USER MOD reduce.3.24.130724 H: found=0, std=0, add=390, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 390 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 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 60:sc= 0.72 USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -118:sc= -1.13 (180deg=-3.12!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0227) USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.401 USER MOD Single : A 48 ASN : amide:sc= -12! C(o=-12!,f=-13!) USER MOD Single : A 49 ASN : amide:sc= -1.01 K(o=-1,f=-1.8!) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 LYS NZ :NH3+ 162:sc=-0.00838 (180deg=-0.187) USER MOD Single : A 56 THR OG1 : rot 58:sc= 0.569 USER MOD Single : A 57 SER OG : rot 64:sc= -0.444 USER MOD Single : A 58 THR OG1 : rot 119:sc= 0.538 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.343 K(o=-0.34,f=-1) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -64:sc= 0.821 USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 21 0.642 20.331 -6.162 1.00 0.00 N ATOM 2 CA LYS A 21 0.240 18.930 -5.808 1.00 0.00 C ATOM 3 C LYS A 21 -0.226 18.291 -7.104 1.00 0.00 C ATOM 4 O LYS A 21 -0.136 17.105 -7.322 1.00 0.00 O ATOM 5 CB LYS A 21 -0.914 18.933 -4.768 1.00 0.00 C ATOM 6 CG LYS A 21 -0.381 18.617 -3.347 1.00 0.00 C ATOM 7 CD LYS A 21 -0.467 17.110 -3.072 1.00 0.00 C ATOM 8 CE LYS A 21 0.312 16.777 -1.798 1.00 0.00 C ATOM 9 NZ LYS A 21 0.323 15.301 -1.593 1.00 0.00 N ATOM 0 HA LYS A 21 1.070 18.383 -5.362 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -1.406 19.906 -4.768 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -1.665 18.196 -5.051 1.00 0.00 H new ATOM 0 HG2 LYS A 21 0.652 18.952 -3.255 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -0.961 19.163 -2.603 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -1.509 16.809 -2.963 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -0.060 16.552 -3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 21 1.333 17.152 -1.875 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -0.145 17.270 -0.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 0.853 15.075 -0.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -0.654 14.956 -1.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 0.778 14.841 -2.407 1.00 0.00 H new ATOM 23 N LEU A 22 -0.713 19.124 -7.947 1.00 0.00 N ATOM 24 CA LEU A 22 -1.225 18.724 -9.274 1.00 0.00 C ATOM 25 C LEU A 22 -0.307 17.703 -9.965 1.00 0.00 C ATOM 26 O LEU A 22 -0.704 16.595 -10.234 1.00 0.00 O ATOM 27 CB LEU A 22 -1.243 20.022 -10.074 1.00 0.00 C ATOM 28 CG LEU A 22 -1.314 19.774 -11.584 1.00 0.00 C ATOM 29 CD1 LEU A 22 -2.475 18.822 -11.914 1.00 0.00 C ATOM 30 CD2 LEU A 22 -1.532 21.113 -12.296 1.00 0.00 C ATOM 0 H LEU A 22 -0.784 20.125 -7.765 1.00 0.00 H new ATOM 0 HA LEU A 22 -2.201 18.245 -9.194 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -2.098 20.624 -9.766 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -0.348 20.600 -9.845 1.00 0.00 H new ATOM 0 HG LEU A 22 -0.382 19.318 -11.919 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.514 18.655 -12.990 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -2.322 17.871 -11.404 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -3.414 19.265 -11.582 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.584 20.949 -13.372 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.464 21.561 -11.952 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.703 21.784 -12.071 1.00 0.00 H new ATOM 42 N LEU A 23 0.906 18.071 -10.273 1.00 0.00 N ATOM 43 CA LEU A 23 1.816 17.124 -10.974 1.00 0.00 C ATOM 44 C LEU A 23 2.482 16.271 -9.934 1.00 0.00 C ATOM 45 O LEU A 23 2.693 15.090 -10.102 1.00 0.00 O ATOM 46 CB LEU A 23 2.843 17.938 -11.765 1.00 0.00 C ATOM 47 CG LEU A 23 3.865 17.025 -12.455 1.00 0.00 C ATOM 48 CD1 LEU A 23 3.170 16.159 -13.515 1.00 0.00 C ATOM 49 CD2 LEU A 23 4.928 17.897 -13.131 1.00 0.00 C ATOM 0 H LEU A 23 1.306 18.987 -10.069 1.00 0.00 H new ATOM 0 HA LEU A 23 1.276 16.481 -11.668 1.00 0.00 H new ATOM 0 HB2 LEU A 23 2.332 18.545 -12.512 1.00 0.00 H new ATOM 0 HB3 LEU A 23 3.360 18.625 -11.095 1.00 0.00 H new ATOM 0 HG LEU A 23 4.327 16.373 -11.714 1.00 0.00 H new ATOM 0 HD11 LEU A 23 3.905 15.515 -13.998 1.00 0.00 H new ATOM 0 HD12 LEU A 23 2.406 15.544 -13.039 1.00 0.00 H new ATOM 0 HD13 LEU A 23 2.704 16.802 -14.262 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.661 17.259 -13.625 1.00 0.00 H new ATOM 0 HD22 LEU A 23 4.453 18.543 -13.869 1.00 0.00 H new ATOM 0 HD23 LEU A 23 5.428 18.509 -12.380 1.00 0.00 H new ATOM 61 N ILE A 24 2.779 16.868 -8.840 1.00 0.00 N ATOM 62 CA ILE A 24 3.404 16.123 -7.739 1.00 0.00 C ATOM 63 C ILE A 24 2.452 14.972 -7.395 1.00 0.00 C ATOM 64 O ILE A 24 2.819 14.004 -6.758 1.00 0.00 O ATOM 65 CB ILE A 24 3.603 17.082 -6.540 1.00 0.00 C ATOM 66 CG1 ILE A 24 3.545 18.563 -7.037 1.00 0.00 C ATOM 67 CG2 ILE A 24 4.956 16.794 -5.864 1.00 0.00 C ATOM 68 CD1 ILE A 24 4.290 19.492 -6.069 1.00 0.00 C ATOM 0 H ILE A 24 2.614 17.857 -8.655 1.00 0.00 H new ATOM 0 HA ILE A 24 4.382 15.723 -8.005 1.00 0.00 H new ATOM 0 HB ILE A 24 2.808 16.925 -5.811 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.987 18.635 -8.031 1.00 0.00 H new ATOM 0 HG13 ILE A 24 2.506 18.881 -7.126 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.093 17.471 -5.021 1.00 0.00 H new ATOM 0 HG22 ILE A 24 4.973 15.764 -5.509 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.761 16.943 -6.583 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.236 20.517 -6.435 1.00 0.00 H new ATOM 0 HD12 ILE A 24 3.830 19.434 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.334 19.185 -6.001 1.00 0.00 H new ATOM 80 N THR A 25 1.221 15.085 -7.841 1.00 0.00 N ATOM 81 CA THR A 25 0.208 14.017 -7.582 1.00 0.00 C ATOM 82 C THR A 25 0.044 13.138 -8.831 1.00 0.00 C ATOM 83 O THR A 25 0.006 11.927 -8.739 1.00 0.00 O ATOM 84 CB THR A 25 -1.139 14.660 -7.250 1.00 0.00 C ATOM 85 OG1 THR A 25 -1.034 15.376 -6.028 1.00 0.00 O ATOM 86 CG2 THR A 25 -2.210 13.576 -7.113 1.00 0.00 C ATOM 0 H THR A 25 0.875 15.880 -8.378 1.00 0.00 H new ATOM 0 HA THR A 25 0.545 13.405 -6.745 1.00 0.00 H new ATOM 0 HB THR A 25 -1.418 15.344 -8.052 1.00 0.00 H new ATOM 0 HG1 THR A 25 -0.345 16.068 -6.112 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.168 14.039 -6.876 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.294 13.027 -8.051 1.00 0.00 H new ATOM 0 HG23 THR A 25 -1.932 12.889 -6.314 1.00 0.00 H new ATOM 94 N ILE A 26 -0.063 13.729 -9.999 1.00 0.00 N ATOM 95 CA ILE A 26 -0.233 12.894 -11.228 1.00 0.00 C ATOM 96 C ILE A 26 1.018 12.080 -11.438 1.00 0.00 C ATOM 97 O ILE A 26 1.001 10.876 -11.591 1.00 0.00 O ATOM 98 CB ILE A 26 -0.417 13.799 -12.457 1.00 0.00 C ATOM 99 CG1 ILE A 26 -1.791 14.497 -12.426 1.00 0.00 C ATOM 100 CG2 ILE A 26 -0.308 12.972 -13.749 1.00 0.00 C ATOM 101 CD1 ILE A 26 -2.936 13.482 -12.300 1.00 0.00 C ATOM 0 H ILE A 26 -0.040 14.737 -10.152 1.00 0.00 H new ATOM 0 HA ILE A 26 -1.105 12.252 -11.104 1.00 0.00 H new ATOM 0 HB ILE A 26 0.369 14.554 -12.434 1.00 0.00 H new ATOM 0 HG12 ILE A 26 -1.827 15.194 -11.588 1.00 0.00 H new ATOM 0 HG13 ILE A 26 -1.922 15.084 -13.335 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -0.440 13.625 -14.611 1.00 0.00 H new ATOM 0 HG22 ILE A 26 0.674 12.501 -13.798 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -1.080 12.203 -13.755 1.00 0.00 H new ATOM 0 HD11 ILE A 26 -3.890 14.010 -12.281 1.00 0.00 H new ATOM 0 HD12 ILE A 26 -2.914 12.802 -13.151 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -2.818 12.913 -11.378 1.00 0.00 H new ATOM 113 N HIS A 27 2.096 12.758 -11.461 1.00 0.00 N ATOM 114 CA HIS A 27 3.399 12.098 -11.678 1.00 0.00 C ATOM 115 C HIS A 27 3.532 10.915 -10.713 1.00 0.00 C ATOM 116 O HIS A 27 4.402 10.078 -10.853 1.00 0.00 O ATOM 117 CB HIS A 27 4.496 13.145 -11.453 1.00 0.00 C ATOM 118 CG HIS A 27 5.646 12.905 -12.387 1.00 0.00 C ATOM 119 ND1 HIS A 27 6.888 12.464 -11.960 1.00 0.00 N ATOM 120 CD2 HIS A 27 5.739 13.049 -13.744 1.00 0.00 C ATOM 121 CE1 HIS A 27 7.672 12.359 -13.050 1.00 0.00 C ATOM 122 NE2 HIS A 27 7.020 12.704 -14.165 1.00 0.00 N ATOM 0 H HIS A 27 2.144 13.769 -11.337 1.00 0.00 H new ATOM 0 HA HIS A 27 3.487 11.705 -12.691 1.00 0.00 H new ATOM 0 HB2 HIS A 27 4.092 14.145 -11.612 1.00 0.00 H new ATOM 0 HB3 HIS A 27 4.842 13.102 -10.420 1.00 0.00 H new ATOM 0 HD2 HIS A 27 4.940 13.380 -14.391 1.00 0.00 H new ATOM 0 HE1 HIS A 27 8.702 12.035 -13.026 1.00 0.00 H new ATOM 0 HE2 HIS A 27 7.383 12.713 -15.118 1.00 0.00 H new ATOM 130 N ASP A 28 2.654 10.838 -9.743 1.00 0.00 N ATOM 131 CA ASP A 28 2.686 9.710 -8.765 1.00 0.00 C ATOM 132 C ASP A 28 1.514 8.768 -9.044 1.00 0.00 C ATOM 133 O ASP A 28 1.567 7.597 -8.727 1.00 0.00 O ATOM 134 CB ASP A 28 2.559 10.258 -7.344 1.00 0.00 C ATOM 135 CG ASP A 28 3.868 10.938 -6.937 1.00 0.00 C ATOM 136 OD1 ASP A 28 4.462 11.589 -7.782 1.00 0.00 O ATOM 137 OD2 ASP A 28 4.256 10.795 -5.789 1.00 0.00 O ATOM 0 H ASP A 28 1.909 11.517 -9.587 1.00 0.00 H new ATOM 0 HA ASP A 28 3.628 9.171 -8.865 1.00 0.00 H new ATOM 0 HB2 ASP A 28 1.736 10.970 -7.290 1.00 0.00 H new ATOM 0 HB3 ASP A 28 2.327 9.449 -6.651 1.00 0.00 H new ATOM 142 N ARG A 29 0.450 9.257 -9.632 1.00 0.00 N ATOM 143 CA ARG A 29 -0.699 8.351 -9.906 1.00 0.00 C ATOM 144 C ARG A 29 -0.249 7.274 -10.889 1.00 0.00 C ATOM 145 O ARG A 29 -0.898 6.259 -11.051 1.00 0.00 O ATOM 146 CB ARG A 29 -1.924 9.142 -10.440 1.00 0.00 C ATOM 147 CG ARG A 29 -1.862 9.398 -11.965 1.00 0.00 C ATOM 148 CD ARG A 29 -3.247 9.837 -12.457 1.00 0.00 C ATOM 149 NE ARG A 29 -3.870 10.750 -11.458 1.00 0.00 N ATOM 150 CZ ARG A 29 -4.913 11.462 -11.789 1.00 0.00 C ATOM 151 NH1 ARG A 29 -5.409 11.372 -12.992 1.00 0.00 N ATOM 152 NH2 ARG A 29 -5.459 12.265 -10.917 1.00 0.00 N ATOM 0 H ARG A 29 0.331 10.226 -9.928 1.00 0.00 H new ATOM 0 HA ARG A 29 -1.019 7.876 -8.979 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -2.835 8.591 -10.207 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -1.987 10.097 -9.919 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.123 10.167 -12.187 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.547 8.494 -12.486 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -3.158 10.342 -13.419 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -3.882 8.965 -12.612 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.482 10.819 -10.517 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -4.982 10.745 -13.674 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.224 11.928 -13.251 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.071 12.336 -9.976 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.274 12.821 -11.176 1.00 0.00 H new ATOM 166 N LYS A 30 0.864 7.487 -11.546 1.00 0.00 N ATOM 167 CA LYS A 30 1.367 6.473 -12.518 1.00 0.00 C ATOM 168 C LYS A 30 1.279 5.090 -11.870 1.00 0.00 C ATOM 169 O LYS A 30 1.031 4.098 -12.526 1.00 0.00 O ATOM 170 CB LYS A 30 2.822 6.784 -12.896 1.00 0.00 C ATOM 171 CG LYS A 30 3.605 7.212 -11.652 1.00 0.00 C ATOM 172 CD LYS A 30 5.063 7.504 -12.030 1.00 0.00 C ATOM 173 CE LYS A 30 5.754 6.225 -12.537 1.00 0.00 C ATOM 174 NZ LYS A 30 5.561 6.108 -14.010 1.00 0.00 N ATOM 0 H LYS A 30 1.445 8.320 -11.450 1.00 0.00 H new ATOM 0 HA LYS A 30 0.762 6.497 -13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 30 3.286 5.905 -13.344 1.00 0.00 H new ATOM 0 HB3 LYS A 30 2.851 7.576 -13.645 1.00 0.00 H new ATOM 0 HG2 LYS A 30 3.149 8.099 -11.212 1.00 0.00 H new ATOM 0 HG3 LYS A 30 3.566 6.426 -10.898 1.00 0.00 H new ATOM 0 HD2 LYS A 30 5.098 8.274 -12.801 1.00 0.00 H new ATOM 0 HD3 LYS A 30 5.598 7.895 -11.165 1.00 0.00 H new ATOM 0 HE2 LYS A 30 6.817 6.255 -12.300 1.00 0.00 H new ATOM 0 HE3 LYS A 30 5.340 5.351 -12.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 5.026 5.242 -14.