USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 177:sc= 1.61 (180deg=0.591) USER MOD Set 1.2: A 32 GLN : amide:sc= -2.19! C(o=-0.58!,f=-14!) USER MOD Single : A 1 LYS N :NH3+ 169:sc= 1.3 (180deg=1.26) USER MOD Single : A 1 LYS NZ :NH3+ -145:sc= 1.03 (180deg=0.199) USER MOD Single : A 4 TYR OH : rot 50:sc= 0.053 USER MOD Single : A 9 ASN : amide:sc= -0.0996 K(o=-0.1,f=-0.68) USER MOD Single : A 10 THR OG1 : rot 180:sc= 0.17 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 TYR OH : rot 60:sc= 1.28 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= 0.915 (180deg=0.639) USER MOD Single : A 22 ASN :FLIP amide:sc= -0.0427 F(o=-0.6,f=-0.043) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 TYR OH : rot 180:sc= -0.602 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 TYR OH : rot -101:sc= 1.04 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -67:sc= 0.955 USER MOD Single : A 50 HIS : no HE2:sc= 0.556 K(o=0.56,f=-2.7!) USER MOD Single : A 52 TYR OH : rot 165:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -0.304 X(o=-0.3,f=-0.73) USER MOD Single : A 62 ASN : amide:sc= 0.449 K(o=0.45,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ -147:sc= 1.93 (180deg=0.303) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.813 0.382 0.290 1.00 1.00 N ATOM 2 CA LYS A 1 -9.543 0.789 0.866 1.00 1.00 C ATOM 3 C LYS A 1 -8.607 1.256 -0.252 1.00 1.00 C ATOM 4 O LYS A 1 -7.555 0.661 -0.475 1.00 1.00 O ATOM 5 CB LYS A 1 -8.960 -0.332 1.727 1.00 1.00 C ATOM 6 CG LYS A 1 -8.036 0.230 2.810 1.00 1.00 C ATOM 7 CD LYS A 1 -7.647 -0.854 3.816 1.00 1.00 C ATOM 8 CE LYS A 1 -6.714 -0.294 4.892 1.00 1.00 C ATOM 9 NZ LYS A 1 -6.084 -1.394 5.655 1.00 1.00 N ATOM 0 H1 LYS A 1 -11.381 -0.106 1.012 1.00 1.00 H new ATOM 0 H2 LYS A 1 -11.327 1.222 -0.045 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.642 -0.261 -0.509 1.00 1.00 H new ATOM 0 HA LYS A 1 -9.684 1.635 1.539 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -9.769 -0.896 2.191 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -8.406 -1.028 1.097 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -7.138 0.642 2.349 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -8.534 1.050 3.328 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -8.544 -1.260 4.283 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -7.157 -1.678 3.297 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -5.944 0.323 4.429 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -7.275 0.351 5.568 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -5.968 -1.106 6.648 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -6.688 -2.240 5.608 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -5.152 -1.611 5.247 1.00 1.00 H new ATOM 25 N GLU A 2 -9.026 2.318 -0.926 1.00 1.00 N ATOM 26 CA GLU A 2 -8.507 2.616 -2.249 1.00 1.00 C ATOM 27 C GLU A 2 -7.326 3.584 -2.149 1.00 1.00 C ATOM 28 O GLU A 2 -7.236 4.364 -1.203 1.00 1.00 O ATOM 29 CB GLU A 2 -9.603 3.180 -3.155 1.00 1.00 C ATOM 30 CG GLU A 2 -10.900 2.381 -3.010 1.00 1.00 C ATOM 31 CD GLU A 2 -11.841 3.041 -2.001 1.00 1.00 C ATOM 32 OE1 GLU A 2 -11.672 2.755 -0.796 1.00 1.00 O ATOM 33 OE2 GLU A 2 -12.708 3.817 -2.457 1.00 1.00 O ATOM 0 H GLU A 2 -9.719 2.982 -0.580 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.154 1.687 -2.697 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -9.785 4.225 -2.904 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.270 3.155 -4.193 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -11.395 2.305 -3.978 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.671 1.365 -2.689 1.00 1.00 H new ATOM 40 N GLY A 3 -6.450 3.503 -3.140 1.00 1.00 N ATOM 41 CA GLY A 3 -5.458 4.543 -3.348 1.00 1.00 C ATOM 42 C GLY A 3 -4.470 4.147 -4.448 1.00 1.00 C ATOM 43 O GLY A 3 -4.761 3.272 -5.263 1.00 1.00 O ATOM 0 H GLY A 3 -6.407 2.733 -3.807 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -5.954 5.475 -3.618 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -4.919 4.727 -2.419 1.00 1.00 H new ATOM 47 N TYR A 4 -3.322 4.809 -4.436 1.00 1.00 N ATOM 48 CA TYR A 4 -2.270 4.501 -5.389 1.00 1.00 C ATOM 49 C TYR A 4 -1.391 3.355 -4.882 1.00 1.00 C ATOM 50 O TYR A 4 -0.650 3.519 -3.913 1.00 1.00 O ATOM 51 CB TYR A 4 -1.420 5.768 -5.505 1.00 1.00 C ATOM 52 CG TYR A 4 -2.094 6.900 -6.283 1.00 1.00 C ATOM 53 CD1 TYR A 4 -2.305 6.773 -7.641 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.492 8.047 -5.628 1.00 1.00 C ATOM 55 CE1 TYR A 4 -2.939 7.838 -8.375 1.00 1.00 C ATOM 56 CE2 TYR A 4 -3.126 9.112 -6.360 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.318 8.955 -7.698 1.00 1.00 C ATOM 58 OH TYR A 4 -3.917 9.961 -8.390 1.00 1.00 O ATOM 0 H TYR A 4 -3.098 5.558 -3.781 1.00 1.00 H new ATOM 0 HA TYR A 4 -2.695 4.195 -6.345 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.177 6.123 -4.504 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.477 5.518 -5.991 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -1.995 5.875 -8.154 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -2.328 8.146 -4.565 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -3.109 7.752 -9.438 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -3.442 10.015 -5.859 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.651 9.597 -8.927 1.00 1.00 H new ATOM 68 N LEU A 5 -1.501 2.222 -5.560 1.00 1.00 N ATOM 69 CA LEU A 5 -1.000 0.973 -5.014 1.00 1.00 C ATOM 70 C LEU A 5 0.498 1.106 -4.735 1.00 1.00 C ATOM 71 O LEU A 5 1.146 2.028 -5.230 1.00 1.00 O ATOM 72 CB LEU A 5 -1.352 -0.194 -5.939 1.00 1.00 C ATOM 73 CG LEU A 5 -0.294 -0.568 -6.980 1.00 1.00 C ATOM 74 CD1 LEU A 5 0.186 -2.007 -6.781 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.812 -0.326 -8.399 1.00 1.00 C ATOM 0 H LEU A 5 -1.930 2.143 -6.482 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.483 0.753 -4.062 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.554 -1.071 -5.324 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.277 0.049 -6.461 1.00 1.00 H new ATOM 0 HG LEU A 5 0.570 0.081 -6.838 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.937 -2.247 -7.533 1.00 1.00 H new ATOM 0 HD12 LEU A 5 0.622 -2.111 -5.787 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -0.658 -2.689 -6.880 1.00 1.00 H new ATOM 0 HD21 LEU A 5 -0.041 -0.600 -9.119 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.701 -0.933 -8.570 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -1.064 0.728 -8.520 1.00 1.00 H new ATOM 87 N VAL A 6 1.006 0.174 -3.943 1.00 1.00 N ATOM 88 CA VAL A 6 2.334 0.318 -3.371 1.00 1.00 C ATOM 89 C VAL A 6 3.189 -0.886 -3.769 1.00 1.00 C ATOM 90 O VAL A 6 2.682 -2.000 -3.888 1.00 1.00 O ATOM 91 CB VAL A 6 2.234 0.507 -1.856 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.533 -0.685 -1.201 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.615 0.736 -1.240 1.00 1.00 C ATOM 0 H VAL A 6 0.521 -0.685 -3.683 1.00 1.00 H new ATOM 0 HA VAL A 6 2.825 1.209 -3.764 1.00 1.00 H new ATOM 0 HB VAL A 6 1.632 1.396 -1.668 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.475 -0.526 -0.124 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.527 -0.784 -1.608 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.098 -1.595 -1.403 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.516 0.867 -0.163 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.251 -0.125 -1.443 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.064 1.629 -1.675 1.00 1.00 H new ATOM 103 N ASP A 7 4.473 -0.621 -3.964 1.00 1.00 N ATOM 104 CA ASP A 7 5.426 -1.687 -4.219 1.00 1.00 C ATOM 105 C ASP A 7 5.944 -2.233 -2.887 1.00 1.00 C ATOM 106 O ASP A 7 6.389 -1.471 -2.031 1.00 1.00 O ATOM 107 CB ASP A 7 6.627 -1.173 -5.017 1.00 1.00 C ATOM 108 CG ASP A 7 7.747 -2.193 -5.231 1.00 1.00 C ATOM 109 OD1 ASP A 