USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 510 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 50 LYS NZ :NH3+ 173:sc= 0.764 (180deg=0) USER MOD Set 1.2: A 51 ASN : amide:sc= 0.667 K(o=1.4,f=-5.2!) USER MOD Set 2.1: A 34 GLN : amide:sc= 0.277 X(o=1.3,f=0.84) USER MOD Set 2.2: A 37 TYR OH : rot 162:sc= 0.991 USER MOD Set 3.1: A 29 ASN : amide:sc= 1.57 K(o=2.7,f=-2.2) USER MOD Set 3.2: A 32 SER OG : rot 150:sc= 0 USER MOD Set 3.3: A 38 LYS NZ :NH3+ -176:sc= 1.14 (180deg=0.283) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 132:sc= 0.0167 (180deg=-0.0782) USER MOD Single : A 6 LYS NZ :NH3+ -159:sc= 0.843 (180deg=0.585) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 31:sc= 0.566 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= 1.22 (180deg=0.805) USER MOD Single : A 35 ASN : amide:sc= 0.252 K(o=0.25,f=-3.3!) USER MOD Single : A 42 ASN : amide:sc= -0.6 X(o=-0.6,f=-0.6) USER MOD Single : A 44 LYS NZ :NH3+ 169:sc= 0.546 (180deg=0.455) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.739 3.234 3.588 1.00 0.00 N ATOM 2 CA MET A 1 12.086 1.892 3.129 1.00 0.00 C ATOM 3 C MET A 1 11.454 1.573 1.758 1.00 0.00 C ATOM 4 O MET A 1 10.885 2.442 1.096 1.00 0.00 O ATOM 5 CB MET A 1 11.740 0.866 4.234 1.00 0.00 C ATOM 6 CG MET A 1 10.249 0.737 4.605 1.00 0.00 C ATOM 7 SD MET A 1 9.179 -0.157 3.438 1.00 0.00 S ATOM 8 CE MET A 1 7.781 -0.560 4.517 1.00 0.00 C ATOM 0 H1 MET A 1 11.419 3.191 4.576 1.00 0.00 H new ATOM 0 H2 MET A 1 12.574 3.850 3.521 1.00 0.00 H new ATOM 0 H3 MET A 1 10.977 3.618 2.993 1.00 0.00 H new ATOM 0 HA MET A 1 13.161 1.831 2.956 1.00 0.00 H new ATOM 0 HB2 MET A 1 12.099 -0.113 3.916 1.00 0.00 H new ATOM 0 HB3 MET A 1 12.294 1.132 5.134 1.00 0.00 H new ATOM 0 HG2 MET A 1 10.183 0.240 5.573 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.844 1.741 4.734 1.00 0.00 H new ATOM 0 HE1 MET A 1 7.032 -1.113 3.950 1.00 0.00 H new ATOM 0 HE2 MET A 1 8.129 -1.170 5.350 1.00 0.00 H new ATOM 0 HE3 MET A 1 7.340 0.360 4.901 1.00 0.00 H new ATOM 19 N GLU A 2 11.567 0.310 1.322 1.00 0.00 N ATOM 20 CA GLU A 2 10.882 -0.228 0.147 1.00 0.00 C ATOM 21 C GLU A 2 10.572 -1.721 0.331 1.00 0.00 C ATOM 22 O GLU A 2 11.313 -2.437 1.007 1.00 0.00 O ATOM 23 CB GLU A 2 11.674 0.071 -1.138 1.00 0.00 C ATOM 24 CG GLU A 2 13.087 -0.531 -1.177 1.00 0.00 C ATOM 25 CD GLU A 2 13.865 -0.028 -2.396 1.00 0.00 C ATOM 26 OE1 GLU A 2 14.279 1.153 -2.355 1.00 0.00 O ATOM 27 OE2 GLU A 2 14.015 -0.820 -3.351 1.00 0.00 O ATOM 0 H GLU A 2 12.153 -0.380 1.792 1.00 0.00 H new ATOM 0 HA GLU A 2 9.922 0.276 0.039 1.00 0.00 H new ATOM 0 HB2 GLU A 2 11.110 -0.305 -1.992 1.00 0.00 H new ATOM 0 HB3 GLU A 2 11.751 1.152 -1.258 1.00 0.00 H new ATOM 0 HG2 GLU A 2 13.623 -0.268 -0.265 1.00 0.00 H new ATOM 0 HG3 GLU A 2 13.022 -1.619 -1.206 1.00 0.00 H new ATOM 34 N ALA A 3 9.445 -2.171 -0.241 1.00 0.00 N ATOM 35 CA ALA A 3 8.866 -3.493 -0.010 1.00 0.00 C ATOM 36 C ALA A 3 8.196 -4.053 -1.277 1.00 0.00 C ATOM 37 O ALA A 3 7.710 -3.301 -2.123 1.00 0.00 O ATOM 38 CB ALA A 3 7.873 -3.390 1.155 1.00 0.00 C ATOM 0 H