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 5.034 6.934 -14.358 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 6.488 6.066 -14.479 1.00 0.00 H new ATOM 188 N GLU A 31 1.448 5.027 -10.578 1.00 0.00 N ATOM 189 CA GLU A 31 1.337 3.721 -9.879 1.00 0.00 C ATOM 190 C GLU A 31 -0.143 3.374 -9.766 1.00 0.00 C ATOM 191 O GLU A 31 -0.564 2.288 -10.101 1.00 0.00 O ATOM 192 CB GLU A 31 1.927 3.831 -8.478 1.00 0.00 C ATOM 193 CG GLU A 31 3.444 4.004 -8.563 1.00 0.00 C ATOM 194 CD GLU A 31 4.080 2.700 -9.050 1.00 0.00 C ATOM 195 OE1 GLU A 31 4.150 1.769 -8.265 1.00 0.00 O ATOM 196 OE2 GLU A 31 4.488 2.656 -10.200 1.00 0.00 O ATOM 0 H GLU A 31 1.658 5.825 -9.978 1.00 0.00 H new ATOM 0 HA GLU A 31 1.877 2.953 -10.433 1.00 0.00 H new ATOM 0 HB2 GLU A 31 1.485 4.678 -7.953 1.00 0.00 H new ATOM 0 HB3 GLU A 31 1.686 2.938 -7.902 1.00 0.00 H new ATOM 0 HG2 GLU A 31 3.690 4.818 -9.245 1.00 0.00 H new ATOM 0 HG3 GLU A 31 3.845 4.274 -7.586 1.00 0.00 H new ATOM 203 N PHE A 32 -0.945 4.303 -9.314 1.00 0.00 N ATOM 204 CA PHE A 32 -2.387 4.046 -9.201 1.00 0.00 C ATOM 205 C PHE A 32 -2.902 3.685 -10.580 1.00 0.00 C ATOM 206 O PHE A 32 -3.550 2.678 -10.783 1.00 0.00 O ATOM 207 CB PHE A 32 -3.057 5.322 -8.689 1.00 0.00 C ATOM 208 CG PHE A 32 -3.001 5.367 -7.178 1.00 0.00 C ATOM 209 CD1 PHE A 32 -1.901 5.949 -6.536 1.00 0.00 C ATOM 210 CD2 PHE A 32 -4.049 4.829 -6.422 1.00 0.00 C ATOM 211 CE1 PHE A 32 -1.848 5.992 -5.137 1.00 0.00 C ATOM 212 CE2 PHE A 32 -3.997 4.872 -5.023 1.00 0.00 C ATOM 213 CZ PHE A 32 -2.896 5.452 -4.381 1.00 0.00 C ATOM 0 H PHE A 32 -0.647 5.233 -9.019 1.00 0.00 H new ATOM 0 HA PHE A 32 -2.603 3.230 -8.511 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -2.558 6.197 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -4.094 5.357 -9.024 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -1.093 6.365 -7.120 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -4.898 4.381 -6.917 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -1.000 6.441 -4.642 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -4.806 4.458 -4.439 1.00 0.00 H new ATOM 0 HZ PHE A 32 -2.855 5.483 -3.302 1.00 0.00 H new ATOM 223 N ALA A 33 -2.584 4.495 -11.530 1.00 0.00 N ATOM 224 CA ALA A 33 -3.013 4.214 -12.922 1.00 0.00 C ATOM 225 C ALA A 33 -2.461 2.848 -13.320 1.00 0.00 C ATOM 226 O ALA A 33 -3.020 2.158 -14.143 1.00 0.00 O ATOM 227 CB ALA A 33 -2.461 5.288 -13.862 1.00 0.00 C ATOM 0 H ALA A 33 -2.040 5.349 -11.408 1.00 0.00 H new ATOM 0 HA ALA A 33 -4.101 4.218 -12.990 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -2.779 5.076 -14.883 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -2.838 6.265 -13.559 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -1.372 5.289 -13.814 1.00 0.00 H new ATOM 233 N LYS A 34 -1.366 2.445 -12.730 1.00 0.00 N ATOM 234 CA LYS A 34 -0.787 1.111 -13.062 1.00 0.00 C ATOM 235 C LYS A 34 -1.452 0.045 -12.190 1.00 0.00 C ATOM 236 O LYS A 34 -2.076 -0.872 -12.683 1.00 0.00 O ATOM 237 CB LYS A 34 0.719 1.118 -12.799 1.00 0.00 C ATOM 238 CG LYS A 34 1.315 -0.229 -13.212 1.00 0.00 C ATOM 239 CD LYS A 34 2.839 -0.176 -13.081 1.00 0.00 C ATOM 240 CE LYS A 34 3.451 -1.415 -13.736 1.00 0.00 C ATOM 241 NZ LYS A 34 4.883 -1.528 -13.342 1.00 0.00 N ATOM 0 H LYS A 34 -0.849 2.982 -12.034 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.964 0.891 -14.115 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.193 1.924 -13.359 1.00 0.00 H new ATOM 0 HB3 LYS A 34 0.914 1.306 -11.743 1.00 0.00 H new ATOM 0 HG2 LYS A 34 0.913 -1.024 -12.584 1.00 0.00 H new ATOM 0 HG3 LYS A 34 1.036 -0.462 -14.239 1.00 0.00 H new ATOM 0 HD2 LYS A 34 3.224 0.727 -13.555 1.00 0.00 H new ATOM 0 HD3 LYS A 34 3.123 -0.130 -12.030 1.00 0.00 H new ATOM 0 HE2 LYS A 34 2.907 -2.308 -13.429 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.365 -1.346 -14.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.300 -2.370 -13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.397 -0.680 -13.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.953 -1.612 -12.308 1.00 0.00 H new ATOM 255 N PHE A 35 -1.324 0.158 -10.892 1.00 0.00 N ATOM 256 CA PHE A 35 -1.954 -0.855 -9.996 1.00 0.00 C ATOM 257 C PHE A 35 -3.433 -0.990 -10.345 1.00 0.00 C ATOM 258 O PHE A 35 -4.106 -1.900 -9.910 1.00 0.00 O ATOM 259 CB PHE A 35 -1.792 -0.425 -8.529 1.00 0.00 C ATOM 260 CG PHE A 35 -0.423 -0.832 -8.021 1.00 0.00 C ATOM 261 CD1 PHE A 35 0.728 -0.317 -8.632 1.00 0.00 C ATOM 262 CD2 PHE A 35 -0.303 -1.724 -6.945 1.00 0.00 C ATOM 263 CE1 PHE A 35 1.994 -0.693 -8.167 1.00 0.00 C ATOM 264 CE2 PHE A 35 0.964 -2.098 -6.483 1.00 0.00 C ATOM 265 CZ PHE A 35 2.112 -1.583 -7.094 1.00 0.00 C ATOM 0 H PHE A 35 -0.814 0.903 -10.418 1.00 0.00 H new ATOM 0 HA PHE A 35 -1.465 -1.819 -10.134 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -1.916 0.654 -8.441 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -2.568 -0.886 -7.918 1.00 0.00 H new ATOM 0 HD1 PHE A 35 0.639 0.369 -9.461 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -1.189 -2.122 -6.473 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.881 -0.295 -8.637 1.00 0.00 H new ATOM 0 HE2 PHE A 35 1.055 -2.785 -5.654 1.00 0.00 H new ATOM 0 HZ PHE A 35 3.090 -1.872 -6.737 1.00 0.00 H new ATOM 275 N GLU A 36 -3.942 -0.099 -11.133 1.00 0.00 N ATOM 276 CA GLU A 36 -5.374 -0.188 -11.515 1.00 0.00 C ATOM 277 C GLU A 36 -5.657 -1.579 -12.078 1.00 0.00 C ATOM 278 O GLU A 36 -6.635 -2.218 -11.761 1.00 0.00 O ATOM 279 CB GLU A 36 -5.695 0.920 -12.531 1.00 0.00 C ATOM 280 CG GLU A 36 -5.265 0.489 -13.919 1.00 0.00 C ATOM 281 CD GLU A 36 -5.446 1.649 -14.901 1.00 0.00 C ATOM 282 OE1 GLU A 36 -5.891 2.699 -14.470 1.00 0.00 O ATOM 283 OE2 GLU A 36 -5.136 1.466 -16.067 1.00 0.00 O ATOM 0 H GLU A 36 -3.432 0.689 -11.532 1.00 0.00 H new ATOM 0 HA GLU A 36 -6.016 -0.042 -10.646 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.764 1.135 -12.522 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -5.183 1.841 -12.252 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -4.222 0.172 -13.905 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -5.855 -0.369 -14.242 1.00 0.00 H new ATOM 290 N GLU A 37 -4.800 -2.038 -12.916 1.00 0.00 N ATOM 291 CA GLU A 37 -4.990 -3.381 -13.531 1.00 0.00 C ATOM 292 C GLU A 37 -5.322 -4.418 -12.451 1.00 0.00 C ATOM 293 O GLU A 37 -5.989 -5.399 -12.713 1.00 0.00 O ATOM 294 CB GLU A 37 -3.704 -3.793 -14.252 1.00 0.00 C ATOM 295 CG GLU A 37 -3.977 -5.026 -15.116 1.00 0.00 C ATOM 296 CD GLU A 37 -2.703 -5.413 -15.871 1.00 0.00 C ATOM 297 OE1 GLU A 37 -1.630 -5.203 -15.330 1.00 0.00 O ATOM 298 OE2 GLU A 37 -2.824 -5.912 -16.978 1.00 0.00 O ATOM 0 H GLU A 37 -3.959 -1.543 -13.214 1.00 0.00 H new ATOM 0 HA GLU A 37 -5.816 -3.333 -14.241 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -3.344 -2.973 -14.873 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.921 -4.011 -13.526 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -4.308 -5.855 -14.491 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -4.781 -4.818 -15.821 1.00 0.00 H new ATOM 305 N GLU A 38 -4.845 -4.229 -11.249 1.00 0.00 N ATOM 306 CA GLU A 38 -5.111 -5.212 -10.178 1.00 0.00 C ATOM 307 C GLU A 38 -6.464 -4.942 -9.500 1.00 0.00 C ATOM 308 O GLU A 38 -7.340 -5.785 -9.487 1.00 0.00 O ATOM 309 CB GLU A 38 -3.991 -5.062 -9.148 1.00 0.00 C ATOM 310 CG GLU A 38 -2.725 -5.763 -9.649 1.00 0.00 C ATOM 311 CD GLU A 38 -1.601 -5.574 -8.628 1.00 0.00 C ATOM 312 OE1 GLU A 38 -1.801 -4.823 -7.689 1.00 0.00 O ATOM 313 OE2 GLU A 38 -0.558 -6.185 -8.804 1.00 0.00 O ATOM 0 H GLU A 38 -4.279 -3.428 -10.969 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.146 -6.218 -10.596 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -3.787 -4.006 -8.971 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.302 -5.490 -8.195 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.920 -6.825 -9.800 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -2.427 -5.353 -10.614 1.00 0.00 H new ATOM 320 N ARG A 39 -6.617 -3.784 -8.910 1.00 0.00 N ATOM 321 CA ARG A 39 -7.883 -3.434 -8.185 1.00 0.00 C ATOM 322 C ARG A 39 -8.651 -2.333 -8.898 1.00 0.00 C ATOM 323 O ARG A 39 -9.522 -1.766 -8.304 1.00 0.00 O ATOM 324 CB ARG A 39 -7.582 -3.016 -6.743 1.00 0.00 C ATOM 325 CG ARG A 39 -6.237 -2.274 -6.683 1.00 0.00 C ATOM 326 CD ARG A 39 -6.299 -1.218 -5.582 1.00 0.00 C ATOM 327 NE ARG A 39 -7.189 -1.696 -4.470 1.00 0.00 N ATOM 328 CZ ARG A 39 -7.124 -1.125 -3.297 1.00 0.00 C ATOM 329 NH1 ARG A 39 -6.278 -0.152 -3.092 1.00 0.00 N ATOM 330 NH2 ARG A 39 -7.905 -1.524 -2.332 1.00 0.00 N ATOM 0 H ARG A 39 -5.907 -3.052 -8.898 1.00 0.00 H new ATOM 0 HA ARG A 39 -8.508 -4.327 -8.173 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.379 -2.374 -6.368 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -7.551 -3.895 -6.099 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -5.428 -2.977 -6.485 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -6.023 -1.804 -7.643 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.298 -1.019 -5.199 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -6.678 -0.279 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.841 -2.463 -4.630 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -5.669 0.162 -3.847 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -6.226 0.295 -2.176 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.567 -2.283 -2.493 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.853 -1.077 -1.416 1.00 0.00 H new ATOM 344 N ALA A 40 -8.322 -2.009 -10.125 1.00 0.00 N ATOM 345 CA ALA A 40 -9.038 -0.915 -10.931 1.00 0.00 C ATOM 346 C ALA A 40 -10.509 -0.673 -10.498 1.00 0.00 C ATOM 347 O ALA A 40 -11.297 -0.086 -11.207 1.00 0.00 O ATOM 348 CB ALA A 40 -8.988 -1.275 -12.431 1.00 0.00 C ATOM 0 H ALA A 40 -7.564 -2.462 -10.635 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.508 0.017 -10.733 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -9.495 -0.502 -13.008 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -7.949 -1.346 -12.754 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.484 -2.232 -12.592 1.00 0.00 H new ATOM 354 N ARG A 41 -10.849 -1.132 -9.364 1.00 0.00 N ATOM 355 CA ARG A 41 -12.174 -0.998 -8.778 1.00 0.00 C ATOM 356 C ARG A 41 -12.157 0.211 -7.844 1.00 0.00 C ATOM 357 O ARG A 41 -13.176 0.737 -7.466 1.00 0.00 O ATOM 358 CB ARG A 41 -12.343 -2.261 -7.975 1.00 0.00 C ATOM 359 CG ARG A 41 -12.306 -3.509 -8.921 1.00 0.00 C ATOM 360 CD ARG A 41 -11.337 -4.611 -8.411 1.00 0.00 C ATOM 361 NE ARG A 41 -10.438 -5.061 -9.528 1.00 0.00 N ATOM 362 CZ ARG A 41 -10.917 -5.366 -10.709 1.00 0.00 C ATOM 363 NH1 ARG A 41 -12.204 -5.361 -10.921 1.00 0.00 N ATOM 364 NH2 ARG A 41 -10.102 -5.704 -11.671 1.00 0.00 N ATOM 0 H ARG A 41 -10.200 -1.642 -8.765 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.971 -0.861 -9.508 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.551 -2.336 -7.230 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -13.289 -2.233 -7.434 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.310 -3.924 -9.009 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -12.002 -3.195 -9.920 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -10.739 -4.227 -7.584 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -11.906 -5.458 -8.027 1.00 0.00 H new ATOM 0 HE ARG A 41 -9.434 -5.130 -9.363 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -12.844 -5.119 -10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -12.570 -5.599 -11.843 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -9.096 -5.730 -11.502 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -10.471 -5.942 -12.592 1.00 0.00 H new ATOM 378 N ALA A 42 -10.980 0.643 -7.469 1.00 0.00 N ATOM 379 CA ALA A 42 -10.853 1.804 -6.532 1.00 0.00 C ATOM 380 C ALA A 42 -11.383 3.071 -7.169 1.00 0.00 C ATOM 381 O ALA A 42 -11.312 4.150 -6.612 1.00 0.00 O ATOM 382 CB ALA A 42 -9.391 1.993 -6.126 1.00 0.00 C ATOM 0 H ALA A 42 -10.094 0.239 -7.773 1.00 0.00 H new ATOM 0 HA ALA A 42 -11.447 1.593 -5.642 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -9.309 