7 8.539 -2.373 -4.281 1.00 1.00 O ATOM 110 OD2 ASP A 7 7.785 -2.770 -6.339 1.00 1.00 O ATOM 0 H ASP A 7 4.875 0.316 -3.950 1.00 1.00 H new ATOM 0 HA ASP A 7 4.917 -2.463 -4.791 1.00 1.00 H new ATOM 0 HB2 ASP A 7 6.277 -0.831 -5.991 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.040 -0.305 -4.504 1.00 1.00 H new ATOM 115 N LYS A 8 5.868 -3.549 -2.754 1.00 1.00 N ATOM 116 CA LYS A 8 6.014 -4.179 -1.453 1.00 1.00 C ATOM 117 C LYS A 8 7.467 -4.059 -0.992 1.00 1.00 C ATOM 118 O LYS A 8 7.756 -4.162 0.199 1.00 1.00 O ATOM 119 CB LYS A 8 5.497 -5.619 -1.494 1.00 1.00 C ATOM 120 CG LYS A 8 4.012 -5.680 -1.135 1.00 1.00 C ATOM 121 CD LYS A 8 3.556 -7.126 -0.927 1.00 1.00 C ATOM 122 CE LYS A 8 2.070 -7.285 -1.255 1.00 1.00 C ATOM 123 NZ LYS A 8 1.896 -7.839 -2.616 1.00 1.00 N ATOM 0 H LYS A 8 5.707 -4.196 -3.526 1.00 1.00 H new ATOM 0 HA LYS A 8 5.402 -3.666 -0.711 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.651 -6.036 -2.489 1.00 1.00 H new ATOM 0 HB3 LYS A 8 6.068 -6.234 -0.799 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.830 -5.104 -0.228 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.423 -5.220 -1.929 1.00 1.00 H new ATOM 0 HD2 LYS A 8 4.145 -7.791 -1.559 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.738 -7.423 0.106 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.599 -7.943 -0.525 1.00 1.00 H new ATOM 0 HE3 LYS A 8 1.570 -6.319 -1.183 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.884 -7.988 -2.803 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 2.283 -7.172 -3.314 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 2.399 -8.747 -2.688 1.00 1.00 H new ATOM 137 N ASN A 9 8.345 -3.846 -1.961 1.00 1.00 N ATOM 138 CA ASN A 9 9.772 -3.815 -1.686 1.00 1.00 C ATOM 139 C ASN A 9 10.182 -2.393 -1.298 1.00 1.00 C ATOM 140 O ASN A 9 10.438 -2.115 -0.127 1.00 1.00 O ATOM 141 CB ASN A 9 10.580 -4.221 -2.920 1.00 1.00 C ATOM 142 CG ASN A 9 11.130 -5.641 -2.773 1.00 1.00 C ATOM 143 OD1 ASN A 9 10.571 -6.483 -2.091 1.00 1.00 O ATOM 144 ND2 ASN A 9 12.253 -5.859 -3.451 1.00 1.00 N ATOM 0 H ASN A 9 8.096 -3.693 -2.938 1.00 1.00 H new ATOM 0 HA ASN A 9 9.974 -4.516 -0.876 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.950 -4.161 -3.807 1.00 1.00 H new ATOM 0 HB3 ASN A 9 11.403 -3.522 -3.066 1.00 1.00 H new ATOM 0 HD21 ASN A 9 12.698 -6.776 -3.419 1.00 1.00 H new ATOM 0 HD22 ASN A 9 12.669 -5.109 -4.003 1.00 1.00 H new ATOM 151 N THR A 10 10.232 -1.531 -2.302 1.00 1.00 N ATOM 152 CA THR A 10 10.810 -0.210 -2.127 1.00 1.00 C ATOM 153 C THR A 10 9.724 0.802 -1.750 1.00 1.00 C ATOM 154 O THR A 10 10.029 1.914 -1.321 1.00 1.00 O ATOM 155 CB THR A 10 11.559 0.153 -3.410 1.00 1.00 C ATOM 156 OG1 THR A 10 10.807 -0.481 -4.442 1.00 1.00 O ATOM 157 CG2 THR A 10 12.935 -0.510 -3.491 1.00 1.00 C ATOM 0 H THR A 10 9.881 -1.722 -3.241 1.00 1.00 H new ATOM 0 HA THR A 10 11.523 -0.197 -1.303 1.00 1.00 H new ATOM 0 HB THR A 10 11.673 1.235 -3.470 1.00 1.00 H new ATOM 0 HG1 THR A 10 11.222 -0.296 -5.310 1.00 1.00 H new ATOM 0 HG21 THR A 10 13.425 -0.220 -4.421 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.543 -0.190 -2.645 1.00 1.00 H new ATOM 0 HG23 THR A 10 12.819 -1.593 -3.465 1.00 1.00 H new ATOM 165 N GLY A 11 8.481 0.379 -1.924 1.00 1.00 N ATOM 166 CA GLY A 11 7.355 1.286 -1.776 1.00 1.00 C ATOM 167 C GLY A 11 7.582 2.575 -2.570 1.00 1.00 C ATOM 168 O GLY A 11 7.326 3.669 -2.070 1.00 1.00 O ATOM 0 H GLY A 11 8.228 -0.579 -2.166 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.443 0.798 -2.120 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.211 1.524 -0.722 1.00 1.00 H new ATOM 172 N CYS A 12 8.058 2.401 -3.794 1.00 1.00 N ATOM 173 CA CYS A 12 8.308 3.536 -4.666 1.00 1.00 C ATOM 174 C CYS A 12 7.156 3.637 -5.667 1.00 1.00 C ATOM 175 O CYS A 12 7.108 4.563 -6.474 1.00 1.00 O ATOM 176 CB CYS A 12 9.664 3.423 -5.367 1.00 1.00 C ATOM 177 SG CYS A 12 10.827 4.791 -5.016 1.00 1.00 S ATOM 0 H CYS A 12 8.277 1.492 -4.202 1.00 1.00 H new ATOM 0 HA CYS A 12 8.354 4.449 -4.073 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.132 2.483 -5.073 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.498 3.374 -6.443 1.00 1.00 H new ATOM 182 N LYS A 13 6.254 2.669 -5.582 1.00 1.00 N ATOM 183 CA LYS A 13 5.006 2.741 -6.321 1.00 1.00 C ATOM 184 C LYS A 13 5.287 2.537 -7.811 1.00 1.00 C ATOM 185 O LYS A 13 6.432 2.645 -8.251 1.00 1.00 O ATOM 186 CB LYS A 13 4.272 4.047 -6.008 1.00 1.00 C ATOM 187 CG LYS A 13 4.216 4.953 -7.240 1.00 1.00 C ATOM 188 CD LYS A 13 3.789 6.372 -6.858 1.00 1.00 C ATOM 189 CE LYS A 13 2.315 6.409 -6.450 1.00 1.00 C ATOM 190 NZ LYS A 13 1.874 7.805 -6.227 1.00 1.00 N ATOM 0 H LYS A 13 6.364 1.830 -5.012 1.00 1.00 H new ATOM 0 HA LYS A 13 4.334 1.941 -6.010 1.00 1.00 H new ATOM 0 HB2 LYS A 13 3.260 3.827 -5.668 1.00 1.00 H new ATOM 0 HB3 LYS A 13 4.777 4.566 -5.193 1.00 1.00 H new ATOM 0 HG2 LYS A 13 5.194 4.981 -7.720 1.00 1.00 H new ATOM 0 HG3 LYS A 13 3.515 4.542 -7.967 1.00 1.00 H new ATOM 0 HD2 LYS A 13 4.407 6.733 -6.036 1.00 1.00 H new ATOM 0 HD3 LYS A 13 3.954 7.045 -7.700 1.00 1.00 H new ATOM 0 HE2 LYS A 13 1.705 5.948 -7.227 1.00 1.00 H new ATOM 0 HE3 LYS A 13 2.168 5.825 -5.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 0.871 7.812 -5.951 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 2.445 8.233 -5.470 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 1.996 8.352 -7.103 1.00 1.00 H new ATOM 204 N TYR A 14 4.226 2.244 -8.548 1.00 1.00 N ATOM 205 CA TYR A 14 4.351 1.982 -9.971 1.00 1.00 C ATOM 206 C TYR A 14 3.712 3.103 -10.793 1.00 1.00 C ATOM 207 O TYR A 14 2.659 3.623 -10.428 1.00 1.00 O ATOM 208 CB TYR A 14 3.591 0.679 -10.228 1.00 1.00 C ATOM 209 CG TYR A 14 4.086 -0.506 -9.397 1.00 1.00 C ATOM 210 CD1 TYR A 14 5.245 -1.162 -9.755 1.00 1.00 C ATOM 211 CD2 TYR A 14 3.375 -0.916 -8.289 1.00 1.00 C ATOM 212 CE1 TYR A 14 5.712 -2.277 -8.973 1.00 1.00 C ATOM 213 CE2 TYR A 14 3.841 -2.031 -7.506 1.00 1.00 C ATOM 214 CZ TYR A 14 4.987 -2.657 -7.888 1.00 1.00 C ATOM 215 OH TYR A 14 5.429 -3.710 -7.148 1.00 1.00 O ATOM 0 H TYR A 14 3.275 2.182 -8.185 1.00 1.00 H new ATOM 0 HA TYR A 14 5.400 1.917 -10.259 1.00 1.00 H new ATOM 0 HB2 TYR A 14 2.534 0.840 -10.018 1.00 1.00 H new ATOM 0 HB3 TYR A 14 3.671 0.426 -11.285 1.00 1.00 H new ATOM 0 HD1 TYR A 14 5.802 -0.839 -10.622 1.00 1.00 H new ATOM 0 HD2 TYR A 14 2.468 -0.401 -8.008 1.00 1.00 H new ATOM 0 HE1 TYR A 14 6.618 -2.800 -9.242 1.00 1.00 H new ATOM 0 HE2 TYR A 14 3.294 -2.363 -6.636 1.00 1.00 H new ATOM 0 HH TYR A 14 6.319 -3.508 -6.790 1.00 1.00 H new ATOM 225 N GLU A 15 4.375 3.442 -11.889 1.00 1.00 N ATOM 226 CA GLU A 15 3.821 4.394 -12.835 1.00 1.00 C ATOM 227 C GLU A 15 3.019 3.665 -13.915 1.00 1.00 C ATOM 228 O GLU A 15 2.992 2.436 -13.949 1.00 1.00 O ATOM 229 CB GLU A 15 4.923 5.255 -13.457 1.00 1.00 C ATOM 230 CG GLU A 15 5.695 4.471 -14.521 1.00 1.00 C ATOM 231 CD GLU A 15 6.959 5.222 -14.943 1.00 1.00 C ATOM 232 OE1 GLU A 15 7.997 5.001 -14.283 1.00 1.00 O ATOM 233 OE2 GLU A 15 6.861 5.999 -15.917 1.00 1.00 O ATOM 0 H GLU A 15 5.292 3.074 -12.143 1.00 1.00 H new ATOM 0 HA GLU A 15 3.146 5.060 -12.297 1.00 1.00 H new ATOM 0 HB2 GLU A 15 4.484 6.147 -13.904 1.00 1.00 H new ATOM 0 HB3 GLU A 15 5.609 5.592 -12.680 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.964 3.489 -14.131 1.00 1.00 H new ATOM 0 HG3 GLU A 15 5.058 4.306 -15.390 1.00 1.00 H new ATOM 240 N CYS A 16 2.387 4.453 -14.772 1.00 1.00 N ATOM 241 CA CYS A 16 1.844 3.927 -16.014 1.00 1.00 C ATOM 242 C CYS A 16 1.962 5.011 -17.087 1.00 1.00 C ATOM 243 O CYS A 16 2.096 6.192 -16.770 1.00 1.00 O ATOM 244 CB CYS A 16 0.400 3.450 -15.842 1.00 1.00 C ATOM 245 SG CYS A 16 -0.700 4.628 -14.977 1.00 1.00 S ATOM 0 H CYS A 16 2.238 5.452 -14.631 1.00 1.00 H new ATOM 0 HA CYS