ALA A 3 8.901 -1.607 -0.893 1.00 0.00 H new ATOM 0 HA ALA A 3 9.659 -4.195 0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 3 7.430 -4.368 1.343 1.00 0.00 H new ATOM 0 HB2 ALA A 3 8.395 -3.051 2.049 1.00 0.00 H new ATOM 0 HB3 ALA A 3 7.087 -2.678 0.902 1.00 0.00 H new ATOM 44 N ILE A 4 8.181 -5.389 -1.399 1.00 0.00 N ATOM 45 CA ILE A 4 7.683 -6.125 -2.561 1.00 0.00 C ATOM 46 C ILE A 4 6.181 -6.390 -2.385 1.00 0.00 C ATOM 47 O ILE A 4 5.769 -6.970 -1.382 1.00 0.00 O ATOM 48 CB ILE A 4 8.467 -7.451 -2.741 1.00 0.00 C ATOM 49 CG1 ILE A 4 9.957 -7.244 -3.104 1.00 0.00 C ATOM 50 CG2 ILE A 4 7.839 -8.300 -3.867 1.00 0.00 C ATOM 51 CD1 ILE A 4 10.827 -6.617 -2.005 1.00 0.00 C ATOM 0 H ILE A 4 8.528 -6.004 -0.663 1.00 0.00 H new ATOM 0 HA ILE A 4 7.833 -5.529 -3.461 1.00 0.00 H new ATOM 0 HB ILE A 4 8.409 -7.951 -1.774 1.00 0.00 H new ATOM 0 HG12 ILE A 4 10.384 -8.210 -3.374 1.00 0.00 H new ATOM 0 HG13 ILE A 4 10.012 -6.612 -3.991 1.00 0.00 H new ATOM 0 HG21 ILE A 4 8.401 -9.227 -3.980 1.00 0.00 H new ATOM 0 HG22 ILE A 4 6.804 -8.532 -3.614 1.00 0.00 H new ATOM 0 HG23 ILE A 4 7.868 -7.742 -4.803 1.00 0.00 H new ATOM 0 HD11 ILE A 4 11.851 -6.517 -2.364 1.00 0.00 H new ATOM 0 HD12 ILE A 4 10.435 -5.633 -1.748 1.00 0.00 H new ATOM 0 HD13 ILE A 4 10.813 -7.255 -1.122 1.00 0.00 H new ATOM 63 N ALA A 5 5.367 -6.011 -3.379 1.00 0.00 N ATOM 64 CA ALA A 5 3.938 -6.304 -3.440 1.00 0.00 C ATOM 65 C ALA A 5 3.689 -7.820 -3.408 1.00 0.00 C ATOM 66 O ALA A 5 4.115 -8.543 -4.308 1.00 0.00 O ATOM 67 CB ALA A 5 3.343 -5.660 -4.695 1.00 0.00 C ATOM 0 H ALA A 5 5.698 -5.478 -4.183 1.00 0.00 H new ATOM 0 HA ALA A 5 3.443 -5.882 -2.565 1.00 0.00 H new ATOM 0 HB1 ALA A 5 2.276 -5.877 -4.744 1.00 0.00 H new ATOM 0 HB2 ALA A 5 3.493 -4.581 -4.656 1.00 0.00 H new ATOM 0 HB3 ALA A 5 3.836 -6.063 -5.580 1.00 0.00 H new ATOM 73 N LYS A 6 3.004 -8.289 -2.358 1.00 0.00 N ATOM 74 CA LYS A 6 2.694 -9.695 -2.100 1.00 0.00 C ATOM 75 C LYS A 6 1.353 -10.080 -2.751 1.00 0.00 C ATOM 76 O LYS A 6 1.244 -11.143 -3.361 1.00 0.00 O ATOM 77 CB LYS A 6 2.722 -9.912 -0.576 1.00 0.00 C ATOM 78 CG LYS A 6 2.319 -11.328 -0.141 1.00 0.00 C ATOM 79 CD LYS A 6 2.747 -11.634 1.307 1.00 0.00 C ATOM 80 CE LYS A 6 2.392 -10.543 2.334 1.00 0.00 C ATOM 81 NZ LYS A 6 0.944 -10.267 2.377 1.00 0.00 N ATOM 0 H LYS A 6 2.636 -7.670 -1.636 1.00 0.00 H new ATOM 0 HA LYS A 6 3.435 -10.354 -2.552 1.00 0.00 H new ATOM 0 HB2 LYS A 6 3.726 -9.701 -0.207 1.00 0.00 H new ATOM 0 HB3 LYS A 6 2.052 -9.193 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 6 1.239 -11.440 -0.230 1.00 0.00 H new ATOM 0 HG3 LYS A 6 2.772 -12.056 -0.814 1.00 0.00 H new ATOM 0 HD2 LYS A 6 2.282 -12.570 1.618 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.825 -11.793 1.326 1.00 0.00 H new ATOM 0 HE2 LYS A 6 2.730 -10.853 3.323 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.928 -9.626 2.