2.840 -5.445 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -9.032 1.092 -5.629 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -8.788 2.183 -7.014 1.00 0.00 H new ATOM 388 N LYS A 43 -11.905 2.934 -8.331 1.00 0.00 N ATOM 389 CA LYS A 43 -12.465 4.096 -9.081 1.00 0.00 C ATOM 390 C LYS A 43 -13.958 3.961 -9.179 1.00 0.00 C ATOM 391 O LYS A 43 -14.668 4.928 -9.377 1.00 0.00 O ATOM 392 CB LYS A 43 -11.848 4.168 -10.479 1.00 0.00 C ATOM 393 CG LYS A 43 -11.567 2.755 -11.072 1.00 0.00 C ATOM 394 CD LYS A 43 -10.096 2.643 -11.520 1.00 0.00 C ATOM 395 CE LYS A 43 -9.866 3.510 -12.763 1.00 0.00 C ATOM 396 NZ LYS A 43 -10.366 2.791 -13.969 1.00 0.00 N ATOM 0 H LYS A 43 -11.977 2.042 -8.821 1.00 0.00 H new ATOM 0 HA LYS A 43 -12.224 5.016 -8.548 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -12.520 4.712 -11.143 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -10.917 4.733 -10.435 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -11.786 1.991 -10.326 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.227 2.572 -11.920 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.435 2.963 -10.714 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.851 1.604 -11.739 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.382 4.464 -12.655 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -8.805 3.733 -12.873 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -10.119 3.332 -14.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.929 1.849 -14.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.399 2.690 -13.910 1.00 0.00 H new ATOM 410 N TRP A 44 -14.447 2.784 -9.008 1.00 0.00 N ATOM 411 CA TRP A 44 -15.926 2.592 -9.049 1.00 0.00 C ATOM 412 C TRP A 44 -16.315 1.504 -8.063 1.00 0.00 C ATOM 413 O TRP A 44 -17.367 0.902 -8.151 1.00 0.00 O ATOM 414 CB TRP A 44 -16.394 2.240 -10.455 1.00 0.00 C ATOM 415 CG TRP A 44 -15.431 1.321 -11.057 1.00 0.00 C ATOM 416 CD1 TRP A 44 -14.469 1.725 -11.856 1.00 0.00 C ATOM 417 CD2 TRP A 44 -15.313 -0.121 -10.940 1.00 0.00 C ATOM 418 NE1 TRP A 44 -13.702 0.647 -12.218 1.00 0.00 N ATOM 419 CE2 TRP A 44 -14.188 -0.524 -11.683 1.00 0.00 C ATOM 420 CE3 TRP A 44 -16.047 -1.105 -10.261 1.00 0.00 C ATOM 421 CZ2 TRP A 44 -13.792 -1.853 -11.749 1.00 0.00 C ATOM 422 CZ3 TRP A 44 -15.659 -2.455 -10.334 1.00 0.00 C ATOM 423 CH2 TRP A 44 -14.528 -2.825 -11.072 1.00 0.00 C ATOM 0 H TRP A 44 -13.899 1.940 -8.841 1.00 0.00 H new ATOM 0 HA TRP A 44 -16.414 3.525 -8.768 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -17.382 1.781 -10.420 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -16.483 3.142 -11.060 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -14.308 2.744 -12.177 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -12.874 0.706 -12.810 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -16.913 -0.825 -9.680 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -12.920 -2.132 -12.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -16.236 -3.209 -9.819 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -14.226 -3.861 -11.117 1.00 0.00 H new ATOM 434 N ASP A 45 -15.452 1.246 -7.130 1.00 0.00 N ATOM 435 CA ASP A 45 -15.727 0.183 -6.121 1.00 0.00 C ATOM 436 C ASP A 45 -14.671 0.185 -5.033 1.00 0.00 C ATOM 437 O ASP A 45 -14.925 0.530 -3.901 1.00 0.00 O ATOM 438 CB ASP A 45 -15.705 -1.180 -6.829 1.00 0.00 C ATOM 439 CG ASP A 45 -17.144 -1.717 -7.007 1.00 0.00 C ATOM 440 OD1 ASP A 45 -17.951 -1.514 -6.115 1.00 0.00 O ATOM 441 OD2 ASP A 45 -17.405 -2.336 -8.022 1.00 0.00 O ATOM 0 H ASP A 45 -14.559 1.727 -7.018 1.00 0.00 H new ATOM 0 HA ASP A 45 -16.699 0.371 -5.665 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -15.223 -1.084 -7.802 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -15.114 -1.889 -6.249 1.00 0.00 H new ATOM 446 N THR A 46 -13.516 -0.276 -5.388 1.00 0.00 N ATOM 447 CA THR A 46 -12.388 -0.416 -4.429 1.00 0.00 C ATOM 448 C THR A 46 -12.599 -1.712 -3.715 1.00 0.00 C ATOM 449 O THR A 46 -11.675 -2.414 -3.384 1.00 0.00 O ATOM 450 CB THR A 46 -12.312 0.792 -3.457 1.00 0.00 C ATOM 451 OG1 THR A 46 -10.965 1.240 -3.396 1.00 0.00 O ATOM 452 CG2 THR A 46 -12.777 0.441 -2.028 1.00 0.00 C ATOM 0 H THR A 46 -13.295 -0.574 -6.338 1.00 0.00 H new ATOM 0 HA THR A 46 -11.429 -0.422 -4.947 1.00 0.00 H new ATOM 0 HB THR A 46 -12.980 1.563 -3.840 1.00 0.00 H new ATOM 0 HG1 THR A 46 -10.902 2.005 -2.786 1.00 0.00 H new ATOM 0 HG21 THR A 46 -12.702 1.324 -1.394 1.00 0.00 H new ATOM 0 HG22 THR A 46 -13.812 0.101 -2.055 1.00 0.00 H new ATOM 0 HG23 THR A 46 -12.146 -0.351 -1.624 1.00 0.00 H new ATOM 460 N ALA A 47 -13.830 -2.025 -3.495 1.00 0.00 N ATOM 461 CA ALA A 47 -14.177 -3.299 -2.815 1.00 0.00 C ATOM 462 C ALA A 47 -14.770 -4.298 -3.796 1.00 0.00 C ATOM 463 O ALA A 47 -14.431 -5.462 -3.758 1.00 0.00 O ATOM 464 CB ALA A 47 -15.171 -3.032 -1.683 1.00 0.00 C ATOM 0 H ALA A 47 -14.629 -1.448 -3.759 1.00 0.00 H new ATOM 0 HA ALA A 47 -13.262 -3.725 -2.403 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -15.421 -3.971 -1.189 1.00 0.00 H new ATOM 0 HB2 ALA A 47 -14.724 -2.349 -0.960 1.00 0.00 H new ATOM 0 HB3 ALA A 47 -16.077 -2.585 -2.092 1.00 0.00 H new ATOM 470 N ASN A 48 -15.657 -3.849 -4.652 1.00 0.00 N ATOM 471 CA ASN A 48 -16.331 -4.776 -5.655 1.00 0.00 C ATOM 472 C ASN A 48 -16.278 -6.235 -5.163 1.00 0.00 C ATOM 473 O ASN A 48 -16.598 -6.542 -4.032 1.00 0.00 O ATOM 474 CB ASN A 48 -15.619 -4.714 -7.018 1.00 0.00 C ATOM 475 CG ASN A 48 -14.186 -5.216 -6.862 1.00 0.00 C ATOM 476 OD1 ASN A 48 -13.886 -6.342 -7.205 1.00 0.00 O ATOM 477 ND2 ASN A 48 -13.280 -4.429 -6.354 1.00 0.00 N ATOM 0 H ASN A 48 -15.954 -2.875 -4.710 1.00 0.00 H new ATOM 0 HA ASN A 48 -17.365 -4.448 -5.757 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -16.152 -5.323 -7.748 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -15.619 -3.691 -7.395 1.00 0.00 H new ATOM 0 HD21 ASN A 48 -12.321 -4.759 -6.245 1.00 0.00 H new ATOM 0 HD22 ASN A 48 -13.530 -3.483 -6.065 1.00 0.00 H