A 16 2.414 3.050 -16.321 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.018 3.240 -16.827 1.00 1.00 H new ATOM 0 HB3 CYS A 16 0.406 2.509 -15.291 1.00 1.00 H new ATOM 250 N LEU A 17 1.911 4.570 -18.335 1.00 1.00 N ATOM 251 CA LEU A 17 2.456 5.355 -19.429 1.00 1.00 C ATOM 252 C LEU A 17 1.536 6.546 -19.706 1.00 1.00 C ATOM 253 O LEU A 17 1.958 7.697 -19.605 1.00 1.00 O ATOM 254 CB LEU A 17 2.702 4.470 -20.653 1.00 1.00 C ATOM 255 CG LEU A 17 3.694 3.322 -20.462 1.00 1.00 C ATOM 256 CD1 LEU A 17 3.626 2.337 -21.631 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.113 3.852 -20.240 1.00 1.00 C ATOM 0 H LEU A 17 1.500 3.679 -18.613 1.00 1.00 H new ATOM 0 HA LEU A 17 3.430 5.762 -19.157 1.00 1.00 H new ATOM 0 HB2 LEU A 17 1.748 4.050 -20.971 1.00 1.00 H new ATOM 0 HB3 LEU A 17 3.059 5.101 -21.467 1.00 1.00 H new ATOM 0 HG LEU A 17 3.411 2.774 -19.563 1.00 1.00 H new ATOM 0 HD11 LEU A 17 4.342 1.531 -21.470 1.00 1.00 H new ATOM 0 HD12 LEU A 17 2.621 1.922 -21.699 1.00 1.00 H new ATOM 0 HD13 LEU A 17 3.867 2.856 -22.559 1.00 1.00 H new ATOM 0 HD21 LEU A 17 5.798 3.014 -20.107 1.00 1.00 H new ATOM 0 HD22 LEU A 17 5.422 4.439 -21.105 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.132 4.480 -19.350 1.00 1.00 H new ATOM 269 N LYS A 18 0.297 6.227 -20.050 1.00 1.00 N ATOM 270 CA LYS A 18 -0.699 7.257 -20.295 1.00 1.00 C ATOM 271 C LYS A 18 -1.930 6.986 -19.428 1.00 1.00 C ATOM 272 O LYS A 18 -2.367 5.842 -19.304 1.00 1.00 O ATOM 273 CB LYS A 18 -1.009 7.356 -21.790 1.00 1.00 C ATOM 274 CG LYS A 18 0.258 7.170 -22.627 1.00 1.00 C ATOM 275 CD LYS A 18 -0.053 7.265 -24.122 1.00 1.00 C ATOM 276 CE LYS A 18 -1.055 6.187 -24.543 1.00 1.00 C ATOM 277 NZ LYS A 18 -0.628 4.861 -24.046 1.00 1.00 N ATOM 0 H LYS A 18 -0.040 5.271 -20.165 1.00 1.00 H new ATOM 0 HA LYS A 18 -0.315 8.236 -20.007 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -1.744 6.599 -22.063 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -1.454 8.326 -22.009 1.00 1.00 H new ATOM 0 HG2 LYS A 18 0.992 7.929 -22.356 1.00 1.00 H new ATOM 0 HG3 LYS A 18 0.705 6.201 -22.406 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.457 8.251 -24.351 1.00 1.00 H new ATOM 0 HD3 LYS A 18 0.867 7.156 -24.696 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.043 6.428 -24.151 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.139 6.165 -25.630 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.251 4.126 -24.438 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.352 4.678 -24.342 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -0.684 4.845 -23.008 1.00 1.00 H new ATOM 291 N LEU A 19 -2.454 8.055 -18.850 1.00 1.00 N ATOM 292 CA LEU A 19 -3.699 7.970 -18.104 1.00 1.00 C ATOM 293 C LEU A 19 -4.797 7.415 -19.015 1.00 1.00 C ATOM 294 O LEU A 19 -5.000 7.910 -20.122 1.00 1.00 O ATOM 295 CB LEU A 19 -4.044 9.323 -17.480 1.00 1.00 C ATOM 296 CG LEU A 19 -4.117 10.508 -18.446 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.537 11.075 -18.511 1.00 1.00 C ATOM 298 CD2 LEU A 19 -3.089 11.579 -18.078 1.00 1.00 C ATOM 0 H LEU A 19 -2.040 8.986 -18.883 1.00 1.00 H new ATOM 0 HA LEU A 19 -3.596 7.277 -17.269 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -5.005 9.233 -16.974 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -3.301 9.548 -16.715 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.866 10.151 -19.445 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.562 11.916 -19.204 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -6.223 10.301 -18.855 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.840 11.413 -17.520 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.162 12.410 -18.780 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.284 11.939 -17.068 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -2.087 11.152 -18.124 1.00 1.00 H new ATOM 310 N GLY A 20 -5.475 6.393 -18.514 1.00 1.00 N ATOM 311 CA GLY A 20 -6.449 5.675 -19.320 1.00 1.00 C ATOM 312 C GLY A 20 -5.981 4.246 -19.603 1.00 1.00 C ATOM 313 O GLY A 20 -6.798 3.356 -19.836 1.00 1.00 O ATOM 0 H GLY A 20 -5.370 6.045 -17.561 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.408 5.651 -18.802 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.607 6.202 -20.261 1.00 1.00 H new ATOM 317 N ASP A 21 -4.668 4.071 -19.574 1.00 1.00 N ATOM 318 CA ASP A 21 -4.078 2.779 -19.877 1.00 1.00 C ATOM 319 C ASP A 21 -4.286 1.837 -18.688 1.00 1.00 C ATOM 320 O ASP A 21 -3.337 1.512 -17.976 1.00 1.00 O ATOM 321 CB ASP A 21 -2.573 2.904 -20.123 1.00 1.00 C ATOM 322 CG ASP A 21 -2.186 3.721 -21.357 1.00 1.00 C ATOM 323 OD1 ASP A 21 -3.075 3.910 -22.215 1.00 1.00 O ATOM 324 OD2 ASP A 21 -1.009 4.136 -21.415 1.00 1.00 O ATOM 0 H ASP A 21 -3.996 4.803 -19.345 1.00 1.00 H new ATOM 0 HA ASP A 21 -4.559 2.391 -20.775 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.113 3.359 -19.246 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -2.152 1.904 -20.221 1.00 1.00 H new ATOM 329 N ASN A 22 -5.533 1.425 -18.512 1.00 1.00 N ATOM 330 CA ASN A 22 -5.930 0.742 -17.293 1.00 1.00 C ATOM 331 C ASN A 22 -5.770 -0.767 -17.485 1.00 1.00 C ATOM 332 O ASN A 22 -6.614 -1.545 -17.042 1.00 1.00 O ATOM 333 CB ASN A 22 -7.395 1.023 -16.955 1.00 1.00 C ATOM 334 CG ASN A 22 -8.311 0.624 -18.113 1.00 1.00 C ATOM 335 OD1 ASN A 22 -8.834 -0.593 -17.995 1.00 1.00 O flip ATOM 336 ND2 ASN A 22 -8.529 1.371 -19.053 1.00 1.00 N flip ATOM 0 H ASN A 22 -6.281 1.551 -19.193 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.298 1.105 -16.482 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.677 0.473 -16.057 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.524 2.082 -16.733 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -8.095 2.294 -19.082 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -9.145 1.073 -19.809 1.00 1.00 H new ATOM 343 N ASP A 23 -4.682 -1.136 -18.144 1.00 1.00 N ATOM 344 CA ASP A 23 -4.452 -2.529 -18.489 1.00 1.00 C ATOM 345 C ASP A 23 -3.371 -3.104 -17.573 1.00 1.00 C ATOM 346 O ASP A 23 -3.600 -4.095 -16.881 1.00 1.00 O ATOM 347 CB ASP A 23 -3.969 -2.666 -19.934 1.00 1.00 C ATOM 348 CG ASP A 23 -3.347 -4.019 -20.283 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.089 -5.022 -20.203 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.143 -4.021 -20.619 1.00 1.00 O ATOM 0 H ASP A 23 -3.950 -0.495 -18.448 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.393 -3.066 -18.371 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.812 -2.488 -20.601 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.236 -1.884 -20.132 1.00 1.00 H new ATOM 355 N TYR A 24 -2.215 -2.459 -17.597 1.00 1.00 N ATOM 356 CA TYR A 24 -1.116 -2.859 -16.734 1.00 1.00 C ATOM 357 C TYR A 24 -1.488 -2.696 -15.259 1.00 1.00 C ATOM 358 O TYR A 24 -1.120 -3.525 -14.428 1.00 1.00 O ATOM 359 CB TYR A 24 0.043 -1.915 -17.061 1.00 1.00 C ATOM 360 CG TYR A 24 0.543 -2.019 -18.504 1.00 1.00 C ATOM 361 CD1 TYR A 24 1.261 -3.126 -18.907 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.273 -1.006 -19.403 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.731 -3.224 -20.264 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.744 -1.104 -20.760 1.00 1.00 C ATOM 365 CZ TYR A 24 1.449 -2.209 -21.124 1.00 1.00 C ATOM 366 OH TYR A 24 1.893 -2.301 -22.406 1.00 1.00 O ATOM 0 H TYR A 24 -2.015 -1.662 -18.201 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.862 -3.906 -16.898 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.272 -0.889 -16.870 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.871 -2.125 -16.384 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.470 -3.919 -18.204 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.291 -0.141 -19.088 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.295 -4.085 -20.592 