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 0.782 -9.325 2.788 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.556 -10.295 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 0.471 -10.986 2.961 1.00 0.00 H new ATOM 95 N VAL A 7 0.350 -9.196 -2.646 1.00 0.00 N ATOM 96 CA VAL A 7 -0.936 -9.260 -3.344 1.00 0.00 C ATOM 97 C VAL A 7 -1.184 -7.934 -4.090 1.00 0.00 C ATOM 98 O VAL A 7 -0.776 -6.864 -3.634 1.00 0.00 O ATOM 99 CB VAL A 7 -2.068 -9.620 -2.353 1.00 0.00 C ATOM 100 CG1 VAL A 7 -2.005 -8.764 -1.084 1.00 0.00 C ATOM 101 CG2 VAL A 7 -3.466 -9.517 -2.988 1.00 0.00 C ATOM 0 H VAL A 7 0.420 -8.378 -2.041 1.00 0.00 H new ATOM 0 HA VAL A 7 -0.919 -10.053 -4.092 1.00 0.00 H new ATOM 0 HB VAL A 7 -1.903 -10.662 -2.080 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -2.816 -9.047 -0.413 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -1.049 -8.923 -0.585 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -2.104 -7.712 -1.350 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -4.222 -9.780 -2.248 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -3.635 -8.497 -3.332 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -3.533 -10.201 -3.834 1.00 0.00 H new ATOM 111 N ASP A 8 -1.856 -8.017 -5.247 1.00 0.00 N ATOM 112 CA ASP A 8 -2.221 -6.885 -6.093 1.00 0.00 C ATOM 113 C ASP A 8 -3.353 -6.057 -5.455 1.00 0.00 C ATOM 114 O ASP A 8 -4.388 -6.610 -5.083 1.00 0.00 O ATOM 115 CB ASP A 8 -2.601 -7.400 -7.498 1.00 0.00 C ATOM 116 CG ASP A 8 -3.749 -8.414 -7.499 1.00 0.00 C ATOM 117 OD1 ASP A 8 -3.493 -9.557 -7.055 1.00 0.00 O ATOM 118 OD2 ASP A 8 -4.853 -8.035 -7.948 1.00 0.00 O ATOM 0 H ASP A 8 -2.169 -8.910 -5.628 1.00 0.00 H new ATOM 0 HA ASP A 8 -1.366 -6.216 -6.191 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -2.879 -6.551 -8.122 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -1.724 -7.858 -7.955 1.00 0.00 H new ATOM 123 N PHE A 9 -3.162 -4.732 -5.342 1.00 0.00 N ATOM 124 CA PHE A 9 -4.183 -3.783 -4.901 1.00 0.00 C ATOM 125 C PHE A 9 -4.834 -3.136 -6.133 1.00 0.00 C ATOM 126 O PHE A 9 -4.193 -2.359 -6.842 1.00 0.00 O ATOM 127 CB PHE A 9 -3.580 -2.732 -3.953 1.00 0.00 C ATOM 128 CG PHE A 9 -4.629 -1.890 -3.237 1.00 0.00 C ATOM 129 CD1 PHE A 9 -5.144 -0.722 -3.842 1.00 0.00 C ATOM 130 CD2 PHE A 9 -5.185 -2.340 -2.018 1.00 0.00 C ATOM 131 CE1 PHE A 9 -6.163 0.019 -3.207 1.00 0.00 C ATOM 132 CE2 PHE A 9 -6.219 -1.611 -1.393 1.00 0.00 C ATOM 133 CZ PHE A 9 -6.707 -0.429 -1.987 1.00 0.00 C ATOM 0 H PHE A 9 -2.271 -4.287 -5.561 1.00 0.00 H new ATOM 0 HA PHE A 9 -4.954 -4.309 -4.338 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -2.961 -3.236 -3.211 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -2.923 -2.074 -4.522 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -4.756 -0.395 -4.795 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -4.816 -3.247 -1.562 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -6.527 0.931 -3.657 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -6.637 -1.958 -0.460 1.00 0.00 H new ATOM 0 HZ PHE A 9 -7.496 0.132 -1.508 1.00 0.00 H new ATOM 143 N LYS A 10 -6.111 -3.459 -6.379 1.00 0.00 N ATOM 144 CA LYS A 10 -6.914 -2.952 -7.488 1.00 0.00 C ATOM 145 C LYS A 10 -7.815 -1.818 -6.976 1.00 0.00 C ATOM 146 O LYS A 10 -8.942 -2.062 -6.545 1.00 0.00 O ATOM 147 CB LYS A 10 -7.700 -4.129 -8.096 1.00 0.00 C ATOM 148 CG LYS A 10 -8.479 -3.730 -9.358 1.00 0.00 C ATOM 149 CD LYS A 10 -9.162 -4.965 -9.964 1.00 0.00 C ATOM 150 CE LYS A 10 -9.931 -4.601 -11.240 1.00 0.00 C ATOM 151 NZ LYS A 10 -10.568 -5.790 -11.836 1.00 0.00 N ATOM 0 H LYS A 10 -6.629 -4.106 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.295 -2.529 -8.279 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.008 -4.935 -8.340 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -8.395 -4.519 -7.353 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -9.226 -2.975 -9.111 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.803 -3.283 -10.087 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.413 -5.724 -10.191 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -9.846 -5.400 -9.235 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -10.691 -3.855 -11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -9.250 -4.150 -11.962 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -11.081 -5.514 -12.698 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -9.838 -6.491 -12.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -11.235 -6.205 -11.154 1.00 0.00 H new ATOM 165 N ALA A 11 -7.309 -0.575 -7.005 1.00 0.00 N ATOM 166 CA ALA A 11 -8.001 0.598 -6.468 1.00 0.00 C ATOM 167 C ALA A 11 -9.218 1.000 -7.317 1.00 0.00 C ATOM 168 O ALA A 11 -9.150 0.995 -8.546 1.00 0.00 O ATOM 169 CB ALA A 11 -7.032 1.783 -6.363 1.00 0.00 C ATOM 0 H ALA A 11 -6.397 -0.358 -7.407 1.00 0.00 H new ATOM 0 HA ALA A 11 -8.365 0.327 -5.477 1.00 0.00 H new ATOM 0 HB1 ALA A 11 -7.559 2.649 -5.962 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -6.207 1.521 -5.700 1.00 0.00 H new ATOM 0 HB3 ALA A 11 -6.641 2.022 -7.352 1.00 0.00 H new ATOM 175 N THR A 12 -10.309 1.395 -6.646 1.00 0.00 N ATOM 176 CA THR A 12 -11.490 2.011 -7.254 1.00 0.00 C ATOM 177 C THR A 12 -11.289 3.534 -7.328 1.00 0.00 C ATOM 178 O THR A 12 -11.383 4.123 -8.403 1.00 0.00 O ATOM 179 CB THR A 12 -12.757 1.635 -6.456 1.00 0.00 C ATOM 180 OG1 THR A 12 -12.906 0.228 -6.424 1.00 0.00 O ATOM 181 CG2 THR A 12 -14.027 2.240 -7.073 1.00 0.00 C ATOM 0 H THR A 12 -10.394 1.290 -5.635 1.00 0.00 H new ATOM 0 HA THR A 12 -11.624 1.637 -8.269 1.00 0.00 H new ATOM 0 HB THR A 12 -12.632 2.036 -5.450 1.00 0.00 H new ATOM 0 HG1 THR A 12 -13.711 -0.004 -5.915 1.00 0.00 H new ATOM 0 HG21 THR A 12 -14.894 1.950 -6.479 1.00 0.00 H new ATOM 0 HG22 THR A 12 -13.943 3.327 -7.086 1.00 0.00 H new ATOM 0 HG23 THR A 12 -14.146 1.874 -8.093 1.00 0.00 H new ATOM 189 N ALA A 13 -11.014 4.163 -6.174 1.00 0.00 N ATOM 190 CA ALA A 13 -10.782 5.598 -6.024 1.00 0.00 C ATOM 191 C ALA A 13 -9.338 5.970 -6.408 1.00 0.00 C ATOM 192 O ALA A 13 -8.392 5.314 -5.967 1.00 0.00 O ATOM 193 CB ALA A 13 -11.086 5.992 -4.573 1.00 0.00 C ATOM 0 H ALA A 13 -10.946 3.661 -5.289 1.00 0.00 H new ATOM 0 HA ALA A 13 -11.441 6.146 -6.697 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -10.918 7.061 -4.443 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -12.125 