.374 1.698 -7.799 1.00 0.00 C ATOM 122 C CYS A 7 7.070 1.019 -9.138 1.00 0.00 C ATOM 123 O CYS A 7 6.180 1.451 -9.872 1.00 0.00 O ATOM 124 CB CYS A 7 7.345 3.224 -7.980 1.00 0.00 C ATOM 125 SG CYS A 7 8.699 4.125 -7.151 1.00 0.00 S ATOM 0 H CYS A 7 9.386 1.132 -7.979 1.00 0.00 H new ATOM 0 HA CYS A 7 6.610 1.412 -7.075 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.378 3.449 -9.046 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.394 3.601 -7.604 1.00 0.00 H new ATOM 130 N GLY A 8 7.816 -0.039 -9.455 1.00 0.00 N ATOM 131 CA GLY A 8 7.612 -0.747 -10.708 1.00 0.00 C ATOM 132 C GLY A 8 6.346 -1.586 -10.714 1.00 0.00 C ATOM 133 O GLY A 8 5.314 -1.146 -11.220 1.00 0.00 O ATOM 0 H GLY A 8 8.558 -0.418 -8.866 1.00 0.00 H new ATOM 0 HA2 GLY A 8 7.568 -0.026 -11.524 1.00 0.00 H new ATOM 0 HA3 GLY A 8 8.470 -1.392 -10.899 1.00 0.00 H new ATOM 137 N PRO A 9 6.394 -2.811 -10.158 1.00 0.00 N ATOM 138 CA PRO A 9 5.231 -3.702 -10.112 1.00 0.00 C ATOM 139 C PRO A 9 4.052 -3.053 -9.397 1.00 0.00 C ATOM 140 O PRO A 9 3.994 -1.831 -9.274 1.00 0.00 O ATOM 141 CB PRO A 9 5.729 -4.931 -9.337 1.00 0.00 C ATOM 142 CG PRO A 9 7.001 -4.511 -8.683 1.00 0.00 C ATOM 143 CD PRO A 9 7.579 -3.417 -9.534 1.00 0.00 C ATOM 0 HA PRO A 9 4.867 -3.949 -11.109 1.00 0.00 H new ATOM 0 HB2 PRO A 9 4.995 -5.250 -8.597 1.00 0.00 H new ATOM 0 HB3 PRO A 9 5.894 -5.775 -10.007 1.00 0.00 H new ATOM 0 HG2 PRO A 9 6.817 -4.157 -7.669 1.00 0.00 H new ATOM 0 HG3 PRO A 9 7.693 -5.350 -8.607 1.00 0.00 H new ATOM 0 HD2 PRO A 9 8.133 -2.693 -8.937 1.00 0.00 H new ATOM 0 HD3 PRO A 9 8.270 -3.810 -10.280 1.00 0.00 H new ATOM 151 N SER A 10 3.113 -3.873 -8.927 1.00 0.00 N ATOM 152 CA SER A 10 1.935 -3.370 -8.223 1.00 0.00 C ATOM 153 C SER A 10 2.325 -2.333 -7.171 1.00 0.00 C ATOM 154 O SER A 10 2.578 -2.670 -6.015 1.00 0.00 O ATOM 155 CB SER A 10 1.179 -4.525 -7.564 1.00 0.00 C ATOM 156 OG SER A 10 0.602 -5.379 -8.537 1.00 0.00 O ATOM 0 H SER A 10 3.145 -4.888 -9.021 1.00 0.00 H new ATOM 0 HA SER A 10 1.285 -2.888 -8.954 1.00 0.00 H new ATOM 0 HB2 SER A 10 1.860 -5.096 -6.933 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.398 -4.129 -6.915 1.00 0.00 H new ATOM 0 HG SER A 10 0.126 -6.110 -8.090 1.00 0.00 H new ATOM 162 N SER A 11 2.378 -1.071 -7.587 1.00 0.00 N ATOM 163 CA SER A 11 2.745 0.018 -6.691 1.00 0.00 C ATOM 164 C SER A 11 1.969 1.287 -7.033 1.00 0.00 C ATOM 165 O SER A 11 1.745 1.595 -8.204 1.00 0.00 O ATOM 166 CB SER A 11 4.253 0.287 -6.771 1.00 0.00 C ATOM 167 OG SER A 11 4.913 -0.143 -5.593 1.00 0.00 O ATOM 0 H SER A 11 2.171 -0.778 -8.542 1.00 0.00 H new ATOM 0 HA SER A 11 2.491 -0.278 -5.673 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.672 -0.229 -7.635 1.00 0.00 H new ATOM 0 HB3 SER A 11 4.428 1.352 -6.921 1.00 0.00 H new ATOM 0 HG SER A 11 5.602 0.509 -5.347 1.00 0.00 H new ATOM 173 N PHE A 12 1.563 2.017 -6.001 1.00 0.00 N ATOM 174 CA PHE A 12 0.811 3.253 -6.181 1.00 0.00 C ATOM 175 C PHE A 12 1.639 4.456 -5.734 1.00 0.00 C ATOM 176 O PHE A 12 2.101 4.513 -4.597 1.00 0.00 O ATOM 177 CB PHE A 12 -0.499 3.184 -5.388 1.00 0.00 C ATOM 178 CG PHE A 12 -1.205 4.505 -5.254 1.00 0.00 C ATOM 179 CD1 PHE A 12 -1.720 5.147 -6.368 1.00 0.00 C ATOM 180 CD2 PHE A 12 -1.351 5.102 -4.012 1.00 0.00 C ATOM 181 CE1 PHE A 12 -2.369 6.360 -6.246 1.00 0.00 C ATOM 182 CE2 PHE A 12 -1.999 6.316 -3.884 1.00 0.00 C ATOM 183 CZ PHE A 12 -2.508 6.946 -5.003 1.00 0.00 C ATOM 0 H PHE A 12 1.743 1.773 -5.027 1.00 0.00 H new ATOM 0 HA PHE A 12 0.580 3.372 -7.240 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -1.168 2.474 -5.874 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -0.288 2.794 -4.392 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.613 4.694 -7.343 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.954 4.613 -3.134 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.768 6.850 -7.122 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -2.107 6.771 -2.911 1.00 0.00 H new ATOM 0 HZ PHE A 12 -3.014 7.895 -4.906 1.00 0.00 H new ATOM 193 N SER A 13 1.820 5.417 -6.634 1.00 0.00 N ATOM 194 CA SER A 13 2.590 6.616 -6.324 1.00 0.00 C ATOM 195 C SER A 13 1.842 7.497 -5.327 1.00 0.00 C ATOM 196 O SER A 13 0.721 7.931 -5.591 1.00 0.00 O ATOM 197 CB SER A 13 2.888 7.401 -7.603 1.00 0.00 C ATOM 198 OG SER A 13 4.259 7.312 -7.950 1.00 0.00 O ATOM 0 H SER A 13 1.445 5.389 -7.582 1.00 0.00 H new ATOM 0 HA SER A 13 3.533 6.309 -5.871 1.00 0.00 H new ATOM 0 HB2 SER A 13 2.277 7.016 -8.420 1.00 0.00 H new ATOM 0 HB3 SER A 13 2.612 8.446 -7.464 1.00 0.00 H new ATOM 0 HG SER A 13 4.422 7.821 -8.772 1.00 0.00 H new ATOM 204 N CYS A 14 2.465 7.754 -4.178 1.00 0.00 N ATOM 205 CA CYS A 14 1.850 8.578 -3.143 1.00 0.00 C ATOM 206 C CYS A 14 1.532 9.978 -3.674 1.00 0.00 C ATOM 207 O CYS A 14 2.435 10.776 -3.925 1.00 0.00 O ATOM 208 CB CYS A 14 2.768 8.679 -1.921 1.00 0.00 C ATOM 209 SG CYS A 14 2.444 7.445 -0.613 1.00 0.00 S ATOM 0 H CYS A 14 3.393 7.404 -3.942 1.00 0.00 H new ATOM 0 HA CYS A 14 0.916 8.101 -2.846 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.801 8.574 -2.251 1.00 0.00 H new ATOM 0 HB3 CYS A 14 2.670 9.676 -1.492 1.00 0.00 H new ATOM 214 N PRO A 15 0.237 10.292 -3.850 1.00 0.00 N ATOM 215 CA PRO A 15 -0.204 11.599 -4.351 1.00 0.00 C ATOM 216 C PRO A 15 0.379 12.761 -3.554 1.00 0.00 C ATOM 217 O PRO A 15 0.284 12.793 -2.327 1.00 0.00 O ATOM 218 CB PRO A 15 -1.723 11.556 -4.179 1.00 0.00 C ATOM 219 CG PRO A 15 -2.071 10.109 -4.186 1.00 0.00 C ATOM 220 CD PRO A 15 -0.899 9.397 -3.572 1.00 0.00 C ATOM 0 HA PRO A 15 0.122 11.764 -5.378 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -2.028 12.031 -3.246 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -2.227 12.087 -4.987 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -2.982 9.924 -3.616 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -2.253 9.757 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -1.038 9.247 -2.501 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.751 8.412 -4.016 1.00 0.00 H new ATOM 228 N GLY A 16 0.973 13.718 -4.260 1.00 0.00 N ATOM 229 CA GLY A 16 1.552 14.874 -3.602 1.00 0.00 C ATOM 230 C GLY A 16 3.020 14.692 -3.267 1.00 0.00 C ATOM 231 O GLY A 16 3.772 15.664 -3.204 1.00 0.00 O ATOM 0 H GLY A 16 1.063 13.713 -5.276 1.00 0.00 H new ATOM 0 HA2 GLY A 16 1.437 15.747 -4.245 1.00 0.00 H new ATOM 0 HA3 GLY A 16 0.999 15.079 -2.686 1.00 0.00 H new ATOM 235 N THR A 17 3.429 13.447 -3.044 1.00 0.00 N ATOM 236 CA THR A 17 4.816 13.150 -2.707 1.00 0.00 C ATOM 237 C THR A 17 5.459 12.250 -3.757 1.00 0.00 C ATOM 238 O THR A 17 4.834 11.314 -4.256 1.00 0.00 O ATOM 239 CB THR A 17 4.891 12.481 -1.334 1.00 0.00 C ATOM 240 OG1 THR A 17 4.003 11.381 -1.264 1.00 0.00 O ATOM 241 CG2 THR A 17 4.552 13.414 -0.194 1.00 0.00 C ATOM 0 H THR A 17 2.821 12.629 -3.091 1.00 0.00 H new ATOM 0 HA THR A 17 5.365 14.091 -2.682 1.00 0.00 H new ATOM 0 HB THR A 17 5.927 12.162 -1.226 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.922 11.085 -0.333 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.625 12.875 0.751 1.00 0.00 H new ATOM 0 HG22 THR A 17 5.250 14.251 -0.189 1.00 0.00 H new ATOM 0 HG23 THR A 17 3.536 13.789 -0.321 1.00 0.00 H new ATOM 249 N HIS A 18 6.715 12.538 -4.080 1.00 0.00 N ATOM 250 CA HIS A 18 7.456 11.754 -5.062 1.00 0.00 C ATOM 251 C HIS A 18 7.497 10.281 -4.663 1.00 0.00 C ATOM 252 O HIS A 18 7.691 9.402 -5.504 1.00 0.00 