new ATOM 484 N ASN A 49 -15.816 -7.111 -6.007 1.00 0.00 N ATOM 485 CA ASN A 49 -15.651 -8.537 -5.650 1.00 0.00 C ATOM 486 C ASN A 49 -14.387 -8.636 -4.765 1.00 0.00 C ATOM 487 O ASN A 49 -13.507 -7.809 -4.898 1.00 0.00 O ATOM 488 CB ASN A 49 -15.450 -9.324 -6.961 1.00 0.00 C ATOM 489 CG ASN A 49 -16.389 -10.520 -7.035 1.00 0.00 C ATOM 490 OD1 ASN A 49 -15.990 -11.654 -6.858 1.00 0.00 O ATOM 491 ND2 ASN A 49 -17.621 -10.289 -7.312 1.00 0.00 N ATOM 0 H ASN A 49 -15.538 -6.885 -6.962 1.00 0.00 H new ATOM 0 HA ASN A 49 -16.512 -8.938 -5.116 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -15.626 -8.667 -7.813 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -14.417 -9.665 -7.029 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -18.281 -11.063 -7.386 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -17.940 -9.331 -7.458 1.00 0.00 H new ATOM 498 N PRO A 50 -14.313 -9.610 -3.885 1.00 0.00 N ATOM 499 CA PRO A 50 -13.139 -9.747 -3.005 1.00 0.00 C ATOM 500 C PRO A 50 -11.840 -9.646 -3.790 1.00 0.00 C ATOM 501 O PRO A 50 -10.772 -9.510 -3.233 1.00 0.00 O ATOM 502 CB PRO A 50 -13.317 -11.106 -2.297 1.00 0.00 C ATOM 503 CG PRO A 50 -14.720 -11.652 -2.703 1.00 0.00 C ATOM 504 CD PRO A 50 -15.351 -10.640 -3.692 1.00 0.00 C ATOM 0 HA PRO A 50 -13.074 -8.941 -2.274 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -12.532 -11.801 -2.594 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -13.247 -10.989 -1.216 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -14.629 -12.634 -3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -15.353 -11.773 -1.824 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -15.614 -11.119 -4.635 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.267 -10.209 -3.287 1.00 0.00 H new ATOM 512 N LEU A 51 -11.944 -9.647 -5.070 1.00 0.00 N ATOM 513 CA LEU A 51 -10.762 -9.479 -5.952 1.00 0.00 C ATOM 514 C LEU A 51 -9.861 -8.393 -5.385 1.00 0.00 C ATOM 515 O LEU A 51 -8.665 -8.517 -5.217 1.00 0.00 O ATOM 516 CB LEU A 51 -11.346 -8.960 -7.245 1.00 0.00 C ATOM 517 CG LEU A 51 -10.394 -9.127 -8.448 1.00 0.00 C ATOM 518 CD1 LEU A 51 -8.950 -8.761 -8.085 1.00 0.00 C ATOM 519 CD2 LEU A 51 -10.435 -10.574 -8.958 1.00 0.00 C ATOM 0 H LEU A 51 -12.827 -9.761 -5.568 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.187 -10.399 -6.060 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -12.279 -9.484 -7.452 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -11.593 -7.905 -7.128 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.734 -8.447 -9.229 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.311 -8.892 -8.958 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -8.909 -7.722 -7.758 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -8.602 -9.409 -7.280 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -9.759 -10.680 -9.807 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.125 -11.250 -8.161 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -11.450 -10.822 -9.269 1.00 0.00 H new ATOM 531 N TYR A 52 -10.513 -7.326 -5.117 1.00 0.00 N ATOM 532 CA TYR A 52 -9.904 -6.110 -4.568 1.00 0.00 C ATOM 533 C TYR A 52 -9.104 -6.533 -3.347 1.00 0.00 C ATOM 534 O TYR A 52 -8.031 -6.040 -3.062 1.00 0.00 O ATOM 535 CB TYR A 52 -11.062 -5.161 -4.223 1.00 0.00 C ATOM 536 CG TYR A 52 -11.259 -5.115 -2.717 1.00 0.00 C ATOM 537 CD1 TYR A 52 -10.530 -4.209 -1.936 1.00 0.00 C ATOM 538 CD2 TYR A 52 -12.160 -5.997 -2.106 1.00 0.00 C ATOM 539 CE1 TYR A 52 -10.708 -4.180 -0.547 1.00 0.00 C ATOM 540 CE2 TYR A 52 -12.335 -5.969 -0.718 1.00 0.00 C ATOM 541 CZ TYR A 52 -11.611 -5.060 0.061 1.00 0.00 C ATOM 542 OH TYR A 52 -11.784 -5.033 1.431 1.00 0.00 O ATOM 0 H TYR A 52 -11.518 -7.241 -5.267 1.00 0.00 H new ATOM 0 HA TYR A 52 -9.230 -5.596 -5.254 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -10.850 -4.161 -4.602 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -11.978 -5.498 -4.709 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -9.831 -3.533 -2.405 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -12.720 -6.699 -2.707 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -10.149 -3.479 0.055 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -13.029 -6.650 -0.248 1.00 0.00 H new ATOM 0 HH TYR A 52 -12.447 -5.707 1.690 1.00 0.00 H new ATOM 552 N LYS A 53 -9.645 -7.486 -2.648 1.00 0.00 N ATOM 553 CA LYS A 53 -8.973 -8.027 -1.449 1.00 0.00 C ATOM 554 C LYS A 53 -7.973 -9.065 -1.928 1.00 0.00 C ATOM 555 O LYS A 53 -7.027 -9.405 -1.246 1.00 0.00 O ATOM 556 CB LYS A 53 -10.023 -8.665 -0.513 1.00 0.00 C ATOM 557 CG LYS A 53 -9.626 -8.466 0.956 1.00 0.00 C ATOM 558 CD LYS A 53 -8.244 -9.078 1.210 1.00 0.00 C ATOM 559 CE LYS A 53 -8.034 -9.271 2.713 1.00 0.00 C ATOM 560 NZ LYS A 53 -8.813 -10.456 3.174 1.00 0.00 N ATOM 0 H LYS A 53 -10.543 -7.919 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.462 -7.243 -0.890 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -11.000 -8.218 -0.695 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -10.113 -9.729 -0.730 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -9.613 -7.403 1.197 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -10.365 -8.932 1.608 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -8.159 -10.035 0.695 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -7.468 -8.429 0.805 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -6.975 -9.412 2.928 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -8.353 -8.380 3.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -8.449 -10.774 4.