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.542 -0.318 -21.473 1.00 1.00 H new ATOM 0 HH TYR A 24 1.617 -1.505 -22.906 1.00 1.00 H new ATOM 376 N CYS A 25 -2.214 -1.624 -14.980 1.00 1.00 N ATOM 377 CA CYS A 25 -2.547 -1.282 -13.607 1.00 1.00 C ATOM 378 C CYS A 25 -3.465 -2.373 -13.050 1.00 1.00 C ATOM 379 O CYS A 25 -3.315 -2.788 -11.903 1.00 1.00 O ATOM 380 CB CYS A 25 -3.183 0.105 -13.508 1.00 1.00 C ATOM 381 SG CYS A 25 -2.064 1.494 -13.916 1.00 1.00 S ATOM 0 H CYS A 25 -2.581 -0.980 -15.681 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.636 -1.235 -13.010 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -4.044 0.143 -14.175 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.559 0.245 -12.494 1.00 1.00 H new ATOM 386 N LEU A 26 -4.396 -2.804 -13.889 1.00 1.00 N ATOM 387 CA LEU A 26 -5.300 -3.877 -13.515 1.00 1.00 C ATOM 388 C LEU A 26 -4.498 -5.157 -13.280 1.00 1.00 C ATOM 389 O LEU A 26 -4.549 -5.737 -12.196 1.00 1.00 O ATOM 390 CB LEU A 26 -6.410 -4.029 -14.558 1.00 1.00 C ATOM 391 CG LEU A 26 -7.844 -3.933 -14.032 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.723 -3.119 -14.982 1.00 1.00 C ATOM 393 CD2 LEU A 26 -8.423 -5.323 -13.763 1.00 1.00 C ATOM 0 H LEU A 26 -4.543 -2.429 -14.826 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.804 -3.641 -12.578 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.272 -3.262 -15.321 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -6.289 -4.994 -15.050 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.824 -3.403 -13.080 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.737 -3.066 -14.585 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.318 -2.112 -15.079 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.742 -3.598 -15.961 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -9.443 -5.226 -13.390 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -8.428 -5.900 -14.688 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.812 -5.834 -13.019 1.00 1.00 H new ATOM 405 N ARG A 27 -3.774 -5.563 -14.313 1.00 1.00 N ATOM 406 CA ARG A 27 -3.060 -6.827 -14.277 1.00 1.00 C ATOM 407 C ARG A 27 -2.143 -6.885 -13.053 1.00 1.00 C ATOM 408 O ARG A 27 -2.019 -7.928 -12.414 1.00 1.00 O ATOM 409 CB ARG A 27 -2.224 -7.025 -15.543 1.00 1.00 C ATOM 410 CG ARG A 27 -2.850 -8.082 -16.455 1.00 1.00 C ATOM 411 CD ARG A 27 -1.788 -8.746 -17.333 1.00 1.00 C ATOM 412 NE ARG A 27 -0.982 -7.713 -18.021 1.00 1.00 N ATOM 413 CZ ARG A 27 -1.440 -6.940 -19.014 1.00 1.00 C ATOM 414 NH1 ARG A 27 -2.656 -7.163 -19.529 1.00 1.00 N ATOM 415 NH2 ARG A 27 -0.681 -5.944 -19.493 1.00 1.00 N ATOM 0 H ARG A 27 -3.667 -5.038 -15.181 1.00 1.00 H new ATOM 0 HA ARG A 27 -3.801 -7.624 -14.217 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -2.141 -6.080 -16.080 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -1.213 -7.327 -15.271 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -3.352 -8.838 -15.851 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -3.611 -7.620 -17.084 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.142 -9.376 -16.722 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -2.265 -9.395 -18.067 1.00 1.00 H new ATOM 0 HE ARG A 27 -0.016 -7.581 -17.720 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -3.233 -7.921 -19.165 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -3.005 -6.574 -20.285 1.00 1.00 H new ATOM 0 HH21 ARG A 27 0.245 -5.775 -19.101 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -1.030 -5.355 -20.249 1.00 1.00 H new ATOM 429 N GLU A 28 -1.523 -5.750 -12.765 1.00 1.00 N ATOM 430 CA GLU A 28 -0.574 -5.674 -11.668 1.00 1.00 C ATOM 431 C GLU A 28 -1.276 -5.959 -10.338 1.00 1.00 C ATOM 432 O GLU A 28 -0.918 -6.902 -9.634 1.00 1.00 O ATOM 433 CB GLU A 28 0.122 -4.311 -11.638 1.00 1.00 C ATOM 434 CG GLU A 28 1.342 -4.338 -10.716 1.00 1.00 C ATOM 435 CD GLU A 28 2.110 -3.017 -10.783 1.00 1.00 C ATOM 436 OE1 GLU A 28 1.493 -1.985 -10.439 1.00 1.00 O ATOM 437 OE2 GLU A 28 3.295 -3.068 -11.176 1.00 1.00 O ATOM 0 H GLU A 28 -1.660 -4.876 -13.272 1.00 1.00 H new ATOM 0 HA GLU A 28 0.192 -6.434 -11.823 1.00 1.00 H new ATOM 0 HB2 GLU A 28 0.430 -4.034 -12.646 1.00 1.00 H new ATOM 0 HB3 GLU A 28 -0.579 -3.548 -11.298 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.023 -4.526 -9.691 1.00 1.00 H new ATOM 0 HG3 GLU A 28 1.999 -5.160 -11.001 1.00 1.00 H new ATOM 444 N CYS A 29 -2.263 -5.129 -10.036 1.00 1.00 N ATOM 445 CA CYS A 29 -2.965 -5.231 -8.768 1.00 1.00 C ATOM 446 C CYS A 29 -3.645 -6.601 -8.706 1.00 1.00 C ATOM 447 O CYS A 29 -3.865 -7.139 -7.622 1.00 1.00 O ATOM 448 CB CYS A 29 -3.965 -4.089 -8.581 1.00 1.00 C ATOM 449 SG CYS A 29 -3.421 -2.774 -7.430 1.00 1.00 S ATOM 0 H CYS A 29 -2.593 -4.383 -10.648 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.254 -5.141 -7.947 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.169 -3.640 -9.553 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -4.905 -4.504 -8.218 1.00 1.00 H new ATOM 454 N LYS A 30 -3.958 -7.124 -9.882 1.00 1.00 N ATOM 455 CA LYS A 30 -4.574 -8.437 -9.976 1.00 1.00 C ATOM 456 C LYS A 30 -3.590 -9.495 -9.473 1.00 1.00 C ATOM 457 O LYS A 30 -3.919 -10.282 -8.588 1.00 1.00 O ATOM 458 CB LYS A 30 -5.076 -8.692 -11.400 1.00 1.00 C ATOM 459 CG LYS A 30 -6.162 -9.770 -11.412 1.00 1.00 C ATOM 460 CD LYS A 30 -6.810 -9.878 -12.794 1.00 1.00 C ATOM 461 CE LYS A 30 -7.927 -10.923 -12.796 1.00 1.00 C ATOM 462 NZ LYS A 30 -8.575 -10.987 -14.125 1.00 1.00 N ATOM 0 H LYS A 30 -3.797 -6.663 -10.777 1.00 1.00 H new ATOM 0 HA LYS A 30 -5.455 -8.491 -9.337 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -5.471 -7.768 -11.821 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -4.244 -9.001 -12.033 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.729 -10.731 -11.133 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -6.922 -9.534 -10.667 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.213 -8.909 -13.087 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.055 -10.146 -13.533 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -7.519 -11.900 -12.536 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -8.667 -10.674 -12.036 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.331 -11.701 -14.109 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -8.981 -10.058 -14.358 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -7.869 -11.246 -14.843 1.00 1.00 H new ATOM 476 N GLN A 31 -2.401 -9.477 -10.058 1.00 1.00 N ATOM 477 CA GLN A 31 -1.391 -10.468 -9.728 1.00 1.00 C ATOM 478 C GLN A 31 -0.282 -9.836 -8.885 1.00 1.00 C ATOM 479 O GLN A 31 0.899 -9.978 -9.199 1.00 1.00 O ATOM 480 CB GLN A 31 -0.818 -11.109 -10.995 1.00 1.00 C ATOM 481 CG GLN A 31 -1.930 -11.719 -11.850 1.00 1.00 C ATOM 482 CD GLN A 31 -1.348 -12.477 -13.045 1.00 1.00 C ATOM 483 OE1 GLN A 31 -1.311 -13.697 -13.083 1.00 1.00 O ATOM 484 NE2 GLN A 31 -0.897 -11.690 -14.018 1.00 1.00 N ATOM 0 H GLN A 31 -2.115 -8.792 -10.758 1.00 1.00 H new ATOM 0 HA GLN A 31 -1.862 -11.257 -9.141 1.00 1.00 H new ATOM 0 HB2 GLN A 31 -0.278 -10.360 -11.574 1.00 1.00 H new ATOM 0 HB3 GLN A 31 -0.098 -11.881 -10.723 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -2.531 -12.396 -11.243 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -2.596 -10.932 -12.203 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -0.958 -10.676 -13.923 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -0.490 -12.100 -14.859 1.00 1.00 H new ATOM 493 N GLN A 32 -0.701 -9.152 -7.830 1.00 1.00 N ATOM 494 CA GLN A 32 0.230 -8.707 -6.808 1.00 1.00 C ATOM 495 C GLN A 32 -0.529 -8.234 -5.567 1.00 1.00 C ATOM 496 O GLN A 32 -0.053 -8.392 -4.445 1.00 1.00 O ATOM 497 CB GLN A 32 1.146 -7.605 -7.344 1.00 1.00 C ATOM 498 CG GLN A 32 0.680 -6.226 -6.872 1.00 1.00 C ATOM 499 CD GLN