O ATOM 253 CB HIS A 18 8.882 12.292 -5.192 1.00 0.00 C ATOM 254 CG HIS A 18 9.699 12.101 -3.951 1.00 0.00 C ATOM 255 ND1 HIS A 18 9.864 13.065 -2.982 1.00 0.00 N ATOM 256 CD2 HIS A 18 10.392 11.016 -3.521 1.00 0.00 C ATOM 257 CE1 HIS A 18 10.634 12.547 -2.015 1.00 0.00 C ATOM 258 NE2 HIS A 18 10.981 11.306 -2.294 1.00 0.00 N ATOM 0 H HIS A 18 7.243 13.311 -3.675 1.00 0.00 H new ATOM 0 HA HIS A 18 6.946 11.840 -6.022 1.00 0.00 H new ATOM 0 HB2 HIS A 18 9.377 11.794 -6.026 1.00 0.00 H new ATOM 0 HB3 HIS A 18 8.842 13.354 -5.433 1.00 0.00 H new ATOM 0 HD2 HIS A 18 10.473 10.077 -4.048 1.00 0.00 H new ATOM 0 HE1 HIS A 18 10.932 13.078 -1.123 1.00 0.00 H new ATOM 0 HE2 HIS A 18 11.561 10.687 -1.728 1.00 0.00 H new ATOM 266 N VAL A 19 7.320 10.023 -3.372 1.00 0.00 N ATOM 267 CA VAL A 19 7.343 8.667 -2.847 1.00 0.00 C ATOM 268 C VAL A 19 6.286 7.794 -3.516 1.00 0.00 C ATOM 269 O VAL A 19 5.229 8.277 -3.919 1.00 0.00 O ATOM 270 CB VAL A 19 7.114 8.666 -1.323 1.00 0.00 C ATOM 271 CG1 VAL A 19 5.755 9.260 -0.984 1.00 0.00 C ATOM 272 CG2 VAL A 19 7.246 7.261 -0.759 1.00 0.00 C ATOM 0 H VAL A 19 7.158 10.742 -2.667 1.00 0.00 H new ATOM 0 HA VAL A 19 8.328 8.254 -3.065 1.00 0.00 H new ATOM 0 HB VAL A 19 7.881 9.288 -0.862 1.00 0.00 H new ATOM 0 HG11 VAL A 19 5.613 9.250 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 19 5.706 10.287 -1.347 1.00 0.00 H new ATOM 0 HG13 VAL A 19 4.971 8.669 -1.458 1.00 0.00 H new ATOM 0 HG21 VAL A 19 7.080 7.284 0.318 1.00 0.00 H new ATOM 0 HG22 VAL A 19 6.506 6.611 -1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 19 8.246 6.879 -0.964 1.00 0.00 H new ATOM 282 N CYS A 20 6.582 6.503 -3.625 1.00 0.00 N ATOM 283 CA CYS A 20 5.660 5.555 -4.238 1.00 0.00 C ATOM 284 C CYS A 20 5.270 4.469 -3.242 1.00 0.00 C ATOM 285 O CYS A 20 6.112 3.693 -2.790 1.00 0.00 O ATOM 286 CB CYS A 20 6.286 4.927 -5.484 1.00 0.00 C ATOM 287 SG CYS A 20 8.017 4.409 -5.260 1.00 0.00 S ATOM 0 H CYS A 20 7.454 6.089 -3.296 1.00 0.00 H new ATOM 0 HA CYS A 20 4.761 6.096 -4.534 1.00 0.00 H new ATOM 0 HB2 CYS A 20 5.693 4.061 -5.779 1.00 0.00 H new ATOM 0 HB3 CYS A 20 6.235 5.643 -6.304 1.00 0.00 H new ATOM 292 N VAL A 21 3.988 4.425 -2.900 1.00 0.00 N ATOM 293 CA VAL A 21 3.479 3.442 -1.953 1.00 0.00 C ATOM 294 C VAL A 21 2.994 2.185 -2.676 1.00 0.00 C ATOM 295 O VAL A 21 2.123 2.255 -3.541 1.00 0.00 O ATOM 296 CB VAL A 21 2.330 4.032 -1.109 1.00 0.00 C ATOM 297 CG1 VAL A 21 1.270 4.658 -2.004 1.00 0.00 C ATOM 298 CG2 VAL A 21 1.715 2.975 -0.204 1.00 0.00 C ATOM 0 H VAL A 21 3.280 5.061 -3.266 1.00 0.00 H new ATOM 0 HA VAL A 21 4.300 3.171 -1.289 1.00 0.00 H new ATOM 0 HB VAL A 21 2.748 4.814 -0.475 1.00 0.00 H new ATOM 0 HG11 VAL A 21 0.469 5.068 -1.388 1.00 0.00 H new ATOM 0 HG12 VAL A 21 1.718 5.457 -2.595 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.862 3.898 -2.671 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.908 3.420 0.379 1.00 0.00 H new ATOM 0 HG22 VAL A 21 1.318 2.162 -0.812 1.00 0.00 H new ATOM 0 HG23 VAL A 21 2.477 2.585 0.470 1.00 0.00 H new ATOM 308 N PRO A 22 3.560 1.013 -2.334 1.00 0.00 N ATOM 309 CA PRO A 22 3.186 -0.260 -2.961 1.00 0.00 C ATOM 310 C PRO A 22 1.707 -0.592 -2.798 1.00 0.00 C ATOM 311 O PRO A 22 1.039 -0.079 -1.901 1.00 0.00 O ATOM 312 CB PRO A 22 4.040 -1.297 -2.227 1.00 0.00 C ATOM 313 CG PRO A 22 5.159 -0.526 -1.618 1.00 0.00 C ATOM 314 CD PRO A 22 4.612 0.839 -1.318 1.00 0.00 C ATOM 0 HA PRO A 22 3.353 -0.231 -4.038 1.00 0.00 H new ATOM 0 HB2 PRO A 22 3.459 -1.816 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 22 4.414 -2.056 -2.914 1.00 0.00 H new ATOM 0 HG2 PRO A 22 5.516 -1.011 -0.709 1.00 0.00 H new ATOM 0 HG3 PRO A 22 6.006 -0.464 -2.301 1.00 0.00 H new ATOM 0 HD2 PRO A 22 4.209 0.897 -0.307 1.00 0.00 H new ATOM 0 HD3 PRO A 22 5.381 1.607 -1.399 1.00 0.00 H new ATOM 322 N GLU A 23 1.206 -1.463 -3.671 1.00 0.00 N ATOM 323 CA GLU A 23 -0.192 -1.876 -3.623 1.00 0.00 C ATOM 324 C GLU A 23 -0.507 -2.547 -2.290 1.00 0.00 C ATOM 325 O GLU A 23 -1.593 -2.376 -1.740 1.00 0.00 O ATOM 326 CB GLU A 23 -0.506 -2.827 -4.779 1.00 0.00 C ATOM 327 CG GLU A 23 -1.815 -2.514 -5.484 1.00 0.00 C ATOM 328 CD GLU A 23 -2.002 -3.322 -6.753 1.00 0.00 C ATOM 329 OE1 GLU A 23 -2.168 -4.556 -6.652 1.00 0.00 O ATOM 330 OE2 GLU A 23 -1.981 -2.721 -7.848 1.00 0.00 O ATOM 0 H GLU A 23 1.748 -1.895 -4.419 1.00 0.00 H new ATOM 0 HA GLU A 23 -0.816 -0.988 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 23 0.307 -2.785 -5.504 1.00 0.00 H new ATOM 0 HB3 GLU A 23 -0.542 -3.848 -4.399 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -2.645 -2.712 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -1.848 -1.452 -5.726 1.00 0.00 H new ATOM 337 N ARG A 24 0.453 -3.303 -1.768 1.00 0.00 N ATOM 338 CA ARG A 24 0.272 -3.982 -0.491 1.00 0.00 C ATOM 339 C ARG A 24 0.180 -2.957 0.640 1.00 0.00 C ATOM 340 O ARG A 24 -0.307 -3.257 1.729 1.00 0.00 O ATOM 341 CB ARG A 24 1.426 -4.970 -0.247 1.00 0.00 C ATOM 342 CG ARG A 24 1.736 -5.246 1.222 1.00 0.00 C ATOM 343 CD ARG A 24 0.613 -6.016 1.901 1.00 0.00 C ATOM 344 NE ARG A 24 1.053 -6.645 3.145 1.00 0.00 N ATOM 345 CZ ARG A 24 0.237 -6.948 4.154 1.00 0.00 C ATOM 346 NH1 ARG A 24 -1.065 -6.701 4.065 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.723 -7.506 5.255 1.00 0.00 N ATOM 0 H ARG A 24 1.360 -3.460 -2.207 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.660 -4.547 -0.516 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.186 -5.914 -0.736 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.325 -4.582 -0.726 1.00 0.00 H new ATOM 0 HG2 ARG A 24 2.663 -5.814 1.297 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.897 -4.302 1.743 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.215 -5.339 2.110 1.00 0.00 H new ATOM 0 HD3 ARG A 24 0.236 -6.781 1.222 1.00 0.00 H new ATOM 0 HE ARG A 24 2.044 -6.865 3.247 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.447 -6.276 3.220 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.683 -6.936 4.842 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.721 -7.703 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.099 -7.738 6.027 1.00 0.00 H new ATOM 361 N TRP A 25 0.657 -1.745 0.373 1.00 0.00 N ATOM 362 CA TRP A 25 0.634 -0.680 1.364 1.00 0.00 C ATOM 363 C TRP A 25 -0.574 0.238 1.161 1.00 0.00 C ATOM 364 O TRP A 25 -0.638 1.324 1.735 1.00 0.00 O ATOM 365 CB TRP A 25 1.923 0.140 1.283 1.00 0.00 C ATOM 366 CG TRP A 25 3.181 -0.662 1.465 1.00 0.00 C ATOM 367 CD1 TRP A 25 3.356 -1.999 1.235 1.00 0.00 C ATOM 368 CD2 TRP A 25 4.447 -0.165 1.911 1.00 0.00 C ATOM 369 NE1 TRP A 25 4.653 -2.359 1.511 1.00 0.00 N ATOM 370 CE2 TRP A 25 5.342 -1.251 1.928 1.00 0.00 C ATOM 371 CE3 TRP A 25 4.910 1.095 2.298 1.00 0.00 C ATOM 372 CZ2 TRP A 25 6.672 -1.115 2.315 1.00 0.00 C ATOM 373 CZ3 TRP A 25 6.230 1.229 2.682 1.00 0.00 C ATOM 374 CH2 TRP A 25 7.098 0.130 2.688 1.00 0.00 C ATOM 0 H TRP A 25 1.064 -1.478 -0.523 1.00 0.00 H new ATOM 0 HA TRP A 25 0.555 -1.139 2.349 1.00 0.00 H new ATOM 0 HB2 TRP A 25 1.962 0.639 0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 25 1.891 0.921 2.043 1.00 0.00 H new ATOM 0 HD1 TRP A 25 2.587 -2.673 0.887 1.00 0.00 H new ATOM 0 HE1 TRP A 25 5.040 -3.298 1.420 1.00 0.00 H new ATOM 0 HE3 TRP A 25 4.248 1.948 2.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 7.343 -1.961 2.