5.758 -4.342 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -10.431 5.438 -3.901 1.00 0.00 H new ATOM 199 N ASP A 14 -9.171 7.026 -7.223 1.00 0.00 N ATOM 200 CA ASP A 14 -7.876 7.516 -7.701 1.00 0.00 C ATOM 201 C ASP A 14 -7.192 8.387 -6.625 1.00 0.00 C ATOM 202 O ASP A 14 -7.024 9.596 -6.781 1.00 0.00 O ATOM 203 CB ASP A 14 -8.072 8.230 -9.054 1.00 0.00 C ATOM 204 CG ASP A 14 -6.749 8.610 -9.726 1.00 0.00 C ATOM 205 OD1 ASP A 14 -5.890 7.709 -9.851 1.00 0.00 O ATOM 206 OD2 ASP A 14 -6.621 9.791 -10.116 1.00 0.00 O ATOM 0 H ASP A 14 -9.957 7.574 -7.574 1.00 0.00 H new ATOM 0 HA ASP A 14 -7.194 6.684 -7.876 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -8.640 7.582 -9.722 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -8.667 9.130 -8.901 1.00 0.00 H new ATOM 211 N ASP A 15 -6.797 7.729 -5.529 1.00 0.00 N ATOM 212 CA ASP A 15 -6.104 8.272 -4.360 1.00 0.00 C ATOM 213 C ASP A 15 -5.393 7.128 -3.611 1.00 0.00 C ATOM 214 O ASP A 15 -4.224 7.254 -3.247 1.00 0.00 O ATOM 215 CB ASP A 15 -7.056 9.110 -3.475 1.00 0.00 C ATOM 216 CG ASP A 15 -8.335 8.420 -2.990 1.00 0.00 C ATOM 217 OD1 ASP A 15 -8.567 7.251 -3.363 1.00 0.00 O ATOM 218 OD2 ASP A 15 -9.080 9.087 -2.237 1.00 0.00 O ATOM 0 H ASP A 15 -6.967 6.728 -5.431 1.00 0.00 H new ATOM 0 HA ASP A 15 -5.333 8.974 -4.679 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -6.499 9.446 -2.601 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -7.342 10.002 -4.033 1.00 0.00 H new ATOM 223 N GLU A 16 -6.086 5.994 -3.425 1.00 0.00 N ATOM 224 CA GLU A 16 -5.520 4.740 -2.943 1.00 0.00 C ATOM 225 C GLU A 16 -4.648 4.152 -4.067 1.00 0.00 C ATOM 226 O GLU A 16 -5.143 3.906 -5.167 1.00 0.00 O ATOM 227 CB GLU A 16 -6.647 3.767 -2.541 1.00 0.00 C ATOM 228 CG GLU A 16 -7.651 4.334 -1.522 1.00 0.00 C ATOM 229 CD GLU A 16 -6.981 4.942 -0.291 1.00 0.00 C ATOM 230 OE1 GLU A 16 -6.614 4.159 0.609 1.00 0.00 O ATOM 231 OE2 GLU A 16 -6.874 6.187 -0.252 1.00 0.00 O ATOM 0 H GLU A 16 -7.086 5.930 -3.614 1.00 0.00 H new ATOM 0 HA GLU A 16 -4.908 4.909 -2.057 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -7.189 3.470 -3.438 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -6.199 2.864 -2.126 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -8.262 5.095 -2.008 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -8.325 3.539 -1.205 1.00 0.00 H new ATOM 238 N LEU A 17 -3.344 3.965 -3.816 1.00 0.00 N ATOM 239 CA LEU A 17 -2.370 3.543 -4.822 1.00 0.00 C ATOM 240 C LEU A 17 -2.683 2.131 -5.333 1.00 0.00 C ATOM 241 O LEU A 17 -2.725 1.187 -4.544 1.00 0.00 O ATOM 242 CB LEU A 17 -0.952 3.606 -4.228 1.00 0.00 C ATOM 243 CG LEU A 17 0.184 3.287 -5.220 1.00 0.00 C ATOM 244 CD1 LEU A 17 0.205 4.265 -6.399 1.00 0.00 C ATOM 245 CD2 LEU A 17 1.532 3.370 -4.493 1.00 0.00 C ATOM 0 H LEU A 17 -2.934 4.106 -2.893 1.00 0.00 H new ATOM 0 HA LEU A 17 -2.429 4.222 -5.673 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -0.789 4.604 -3.821 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.892 2.907 -3.394 1.00 0.00 H new ATOM 0 HG LEU A 17 0.010 2.283 -5.608 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.020 4.004 -7.074 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -0.742 4.208 -6.936 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.352 5.279 -6.028 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.337 3.145 -5.192 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.669 4.375 -4.