A 32 1.187 -5.931 -5.458 1.00 1.00 C ATOM 500 OE1 GLN A 32 2.019 -6.635 -4.910 1.00 1.00 O ATOM 501 NE2 GLN A 32 0.640 -4.854 -4.902 1.00 1.00 N ATOM 0 H GLN A 32 -1.674 -8.895 -7.661 1.00 1.00 H new ATOM 0 HA GLN A 32 0.859 -9.551 -6.525 1.00 1.00 H new ATOM 0 HB2 GLN A 32 2.168 -7.782 -7.009 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.158 -7.635 -8.434 1.00 1.00 H new ATOM 0 HG2 GLN A 32 1.042 -5.461 -7.559 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.409 -6.181 -6.889 1.00 1.00 H new ATOM 0 HE21 GLN A 32 -0.051 -4.309 -5.418 1.00 1.00 H new ATOM 0 HE22 GLN A 32 0.912 -4.573 -3.960 1.00 1.00 H new ATOM 510 N TYR A 33 -1.699 -7.661 -5.812 1.00 1.00 N ATOM 511 CA TYR A 33 -2.603 -7.312 -4.729 1.00 1.00 C ATOM 512 C TYR A 33 -3.940 -8.041 -4.873 1.00 1.00 C ATOM 513 O TYR A 33 -4.985 -7.504 -4.512 1.00 1.00 O ATOM 514 CB TYR A 33 -2.840 -5.806 -4.845 1.00 1.00 C ATOM 515 CG TYR A 33 -2.449 -5.014 -3.596 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.607 -5.577 -2.346 1.00 1.00 C ATOM 517 CD2 TYR A 33 -1.937 -3.739 -3.719 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.238 -4.833 -1.170 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.568 -2.995 -2.543 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.737 -3.578 -1.325 1.00 1.00 C ATOM 521 OH TYR A 33 -1.389 -2.875 -0.215 1.00 1.00 O ATOM 0 H TYR A 33 -2.041 -7.430 -6.745 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.175 -7.594 -3.767 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -2.275 -5.425 -5.696 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -3.894 -5.630 -5.058 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.007 -6.575 -2.250 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -1.813 -3.299 -4.697 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -2.356 -5.262 -0.186 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.166 -1.996 -2.626 1.00 1.00 H new ATOM 0 HH TYR A 33 -1.046 -1.996 -0.479 1.00 1.00 H new ATOM 531 N GLY A 34 -3.863 -9.253 -5.405 1.00 1.00 N ATOM 532 CA GLY A 34 -4.966 -10.191 -5.288 1.00 1.00 C ATOM 533 C GLY A 34 -5.819 -10.194 -6.559 1.00 1.00 C ATOM 534 O GLY A 34 -6.123 -9.137 -7.110 1.00 1.00 O ATOM 0 H GLY A 34 -3.055 -9.606 -5.917 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.578 -11.193 -5.103 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.585 -9.926 -4.431 1.00 1.00 H new ATOM 538 N LYS A 35 -6.183 -11.394 -6.987 1.00 1.00 N ATOM 539 CA LYS A 35 -6.770 -11.574 -8.304 1.00 1.00 C ATOM 540 C LYS A 35 -8.249 -11.185 -8.256 1.00 1.00 C ATOM 541 O LYS A 35 -9.123 -12.044 -8.352 1.00 1.00 O ATOM 542 CB LYS A 35 -6.524 -12.995 -8.812 1.00 1.00 C ATOM 543 CG LYS A 35 -5.036 -13.232 -9.081 1.00 1.00 C ATOM 544 CD LYS A 35 -4.779 -14.679 -9.507 1.00 1.00 C ATOM 545 CE LYS A 35 -4.579 -15.582 -8.289 1.00 1.00 C ATOM 546 NZ LYS A 35 -3.190 -15.476 -7.788 1.00 1.00 N ATOM 0 H LYS A 35 -6.083 -12.252 -6.444 1.00 1.00 H new ATOM 0 HA LYS A 35 -6.290 -10.915 -9.028 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.883 -13.715 -8.077 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -7.093 -13.162 -9.726 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -4.691 -12.553 -9.861 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.460 -13.006 -8.184 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -5.619 -15.042 -10.099 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -3.896 -14.723 -10.145 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -5.278 -15.301 -7.502 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -4.798 -16.616 -8.556 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -3.071 -16.095 -6.961 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -2.528 -15.766 -8.536 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -2.994 -14.492 -7.515 1.00 1.00 H new ATOM 560 N GLY A 36 -8.482 -9.889 -8.105 1.00 1.00 N ATOM 561 CA GLY A 36 -9.804 -9.334 -8.350 1.00 1.00 C ATOM 562 C GLY A 36 -9.760 -7.805 -8.368 1.00 1.00 C ATOM 563 O GLY A 36 -10.356 -7.154 -7.511 1.00 1.00 O ATOM 0 H GLY A 36 -7.779 -9.208 -7.817 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -10.186 -9.702 -9.302 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -10.494 -9.673 -7.577 1.00 1.00 H new ATOM 567 N ALA A 37 -9.049 -7.276 -9.352 1.00 1.00 N ATOM 568 CA ALA A 37 -8.710 -5.863 -9.355 1.00 1.00 C ATOM 569 C ALA A 37 -9.651 -5.120 -10.306 1.00 1.00 C ATOM 570 O ALA A 37 -10.104 -5.682 -11.302 1.00 1.00 O ATOM 571 CB ALA A 37 -7.239 -5.692 -9.738 1.00 1.00 C ATOM 0 H ALA A 37 -8.698 -7.800 -10.153 1.00 1.00 H new ATOM 0 HA ALA A 37 -8.840 -5.434 -8.361 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -6.984 -4.632 -9.740 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -6.612 -6.214 -9.015 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.071 -6.108 -10.732 1.00 1.00 H new ATOM 577 N GLY A 38 -9.915 -3.867 -9.966 1.00 1.00 N ATOM 578 CA GLY A 38 -10.543 -2.953 -10.906 1.00 1.00 C ATOM 579 C GLY A 38 -9.673 -1.715 -11.130 1.00 1.00 C ATOM 580 O GLY A 38 -10.036 -0.828 -11.902 1.00 1.00 O ATOM 0 H GLY A 38 -9.706 -3.463 -9.053 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -10.711 -3.461 -11.856 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -11.520 -2.652 -10.529 1.00 1.00 H new ATOM 584 N GLY A 39 -8.543 -1.692 -10.440 1.00 1.00 N ATOM 585 CA GLY A 39 -7.654 -0.544 -10.497 1.00 1.00 C ATOM 586 C GLY A 39 -7.381 -0.133 -11.945 1.00 1.00 C ATOM 587 O GLY A 39 -7.649 -0.897 -12.872 1.00 1.00 O ATOM 0 H GLY A 39 -8.222 -2.450 -9.838 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.098 0.291 -9.956 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.714 -0.783 -10.000 1.00 1.00 H new ATOM 591 N TYR A 40 -6.852 1.072 -12.095 1.00 1.00 N ATOM 592 CA TYR A 40 -6.679 1.655 -13.416 1.00 1.00 C ATOM 593 C TYR A 40 -5.553 2.691 -13.415 1.00 1.00 C ATOM 594 O TYR A 40 -4.910 2.913 -12.390 1.00 1.00 O ATOM 595 CB TYR A 40 -8.000 2.355 -13.743 1.00 1.00 C ATOM 596 CG TYR A 40 -8.521 3.257 -12.622 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.056 4.551 -12.505 1.00 1.00 C ATOM 598 CD2 TYR A 40 -9.456 2.776 -11.728 1.00 1.00 C ATOM 599 CE1 TYR A 40 -8.546 5.399 -11.450 1.00 1.00 C ATOM 600 CE2 TYR A 40 -9.947 3.625 -10.673 1.00 1.00 C ATOM 601 CZ TYR A 40 -9.467 4.895 -10.587 1.00 1.00 C ATOM 602 OH TYR A 40 -9.931 5.696 -9.590 1.00 1.00 O ATOM 0 H TYR A 40 -6.537 1.661 -11.324 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.421 0.886 -14.145 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -7.869 2.953 -14.645 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -8.753 1.600 -13.968 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.325 4.927 -13.205 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -9.819 1.763 -11.819 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -8.190 6.413 -11.347 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -10.679 3.262 -9.967 1.00 1.00 H new ATOM 0 HH TYR A 40 -9.474 5.473 -8.752 1.00 1.00 H new ATOM 612 N CYS A 41 -5.349 3.297 -14.575 1.00 1.00 N ATOM 613 CA CYS A 41 -4.253 4.235 -14.746 1.00 1.00 C ATOM 614 C CYS A 41 -4.818 5.654 -14.664 1.00 1.00 C ATOM 615 O CYS A 41 -5.528 6.098 -15.565 1.00 1.00 O ATOM 616 CB CYS A 41 -3.504 3.995 -16.058 1.00 1.00 C ATOM 617 SG CYS A 41 -2.086 5.116 -16.348 1.00 1.00 S ATOM 0 H CYS A 41 -5.924 3.157 -15.406 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.520 4.090 -13.953 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -3.145 2.966 -16.072 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -4.206 4.099 -16.885 1.00 1.00 H new ATOM 622 N TYR A 42 -4.482 6.328 -13.573 1.00 1.00 N ATOM 623 CA TYR A 42 -4.713 7.760 -13.477 1.00 1.00 C ATOM 624 C TYR A 42 -3.577 8.543 -14.139 1.00 1.00 C