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 6.599 2.198 2.983 1.00 0.00 H new ATOM 0 HH2 TRP A 25 8.125 0.268 2.993 1.00 0.00 H new ATOM 385 N LEU A 26 -1.529 -0.201 0.340 1.00 0.00 N ATOM 386 CA LEU A 26 -2.728 0.586 0.068 1.00 0.00 C ATOM 387 C LEU A 26 -3.770 0.385 1.164 1.00 0.00 C ATOM 388 O LEU A 26 -3.981 1.258 2.005 1.00 0.00 O ATOM 389 CB LEU A 26 -3.320 0.196 -1.291 1.00 0.00 C ATOM 390 CG LEU A 26 -2.966 1.127 -2.454 1.00 0.00 C ATOM 391 CD1 LEU A 26 -1.489 1.498 -2.425 1.00 0.00 C ATOM 392 CD2 LEU A 26 -3.328 0.477 -3.781 1.00 0.00 C ATOM 0 H LEU A 26 -1.494 -1.097 -0.147 1.00 0.00 H new ATOM 0 HA LEU A 26 -2.446 1.639 0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -2.984 -0.811 -1.539 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -4.405 0.156 -1.197 1.00 0.00 H new ATOM 0 HG LEU A 26 -3.546 2.044 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.264 2.160 -3.261 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.260 2.006 -1.488 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.885 0.594 -2.505 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -3.071 1.151 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.775 -0.456 -3.892 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -4.398 0.270 -3.805 1.00 0.00 H new ATOM 404 N CYS A 27 -4.420 -0.772 1.140 1.00 0.00 N ATOM 405 CA CYS A 27 -5.446 -1.100 2.124 1.00 0.00 C ATOM 406 C CYS A 27 -4.887 -2.013 3.211 1.00 0.00 C ATOM 407 O CYS A 27 -5.614 -2.818 3.794 1.00 0.00 O ATOM 408 CB CYS A 27 -6.638 -1.773 1.441 1.00 0.00 C ATOM 409 SG CYS A 27 -7.123 -1.001 -0.135 1.00 0.00 S ATOM 0 H CYS A 27 -4.254 -1.502 0.447 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.777 -0.172 2.590 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -6.396 -2.821 1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -7.490 -1.755 2.120 1.00 0.00 H new ATOM 414 N ASP A 28 -3.592 -1.881 3.480 1.00 0.00 N ATOM 415 CA ASP A 28 -2.934 -2.693 4.496 1.00 0.00 C ATOM 416 C ASP A 28 -3.531 -2.416 5.875 1.00 0.00 C ATOM 417 O ASP A 28 -3.531 -3.284 6.748 1.00 0.00 O ATOM 418 CB ASP A 28 -1.418 -2.427 4.484 1.00 0.00 C ATOM 419 CG ASP A 28 -0.896 -1.832 5.781 1.00 0.00 C ATOM 420 OD1 ASP A 28 -1.374 -0.746 6.171 1.00 0.00 O ATOM 421 OD2 ASP A 28 -0.009 -2.453 6.405 1.00 0.00 O ATOM 0 H ASP A 28 -2.977 -1.218 3.007 1.00 0.00 H new ATOM 0 HA ASP A 28 -3.099 -3.746 4.268 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -0.895 -3.363 4.286 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.182 -1.750 3.663 1.00 0.00 H new ATOM 426 N GLY A 29 -4.039 -1.202 6.062 1.00 0.00 N ATOM 427 CA GLY A 29 -4.631 -0.834 7.334 1.00 0.00 C ATOM 428 C GLY A 29 -3.854 0.258 8.044 1.00 0.00 C ATOM 429 O GLY A 29 -3.846 0.325 9.273 1.00 0.00 O ATOM 0 H GLY A 29 -4.051 -0.467 5.355 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -5.655 -0.499 7.171 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -4.682 -1.714 7.975 1.00 0.00 H new ATOM 433 N ASP A 30 -3.201 1.114 7.267 1.00 0.00 N ATOM 434 CA ASP A 30 -2.416 2.211 7.822 1.00 0.00 C ATOM 435 C ASP A 30 -2.033 3.204 6.730 1.00 0.00 C ATOM 436 O ASP A 30 -1.366 2.847 5.761 1.00 0.00 O ATOM 437 CB ASP A 30 -1.157 1.672 8.503 1.00 0.00 C ATOM 438 CG ASP A 30 -1.387 1.332 9.962 1.00 0.00 C ATOM 439 OD1 ASP A 30 -1.621 2.264 10.760 1.00 0.00 O ATOM 440 OD2 ASP A 30 -1.334 0.133 10.308 1.00 0.00 O ATOM 0 H ASP A 30 -3.199 1.070 6.248 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.026 2.727 8.563 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.815 0.782 7.975 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.361 2.413 8.427 1.00 0.00 H new ATOM 445 N LYS A 31 -2.463 4.452 6.891 1.00 0.00 N ATOM 446 CA LYS A 31 -2.168 5.497 5.915 1.00 0.00 C ATOM 447 C LYS A 31 -0.666 5.630 5.685 1.00 0.00 C ATOM 448 O LYS A 31 0.008 6.419 6.347 1.00 0.00 O ATOM 449 CB LYS A 31 -2.745 6.833 6.380 1.00 0.00 C ATOM 450 CG LYS A 31 -4.263 6.848 6.433 1.00 0.00 C ATOM 451 CD LYS A 31 -4.795 8.206 6.859 1.00 0.00 C ATOM 452 CE LYS A 31 -6.043 8.586 6.078 1.00 0.00 C ATOM 453 NZ LYS A 31 -7.050 9.270 6.937 1.00 0.00 N ATOM 0 H LYS A 31 -3.017 4.765 7.688 1.00 0.00 H new ATOM 0 HA LYS A 31 -2.633 5.214 4.971 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -2.352 7.066 7.370 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -2.404 7.621 5.708 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -4.664 6.591 5.453 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -4.611 6.086 7.130 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.022 8.191 7.925 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -4.025 8.963 6.708 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -5.768 9.240 5.250 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.486 7.690 5.643 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.885 9.512 6.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.332 8.637 7.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -6.637 10.139 7.332 1.00 0.00 H new ATOM 467 N ASP A 32 -0.152 4.851 4.741 1.00 0.00 N ATOM 468 CA ASP A 32 1.267 4.874 4.413 1.00 0.00 C ATOM 469 C ASP A 32 1.662 6.212 3.795 1.00 0.00 C ATOM 470 O ASP A 32 2.717 6.763 4.108 1.00 0.00 O ATOM 471 CB ASP A 32 1.606 3.736 3.449 1.00 0.00 C ATOM 472 CG ASP A 32 1.571 2.378 4.122 1.00 0.00 C ATOM 473 OD1 ASP A 32 2.514 2.066 4.879 1.00 0.00 O ATOM 474 OD2 ASP A 32 0.601 1.626 3.891 1.00 0.00 O ATOM 0 H ASP A 32 -0.700 4.193 4.187 1.00 0.00 H new ATOM 0 HA ASP A 32 1.830 4.741 5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.900 3.745 2.618 1.00 0.00 H new ATOM 0 HB3 ASP A 32 2.597 3.904 3.027 1.00 0.00 H new ATOM 479 N CYS A 33 0.807 6.730 2.919 1.00 0.00 N ATOM 480 CA CYS A 33 1.070 8.005 2.263 1.00 0.00 C ATOM 481 C CYS A 33 1.013 9.147 3.271 1.00 0.00 C ATOM 482 O CYS A 33 0.860 8.922 4.472 1.00 0.00 O ATOM 483 CB CYS A 33 0.057 8.253 1.139 1.00 0.00 C ATOM 484 SG CYS A 33 0.419 7.392 -0.432 1.00 0.00 S ATOM 0 H CYS A 33 -0.071 6.288 2.648 1.00 0.00 H new ATOM 0 HA CYS A 33 2.070 7.964 1.832 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -0.930 7.945 1.485 1.00 0.00 H new ATOM 0 HB3 CYS A 33 0.007 9.325 0.945 1.00 0.00 H new ATOM 489 N ALA A 34 1.139 10.372 2.775 1.00 0.00 N ATOM 490 CA ALA A 34 1.105 11.550 3.630 1.00 0.00 C ATOM 491 C ALA A 34 -0.297 11.805 4.173 1.00 0.00 C ATOM 492 O ALA A 34 -0.461 12.218 5.321 1.00 0.00 O ATOM 493 CB ALA A 34 1.598 12.764 2.860 1.00 0.00 C ATOM 0 H ALA A 34 1.266 10.575 1.783 1.00 0.00 H new ATOM 0 HA ALA A 34 1.763 11.369 4.480 1.00 0.00 H new ATOM 0 HB1 ALA A 34 1.569 13.641 3.506 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.621 12.592 2.526 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.957 12.931 1.994 1.00 0.00 H new ATOM 499 N ASP A 35 -1.305 11.564 3.340 1.00 0.00 N ATOM 500 CA ASP A 35 -2.692 11.778 3.743 1.00 0.00 C ATOM 501 C ASP A 35 -3.527 10.515 3.555 1.00 0.00 C ATOM 502 O ASP A 35 -4.720 10.589 3.260 1.00 0.00 O ATOM 503 CB ASP A 35 -3.303 12.929 2.942 1.00 0.00 C ATOM 504 CG ASP A 35 -2.614 14.251 3.214 1.00 0.00 C ATOM 505 OD1 ASP A 35 -1.383 14.332 3.018 1.00 0.00 O ATOM 506 OD2 ASP A 35 -3.306 15.207 3.625 1.00 0.00 O ATOM 0 H ASP A 35 -1.189 11.222 2.386 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.696 12.033 4.803 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -3.240 12.701 1.878 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -4.362 13.017 3.187 1.00 