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.549 2.649 -3.675 1.00 0.00 H new ATOM 257 N SER A 18 -2.870 1.990 -6.653 1.00 0.00 N ATOM 258 CA SER A 18 -3.058 0.704 -7.325 1.00 0.00 C ATOM 259 C SER A 18 -1.706 0.137 -7.771 1.00 0.00 C ATOM 260 O SER A 18 -0.894 0.863 -8.346 1.00 0.00 O ATOM 261 CB SER A 18 -4.015 0.845 -8.516 1.00 0.00 C ATOM 262 OG SER A 18 -4.280 -0.425 -9.081 1.00 0.00 O ATOM 0 H SER A 18 -2.895 2.784 -7.292 1.00 0.00 H new ATOM 0 HA SER A 18 -3.508 0.006 -6.619 1.00 0.00 H new ATOM 0 HB2 SER A 18 -4.947 1.308 -8.191 1.00 0.00 H new ATOM 0 HB3 SER A 18 -3.578 1.502 -9.268 1.00 0.00 H new ATOM 0 HG SER A 18 -4.245 -1.109 -8.380 1.00 0.00 H new ATOM 268 N PHE A 19 -1.476 -1.156 -7.510 1.00 0.00 N ATOM 269 CA PHE A 19 -0.224 -1.854 -7.803 1.00 0.00 C ATOM 270 C PHE A 19 -0.451 -3.365 -7.944 1.00 0.00 C ATOM 271 O PHE A 19 -1.436 -3.903 -7.439 1.00 0.00 O ATOM 272 CB PHE A 19 0.826 -1.537 -6.724 1.00 0.00 C ATOM 273 CG PHE A 19 0.425 -1.878 -5.293 1.00 0.00 C ATOM 274 CD1 PHE A 19 -0.218 -0.909 -4.490 1.00 0.00 C ATOM 275 CD2 PHE A 19 0.737 -3.142 -4.742 1.00 0.00 C ATOM 276 CE1 PHE A 19 -0.528 -1.191 -3.143 1.00 0.00 C ATOM 277 CE2 PHE A 19 0.484 -3.402 -3.377 1.00 0.00 C ATOM 278 CZ PHE A 19 -0.140 -2.422 -2.576 1.00 0.00 C ATOM 0 H PHE A 19 -2.176 -1.759 -7.078 1.00 0.00 H new ATOM 0 HA PHE A 19 0.156 -1.497 -8.760 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.742 -2.077 -6.964 1.00 0.00 H new ATOM 0 HB3 PHE A 19 1.061 -0.474 -6.773 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.473 0.053 -4.910 1.00 0.00 H new ATOM 0 HD2 PHE A 19 1.170 -3.910 -5.366 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -1.062 -0.465 -2.547 1.00 0.00 H new ATOM 0 HE2 PHE A 19 0.768 -4.351 -2.946 1.00 0.00 H new ATOM 0 HZ PHE A 19 -0.320 -2.615 -1.529 1.00 0.00 H new ATOM 288 N LYS A 20 0.476 -4.042 -8.637 1.00 0.00 N ATOM 289 CA LYS A 20 0.446 -5.477 -8.910 1.00 0.00 C ATOM 290 C LYS A 20 1.486 -6.223 -8.062 1.00 0.00 C ATOM 291 O LYS A 20 2.543 -5.687 -7.732 1.00 0.00 O ATOM 292 CB LYS A 20 0.686 -5.731 -10.408 1.00 0.00 C ATOM 293 CG LYS A 20 -0.444 -5.150 -11.272 1.00 0.00 C ATOM 294 CD LYS A 20 -0.248 -5.533 -12.746 1.00 0.00 C ATOM 295 CE LYS A 20 -1.395 -4.986 -13.606 1.00 0.00 C ATOM 296 NZ LYS A 20 -1.245 -5.381 -15.018 1.00 0.00 N ATOM 0 H LYS A 20 1.296 -3.584 -9.035 1.00 0.00 H new ATOM 0 HA LYS A 20 -0.538 -5.859 -8.639 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.636 -5.286 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.766 -6.803 -10.587 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -1.406 -5.521 -10.919 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -0.464 -4.065 -11.172 1.00 0.00 H new ATOM 0 HD2 LYS A 20 0.703 -5.139 -13.106 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -0.200 -6.618 -12.842 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.347 -5.354 -13.223 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.421 -3.899 -13.532 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.036 -4.995 -15.572 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.348 -5.008 -15.