ATOM 625 O TYR A 42 -2.827 7.994 -14.945 1.00 1.00 O ATOM 626 CB TYR A 42 -4.735 8.084 -11.983 1.00 1.00 C ATOM 627 CG TYR A 42 -6.040 8.726 -11.505 1.00 1.00 C ATOM 628 CD1 TYR A 42 -6.693 9.640 -12.306 1.00 1.00 C ATOM 629 CD2 TYR A 42 -6.562 8.392 -10.271 1.00 1.00 C ATOM 630 CE1 TYR A 42 -7.920 10.244 -11.857 1.00 1.00 C ATOM 631 CE2 TYR A 42 -7.789 8.996 -9.823 1.00 1.00 C ATOM 632 CZ TYR A 42 -8.407 9.892 -10.637 1.00 1.00 C ATOM 633 OH TYR A 42 -9.566 10.464 -10.212 1.00 1.00 O ATOM 0 H TYR A 42 -4.052 5.909 -12.748 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.642 8.034 -13.978 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -4.566 7.166 -11.420 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -3.907 8.755 -11.755 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.283 9.902 -13.270 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -6.050 7.678 -9.643 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -8.442 10.960 -12.475 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -8.210 8.743 -8.861 1.00 1.00 H new ATOM 0 HH TYR A 42 -9.795 10.118 -9.324 1.00 1.00 H new ATOM 643 N ALA A 43 -3.488 9.814 -13.776 1.00 1.00 N ATOM 644 CA ALA A 43 -2.344 10.623 -14.161 1.00 1.00 C ATOM 645 C ALA A 43 -1.055 9.902 -13.760 1.00 1.00 C ATOM 646 O ALA A 43 -0.504 10.158 -12.691 1.00 1.00 O ATOM 647 CB ALA A 43 -2.461 12.009 -13.522 1.00 1.00 C ATOM 0 H ALA A 43 -4.189 10.303 -13.220 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.319 10.763 -15.242 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -1.603 12.616 -13.810 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.378 12.491 -13.863 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -2.486 11.908 -12.437 1.00 1.00 H new ATOM 653 N PHE A 44 -0.614 9.015 -14.639 1.00 1.00 N ATOM 654 CA PHE A 44 0.725 8.459 -14.533 1.00 1.00 C ATOM 655 C PHE A 44 0.954 7.842 -13.152 1.00 1.00 C ATOM 656 O PHE A 44 2.044 7.951 -12.592 1.00 1.00 O ATOM 657 CB PHE A 44 1.706 9.616 -14.730 1.00 1.00 C ATOM 658 CG PHE A 44 1.382 10.510 -15.928 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.450 10.008 -17.190 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.023 11.808 -15.731 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.148 10.838 -18.302 1.00 1.00 C ATOM 662 CE2 PHE A 44 0.722 12.638 -16.843 1.00 1.00 C ATOM 663 CZ PHE A 44 0.790 12.135 -18.105 1.00 1.00 C ATOM 0 H PHE A 44 -1.159 8.667 -15.428 1.00 1.00 H new ATOM 0 HA PHE A 44 0.863 7.676 -15.279 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.718 10.226 -13.827 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.710 9.210 -14.854 1.00 1.00 H new ATOM 0 HD1 PHE A 44 1.734 8.978 -17.347 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.967 12.207 -14.729 1.00 1.00 H new ATOM 0 HE1 PHE A 44 1.203 10.439 -19.304 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.439 13.669 -16.687 1.00 1.00 H new ATOM 0 HZ PHE A 44 0.560 12.766 -18.951 1.00 1.00 H new ATOM 673 N ALA A 45 -0.091 7.206 -12.643 1.00 1.00 N ATOM 674 CA ALA A 45 0.053 6.329 -11.492 1.00 1.00 C ATOM 675 C ALA A 45 -1.153 5.391 -11.417 1.00 1.00 C ATOM 676 O ALA A 45 -2.236 5.727 -11.893 1.00 1.00 O ATOM 677 CB ALA A 45 0.217 7.172 -10.225 1.00 1.00 C ATOM 0 H ALA A 45 -1.041 7.280 -13.006 1.00 1.00 H new ATOM 0 HA ALA A 45 0.945 5.711 -11.590 1.00 1.00 H new ATOM 0 HB1 ALA A 45 0.325 6.515 -9.362 1.00 1.00 H new ATOM 0 HB2 ALA A 45 1.104 7.799 -10.317 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -0.661 7.804 -10.092 1.00 1.00 H new ATOM 683 N CYS A 46 -0.924 4.233 -10.815 1.00 1.00 N ATOM 684 CA CYS A 46 -1.925 3.179 -10.816 1.00 1.00 C ATOM 685 C CYS A 46 -2.748 3.297 -9.532 1.00 1.00 C ATOM 686 O CYS A 46 -2.218 3.136 -8.433 1.00 1.00 O ATOM 687 CB CYS A 46 -1.288 1.795 -10.960 1.00 1.00 C ATOM 688 SG CYS A 46 -0.560 1.453 -12.605 1.00 1.00 S ATOM 0 H CYS A 46 -0.061 4.001 -10.324 1.00 1.00 H new ATOM 0 HA CYS A 46 -2.581 3.297 -11.679 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.510 1.688 -10.204 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.044 1.039 -10.748 1.00 1.00 H new ATOM 693 N TRP A 47 -4.030 3.577 -9.712 1.00 1.00 N ATOM 694 CA TRP A 47 -4.935 3.707 -8.582 1.00 1.00 C ATOM 695 C TRP A 47 -5.799 2.446 -8.522 1.00 1.00 C ATOM 696 O TRP A 47 -6.456 2.092 -9.500 1.00 1.00 O ATOM 697 CB TRP A 47 -5.757 4.992 -8.683 1.00 1.00 C ATOM 698 CG TRP A 47 -6.874 5.099 -7.643 1.00 1.00 C ATOM 699 CD1 TRP A 47 -7.985 4.357 -7.546 1.00 1.00 C ATOM 700 CD2 TRP A 47 -6.943 6.038 -6.549 1.00 1.00 C ATOM 701 NE1 TRP A 47 -8.762 4.746 -6.474 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.108 5.802 -5.848 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.050 7.053 -6.164 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -8.488 6.539 -4.720 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -6.444 7.781 -5.035 1.00 1.00 C ATOM 706 CH2 TRP A 47 -7.613 7.556 -4.318 1.00 1.00 C ATOM 0 H TRP A 47 -4.464 3.718 -10.624 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.378 3.792 -7.649 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.090 5.847 -8.574 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.195 5.054 -9.679 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.241 3.555 -8.222 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.652 4.335 -6.193 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -5.133 7.255 -6.697 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.406 6.334 -4.189 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -5.793 8.574 -4.697 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -7.846 8.162 -3.455 1.00 1.00 H new ATOM 717 N CYS A 48 -5.772 1.803 -7.364 1.00 1.00 N ATOM 718 CA CYS A 48 -6.405 0.504 -7.213 1.00 1.00 C ATOM 719 C CYS A 48 -7.526 0.633 -6.180 1.00 1.00 C ATOM 720 O CYS A 48 -7.416 1.411 -5.234 1.00 1.00 O ATOM 721 CB CYS A 48 -5.394 -0.578 -6.827 1.00 1.00 C ATOM 722 SG CYS A 48 -4.252 -1.074 -8.168 1.00 1.00 S ATOM 0 H CYS A 48 -5.321 2.158 -6.521 1.00 1.00 H new ATOM 0 HA CYS A 48 -6.826 0.189 -8.168 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -4.806 -0.221 -5.981 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -5.938 -1.459 -6.487 1.00 1.00 H new ATOM 727 N THR A 49 -8.579 -0.143 -6.396 1.00 1.00 N ATOM 728 CA THR A 49 -9.866 0.161 -5.796 1.00 1.00 C ATOM 729 C THR A 49 -10.699 -1.114 -5.647 1.00 1.00 C ATOM 730 O THR A 49 -11.923 -1.077 -5.763 1.00 1.00 O ATOM 731 CB THR A 49 -10.545 1.233 -6.651 1.00 1.00 C ATOM 732 OG1 THR A 49 -11.895 1.237 -6.196 1.00 1.00 O ATOM 733 CG2 THR A 49 -10.648 0.830 -8.122 1.00 1.00 C ATOM 0 H THR A 49 -8.566 -0.981 -6.978 1.00 1.00 H new ATOM 0 HA THR A 49 -9.748 0.556 -4.787 1.00 1.00 H new ATOM 0 HB THR A 49 -9.990 2.167 -6.569 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.324 0.389 -6.436 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.137 1.626 -8.684 1.00 1.00 H new ATOM 0 HG22 THR A 49 -9.649 0.663 -8.524 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.231 -0.087 -8.208 1.00 1.00 H new ATOM 741 N HIS A 50 -10.002 -2.211 -5.393 1.00 1.00 N ATOM 742 CA HIS A 50 -10.667 -3.481 -5.152 1.00 1.00 C ATOM 743 C HIS A 50 -9.723 -4.419 -4.396 1.00 1.00 C ATOM 744 O HIS A 50 -9.764 -5.633 -4.588 1.00 1.00 O ATOM 745 CB HIS A 50 -11.177 -4.084 -6.463 1.00 1.00 C ATOM 746 CG HIS A 50 -12.343 -5.029 -6.291 1.00 1.00 C ATOM 747 ND1 HIS A 50 -12.339 -6.064 -5.372 1.00 1.00 N ATOM 748 CD2 HIS A 50 -13.547 -5.083 -6.929 1.00 1.00 C ATOM 749 CE1 HIS A 50 -13.494 -6.707 -5.463 1.00 1.00 C ATOM 750 NE2 HIS A 50 -14.241 -6.098 -6.428 1.00 1.00 N ATOM 0 H HIS A 50 -8.984 -2.247 -5.349 1.00 1.00 H new ATOM 0 HA HIS A 50 -11.545 -3.323 -4.526 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -11.473 -3.276 -7.132 