0.00 H new ATOM 511 N GLY A 36 -2.899 9.357 3.733 1.00 0.00 N ATOM 512 CA GLY A 36 -3.612 8.101 3.583 1.00 0.00 C ATOM 513 C GLY A 36 -4.084 7.858 2.166 1.00 0.00 C ATOM 514 O GLY A 36 -5.014 7.083 1.941 1.00 0.00 O ATOM 0 H GLY A 36 -1.913 9.266 3.977 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -2.962 7.281 3.890 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.472 8.095 4.253 1.00 0.00 H new ATOM 518 N ALA A 37 -3.438 8.510 1.204 1.00 0.00 N ATOM 519 CA ALA A 37 -3.798 8.345 -0.197 1.00 0.00 C ATOM 520 C ALA A 37 -3.752 6.874 -0.590 1.00 0.00 C ATOM 521 O ALA A 37 -4.571 6.403 -1.380 1.00 0.00 O ATOM 522 CB ALA A 37 -2.871 9.160 -1.079 1.00 0.00 C ATOM 0 H ALA A 37 -2.665 9.155 1.370 1.00 0.00 H new ATOM 0 HA ALA A 37 -4.817 8.706 -0.338 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -3.152 9.027 -2.124 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -2.950 10.214 -0.814 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -1.844 8.825 -0.934 1.00 0.00 H new ATOM 528 N ASP A 38 -2.796 6.149 -0.015 1.00 0.00 N ATOM 529 CA ASP A 38 -2.648 4.725 -0.286 1.00 0.00 C ATOM 530 C ASP A 38 -3.931 3.990 0.078 1.00 0.00 C ATOM 531 O ASP A 38 -4.404 3.130 -0.664 1.00 0.00 O ATOM 532 CB ASP A 38 -1.475 4.154 0.512 1.00 0.00 C ATOM 533 CG ASP A 38 -1.685 4.271 2.007 1.00 0.00 C ATOM 534 OD1 ASP A 38 -1.624 5.405 2.527 1.00 0.00 O ATOM 535 OD2 ASP A 38 -1.910 3.231 2.659 1.00 0.00 O ATOM 0 H ASP A 38 -2.113 6.526 0.642 1.00 0.00 H new ATOM 0 HA ASP A 38 -2.449 4.589 -1.349 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -1.335 3.106 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -0.560 4.678 0.234 1.00 0.00 H new ATOM 540 N GLU A 39 -4.496 4.355 1.222 1.00 0.00 N ATOM 541 CA GLU A 39 -5.736 3.753 1.689 1.00 0.00 C ATOM 542 C GLU A 39 -6.925 4.353 0.946 1.00 0.00 C ATOM 543 O GLU A 39 -7.988 3.739 0.853 1.00 0.00 O ATOM 544 CB GLU A 39 -5.899 3.968 3.194 1.00 0.00 C ATOM 545 CG GLU A 39 -4.787 3.344 4.020 1.00 0.00 C ATOM 546 CD GLU A 39 -5.257 2.143 4.818 1.00 0.00 C ATOM 547 OE1 GLU A 39 -6.135 2.316 5.689 1.00 0.00 O ATOM 548 OE2 GLU A 39 -4.747 1.030 4.571 1.00 0.00 O ATOM 0 H GLU A 39 -4.113 5.067 1.844 1.00 0.00 H new ATOM 0 HA GLU A 39 -5.697 2.682 1.490 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -5.936 5.038 3.398 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -6.854 3.550 3.511 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -3.975 3.041 3.359 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -4.382 4.092 4.701 1.00 0.00 H new ATOM 555 N SER A 40 -6.732 5.559 0.416 1.00 0.00 N ATOM 556 CA SER A 40 -7.777 6.250 -0.323 1.00 0.00 C ATOM 557 C SER A 40 -8.045 5.563 -1.654 1.00 0.00 C ATOM 558 O SER A 40 -7.173 4.894 -2.208 1.00 0.00 O ATOM 559 CB SER A 40 -7.385 7.710 -0.559 1.00 0.00 C ATOM 560 OG SER A 40 -7.314 8.424 0.664 1.00 0.00 O ATOM 0 H SER A 40 -5.856 6.077 0.487 1.00 0.00 H new ATOM 0 HA SER A 40 -8.690 6.218 0.272 1.00 0.00 H new ATOM 0 HB2 SER A 40 -6.421 7.753 -1.065 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.113 8.183 -1.218 1.00 0.00 H new ATOM 0 HG SER A 40 -6.575 8.074 1.205 1.00 0.00 H new ATOM 566 N ILE A 41 -9.258 5.735 -2.160 1.00 0.00 N ATOM 567 CA ILE A 41 -9.650 5.136 -3.426 1.00 0.00 C ATOM 568 C ILE A 41 -8.724 5.576 -4.556 1.00 0.00 C ATOM 569 O ILE A 41 -8.596 4.890 -5.570 1.00 0.00 O ATOM 570 CB ILE A 41 -11.102 5.501 -3.776 1.00 0.00 C ATOM 571 CG1 ILE A 41 -11.605 4.633 -4.924 1.00 0.00 C ATOM 572 CG2 ILE A 41 -11.217 6.976 -4.123 1.00 0.00 C ATOM 573 CD1 ILE A 41 -12.238 3.339 -4.464 1.00 0.00 C ATOM 0 H ILE A 41 -9.989 6.286 -1.711 1.00 0.00 H new ATOM 0 HA ILE A 41 -9.572 4.055 -3.313 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.726 5.311 -2.903 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -12.333 5.199 -5.506 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -10.772 4.405 -5.590 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -12.253 7.213 -4.367 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -10.899 7.576 -3.270 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -10.582 7.199 -4.980 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -12.574 2.770 -5.331 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -11.506 2.754 -3.907 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -13.091 3.559 -3.822 1.00 0.00 H new ATOM 585 N ALA A 42 -8.076 6.723 -4.371 1.00 0.00 N ATOM 586 CA ALA A 42 -7.156 7.255 -5.370 1.00 0.00 C ATOM 587 C ALA A 42 -6.136 6.202 -5.794 1.00 0.00 C ATOM 588 O ALA A 42 -5.610 6.242 -6.906 1.00 0.00 O ATOM 589 CB ALA A 42 -6.448 8.484 -4.824 1.00 0.00 C ATOM 0 H ALA A 42 -8.172 7.302 -3.537 1.00 0.00 H new ATOM 0 HA ALA A 42 -7.734 7.538 -6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -5.763 8.874 -5.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -7.185 9.247 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -5.887 8.213 -3.929 1.00 0.00 H new ATOM 595 N ALA A 43 -5.863 5.262 -4.895 1.00 0.00 N ATOM 596 CA ALA A 43 -4.908 4.195 -5.164 1.00 0.00 C ATOM 597 C ALA A 43 -5.605 2.942 -5.684 1.00 0.00 C ATOM 598 O ALA A 43 -4.979 2.088 -6.312 1.00 0.00 O ATOM 599 CB ALA A 43 -4.128 3.869 -3.900 1.00 0.00 C ATOM 0 H ALA A 43 -6.292 5.218 -3.971 1.00 0.00 H new ATOM 0 HA ALA A 43 -4.222 4.542 -5.936 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.416 3.071 -4.108 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.591 4.756 -3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.818 3.546 -3.120 1.00 0.00 H new ATOM 605 N GLY A 44 -6.900 2.833 -5.409 1.00 0.00 N ATOM 606 CA GLY A 44 -7.656 1.675 -5.845 1.00 0.00 C ATOM 607 C GLY A 44 -8.047 0.789 -4.684 1.00 0.00 C ATOM 608 O GLY A 44 -8.112 -0.433 -4.815 1.00 0.00 O ATOM 0 H GLY A 44 -7.440 3.527 -4.891 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.553 2.003 -6.370 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -7.063 1.101 -6.557 1.00 0.00 H new ATOM 612 N CYS A 45 -8.303 1.414 -3.540 1.00 0.00 N ATOM 613 CA CYS A 45 -8.688 0.690 -2.336 1.00 0.00 C ATOM 614 C CYS A 45 -10.150 0.232 -2.398 1.00 0.00 C ATOM 615 O CYS A 45 -10.647 -0.391 -1.461 1.00 0.00 O ATOM 616 CB CYS A 45 -8.460 1.570 -1.106 1.00 0.00 C ATOM 617 SG CYS A 45 -8.136 0.661 0.442 1.00 0.00 S ATOM 0 H CYS A 45 -8.250 2.426 -3.422 1.00 0.00 H new ATOM 0 HA CYS A 45 -8.065 -0.202 -2.264 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -7.618 2.233 -1.303 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -9.337 2.202 -0.962 1.00 0.00 H new ATOM 622 N LEU A 46 -10.829 0.535 -3.509 1.00 0.00 N ATOM 623 CA LEU A 46 -12.228 0.146 -3.707 1.00 0.00 C ATOM 624 C LEU A 46 -13.190 1.038 -2.925 1.00 0.00 C ATOM 625 O LEU A 46 -14.131 1.591 -3.494 1.00 0.00 O ATOM 626 CB LEU A 46 -12.449 -1.324 -3.323 1.00 0.00 C ATOM 627 CG LEU A 46 -11.485 -2.335 -3.962 1.00 0.00 C ATOM 628 CD1 LEU A 46 -10.938 -1.819 -5.286 1.00 0.00 C ATOM 629 CD2 LEU A 46 -10.349 -2.669 -3.005 1.00 0.00 C ATOM 0 H LEU A 46 -10.428 1.053 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 46 -12.442 0.274 -4.768 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -12.372 -1.412 -2.239 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -13.468 -1.601 -3.594 1.00 0.00 H new ATOM 0 HG LEU A 46 -12.045 -3.247 -4.167 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -10.259 -2.558 -5.712 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -11.763 -1.643 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -10.400 -0.886 -5.118 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -9.676 -3.387 -3.475 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.798 -1.760 -2.763 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.758 -3.100 -2.091 1.00 0.00 H new ATOM 641 N TYR A 47 -12.961 1.171 -1.625 1.00 0.00 N ATOM 642 CA TYR A 47 -13.824 1.991 -0.783 1.00 0.00 C ATOM 643 C TYR A 47 -13.263 3.408 -0.633 1.00 0.00 C ATOM 644 O TYR A 47 -12.570 3.891 -1.523 1.00 0.00 O ATOM 645 CB TYR A 47 -14.008 1.317 0.577 1.00 0.00 C ATOM 646 CG TYR A 47 -12.716 1.086 1.329 1.00 0.00 C ATOM 647 CD1 TYR A 47 -11.958 -0.055 1.104 1.00 0.00 C ATOM 648 CD2 TYR A 47 -12.257 2.006 2.263 1.00 0.00 C ATOM 649 CE1 TYR A 47 -10.780 -0.275 1.789 1.00 0.00 C ATOM 650 CE2 TYR A 47 -11.078 1.793 2.952 1.00 0.00 C ATOM 651 CZ TYR A 47 -10.344 0.652 2.712 1.00 0.00 C ATOM 652 OH TYR A 47 -9.170 0.436 3.395 1.00 0.00 O ATOM 0 H TYR A 47 -12.188 0.724 -1.132 1.00 0.00 H new ATOM 0 HA TYR A 47 -14.800 2.082 -1.260 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -14.668 1.932 1.189 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -14.508 0.359 0.432 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -12.296 -0.783 0.381 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -12.830 2.901 2.454 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -10.203 -1.169 1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -10.734 2.518 3.675 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.421 0.422 2.763 1.00 0.00 H new ATOM 662 N ASN A 48 -13.587 4.069 0.489 1.00 0.00 N ATOM 663 CA ASN A 48 -13.142 5.441 0.775 1.00 0.00 C ATOM 664 C ASN A 48 -14.238 6.440 0.426 1.00 0.00 C ATOM 665 O ASN A 48 -13.973 7.509 -0.126 1.00 0.00 O ATOM 666 CB ASN A 48 -11.850 5.802 0.032 1.00 0.00 C ATOM 667 CG ASN A 48 -10.732 4.818 0.308 1.00 0.00 C ATOM 668 OD1 ASN A 48 -10.335 4.049 -0.565 1.00 0.00 O ATOM 669 ND2 ASN A 48 -10.217 4.839 1.531 1.00 0.00 N ATOM 0 H ASN A 48 -14.166 3.666 1.225 1.00 0.00 H new ATOM 0 HA ASN A 48 -12.931 5.490 1.843 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -12.047 5.833 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -11.532 6.802 0.327 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -9.461 4.200 1.777 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -10.577 5.494 2.225 1.00 0.00 H new ATOM 676 N SER A 49 -15.473 6.082 0.759 1.00 0.00 N ATOM 677 CA SER A 49 -16.622 6.939 0.494 1.00 0.00 C ATOM 678 C SER A 49 -17.601 6.893 1.662 1.00 0.00 C ATOM 679 O SER A 49 -18.095 7.925 2.115 1.00 0.00 O ATOM 680 CB SER A 49 -17.323 6.506 -0.794 1.00 0.00 C ATOM 681 OG SER A 49 -18.063 7.575 -1.357 1.00 0.00 O ATOM 0 H SER A 49 -15.704 5.200 1.215 1.00 0.00 H new ATOM 0 HA SER A 49 -16.267 7.963 0.374 1.00 0.00 H new ATOM 0 HB2 SER A 49 -16.584 6.153 -1.513 1.00 0.00 H new ATOM 0 HB3 SER A 49 -17.989 5.669 -0.585 1.00 0.00 H new ATOM 0 HG SER A 49 -18.500 7.272 -2.180 1.00 0.00 H new ATOM 687 N THR A 50 -17.872 5.685 2.147 1.00 0.00 N ATOM 688 CA THR A 50 -18.787 5.494 3.265 1.00 0.00 C ATOM 689 C THR A 50 -18.032 5.518 4.591 1.00 0.00 C ATOM 690 O THR A 50 -16.874 5.931 4.648 1.00 0.00 O ATOM 691 CB THR A 50 -19.534 4.167 3.114 1.00 0.00 C ATOM 692 OG1 THR A 50 -18.677 3.075 3.395 1.00 0.00 O ATOM 693 CG2 THR A 50 -20.106 3.957 1.729 1.00 0.00 C ATOM 0 H THR A 50 -17.469 4.822 1.781 1.00 0.00 H new ATOM 0 HA THR A 50 -19.507 6.312 3.262 1.00 0.00 H new ATOM 0 HB THR A 50 -20.358 4.216 3.826 1.00 0.00 H new ATOM 0 HG1 THR A 50 -19.173 2.236 3.295 1.00 0.00 H new ATOM 0 HG21 THR A 50 -20.622 2.998 1.690 1.00 0.00 H new ATOM 0 HG22 THR A 50 -20.810 4.758 1.501 1.00 0.00 H new ATOM 0 HG23 THR A 50 -19.298 3.964 0.997 1.00 0.00 H new ATOM 701 N GLY A 51 -18.693 5.073 5.655 1.00 0.00 N ATOM 702 CA GLY A 51 -18.064 5.054 6.963 1.00 0.00 C ATOM 703 C GLY A 51 -17.504 3.690 7.317 1.00 0.00 C ATOM 704 O GLY A 51 -17.454 2.794 6.474 1.00 0.00 O ATOM 0 H GLY A 51 -19.652 4.726 5.635 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.261 5.791 6.987 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.792 5.351 7.717 1.00 0.00 H new ATOM 708 N SER A 52 -17.081 3.531 8.568 1.00 0.00 N ATOM 709 CA SER A 52 -16.522 2.265 9.032 1.00 0.00 C ATOM 710 C SER A 52 -15.249 1.918 8.267 1.00 0.00 C ATOM 711 O SER A 52 -15.074 2.321 7.117 1.00 0.00 O ATOM 712 CB SER A 52 -17.548 1.142 8.874 1.00 0.00 C ATOM 713 OG SER A 52 -17.086 -0.060 9.468 1.00 0.00 O ATOM 0 H SER A 52 -17.115 4.262 9.278 1.00 0.00 H new ATOM 0 HA SER A 52 -16.271 2.373 10.087 1.00 0.00 H new ATOM 0 HB2 SER A 52 -18.491 1.439 9.334 1.00 0.00 H new ATOM 0 HB3 SER A 52 -17.748 0.975 7.816 1.00 0.00 H new ATOM 0 HG SER A 52 -17.761 -0.761 9.355 1.00 0.00 H new ATOM 719 N GLY A 53 -14.362 1.168 8.914 1.00 0.00 N ATOM 720 CA GLY A 53 -13.117 0.778 8.281 1.00 0.00 C ATOM 721 C GLY A 53 -13.276 -0.434 7.385 1.00 0.00 C ATOM 722 O GLY A 53 -14.220 -1.209 7.540 1.00 0.00 O ATOM 0 H GLY A 53 -14.484 0.824 9.866 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -12.735 1.613 7.693 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.374 0.563 9.049 1.00 0.00 H new ATOM 726 N SER A 54 -12.350 -0.599 6.444 1.00 0.00 N ATOM 727 CA SER A 54 -12.389 -1.727 5.518 1.00 0.00 C ATOM 728 C SER A 54 -13.737 -1.805 4.805 1.00 0.00 C ATOM 729 O SER A 54 -14.671 -2.446 5.288 1.00 0.00 O ATOM 730 CB SER A 54 -12.113 -3.035 6.261 1.00 0.00 C ATOM 731 OG SER A 54 -13.228 -3.425 7.045 1.00 0.00 O ATOM 0 H SER A 54 -11.563 0.035 6.303 1.00 0.00 H new ATOM 0 HA SER A 54 -11.613 -1.573 4.768 1.00 0.00 H new ATOM 0 HB2 SER A 54 -11.877 -3.821 5.544 1.00 0.00 H new ATOM 0 HB3 SER A 54 -11.239 -2.915 6.901 1.00 0.00 H new ATOM 0 HG SER A 54 -13.988 -2.839 6.848 1.00 0.00 H new ATOM 737 N GLY A 55 -13.830 -1.147 3.654 1.00 0.00 N ATOM 738 CA GLY A 55 -15.066 -1.152 2.894 1.00 0.00 C ATOM 739 C GLY A 55 -15.266 -2.436 2.112 1.00 0.00 C ATOM 740 O GLY A 55 -16.252 -3.145 2.312 1.00 0.00 O ATOM 0 H GLY A 55 -13.071 -0.610 3.234 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -15.906 -1.010 3.574 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -15.068 -0.307 2.205 1.00 0.00 H new ATOM 744 N SER A 56 -14.330 -2.735 1.217 1.00 0.00 N ATOM 745 CA SER A 56 -14.410 -3.942 0.401 1.00 0.00 C ATOM 746 C SER A 56 -14.479 -5.190 1.275 1.00 0.00 C ATOM 747 O SER A 56 -15.050 -6.206 0.878 1.00 0.00 O ATOM 748 CB SER A 56 -13.207 -4.029 -0.540 1.00 0.00 C ATOM 749 OG SER A 56 -13.556 -4.668 -1.756 1.00 0.00 O ATOM 0 H SER A 56 -13.508 -2.159 1.038 1.00 0.00 H new ATOM 0 HA SER A 56 -15.323 -3.887 -0.192 1.00 0.00 H new ATOM 0 HB2 SER A 56 -12.830 -3.027 -0.747 1.00 0.00 H new ATOM 0 HB3 SER A 56 -12.401 -4.579 -0.055 1.00 0.00 H new ATOM 0 HG SER A 56 -12.823 -4.569 -2.399 1.00 0.00 H new ATOM 755 N GLY A 57 -13.896 -5.107 2.466 1.00 0.00 N ATOM 756 CA GLY A 57 -13.905 -6.237 3.376 1.00 0.00 C ATOM 757 C GLY A 57 -12.818 -7.245 3.062 1.00 0.00 C ATOM 758 O GLY A 57 -11.634 -6.908 3.050 1.00 0.00 O ATOM 0 H GLY A 57 -13.418 -4.278 2.817 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -13.778 -5.878 4.397 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -14.877 -6.729 3.329 1.00 0.00 H new ATOM 762 N SER A 129 -13.219 -8.486 2.806 1.00 0.00 N ATOM 763 CA SER A 129 -12.269 -9.546 2.490 1.00 0.00 C ATOM 764 C SER A 