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.245 -6.418 -15.090 1.00 0.00 H new ATOM 310 N ARG A 21 1.184 -7.488 -7.737 1.00 0.00 N ATOM 311 CA ARG A 21 2.062 -8.401 -7.011 1.00 0.00 C ATOM 312 C ARG A 21 3.388 -8.606 -7.768 1.00 0.00 C ATOM 313 O ARG A 21 3.383 -9.056 -8.913 1.00 0.00 O ATOM 314 CB ARG A 21 1.310 -9.712 -6.726 1.00 0.00 C ATOM 315 CG ARG A 21 0.918 -10.509 -7.987 1.00 0.00 C ATOM 316 CD ARG A 21 -0.385 -11.292 -7.778 1.00 0.00 C ATOM 317 NE ARG A 21 -0.309 -12.166 -6.594 1.00 0.00 N ATOM 318 CZ ARG A 21 -1.278 -12.400 -5.691 1.00 0.00 C ATOM 319 NH1 ARG A 21 -2.496 -11.855 -5.789 1.00 0.00 N ATOM 320 NH2 ARG A 21 -1.018 -13.198 -4.652 1.00 0.00 N ATOM 0 H ARG A 21 0.290 -7.913 -7.983 1.00 0.00 H new ATOM 0 HA ARG A 21 2.337 -7.970 -6.049 1.00 0.00 H new ATOM 0 HB2 ARG A 21 1.932 -10.343 -6.091 1.00 0.00 H new ATOM 0 HB3 ARG A 21 0.407 -9.483 -6.160 1.00 0.00 H new ATOM 0 HG2 ARG A 21 0.802 -9.826 -8.828 1.00 0.00 H new ATOM 0 HG3 ARG A 21 1.721 -11.200 -8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -1.215 -10.595 -7.663 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -0.594 -11.894 -8.662 1.00 0.00 H new ATOM 0 HE ARG A 21 0.577 -12.647 -6.442 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -2.717 -11.237 -6.570 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -3.204 -12.058 -5.083 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -0.095 -13.620 -4.552 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -1.742 -13.385 -3.959 1.00 0.00 H new ATOM 334 N GLY A 22 4.511 -8.226 -7.140 1.00 0.00 N ATOM 335 CA GLY A 22 5.838 -8.160 -7.750 1.00 0.00 C ATOM 336 C GLY A 22 6.448 -6.750 -7.709 1.00 0.00 C ATOM 337 O GLY A 22 7.659 -6.624 -7.528 1.00 0.00 O ATOM 0 H GLY A 22 4.515 -7.947 -6.159 1.00 0.00 H new ATOM 0 HA2 GLY A 22 6.503 -8.853 -7.235 1.00 0.00 H new ATOM 0 HA3 GLY A 22 5.772 -8.492 -8.786 1.00 0.00 H new ATOM 341 N ASP A 23 5.633 -5.694 -7.889 1.00 0.00 N ATOM 342 CA ASP A 23 6.052 -4.298 -7.949 1.00 0.00 C ATOM 343 C ASP A 23 6.867 -3.877 -6.713 1.00 0.00 C ATOM 344 O ASP A 23 6.651 -4.364 -5.604 1.00 0.00 O ATOM 345 CB ASP A 23 4.811 -3.392 -8.099 1.00 0.00 C ATOM 346 CG ASP A 23 4.014 -3.562 -9.397 1.00 0.00 C ATOM 347 OD1 ASP A 23 4.468 -4.321 -10.280 1.00 0.00 O ATOM 348 OD2 ASP A 23 2.947 -2.914 -9.482 1.00 0.00 O ATOM 0 H ASP A 23 4.625 -5.804 -8.000 1.00 0.00 H new ATOM 0 HA ASP A 23 6.704 -4.186 -8.816 1.00 0.00 H new ATOM 0 HB2 ASP A 23 4.144 -3.580 -7.258 1.00 0.00 H new ATOM 0 HB3 ASP A 23 5.132 -2.353 -8.025 1.00 0.00 H new ATOM 353 N ILE A 24 7.800 -2.945 -6.928 1.00 0.00 N ATOM 354 CA ILE A 24 8.649 -2.343 -5.898 1.00 0.00 C ATOM 355 C ILE A 