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -10.359 -4.617 -6.949 1.00 1.00 H new ATOM 0 HD1 HIS A 50 -11.577 -6.293 -4.734 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -13.879 -4.414 -7.709 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -13.792 -7.563 -4.876 1.00 1.00 H new ATOM 758 N LEU A 51 -8.896 -3.819 -3.552 1.00 1.00 N ATOM 759 CA LEU A 51 -8.056 -4.591 -2.652 1.00 1.00 C ATOM 760 C LEU A 51 -8.918 -5.170 -1.529 1.00 1.00 C ATOM 761 O LEU A 51 -10.139 -5.025 -1.541 1.00 1.00 O ATOM 762 CB LEU A 51 -6.884 -3.744 -2.154 1.00 1.00 C ATOM 763 CG LEU A 51 -6.088 -3.002 -3.229 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.013 -3.821 -4.519 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.662 -1.604 -3.471 1.00 1.00 C ATOM 0 H LEU A 51 -8.790 -2.808 -3.473 1.00 1.00 H new ATOM 0 HA LEU A 51 -7.608 -5.434 -3.178 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -7.267 -3.012 -1.443 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -6.200 -4.392 -1.606 1.00 1.00 H new ATOM 0 HG LEU A 51 -5.067 -2.873 -2.869 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -5.442 -3.271 -5.267 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -5.523 -4.774 -4.317 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -7.020 -4.003 -4.894 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -6.077 -1.099 -4.240 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -7.698 -1.688 -3.800 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -6.620 -1.028 -2.546 1.00 1.00 H new ATOM 777 N TYR A 52 -8.248 -5.814 -0.585 1.00 1.00 N ATOM 778 CA TYR A 52 -8.862 -6.115 0.697 1.00 1.00 C ATOM 779 C TYR A 52 -8.284 -5.230 1.803 1.00 1.00 C ATOM 780 O TYR A 52 -7.445 -4.370 1.540 1.00 1.00 O ATOM 781 CB TYR A 52 -8.521 -7.576 0.997 1.00 1.00 C ATOM 782 CG TYR A 52 -7.326 -8.110 0.205 1.00 1.00 C ATOM 783 CD1 TYR A 52 -6.046 -7.711 0.534 1.00 1.00 C ATOM 784 CD2 TYR A 52 -7.527 -8.991 -0.837 1.00 1.00 C ATOM 785 CE1 TYR A 52 -4.922 -8.215 -0.211 1.00 1.00 C ATOM 786 CE2 TYR A 52 -6.402 -9.494 -1.583 1.00 1.00 C ATOM 787 CZ TYR A 52 -5.155 -9.081 -1.233 1.00 1.00 C ATOM 788 OH TYR A 52 -4.093 -9.556 -1.936 1.00 1.00 O ATOM 0 H TYR A 52 -7.285 -6.136 -0.682 1.00 1.00 H new ATOM 0 HA TYR A 52 -9.937 -5.937 0.658 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -8.313 -7.679 2.062 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -9.393 -8.194 0.781 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -5.888 -7.021 1.350 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -8.528 -9.304 -1.094 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -3.915 -7.912 0.037 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -6.546 -10.184 -2.402 1.00 1.00 H new ATOM 0 HH TYR A 52 -4.372 -10.332 -2.465 1.00 1.00 H new ATOM 798 N GLU A 53 -8.755 -5.473 3.018 1.00 1.00 N ATOM 799 CA GLU A 53 -8.343 -4.668 4.155 1.00 1.00 C ATOM 800 C GLU A 53 -6.824 -4.733 4.329 1.00 1.00 C ATOM 801 O GLU A 53 -6.222 -3.823 4.897 1.00 1.00 O ATOM 802 CB GLU A 53 -9.061 -5.112 5.431 1.00 1.00 C ATOM 803 CG GLU A 53 -8.529 -6.463 5.917 1.00 1.00 C ATOM 804 CD GLU A 53 -9.379 -7.004 7.068 1.00 1.00 C ATOM 805 OE1 GLU A 53 -10.501 -7.471 6.775 1.00 1.00 O ATOM 806 OE2 GLU A 53 -8.888 -6.939 8.216 1.00 1.00 O ATOM 0 H GLU A 53 -9.418 -6.216 3.239 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.623 -3.632 3.962 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -8.924 -4.362 6.210 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -10.132 -5.185 5.243 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -8.530 -7.176 5.093 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -7.495 -6.355 6.243 1.00 1.00 H new ATOM 813 N GLN A 54 -6.250 -5.818 3.831 1.00 1.00 N ATOM 814 CA GLN A 54 -4.809 -5.998 3.897 1.00 1.00 C ATOM 815 C GLN A 54 -4.138 -5.353 2.684 1.00 1.00 C ATOM 816 O GLN A 54 -3.110 -5.833 2.209 1.00 1.00 O ATOM 817 CB GLN A 54 -4.447 -7.481 3.999 1.00 1.00 C ATOM 818 CG GLN A 54 -4.873 -8.058 5.352 1.00 1.00 C ATOM 819 CD GLN A 54 -4.115 -7.384 6.497 1.00 1.00 C ATOM 820 OE1 GLN A 54 -2.945 -7.051 6.392 1.00 1.00 O ATOM 821 NE2 GLN A 54 -4.844 -7.202 7.595 1.00 1.00 N ATOM 0 H GLN A 54 -6.756 -6.581 3.380 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.441 -5.504 4.797 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -4.933 -8.034 3.195 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -3.372 -7.606 3.868 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -5.945 -7.919 5.489 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -4.686 -9.132 5.369 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -5.818 -7.504 7.616 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -4.429 -6.760 8.415 1.00 1.00 H new ATOM 830 N ALA A 55 -4.746 -4.273 2.216 1.00 1.00 N ATOM 831 CA ALA A 55 -3.987 -3.180 1.633 1.00 1.00 C ATOM 832 C ALA A 55 -3.759 -2.100 2.693 1.00 1.00 C ATOM 833 O ALA A 55 -4.696 -1.688 3.375 1.00 1.00 O ATOM 834 CB ALA A 55 -4.725 -2.643 0.404 1.00 1.00 C ATOM 0 H ALA A 55 -5.756 -4.132 2.229 1.00 1.00 H new ATOM 0 HA ALA A 55 -3.009 -3.528 1.300 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.155 -1.823 -0.033 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -4.836 -3.440 -0.331 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -5.710 -2.283 0.700 1.00 1.00 H new ATOM 840 N ILE A 56 -2.509 -1.673 2.797 1.00 1.00 N ATOM 841 CA ILE A 56 -2.216 -0.276 3.070 1.00 1.00 C ATOM 842 C ILE A 56 -1.525 0.343 1.855 1.00 1.00 C ATOM 843 O ILE A 56 -0.521 -0.180 1.373 1.00 1.00 O ATOM 844 CB ILE A 56 -1.417 -0.140 4.368 1.00 1.00 C ATOM 845 CG1 ILE A 56 -2.225 -0.643 5.566 1.00 1.00 C ATOM 846 CG2 ILE A 56 -0.933 1.298 4.566 1.00 1.00 C ATOM 847 CD1 ILE A 56 -1.878 -2.098 5.890 1.00 1.00 C ATOM 0 H ILE A 56 -1.688 -2.270 2.697 1.00 1.00 H new ATOM 0 HA ILE A 56 -3.138 0.282 3.231 1.00 1.00 H new ATOM 0 HB ILE A 56 -0.531 -0.770 4.291 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -2.024 -0.015 6.434 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -3.290 -0.559 5.352 1.00 1.00 H new ATOM 0 HG21 ILE A 56 -0.368 1.367 5.496 1.00 1.00 H new ATOM 0 HG22 ILE A 56 -0.294 1.585 3.731 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -1.792 1.968 4.613 1.00 1.00 H new ATOM 0 HD11 ILE A 56 -2.466 -2.431 6.745 1.00 1.00 H new ATOM 0 HD12 ILE A 56 -2.103 -2.726 5.028 1.00 1.00 H new ATOM 0 HD13 ILE A 56 -0.817 -2.175 6.127 1.00 1.00 H new ATOM 859 N VAL A 57 -2.090 1.448 1.391 1.00 1.00 N ATOM 860 CA VAL A 57 -1.675 2.027 0.125 1.00 1.00 C ATOM 861 C VAL A 57 -0.436 2.896 0.349 1.00 1.00 C ATOM 862 O VAL A 57 0.062 2.996 1.469 1.00 1.00 O ATOM 863 CB VAL A 57 -2.838 2.797 -0.505 1.00 1.00 C ATOM 864 CG1 VAL A 57 -2.924 4.218 0.057 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.720 2.815 -2.031 1.00 1.00 C ATOM 0 H VAL A 57 -2.832 1.958 1.870 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.400 1.244 -0.581 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.762 2.280 -0.247 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -3.759 4.743 -0.407 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.078 4.174 1.135 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -1.997 4.750 -0.156 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.558 3.368 -2.454 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.785 3.297 -2.318 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.732 1.793 -2.409 1.00 1.00 H new ATOM 875 N TRP A 58 0.028 3.501 -0.735 1.00 1.00 N ATOM 876 CA TRP A 58 1.369 4.059 -0.766 1.00 1.00 C ATOM 877 C TRP A 58 1.398 5.271 0.166 1.00 1.00 C ATOM 878 O TRP A 58 0.369 5.902 0.404 1.00 1.00 O ATOM 879 CB TRP A 58 1.790 4.395 -2.197 1.00 1.00 C ATOM 880 CG TRP A 58 3.158 5.073 -2.301 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.349 