129 -11.442 -9.183 1.262 1.00 0.00 C ATOM 765 O SER A 129 -10.220 -9.332 1.259 1.00 0.00 O ATOM 766 CB SER A 129 -13.004 -10.866 2.253 1.00 0.00 C ATOM 767 OG SER A 129 -13.697 -11.280 3.418 1.00 0.00 O ATOM 0 H SER A 129 -14.195 -8.782 2.811 1.00 0.00 H new ATOM 0 HA SER A 129 -11.596 -9.662 3.339 1.00 0.00 H new ATOM 0 HB2 SER A 129 -13.708 -10.751 1.429 1.00 0.00 H new ATOM 0 HB3 SER A 129 -12.290 -11.635 1.958 1.00 0.00 H new ATOM 0 HG SER A 129 -14.160 -12.125 3.240 1.00 0.00 H new ATOM 773 N THR A 130 -12.115 -8.701 0.222 1.00 0.00 N ATOM 774 CA THR A 130 -11.439 -8.312 -1.011 1.00 0.00 C ATOM 775 C THR A 130 -10.343 -7.289 -0.728 1.00 0.00 C ATOM 776 O THR A 130 -9.347 -7.215 -1.448 1.00 0.00 O ATOM 777 CB THR A 130 -12.443 -7.736 -2.009 1.00 0.00 C ATOM 778 OG1 THR A 130 -13.690 -8.401 -1.906 1.00 0.00 O ATOM 779 CG2 THR A 130 -11.983 -7.841 -3.446 1.00 0.00 C ATOM 0 H THR A 130 -13.127 -8.570 0.208 1.00 0.00 H new ATOM 0 HA THR A 130 -10.981 -9.202 -1.442 1.00 0.00 H new ATOM 0 HB THR A 130 -12.536 -6.681 -1.750 1.00 0.00 H new ATOM 0 HG1 THR A 130 -14.320 -8.017 -2.551 1.00 0.00 H new ATOM 0 HG21 THR A 130 -12.741 -7.414 -4.103 1.00 0.00 H new ATOM 0 HG22 THR A 130 -11.047 -7.296 -3.569 1.00 0.00 H new ATOM 0 HG23 THR A 130 -11.829 -8.889 -3.703 1.00 0.00 H new ATOM 787 N GLU A 131 -10.533 -6.505 0.329 1.00 0.00 N ATOM 788 CA GLU A 131 -9.563 -5.487 0.715 1.00 0.00 C ATOM 789 C GLU A 131 -8.200 -6.113 0.988 1.00 0.00 C ATOM 790 O GLU A 131 -7.221 -5.815 0.307 1.00 0.00 O ATOM 791 CB GLU A 131 -10.048 -4.739 1.958 1.00 0.00 C ATOM 792 CG GLU A 131 -9.210 -3.520 2.305 1.00 0.00 C ATOM 793 CD GLU A 131 -8.189 -3.802 3.390 1.00 0.00 C ATOM 794 OE1 GLU A 131 -7.491 -4.834 3.296 1.00 0.00 O ATOM 795 OE2 GLU A 131 -8.087 -2.991 4.334 1.00 0.00 O ATOM 0 H GLU A 131 -11.352 -6.556 0.935 1.00 0.00 H new ATOM 0 HA GLU A 131 -9.463 -4.783 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 131 -11.081 -4.426 1.803 1.00 0.00 H new ATOM 0 HB3 GLU A 131 -10.046 -5.423 2.806 1.00 0.00 H new ATOM 0 HG2 GLU A 131 -8.696 -3.171 1.410 1.00 0.00 H new ATOM 0 HG3 GLU A 131 -9.867 -2.713 2.630 1.00 0.00 H new ATOM 802 N GLU A 132 -8.147 -6.983 1.990 1.00 0.00 N ATOM 803 CA GLU A 132 -6.904 -7.651 2.355 1.00 0.00 C ATOM 804 C GLU A 132 -6.431 -8.570 1.234 1.00 0.00 C ATOM 805 O GLU A 132 -5.240 -8.849 1.110 1.00 0.00 O ATOM 806 CB GLU A 132 -7.085 -8.455 3.646 1.00 0.00 C ATOM 807 CG GLU A 132 -7.912 -7.742 4.705 1.00 0.00 C ATOM 808 CD GLU A 132 -7.104 -7.388 5.939 1.00 0.00 C ATOM 809 OE1 GLU A 132 -5.880 -7.174 5.807 1.00 0.00 O ATOM 810 OE2 GLU A 132 -7.695 -7.323 7.038 1.00 0.00 O ATOM 0 H GLU A 132 -8.950 -7.242 2.564 1.00 0.00 H new ATOM 0 HA GLU A 132 -6.147 -6.884 2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 132 -7.561 -9.406 3.407 1.00 0.00 H new ATOM 0 HB3 GLU A 132 -6.103 -8.685 4.060 1.00 0.00 H new ATOM 0 HG2 GLU A 132 -8.334 -6.832 4.279 1.00 0.00 H new ATOM 0 HG3 GLU A 132 -8.750 -8.377 4.994 1.00 0.00 H new ATOM 817 N LEU A 133 -7.373 -9.039 0.424 1.00 0.00 N ATOM 818 CA LEU A 133 -7.058 -9.930 -0.686 1.00 0.00 C ATOM 819 C LEU A 133 -6.096 -9.270 -1.671 1.00 0.00 C ATOM 820 O LEU A 133 -4.930 -9.654 -1.767 1.00 0.00 O ATOM 821 CB LEU A 133 -8.345 -10.339 -1.405 1.00 0.00 C ATOM 822 CG LEU A 133 -8.883 -11.726 -1.047 1.00 0.00 C ATOM 823 CD1 LEU A 133 -9.004 -11.885 0.463 1.00 0.00 C ATOM 824 CD2 LEU A 133 -10.229 -11.961 -1.718 1.00 0.00 C ATOM 0 H LEU A 133 -8.364 -8.816 0.516 1.00 0.00 H new ATOM 0 HA LEU A 133 -6.570 -10.817 -0.282 1.00 0.00 H new ATOM 0 HB2 LEU A 133 -9.116 -9.601 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 133 -8.168 -10.303 -2.480 1.00 0.00 H new ATOM 0 HG LEU A 133 -8.178 -12.473 -1.412 1.00 0.00 H new ATOM 0 HD11 LEU A 133 -9.388 -12.878 0.695 1.00 0.00 H new ATOM 0 HD12 LEU A 133 -8.023 -11.759 0.922 1.00 0.00 H new ATOM 0 HD13 LEU A 133 -9.687 -11.131 0.855 1.00 0.00 H new ATOM 0 HD21 LEU A 133 -10.599 -12.952 -1.454 1.00 0.00 H new ATOM 0 HD22 LEU A 133 -10.940 -11.206 -1.381 1.00 0.00 H new ATOM 0 HD23 LEU A 133 -10.113 -11.893 -2.800 1.00 0.00 H new ATOM 836 N ARG A 134 -6.595 -8.279 -2.405 1.00 0.00 N ATOM 837 CA ARG A 134 -5.787 -7.566 -3.391 1.00 0.00 C ATOM 838 C ARG A 134 -4.457 -7.106 -2.798 1.00 0.00 C ATOM 839 O ARG A 134 -3.430 -7.105 -3.476 1.00 0.00 O ATOM 840 CB ARG A 134 -6.556 -6.358 -3.931 1.00 0.00 C ATOM 841 CG ARG A 134 -6.756 -5.252 -2.904 1.00 0.00 C ATOM 842 CD ARG A 134 -7.385 -4.013 -3.525 1.00 0.00 C ATOM 843 NE ARG A 134 -6.553 -3.447 -4.586 1.00 0.00 N ATOM 844 CZ ARG A 134 -6.604 -3.834 -5.859 1.00 0.00 C ATOM 845 NH1 ARG A 134 -7.441 -4.793 -6.237 1.00 0.00 N ATOM 846 NH2 ARG A 134 -5.813 -3.263 -6.756 1.00 0.00 N ATOM 0 H ARG A 134 -7.558 -7.950 -2.335 1.00 0.00 H new ATOM 0 HA ARG A 134 -5.575 -8.257 -4.207 1.00 0.00 H new ATOM 0 HB2 ARG A 134 -6.021 -5.952 -4.790 1.00 0.00 H new ATOM 0 HB3 ARG A 134 -7.530 -6.689 -4.290 1.00 0.00 H new ATOM 0 HG2 ARG A 134 -7.391 -5.616 -2.096 1.00 0.00 H new ATOM 0 HG3 ARG A 134 -5.795 -4.989 -2.461 1.00 0.00 H new ATOM 0 HD2 ARG A 134 -8.364 -4.268 -3.930 1.00 0.00 H new ATOM 0 HD3 ARG A 134 -7.546 -3.262 -2.751 1.00 0.00 H new ATOM 0 HE ARG A 134 -5.893 -2.711 -4.336 1.00 0.00 H new ATOM 0 HH11 ARG A 134 -8.050 -5.238 -5.551 1.00 0.00 H new ATOM 0 HH12 ARG A 134 -7.475 -5.085 -7.214 1.00 0.00 H new ATOM 0 HH21 ARG A 134 -5.166 -2.528 -6.471 1.00 0.00 H new ATOM 0 HH22 ARG A 134 -5.851 -3.559 -7.731 1.00 0.00 H new ATOM 860 N VAL A 135 -4.489 -6.706 -1.534 1.00 0.00 N ATOM 861 CA VAL A 135 -3.292 -6.232 -0.851 1.00 0.00 C ATOM 862 C VAL A 135 -2.392 -7.393 -0.431 1.00 0.00 C ATOM 863 O VAL A 135 -1.167 -7.270 -0.432 1.00 0.00 O ATOM 864 CB VAL A 135 -3.664 -5.389 0.386 1.00 0.00 C ATOM 865 CG1 VAL A 135 -2.422 -4.891 1.108 1.00 0.00 C ATOM 866 CG2 VAL A 135 -4.545 -4.219 -0.021 1.00 0.00 C ATOM 0 H VAL A 135 -5.332 -6.700 -0.960 1.00 0.00 H new ATOM 0 HA VAL A 135 -2.743 -5.608 -1.556 1.00 0.00 H new ATOM 0 HB VAL A 135 -4.218 -6.027 1.075 1.00 0.00 H new ATOM 0 HG11 VAL A 135 -2.717 -4.300 1.975 1.00 0.00 H new ATOM 0 HG12 VAL A 135 -1.825 -5.743 1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 135 -1.831 -4.273 0.432 1.00 0.00 H new ATOM 0 HG21 VAL A 135 -4.801 -3.632 0.861 1.00 0.00 H new ATOM 0 HG22 VAL A 135 -4.009 -3.591 -0.733 1.00 0.00 H new ATOM 0 HG23 VAL A 135 -5.458 -4.594 -0.484 1.00 0.00 H new ATOM 876 N ARG A 136 -3.001 -8.518 -0.070 1.00 0.00 N ATOM 877 CA ARG A 136 -2.244 -9.692 0.354 1.00 0.00 C ATOM 878 C ARG A 136 -1.265 -10.140 -0.727 1.00 0.00 C ATOM 879 O ARG A 136 -0.258 -10.784 -0.432 1.00 0.00 O ATOM 880 CB ARG A 136 -3.189 -10.840 0.715 1.00 0.00 C ATOM 881 CG ARG A 136 -3.320 -11.066 2.212 1.00 0.00 C ATOM 882 CD ARG A 136 -4.738 -11.456 2.600 1.00 0.00 C ATOM 883 NE ARG A 136 -4.973 -11.303 4.034 1.00 0.00 N ATOM 884 CZ ARG A 136 -4.551 -12.171 4.951 1.00 0.00 C ATOM 885 NH1 ARG A 136 -3.870 -13.251 4.589 1.00 0.00 N ATOM 886 NH2 ARG A 136 -4.809 -11.956 6.234 1.00 0.00 N ATOM 0 H ARG A 136 -4.013 -8.642 -0.062 1.00 0.00 H new ATOM 0 HA ARG A 136 -1.671 -9.414 1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 136 -4.175 -10.634 0.299 1.00 0.00 H new ATOM 0 HB3 ARG A 136 -2.831 -11.757 0.247 1.00 0.00 H new ATOM 0 HG2 ARG A 136 -2.629 -11.849 2.524 1.00 0.00 H new ATOM 0 HG3 ARG A 136 -3.034 -10.158 2.743 1.00 0.00 H new ATOM 0 HD2 ARG A 