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -9.816 -10.197 3.269 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -8.719 -11.225 2.480 1.00 0.00 H new ATOM 574 N GLU A 54 -8.175 -9.569 -3.114 1.00 0.00 N ATOM 575 CA GLU A 54 -7.214 -10.593 -3.642 1.00 0.00 C ATOM 576 C GLU A 54 -6.022 -9.890 -4.265 1.00 0.00 C ATOM 577 O GLU A 54 -4.920 -10.398 -4.285 1.00 0.00 O ATOM 578 CB GLU A 54 -7.874 -11.480 -4.698 1.00 0.00 C ATOM 579 CG GLU A 54 -9.109 -12.175 -4.104 1.00 0.00 C ATOM 580 CD GLU A 54 -8.689 -13.452 -3.369 1.00 0.00 C ATOM 581 OE1 GLU A 54 -7.997 -14.257 -3.969 1.00 0.00 O ATOM 582 OE2 GLU A 54 -9.066 -13.601 -2.219 1.00 0.00 O ATOM 0 H GLU A 54 -8.947 -9.326 -3.735 1.00 0.00 H new ATOM 0 HA GLU A 54 -6.896 -11.221 -2.810 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -8.164 -10.879 -5.560 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -7.163 -12.226 -5.054 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -9.620 -11.501 -3.416 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -9.816 -12.418 -4.897 1.00 0.00 H new ATOM 589 N ALA A 55 -6.240 -8.721 -4.769 1.00 0.00 N ATOM 590 CA ALA A 55 -5.123 -7.964 -5.394 1.00 0.00 C ATOM 591 C ALA A 55 -3.989 -7.840 -4.379 1.00 0.00 C ATOM 592 O ALA A 55 -2.826 -7.893 -4.723 1.00 0.00 O ATOM 593 CB ALA A 55 -5.608 -6.572 -5.805 1.00 0.00 C ATOM 0 H ALA A 55 -7.144 -8.249 -4.779 1.00 0.00 H new ATOM 0 HA ALA A 55 -4.769 -8.488 -6.282 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.786 -6.021 -6.262 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -6.424 -6.668 -6.521 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -5.960 -6.034 -4.924 1.00 0.00 H new ATOM 599 N THR A 56 -4.321 -7.697 -3.125 1.00 0.00 N ATOM 600 CA THR A 56 -3.270 -7.594 -2.088 1.00 0.00 C ATOM 601 C THR A 56 -2.768 -9.001 -1.796 1.00 0.00 C ATOM 602 O THR A 56 -1.605 -9.230 -1.527 1.00 0.00 O ATOM 603 CB THR A 56 -3.882 -6.966 -0.827 1.00 0.00 C ATOM 604 OG1 THR A 56 -5.290 -7.146 -0.854 1.00 0.00 O ATOM 605 CG2 THR A 56 -3.566 -5.465 -0.766 1.00 0.00 C ATOM 0 H THR A 56 -5.279 -7.648 -2.779 1.00 0.00 H new ATOM 0 HA THR A 56 -2.440 -6.971 -2.421 1.00 0.00 H new ATOM 0 HB THR A 56 -3.457 -7.451 0.051 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.497 -8.102 -0.909 1.00 0.00 H new ATOM 0 HG21 THR A 56 -4.007 -5.037 0.134 1.00 0.00 H new ATOM 0 HG22 THR A 56 -2.486 -5.321 -0.744 1.00 0.00 H new ATOM 0 HG23 THR A 56 -3.980 -4.970 -1.644 1.00 0.00 H new ATOM 613 N SER A 57 -3.651 -9.939 -1.873 1.00 0.00 N ATOM 614 CA SER A 57 -3.269 -11.353 -1.631 1.00 0.00 C ATOM 615 C SER A 57 -2.252 -11.754 -2.691 1.00 0.00 C ATOM 616 O SER A 57 -1.488 -12.681 -2.522 1.00 0.00 O ATOM 617 CB SER A 57 -4.504 -12.251 -1.735 1.00 0.00 C ATOM 618 OG SER A 57 -5.553 -11.698 -0.952 1.00 0.00 O ATOM 0 H SER A 57 -4.635 -9.791 -2.096 1.00 0.00 H new ATOM 0 HA SER A 57 -2.843 -11.463 -0.634 1.00 0.00 H new ATOM 0 HB2 SER A 57 -4.818 -12.338 -2.775 1.00 0.00 H new ATOM 0 HB3 SER A 57 -4.267 -13.257 -1.388 1.00 0.00 H new ATOM 0 HG SER A 57 -5.809 -10.826 -1.318 1.00 0.00 H new ATOM 624 N THR A 58 -2.233 -11.042 -3.789 1.00 0.00 N ATOM 625 CA THR A 58 -1.267 -11.353 -4.868 1.00 0.00 C ATOM 626 C THR A 58 0.122 -11.472 -4.248 1.00 0.00 C ATOM 627 O THR A 58 1.043 -12.014 -4.828 1.00 0.00 O ATOM 628 CB THR A 58 -1.272 -10.223 -5.902 1.00 0.00 C ATOM 629 OG1 THR A 58 -2.607 -9.981 -6.327 1.00 0.00 O ATOM 630 CG2 THR A 58 -0.416 -10.623 -7.103 1.00 0.00 C ATOM 0 H THR A 58 -2.853 -10.254 -3.979 1.00 0.00 H new ATOM 0 HA THR A 58 -1.540 -12.286 -5.361 1.00 0.00 H new ATOM 0 HB THR A 58 -0.862 -9.318 -5.455 1.00 0.00 H new ATOM 0 HG1 THR A 58 -2.860 -9.061 -6.104 1.00 0.00 H new ATOM 0 HG21 THR A 58 -0.421 -9.818 -7.838 1.00 0.00 H new ATOM 0 HG22 THR A 58 0.607 -10.809 -6.775 1.00 0.00 H new ATOM 0 HG23 THR A 58 -0.823 -11.528 -7.554 1.00 0.00 H new ATOM 638 N PHE A 59 0.262 -10.956 -3.061 1.00 0.00 N ATOM 639 CA PHE A 59 1.567 -11.006 -2.351 1.00 0.00 C ATOM 640 C PHE A 59 1.659 -12.294 -1.560 1.00 0.00 C ATOM 641 O PHE A 59 2.636 -13.014 -1.592 1.00 0.00 O ATOM 642 CB PHE A 59 1.607 -9.831 -1.382 1.00 0.00 C ATOM 643 CG PHE A 59 3.018 -9.617 -0.890 1.00 0.00 C ATOM 644 CD1 PHE A 59 3.910 -8.840 -1.638 1.00 0.00 C ATOM 645 CD2 PHE A 59 3.435 -10.195 0.315 1.00 0.00 C ATOM 646 CE1 PHE A 59 5.219 -8.641 -1.181 1.00 0.00 C ATOM 647 CE2 PHE A 59 4.742 -9.997 0.772 1.00 0.00 C ATOM 648 CZ PHE A 59 5.635 -9.220 0.024 1.00 0.00 C ATOM 0 H PHE A 59 -0.486 -10.494 -2.544 1.00 0.00 H new ATOM 0 HA PHE A 59 2.392 -10.958 -3.061 1.00 0.00 H new ATOM 0 HB2 PHE A 59 1.244 -8.929 -1.875 1.00 0.00 H new ATOM 0 HB3 PHE A 59 0.944 -10.022 -0.538 1.00 0.00 H new ATOM 0 HD1 PHE A 59 3.589 -8.394 -2.568 1.00 0.00 H new ATOM 0 HD2 PHE A 59 2.747 -10.794 0.892 1.00 0.00 H new ATOM 0 HE1 PHE A 59 5.907 -8.041 -1.758 1.00 0.00 H new ATOM 0 HE2 PHE A 59 5.062 -10.443 1.702 1.00 0.00 H new ATOM 0 HZ PHE A 59 6.644 -9.067 0.376 1.00 0.00 H new ATOM 658 N THR A 60 0.631 -12.558 -0.842 1.00 0.00 N ATOM 659 CA THR A 60 0.575 -13.784 0.003 1.00 0.00 C ATOM 660 C THR A 60 0.246 -14.990 -0.881 1.00 0.00 C ATOM 661 O THR A 60 0.567 -16.116 -0.568 1.00 0.00 O ATOM 662 CB THR A 60 -0.483 -13.562 1.112 1.00 0.00 C ATOM 663 OG1 THR A 60 0.178 -13.415 2.359 1.00 0.00 O ATOM 664 CG2 THR A 60 -1.477 -14.727 1.208 1.00 0.00 C ATOM 0 H THR A 60 -0.201 -11.970 -0.794 1.00 0.00 H new ATOM 0 HA THR A 60 1.534 -13.983 0.481 1.00 0.00 H new ATOM 0 HB THR A 60 -1.046 -12.664 0.859 1.00 0.00 H new ATOM 0 HG1 THR A 60 -0.485 -13.272 3.066 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.199 -14.525 1.999 1.00 0.00 H new ATOM 0 HG22 THR A 60 -2.001 -14.837 0.259 1.00 0.00 H new ATOM 0 HG23 THR A 60 -0.938 -15.647 1.434 1.00 0.00 H new ATOM 672 N ASN A 61 -0.392 -14.748 -1.976 1.00 0.00 N ATOM 673 CA ASN A 61 -0.759 -15.860 -2.902 1.00 0.00 C ATOM 674 C ASN A 61 0.488 -16.667 -3.254 1.00 0.00 C ATOM 675 O ASN A 61 0.417 -17.710 -3.873 1.00 0.00 O ATOM 676 CB ASN A 61 -1.352 -15.275 -4.179 1.00 0.00 C ATOM 677 CG ASN A 61 -1.925 -16.400 -5.043 1.00 0.00 C ATOM 678 OD1 ASN A 61 -1.214 -17.008 -5.817 1.00 0.00 O ATOM 679 ND2 ASN A 61 -3.189 -16.706 -4.939 1.00 0.00 N ATOM 0 H ASN A 61 -0.683 -13.820 -2.282 1.00 0.00 H new ATOM 0 HA ASN A 61 -1.488 -16.509 -2.417 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -2.135 -14.558 -3.933 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -0.585 -14.733 -4.732 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -3.581 -17.456 -5.508 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -3.786 -16.195 -4.289 1.00 0.00 H new ATOM 686 N ILE A 62 1.631 -16.180 -2.868 1.00 0.00 N ATOM 687 CA ILE A 62 2.916 -16.887 -3.170 1.00 0.00 C ATOM 688 C ILE A 62 3.376 -17.599 -1.906 1.00 0.00 C ATOM 689 O ILE A 62 4.211 -18.481 -1.930 1.00 0.00 O ATOM 690 CB ILE A 62 3.973 -15.851 -3.608 1.00 0.00 C ATOM 691 CG1 ILE A 62 3.274 -14.689 -4.313 1.00 0.00 C ATOM 692 CG2 ILE A 62 4.981 -16.496 -4.565 1.00 0.00 C ATOM 693 CD1 ILE A 62 4.319 -13.687 -4.809 1.00 0.00 C ATOM 0 H ILE A 62 1.737 -15.309 -2.348 1.00 0.00 H new ATOM 0 HA ILE A 62 2.778 -17.611 -3.973 1.00 0.00 H new ATOM 0 HB ILE A 62 4.504 -15.487 -2.728 1.00 0.00 H new ATOM 0 HG12 ILE A 62 2.685 -15.060 -5.151 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.581 -14.199 -3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 62 5.721 -15.755 -4.867 1.00 0.00 H new ATOM 0 HG22 ILE A 62 5.480 -17.325 -4.063 1.00 0.00 H new ATOM 0 HG23 ILE A 62 4.459 -16.868 -5.447 1.00 0.00 H new ATOM 0 HD11 ILE A 62 3.819 -12.859 -5.312 1.00 0.00 H new ATOM 0 HD12 ILE A 62 4.889 -13.306 -3.962 1.00 0.00 H new ATOM 0 HD13 ILE A 62 4.994 -14.181 -5.508 1.00 0.00 H new ATOM 705 N THR A 63 2.814 -17.206 -0.802 1.00 0.00 N ATOM 706 CA THR A 63 3.164 -17.821 0.514 1.00 0.00 C ATOM 707 C THR A 63 1.932 -18.565 1.022 1.00 0.00 C ATOM 708 O THR A 63 1.998 -19.383 1.917 1.00 0.00 O ATOM 709 CB THR A 63 3.595 -16.705 1.473 1.00 0.00 C ATOM 710 OG1 THR A 63 5.013 -16.643 1.503 1.00 0.00 O ATOM 711 CG2 THR A 63 3.072 -16.928 2.901 1.00 0.00 C ATOM 0 H THR A 63 2.111 -16.469 -0.750 1.00 0.00 H new ATOM 0 HA THR A 63 3.989 -18.528 0.430 1.00 0.00 H new ATOM 0 HB THR A 63 3.170 -15.771 1.107 1.00 0.00 H new ATOM 0 HG1 THR A 63 5.296 -15.930 2.113 1.00 0.00 H new ATOM 0 HG21 THR A 63 3.404 -16.111 3.542 1.00 0.00 H new ATOM 0 HG22 THR A 63 1.983 -16.960 2.889 1.00 0.00 H new ATOM 0 HG23 THR A 63 3.458 -17.872 3.287 1.00 0.00 H new ATOM 719 N TYR A 64 0.811 -18.273 0.442 1.00 0.00 N ATOM 720 CA TYR A 64 -0.452 -18.945 0.864 1.00 0.00 C ATOM 721 C TYR A 64 -0.260 -20.464 0.866 1.00 0.00 C ATOM 722 O TYR A 64 -1.109 -21.206 1.318 1.00 0.00 O ATOM 723 CB TYR A 64 -1.599 -18.559 -0.088 1.00 0.00 C ATOM 724 CG TYR A 64 -1.535 -19.373 -1.384 1.00 0.00 C ATOM 725 CD1 TYR A 64 -0.329 -19.507 -2.111 1.00 0.00 C ATOM 726 CD2 TYR A 64 -2.698 -19.999 -1.857 1.00 0.00 C ATOM 727 CE1 TYR A 64 -0.306 -20.259 -3.292 1.00 0.00 C ATOM 728 CE2 TYR A 64 -2.665 -20.749 -3.039 1.00 0.00 C ATOM 729 CZ TYR A 64 -1.471 -20.878 -3.756 1.00 0.00 C ATOM 730 OH TYR A 64 -1.443 -21.618 -4.920 1.00 0.00 O ATOM 0 H TYR A 64 0.708 -17.594 -0.312 1.00 0.00 H new ATOM 0 HA TYR A 64 -0.707 -18.619 1.872 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -2.557 -18.727 0.404 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.542 -17.495 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 64 0.573 -19.030 -1.756 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -3.623 -19.902 -1.307 1.00 0.00 H new ATOM 0 HE1 TYR A 64 0.615 -20.361 -3.847 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -3.563 -21.229 -3.398 1.00 0.00 H new ATOM 0 HH TYR A 64 -2.336 -21.980 -5.099 1.00 0.00 H new ATOM 740 N ARG A 65 0.843 -20.928 0.360 1.00 0.00 N ATOM 741 CA ARG A 65 1.083 -22.397 0.327 1.00 0.00 C ATOM 742 C ARG A 65 1.187 -22.929 1.758 1.00 0.00 C ATOM 743 O ARG A 65 1.436 -24.097 1.980 1.00 0.00 O ATOM 744 CB ARG A 65 2.387 -22.685 -0.421 1.00 0.00 C ATOM 745 CG ARG A 65 3.491 -21.766 0.106 1.00 0.00 C ATOM 746 CD ARG A 65 4.850 -22.267 -0.386 1.00 0.00 C ATOM 747 NE ARG A 65 5.906 -21.287 -0.009 1.00 0.00 N ATOM 748 CZ ARG A 65 7.165 -21.633 -0.054 1.00 0.00 C ATOM 749 NH1 ARG A 65 7.496 -22.838 -0.428 1.00 0.00 N ATOM 750 NH2 ARG A 65 8.089 -20.773 0.275 1.00 0.00 N ATOM 0 H ARG A 65 1.590 -20.356 -0.033 1.00 0.00 H new ATOM 0 HA ARG A 65 0.255 -22.889 -0.184 1.00 0.00 H new ATOM 0 HB2 ARG A 65 2.673 -23.728 -0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 65 2.248 -22.527 -1.491 1.00 0.00 H new ATOM 0 HG2 ARG A 65 3.323 -20.745 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 65 3.472 -21.745 1.196 1.00 0.00 H new ATOM 0 HD2 ARG A 65 5.070 -23.241 0.050 1.00 0.00 H new ATOM 0 HD3 ARG A 65 4.831 -22.399 -1.468 1.00 0.00 H new ATOM 0 HE ARG A 65 5.646 -20.345 0.284 1.00 0.00 H new ATOM 0 HH11 ARG A 65 6.772 -23.509 -0.685 1.00 0.00 H new ATOM 0 HH12 ARG A 65 8.479 -23.109 -0.463 1.00 0.00 H new ATOM 0 HH21 ARG A 65 7.828 -19.831 0.567 1.00 0.00 H new ATOM 0 HH22 ARG A 65 9.072 -21.042 0.240 1.00 0.00 H new ATOM 764 N GLY A 66 0.997 -22.080 2.730 1.00 0.00 N ATOM 765 CA GLY A 66 1.084 -22.537 4.147 1.00 0.00 C ATOM 766 C GLY A 66 2.397 -23.291 4.361 1.00 0.00 C ATOM 767 O GLY A 66 2.491 -24.167 5.197 1.00 0.00 O ATOM 0 H GLY A 66 0.785 -21.090 2.605 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.030 -21.681 4.820 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.239 -23.183 4.384 1.00 0.00 H new ATOM 771 N THR A 67 3.413 -22.958 3.612 1.00 0.00 N ATOM 772 CA THR A 67 4.719 -23.656 3.774 1.00 0.00 C ATOM 773 C THR A 67 4.504 -25.168 3.683 1.00 0.00 C ATOM 774 O THR A 67 3.402 -25.570 3.347 1.00 0.00 O ATOM 775 CB THR A 67 5.318 -23.307 5.139 1.00 0.00 C ATOM 776 OG1 THR A 67 4.724 -24.126 6.137 1.00 0.00 O ATOM 777 CG2 THR A 67 5.047 -21.835 5.457 1.00 0.00 C ATOM 778 OXT THR A 67 5.444 -25.897 3.951 1.00 0.00 O ATOM 0 H THR A 67 3.394 -22.233 2.895 1.00 0.00 H new ATOM 0 HA THR A 67 5.401 -23.338 2.986 1.00 0.00 H new ATOM 0 HB THR A 67 6.394 -23.479 5.119 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.766 -23.927 6.196 1.00 0.00 H new ATOM 0 HG21 THR A 67 5.474 -21.588 6.429 1.00 0.00 H new ATOM 0 HG22 THR A 67 5.502 -21.207 4.691 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.971 -21.659 5.478 1.00 0.00 H new TER 786 THR A 67