4.498 -2.514 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.428 6.487 -2.187 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.363 5.434 -2.545 1.00 1.00 N ATOM 884 CE2 TRP A 58 4.785 6.681 -2.339 1.00 1.00 C ATOM 885 CE3 TRP A 58 2.553 7.565 -1.963 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.389 7.943 -2.284 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.173 8.819 -1.910 1.00 1.00 C ATOM 888 CH2 TRP A 58 4.538 9.032 -2.062 1.00 1.00 C ATOM 0 H TRP A 58 -0.502 3.617 -1.599 1.00 1.00 H new ATOM 0 HA TRP A 58 2.098 3.330 -0.412 1.00 1.00 H new ATOM 0 HB2 TRP A 58 1.805 3.477 -2.785 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.038 5.047 -2.642 1.00 1.00 H new ATOM 0 HD1 TRP A 58 4.497 3.436 -2.645 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.355 5.245 -2.692 1.00 1.00 H new ATOM 0 HE3 TRP A 58 1.488 7.436 -1.842 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 6.455 8.069 -2.406 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 2.546 9.682 -1.739 1.00 1.00 H new ATOM 0 HH2 TRP A 58 4.940 10.033 -2.009 1.00 1.00 H new ATOM 899 N PRO A 59 2.620 5.570 0.683 1.00 1.00 N ATOM 900 CA PRO A 59 3.690 4.586 0.691 1.00 1.00 C ATOM 901 C PRO A 59 3.454 3.527 1.769 1.00 1.00 C ATOM 902 O PRO A 59 2.359 3.433 2.323 1.00 1.00 O ATOM 903 CB PRO A 59 4.960 5.389 0.915 1.00 1.00 C ATOM 904 CG PRO A 59 4.515 6.726 1.487 1.00 1.00 C ATOM 905 CD PRO A 59 3.014 6.846 1.273 1.00 1.00 C ATOM 0 HA PRO A 59 3.750 4.022 -0.240 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.631 4.874 1.603 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.505 5.526 -0.019 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.756 6.787 2.548 1.00 1.00 H new ATOM 0 HG3 PRO A 59 5.038 7.546 0.994 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.493 7.025 2.214 1.00 1.00 H new ATOM 0 HD3 PRO A 59 2.774 7.679 0.612 1.00 1.00 H new ATOM 913 N LEU A 60 4.498 2.756 2.035 1.00 1.00 N ATOM 914 CA LEU A 60 4.630 2.091 3.320 1.00 1.00 C ATOM 915 C LEU A 60 4.790 3.142 4.419 1.00 1.00 C ATOM 916 O LEU A 60 5.234 4.259 4.156 1.00 1.00 O ATOM 917 CB LEU A 60 5.764 1.066 3.279 1.00 1.00 C ATOM 918 CG LEU A 60 5.525 -0.164 2.400 1.00 1.00 C ATOM 919 CD1 LEU A 60 4.031 -0.462 2.267 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.201 -0.003 1.036 1.00 1.00 C ATOM 0 H LEU A 60 5.261 2.577 1.382 1.00 1.00 H new ATOM 0 HA LEU A 60 3.728 1.524 3.550 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.667 1.567 2.931 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.959 0.728 4.297 1.00 1.00 H new ATOM 0 HG LEU A 60 5.982 -1.025 2.887 1.00 1.00 H new ATOM 0 HD11 LEU A 60 3.890 -1.341 1.637 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.608 -0.651 3.254 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.528 0.393 1.815 1.00 1.00 H new ATOM 0 HD21 LEU A 60 6.016 -0.891 0.431 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.795 0.873 0.530 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.275 0.124 1.175 1.00 1.00 H new ATOM 932 N PRO A 61 4.411 2.739 5.662 1.00 1.00 N ATOM 933 CA PRO A 61 4.687 3.554 6.832 1.00 1.00 C ATOM 934 C PRO A 61 6.166 3.473 7.219 1.00 1.00 C ATOM 935 O PRO A 61 6.847 4.494 7.299 1.00 1.00 O ATOM 936 CB PRO A 61 3.760 3.021 7.911 1.00 1.00 C ATOM 937 CG PRO A 61 3.336 1.636 7.450 1.00 1.00 C ATOM 938 CD PRO A 61 3.711 1.499 5.984 1.00 1.00 C ATOM 0 HA PRO A 61 4.505 4.615 6.659 1.00 1.00 H new ATOM 0 HB2 PRO A 61 4.268 2.973 8.874 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.895 3.672 8.039 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.831 0.868 8.044 1.00 1.00 H new ATOM 0 HG3 PRO A 61 2.263 1.501 7.584 1.00 1.00 H new ATOM 0 HD2 PRO A 61 4.348 0.630 5.818 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.827 1.370 5.360 1.00 1.00 H new ATOM 946 N ASN A 62 6.618 2.249 7.450 1.00 1.00 N ATOM 947 CA ASN A 62 7.803 2.029 8.261 1.00 1.00 C ATOM 948 C ASN A 62 8.971 1.638 7.355 1.00 1.00 C ATOM 949 O ASN A 62 10.035 1.252 7.838 1.00 1.00 O ATOM 950 CB ASN A 62 7.582 0.896 9.264 1.00 1.00 C ATOM 951 CG ASN A 62 7.237 -0.412 8.546 1.00 1.00 C ATOM 952 OD1 ASN A 62 6.517 -0.439 7.563 1.00 1.00 O ATOM 953 ND2 ASN A 62 7.792 -1.490 9.093 1.00 1.00 N ATOM 0 H ASN A 62 6.184 1.399 7.089 1.00 1.00 H new ATOM 0 HA ASN A 62 8.017 2.951 8.801 1.00 1.00 H new ATOM 0 HB2 ASN A 62 8.480 0.759 9.867 1.00 1.00 H new ATOM 0 HB3 ASN A 62 6.777 1.163 9.948 1.00 1.00 H new ATOM 0 HD21 ASN A 62 7.624 -2.411 8.688 1.00 1.00 H new ATOM 0 HD22 ASN A 62 8.386 -1.396 9.917 1.00 1.00 H new ATOM 960 N LYS A 63 8.734 1.750 6.055 1.00 1.00 N ATOM 961 CA LYS A 63 9.773 1.473 5.079 1.00 1.00 C ATOM 962 C LYS A 63 9.370 2.070 3.729 1.00 1.00 C ATOM 963 O LYS A 63 9.298 1.360 2.728 1.00 1.00 O ATOM 964 CB LYS A 63 10.069 -0.028 5.022 1.00 1.00 C ATOM 965 CG LYS A 63 8.785 -0.833 4.813 1.00 1.00 C ATOM 966 CD LYS A 63 9.087 -2.191 4.177 1.00 1.00 C ATOM 967 CE LYS A 63 9.330 -2.050 2.673 1.00 1.00 C ATOM 968 NZ LYS A 63 9.466 -3.382 2.043 1.00 1.00 N ATOM 0 H LYS A 63 7.838 2.029 5.656 1.00 1.00 H new ATOM 0 HA LYS A 63 10.708 1.949 5.374 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.767 -0.234 4.211 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.553 -0.342 5.947 1.00 1.00 H new ATOM 0 HG2 LYS A 63 8.283 -0.979 5.770 1.00 1.00 H new ATOM 0 HG3 LYS A 63 8.100 -0.273 4.176 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.964 -2.632 4.651 1.00 1.00 H new ATOM 0 HD3 LYS A 63 8.254 -2.872 4.352 1.00 1.00 H new ATOM 0 HE2 LYS A 63 8.504 -1.507 2.214 1.00 1.00 H new ATOM 0 HE3 LYS A 63 10.232 -1.464 2.498 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 10.136 -3.324 1.250 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 9.819 -4.064 2.745 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.539 -3.696 1.691 1.00 1.00 H new ATOM 982 N ARG A 64 9.120 3.371 3.745 1.00 1.00 N ATOM 983 CA ARG A 64 8.862 4.100 2.515 1.00 1.00 C ATOM 984 C ARG A 64 10.115 4.118 1.636 1.00 1.00 C ATOM 985 O ARG A 64 11.201 3.766 2.092 1.00 1.00 O ATOM 986 CB ARG A 64 8.430 5.539 2.807 1.00 1.00 C ATOM 987 CG ARG A 64 9.556 6.322 3.484 1.00 1.00 C ATOM 988 CD ARG A 64 9.222 7.813 3.554 1.00 1.00 C ATOM 989 NE ARG A 64 10.310 8.544 4.241 1.00 1.00 N ATOM 990 CZ ARG A 64 11.374 9.068 3.618 1.00 1.00 C ATOM 991 NH1 ARG A 64 11.623 8.752 2.339 1.00 1.00 N ATOM 992 NH2 ARG A 64 12.189 9.906 4.272 1.00 1.00 N ATOM 0 H ARG A 64 9.091 3.940 4.591 1.00 1.00 H new ATOM 0 HA ARG A 64 8.054 3.590 1.991 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.146 6.033 1.878 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.548 5.535 3.448 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.719 5.935 4.490 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.485 6.179 2.933 1.00 1.00 H new ATOM 0 HD2 ARG A 64 9.084 8.211 2.549 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.282 7.959 4.086 1.00 1.00 H new ATOM 0 HE ARG A 64 10.246 8.656 5.253 1.00 1.00 H new ATOM 0 HH11 ARG A 64 11.003 8.113 1.841 1.00 1.00 H new ATOM 0 HH12 ARG A 64 12.433 9.150 1.864 1.00 1.00 H new ATOM 0 HH21 ARG A 64 12.000 10.146 5.245 1.00 1.00 H new ATOM 0 HH22 ARG A 64 12.999 10.304 3.797 1.00 1.00 H new ATOM 1006 N CYS A 65 9.920 4.531 0.393 1.00 1.00 N ATOM 1007 CA CYS A 65 11.035 4.696 -0.524 1.00 1.00 C ATOM 1008 C CYS A 65 11.910 5.844 -0.017 1.00 1.00 C ATOM 1009 O CYS A 65 11.405 6.807 0.558 1.00 1.00 O ATOM 1010 CB CYS A 65 10.559 4.933 -1.958 1.00 1.00 C ATOM 1011 SG CYS A 65 11.705 4.341 -3.256 1.00 1.00 S ATOM 0 H CYS A 65 9.007 4.756 -0.001 1.00 1.00 H new ATOM 0 HA CYS A 65 11.622 3.778 -0.553 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.596 4.441 -2.092 1.00 1.00 H new ATOM 0 HB3 CYS A 65 10.394 6.001 -2.099 1.00 1.00 H new