136 -5.448 -10.840 2.048 1.00 0.00 H new ATOM 0 HD3 ARG A 136 -4.922 -12.491 2.310 1.00 0.00 H new ATOM 0 HE ARG A 136 -5.491 -10.483 4.351 1.00 0.00 H new ATOM 0 HH11 ARG A 136 -3.667 -13.420 3.604 1.00 0.00 H new ATOM 0 HH12 ARG A 136 -3.549 -13.912 5.296 1.00 0.00 H new ATOM 0 HH21 ARG A 136 -5.330 -11.126 6.517 1.00 0.00 H new ATOM 0 HH22 ARG A 136 -4.486 -12.620 6.937 1.00 0.00 H new ATOM 900 N LEU A 137 -1.559 -9.798 -1.977 1.00 0.00 N ATOM 901 CA LEU A 137 -0.689 -10.172 -3.085 1.00 0.00 C ATOM 902 C LEU A 137 0.644 -9.440 -2.990 1.00 0.00 C ATOM 903 O LEU A 137 1.662 -10.039 -2.646 1.00 0.00 O ATOM 904 CB LEU A 137 -1.360 -9.867 -4.429 1.00 0.00 C ATOM 905 CG LEU A 137 -0.574 -10.310 -5.670 1.00 0.00 C ATOM 906 CD1 LEU A 137 0.597 -9.372 -5.937 1.00 0.00 C ATOM 907 CD2 LEU A 137 -0.086 -11.743 -5.512 1.00 0.00 C ATOM 0 H LEU A 137 -2.387 -9.266 -2.247 1.00 0.00 H new ATOM 0 HA LEU A 137 -0.506 -11.245 -3.023 1.00 0.00 H new ATOM 0 HB2 LEU A 137 -2.337 -10.350 -4.446 1.00 0.00 H new ATOM 0 HB3 LEU A 137 -1.534 -8.793 -4.494 1.00 0.00 H new ATOM 0 HG LEU A 137 -1.245 -10.267 -6.528 1.00 0.00 H new ATOM 0 HD11 LEU A 137 1.138 -9.708 -6.822 1.00 0.00 H new ATOM 0 HD12 LEU A 137 0.223 -8.361 -6.102 1.00 0.00 H new ATOM 0 HD13 LEU A 137 1.269 -9.375 -5.078 1.00 0.00 H new ATOM 0 HD21 LEU A 137 0.469 -12.039 -6.402 1.00 0.00 H new ATOM 0 HD22 LEU A 137 0.564 -11.812 -4.640 1.00 0.00 H new ATOM 0 HD23 LEU A 137 -0.941 -12.406 -5.381 1.00 0.00 H new ATOM 919 N ALA A 138 0.622 -8.141 -3.299 1.00 0.00 N ATOM 920 CA ALA A 138 1.821 -7.300 -3.265 1.00 0.00 C ATOM 921 C ALA A 138 2.745 -7.650 -2.101 1.00 0.00 C ATOM 922 O ALA A 138 3.964 -7.508 -2.202 1.00 0.00 O ATOM 923 CB ALA A 138 1.426 -5.833 -3.202 1.00 0.00 C ATOM 0 H ALA A 138 -0.224 -7.644 -3.579 1.00 0.00 H new ATOM 0 HA ALA A 138 2.377 -7.490 -4.183 1.00 0.00 H new ATOM 0 HB1 ALA A 138 2.324 -5.215 -3.177 1.00 0.00 H new ATOM 0 HB2 ALA A 138 0.834 -5.578 -4.081 1.00 0.00 H new ATOM 0 HB3 ALA A 138 0.837 -5.653 -2.303 1.00 0.00 H new ATOM 929 N SER A 139 2.163 -8.109 -1.000 1.00 0.00 N ATOM 930 CA SER A 139 2.939 -8.480 0.179 1.00 0.00 C ATOM 931 C SER A 139 4.088 -9.426 -0.179 1.00 0.00 C ATOM 932 O SER A 139 5.065 -9.531 0.560 1.00 0.00 O ATOM 933 CB SER A 139 2.027 -9.133 1.219 1.00 0.00 C ATOM 934 OG SER A 139 2.775 -9.890 2.155 1.00 0.00 O ATOM 0 H SER A 139 1.156 -8.234 -0.898 1.00 0.00 H new ATOM 0 HA SER A 139 3.373 -7.571 0.595 1.00 0.00 H new ATOM 0 HB2 SER A 139 1.458 -8.364 1.741 1.00 0.00 H new ATOM 0 HB3 SER A 139 1.305 -9.779 0.719 1.00 0.00 H new ATOM 0 HG SER A 139 2.167 -10.295 2.809 1.00 0.00 H new ATOM 940 N HIS A 140 3.961 -10.116 -1.312 1.00 0.00 N ATOM 941 CA HIS A 140 4.984 -11.058 -1.763 1.00 0.00 C ATOM 942 C HIS A 140 6.381 -10.439 -1.735 1.00 0.00 C ATOM 943 O HIS A 140 7.373 -11.139 -1.533 1.00 0.00 O ATOM 944 CB HIS A 140 4.667 -11.549 -3.178 1.00 0.00 C ATOM 945 CG HIS A 140 4.712 -10.468 -4.218 1.00 0.00 C ATOM 946 ND1 HIS A 140 5.763 -10.278 -5.087 1.00 0.00 N ATOM 947 CD2 HIS A 140 3.800 -9.512 -4.525 1.00 0.00 C ATOM 948 CE1 HIS A 140 5.460 -9.235 -5.874 1.00 0.00 C ATOM 949 NE2 HIS A 140 4.281 -8.736 -5.573 1.00 0.00 N ATOM 0 H HIS A 140 3.157 -10.040 -1.936 1.00 0.00 H new ATOM 0 HA HIS A 140 4.976 -11.901 -1.072 1.00 0.00 H new ATOM 0 HB2 HIS A 140 5.377 -12.331 -3.449 1.00 0.00 H new ATOM 0 HB3 HIS A 140 3.676 -12.003 -3.182 1.00 0.00 H new ATOM 0 HD2 HIS A 140 2.849 -9.375 -4.032 1.00 0.00 H new ATOM 0 HE1 HIS A 140 6.102 -8.854 -6.655 1.00 0.00 H new ATOM 0 HE2 HIS A 140 3.816 -7.944 -6.017 1.00 0.00 H new ATOM 957 N LEU A 141 6.457 -9.129 -1.948 1.00 0.00 N ATOM 958 CA LEU A 141 7.741 -8.434 -1.955 1.00 0.00 C ATOM 959 C LEU A 141 7.680 -7.138 -1.154 1.00 0.00 C ATOM 960 O LEU A 141 8.529 -6.884 -0.300 1.00 0.00 O ATOM 961 CB LEU A 141 8.164 -8.128 -3.392 1.00 0.00 C ATOM 962 CG LEU A 141 9.421 -7.263 -3.523 1.00 0.00 C ATOM 963 CD1 LEU A 141 10.586 -8.091 -4.038 1.00 0.00 C ATOM 964 CD2 LEU A 141 9.160 -6.071 -4.431 1.00 0.00 C ATOM 0 H LEU A 141 5.649 -8.529 -2.117 1.00 0.00 H new ATOM 0 HA LEU A 141 8.475 -9.090 -1.487 1.00 0.00 H new ATOM 0 HB2 LEU A 141 8.333 -9.070 -3.914 1.00 0.00 H new ATOM 0 HB3 LEU A 141 7.340 -7.625 -3.899 1.00 0.00 H new ATOM 0 HG LEU A 141 9.683 -6.884 -2.535 1.00 0.00 H new ATOM 0 HD11 LEU A 141 11.471 -7.460 -4.125 1.00 0.00 H new ATOM 0 HD12 LEU A 141 10.788 -8.906 -3.343 1.00 0.00 H new ATOM 0 HD13 LEU A 141 10.336 -8.502 -5.016 1.00 0.00 H new ATOM 0 HD21 LEU A 141 10.065 -5.469 -4.511 1.00 0.00 H new ATOM 0 HD22 LEU A 141 8.871 -6.424 -5.421 1.00 0.00 H new ATOM 0 HD23 LEU A 141 8.357 -5.464 -4.013 1.00 0.00 H new ATOM 976 N ARG A 142 6.682 -6.314 -1.451 1.00 0.00 N ATOM 977 CA ARG A 142 6.512 -5.028 -0.779 1.00 0.00 C ATOM 978 C ARG A 142 6.745 -5.135 0.728 1.00 0.00 C ATOM 979 O ARG A 142 7.594 -4.436 1.281 1.00 0.00 O ATOM 980 CB ARG A 142 5.116 -4.471 -1.064 1.00 0.00 C ATOM 981 CG ARG A 142 4.765 -4.450 -2.546 1.00 0.00 C ATOM 982 CD ARG A 142 5.910 -3.905 -3.388 1.00 0.00 C ATOM 983 NE ARG A 142 5.433 -3.254 -4.605 1.00 0.00 N ATOM 984 CZ ARG A 142 6.216 -2.946 -5.635 1.00 0.00 C ATOM 985 NH1 ARG A 142 7.510 -3.239 -5.605 1.00 0.00 N ATOM 986 NH2 ARG A 142 5.705 -2.347 -6.700 1.00 0.00 N ATOM 0 H ARG A 142 5.973 -6.514 -2.157 1.00 0.00 H new ATOM 0 HA ARG A 142 7.263 -4.344 -1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 142 4.378 -5.071 -0.532 1.00 0.00 H new ATOM 0 HB3 ARG A 142 5.049 -3.458 -0.668 1.00 0.00 H new ATOM 0 HG2 ARG A 142 4.519 -5.459 -2.876 1.00 0.00 H new ATOM 0 HG3 ARG A 142 3.876 -3.838 -2.701 1.00 0.00 H new ATOM 0 HD2 ARG A 142 6.487 -3.193 -2.798 1.00 0.00 H new ATOM 0 HD3 ARG A 142 6.585 -4.719 -3.653 1.00 0.00 H new ATOM 0 HE ARG A 142 4.442 -3.022 -4.669 1.00 0.00 H new ATOM 0 HH11 ARG A 142 7.909 -3.703 -4.789 1.00 0.00 H new ATOM 0 HH12 ARG A 142 8.105 -3.000 -6.398 1.00 0.00 H new ATOM 0 HH21 ARG A 142 4.711 -2.122 -6.730 1.00 0.00 H new ATOM 0 HH22 ARG A 142 6.306 -2.111 -7.490 1.00 0.00 H new ATOM 1000 N LYS A 143 5.992 -6.008 1.386 1.00 0.00 N ATOM 1001 CA LYS A 143 6.129 -6.193 2.827 1.00 0.00 C ATOM 1002 C LYS A 143 6.966 -7.428 3.161 1.00 0.00 C ATOM 1003 O LYS A 143 7.255 -7.688 4.328 1.00 0.00 O ATOM 1004 CB LYS A 143 4.750 -6.307 3.479 1.00 0.00 C ATOM 1005 CG LYS A 143 3.935 -5.028 3.393 1.00 0.00 C ATOM 1006 CD LYS A 143 4.540 -3.923 4.245 1.00 0.00 C ATOM 1007 CE LYS A 143 3.565 -2.773 4.443 1.00 0.00 C ATOM 1008 NZ LYS A 143 3.503 -2.336 5.865 1.00 0.00 N ATOM 0 H LYS A 143 5.283 -6.597 0.948 1.00 0.00 H new ATOM 0 HA LYS A 143 6.647 -5.320 3.223 1.00 0.00 H new ATOM 0 HB2 LYS A 143 4.196 -7.115 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 143 4.873 -6.581 4.527 1.00 0.00 H new ATOM 0 HG2 LYS A 143 3.880 -4.700 2.355 1.00 0.00 H new ATOM 0 HG3 LYS A 143 2.914 -5.223 3.720 1.00 0.00 H new ATOM 0 HD2 LYS A 143 4.829 -4.327 5.215 1.00 0.00 H new ATOM 0 HD3 LYS A 143 5.449 -3.553 3.771 1.00 0.00 H new ATOM 0 HE2 LYS A 143 3.864 -1.932 3.817 1.00 0.00 H new ATOM 0 HE3 LYS A 143 2.572 -3.078 4.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 143 2.827 -1.551 5.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 143 3.193 -3.131 6.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 143 4.445 -2.020 6.173 1.00 0.00 H new ATOM 1022 N LEU A 144 7.347 -8.192 2.139 1.00 0.00 N ATOM 1023 CA LEU A 144 8.142 -9.397 2.351 1.00 0.00 C ATOM 1024 C LEU A 144 9.602 -9.200 1.941 1.00 0.00 C ATOM 1025 O LEU A 144 10.397 -10.138 2.002 1.00 0.00 O ATOM 1026 CB LEU A 144 7.544 -10.570 1.572 1.00 0.00 C ATOM 1027 CG LEU A 144 6.412 -11.310 2.285 1.00 0.00 C ATOM 1028 CD1 LEU A 144 5.646 -12.187 1.305 1.00 0.00 C ATOM 1029 CD2 LEU A 144 6.963 -12.144 3.432 1.00 0.00 C ATOM 0 H LEU A 144 7.120 -7.999 1.164 1.00 0.00 H new ATOM 0 HA LEU A 144 8.120 -9.615 3.419 1.00 0.00 H new ATOM 0 HB2 LEU A 144 7.171 -10.200 0.617 1.00 0.00 H new ATOM 0 HB3 LEU A 144 8.339 -11.282 1.349 1.00 0.00 H new ATOM 0 HG LEU A 144 5.722 -10.573 2.695 1.00 0.00 H new ATOM 0 HD11 LEU A 144 4.844 -12.706 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 144 5.221 -11.566 0.517 1.00 0.00 H new ATOM 0 HD13 LEU A 144 6.324 -12.918 0.865 1.00 0.00 H new ATOM 0 HD21 LEU A 144 6.145 -12.664 3.929 1.00 0.00 H new ATOM 0 HD22 LEU A 144 7.674 -12.873 3.043 1.00 0.00 H new ATOM 0 HD23 LEU A 144 7.466 -11.493 4.147 1.00 0.00 H new ATOM 1041 N ARG A 145 9.956 -7.987 1.522 1.00 0.00 N ATOM 1042 CA ARG A 145 11.326 -7.704 1.105 1.00 0.00 C ATOM 1043 C ARG A 145 11.757 -6.297 1.519 1.00 0.00 C ATOM 1044 O ARG A 145 12.331 -6.109 2.592 1.00 0.00 O ATOM 1045 CB ARG A 145 11.464 -7.879 -0.408 1.00 0.00 C ATOM 1046 CG ARG A 145 11.524 -9.334 -0.840 1.00 0.00 C ATOM 1047 CD ARG A 145 12.848 -9.669 -1.507 1.00 0.00 C ATOM 1048 NE ARG A 145 13.077 -11.110 -1.576 1.00 0.00 N ATOM 1049 CZ ARG A 145 12.543 -11.904 -2.503 1.00 0.00 C ATOM 1050 NH1 ARG A 145 11.751 -11.401 -3.442 1.00 0.00 N ATOM 1051 NH2 ARG A 145 12.802 -13.204 -2.491 1.00 0.00 N ATOM 0 H ARG A 145 9.320 -7.192 1.463 1.00 0.00 H new ATOM 0 HA ARG A 145 11.983 -8.414 1.607 1.00 0.00 H new ATOM 0 HB2 ARG A 145 10.621 -7.395 -0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 145 12.367 -7.369 -0.745 1.00 0.00 H new ATOM 0 HG2 ARG A 145 11.381 -9.977 0.028 1.00 0.00 H new ATOM 0 HG3 ARG A 145 10.706 -9.543 -1.530 1.00 0.00 H new ATOM 0 HD2 ARG A 145 12.863 -9.251 -2.514 1.00 0.00 H new ATOM 0 HD3 ARG A 145 13.661 -9.199 -0.955 1.00 0.00 H new ATOM 0 HE ARG A 145 13.682 -11.534 -0.872 1.00 0.00 H new ATOM 0 HH11 ARG A 145 11.548 -10.401 -3.457 1.00 0.00 H new ATOM 0 HH12 ARG A 145 11.345 -12.014 -4.149 1.00 0.00 H new ATOM 0 HH21 ARG A 145 13.410 -13.596 -1.772 1.00 0.00 H new ATOM 0 HH22 ARG A 145 12.393 -13.812 -3.201 1.00 0.00 H new ATOM 1065 N LYS A 146 11.482 -5.312 0.662 1.00 0.00 N ATOM 1066 CA LYS A 146 11.844 -3.920 0.936 1.00 0.00 C ATOM 1067 C LYS A 146 13.346 -3.678 0.759 1.00 0.00 C ATOM 1068 O LYS A 146 13.820 -2.555 0.930 1.00 0.00 O ATOM 1069 CB LYS A 146 11.418 -3.521 2.351 1.00 0.00 C ATOM 1070 CG LYS A 146 11.444 -2.021 2.596 1.00 0.00 C ATOM 1071 CD LYS A 146 10.511 -1.283 1.651 1.00 0.00 C ATOM 1072 CE LYS A 146 10.451 0.200 1.978 1.00 0.00 C ATOM 1073 NZ LYS A 146 11.568 0.955 1.345 1.00 0.00 N ATOM 0 H LYS A 146 11.008 -5.453 -0.230 1.00 0.00 H new ATOM 0 HA LYS A 146 11.314 -3.301 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 146 10.410 -3.893 2.536 1.00 0.00 H new ATOM 0 HB3 LYS A 146 12.075 -4.009 3.070 1.00 0.00 H new ATOM 0 HG2 LYS A 146 11.156 -1.815 3.627 1.00 0.00 H new ATOM 0 HG3 LYS A 146 12.461 -1.649 2.469 1.00 0.00 H new ATOM 0 HD2 LYS A 146 10.850 -1.417 0.624 1.00 0.00 H new ATOM 0 HD3 LYS A 146 9.511 -1.712 1.715 1.00 0.00 H new ATOM 0 HE2 LYS A 146 9.499 0.608 1.639 1.00 0.00 H new ATOM 0 HE3 LYS A 146 10.488 0.335 3.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 146 11.359 1.973 1.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 146 12.450 0.768 1.863 1.00 0.00 H new ATOM 0 HZ3 LYS A 146 11.676 0.651 0.356 1.00 0.00 H new ATOM 1087 N ARG A 147 14.091 -4.729 0.412 1.00 0.00 N ATOM 1088 CA ARG A 147 15.535 -4.619 0.211 1.00 0.00 C ATOM 1089 C ARG A 147 16.197 -3.813 1.328 1.00 0.00 C ATOM 1090 O ARG A 147 17.211 -3.151 1.109 1.00 0.00 O ATOM 1091 CB ARG A 147 15.834 -3.972 -1.143 1.00 0.00 C ATOM 1092 CG ARG A 147 17.118 -4.472 -1.786 1.00 0.00 C ATOM 1093 CD ARG A 147 18.250 -3.468 -1.632 1.00 0.00 C ATOM 1094 NE ARG A 147 19.364 -3.754 -2.533 1.00 0.00 N ATOM 1095 CZ ARG A 147 20.288 -4.683 -2.298 1.00 0.00 C ATOM 1096 NH1 ARG A 147 20.236 -5.417 -1.193 1.00 0.00 N ATOM 1097 NH2 ARG A 147 21.268 -4.878 -3.170 1.00 0.00 N ATOM 0 H ARG A 147 13.717 -5.666 0.264 1.00 0.00 H new ATOM 0 HA ARG A 147 15.949 -5.627 0.230 1.00 0.00 H new ATOM 0 HB2 ARG A 147 15.001 -4.163 -1.819 1.00 0.00 H new ATOM 0 HB3 ARG A 147 15.899 -2.892 -1.014 1.00 0.00 H new ATOM 0 HG2 ARG A 147 17.408 -5.420 -1.332 1.00 0.00 H new ATOM 0 HG3 ARG A 147 16.944 -4.665 -2.845 1.00 0.00 H new ATOM 0 HD2 ARG A 147 17.873 -2.464 -1.829 1.00 0.00 H new ATOM 0 HD3 ARG A 147 18.606 -3.478 -0.602 1.00 0.00 H new ATOM 0 HE ARG A 147 19.438 -3.210 -3.393 1.00 0.00 H new ATOM 0 HH11 ARG A 147 19.485 -5.271 -0.518 1.00 0.00 H new ATOM 0 HH12 ARG A 147 20.947 -6.127 -1.019 1.00 0.00 H new ATOM 0 HH21 ARG A 147 21.313 -4.316 -4.020 1.00 0.00 H new ATOM 0 HH22 ARG A 147 21.976 -5.590 -2.990 1.00 0.00 H new ATOM 1111 N LEU A 148 15.618 -3.874 2.524 1.00 0.00 N ATOM 1112 CA LEU A 148 16.159 -3.147 3.668 1.00 0.00 C ATOM 1113 C LEU A 148 16.093 -3.995 4.937 1.00 0.00 C ATOM 1114 O LEU A 148 17.077 -4.626 5.322 1.00 0.00 O ATOM 1115 CB LEU A 148 15.402 -1.830 3.866 1.00 0.00 C ATOM 1116 CG LEU A 148 15.782 -1.044 5.123 1.00 0.00 C ATOM 1117 CD1 LEU A 148 17.227 -0.575 5.042 1.00 0.00 C ATOM 1118 CD2 LEU A 148 14.846 0.139 5.314 1.00 0.00 C ATOM 0 H LEU A 148 14.778 -4.417 2.726 1.00 0.00 H new ATOM 0 HA LEU A 148 17.206 -2.924 3.465 1.00 0.00 H new ATOM 0 HB2 LEU A 148 15.572 -1.197 2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 148 14.334 -2.045 3.900 1.00 0.00 H new ATOM 0 HG LEU A 148 15.683 -1.703 5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 148 17.480 -0.018 5.944 1.00 0.00 H new ATOM 0 HD12 LEU A 148 17.885 -1.439 4.953 1.00 0.00 H new ATOM 0 HD13 LEU A 148 17.352 0.068 4.171 1.00 0.00 H new ATOM 0 HD21 LEU A 148 15.131 0.687 6.212 1.00 0.00 H new ATOM 0 HD22 LEU A 148 14.913 0.800 4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 148 13.822 -0.220 5.417 1.00 0.00 H new ATOM 1130 N LEU A 149 14.932 -4.005 5.587 1.00 0.00 N ATOM 1131 CA LEU A 149 14.750 -4.775 6.812 1.00 0.00 C ATOM 1132 C LEU A 149 14.784 -6.274 6.529 1.00 0.00 C ATOM 1133 O LEU A 149 14.654 -7.061 7.490 1.00 0.00 O ATOM 1134 CB LEU A 149 13.428 -4.391 7.488 1.00 0.00 C ATOM 1135 CG LEU A 149 12.162 -4.994 6.866 1.00 0.00 C ATOM 1136 CD1 LEU A 149 10.927 -4.290 7.401 1.00 0.00 C ATOM 1137 CD2 LEU A 149 12.204 -4.904 5.348 1.00 0.00 C ATOM 1138 OXT LEU A 149 14.940 -6.648 5.347 1.00 0.00 O ATOM 0 H LEU A 149 14.105 -3.489 5.286 1.00 0.00 H new ATOM 0 HA LEU A 149 15.574 -4.540 7.486 1.00 0.00 H new ATOM 0 HB2 LEU A 149 13.475 -4.693 8.534 1.00 0.00 H new ATOM 0 HB3 LEU A 149 13.336 -3.305 7.473 1.00 0.00 H new ATOM 0 HG LEU A 149 12.116 -6.047 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 149 10.035 -4.727 6.952 1.00 0.00 H new ATOM 0 HD12 LEU A 149 10.882 -4.407 8.484 1.00 0.00 H new ATOM 0 HD13 LEU A 149 10.976 -3.230 7.152 1.00 0.00 H new ATOM 0 HD21 LEU A 149 11.295 -5.339 4.932 1.00 0.00 H new ATOM 0 HD22 LEU A 149 12.277 -3.859 5.047 1.00 0.00 H new ATOM 0 HD23 LEU A 149 13.070 -5.450 4.975 1.00 0.00 H new TER 1150 LEU A 149 HETATM 1151 CA CA A 81 -2.048 0.851 4.032 1.00 0.33 CA