24 7.939 -1.090 -5.363 1.00 0.00 C ATOM 356 O ILE A 24 8.018 -0.021 -5.968 1.00 0.00 O ATOM 357 CB ILE A 24 10.062 -2.042 -6.457 1.00 0.00 C ATOM 358 CG1 ILE A 24 10.717 -3.334 -6.997 1.00 0.00 C ATOM 359 CG2 ILE A 24 10.946 -1.409 -5.362 1.00 0.00 C ATOM 360 CD1 ILE A 24 12.094 -3.105 -7.636 1.00 0.00 C ATOM 0 H ILE A 24 7.991 -2.576 -7.859 1.00 0.00 H new ATOM 0 HA ILE A 24 8.799 -3.036 -5.070 1.00 0.00 H new ATOM 0 HB ILE A 24 9.966 -1.334 -7.280 1.00 0.00 H new ATOM 0 HG12 ILE A 24 10.819 -4.048 -6.180 1.00 0.00 H new ATOM 0 HG13 ILE A 24 10.054 -3.786 -7.735 1.00 0.00 H new ATOM 0 HG21 ILE A 24 11.936 -1.202 -5.768 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.492 -0.478 -5.021 1.00 0.00 H new ATOM 0 HG23 ILE A 24 11.035 -2.098 -4.522 1.00 0.00 H new ATOM 0 HD11 ILE A 24 12.492 -4.055 -7.992 1.00 0.00 H new ATOM 0 HD12 ILE A 24 11.996 -2.416 -8.475 1.00 0.00 H new ATOM 0 HD13 ILE A 24 12.773 -2.682 -6.896 1.00 0.00 H new ATOM 372 N LEU A 25 7.245 -1.229 -4.225 1.00 0.00 N ATOM 373 CA LEU A 25 6.538 -0.147 -3.543 1.00 0.00 C ATOM 374 C LEU A 25 7.503 0.510 -2.551 1.00 0.00 C ATOM 375 O LEU A 25 7.752 -0.022 -1.468 1.00 0.00 O ATOM 376 CB LEU A 25 5.282 -0.688 -2.833 1.00 0.00 C ATOM 377 CG LEU A 25 4.073 -0.965 -3.752 1.00 0.00 C ATOM 378 CD1 LEU A 25 3.427 0.337 -4.251 1.00 0.00 C ATOM 379 CD2 LEU A 25 4.408 -1.878 -4.934 1.00 0.00 C ATOM 0 H LEU A 25 7.160 -2.124 -3.744 1.00 0.00 H new ATOM 0 HA LEU A 25 6.202 0.598 -4.264 1.00 0.00 H new ATOM 0 HB2 LEU A 25 5.545 -1.612 -2.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.980 0.028 -2.069 1.00 0.00 H new ATOM 0 HG LEU A 25 3.353 -1.498 -3.131 1.00 0.00 H new ATOM 0 HD11 LEU A 25 2.580 0.100 -4.895 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.082 0.922 -3.398 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.160 0.914 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 25 3.515 -2.032 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 25 5.184 -1.414 -5.543 1.00 0.00 H new ATOM 0 HD23 LEU A 25 4.764 -2.839 -4.562 1.00 0.00 H new ATOM 391 N LYS A 26 8.041 1.672 -2.939 1.00 0.00 N ATOM 392 CA LYS A 26 8.972 2.475 -2.155 1.00 0.00 C ATOM 393 C LYS A 26 8.195 3.468 -1.285 1.00 0.00 C ATOM 394 O LYS A 26 7.394 4.243 -1.800 1.00 0.00 O ATOM 395 CB LYS A 26 9.965 3.172 -3.100 1.00 0.00 C ATOM 396 CG LYS A 26 11.040 3.946 -2.321 1.00 0.00 C ATOM 397 CD LYS A 26 12.250 4.255 -3.219 1.00 0.00 C ATOM 398 CE LYS A 26 13.445 4.798 -2.422 1.00 0.00 C ATOM 399 NZ LYS A 26 13.983 3.796 -1.480 1.00 0.00 N ATOM 0 H LYS A 26 7.828 2.091 -3.844 1.00 0.00 H new ATOM 0 HA LYS A 26 9.548 1.840 -1.482 1.00 0.00 H new ATOM 0 HB2 LYS A 26 10.442 2.429 -3.739 1.00 0.00 H new ATOM 0 HB3 LYS A 26 9.426 3.857 -3.755 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.619 4.876 -1.938 1.00 0.00 H new ATOM 0 HG3 LYS A 26 11.361 3.362 -1.458 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.549 3.349 -3.746 1.00 0.00 H new ATOM 0 HD3 LYS A 26 11.961 4.983 -3.977 1.00 0.00 H new ATOM 0 HE2 LYS A 26 14.231 5.106 -3.112 1.00 0.00 H new ATOM 0 HE3 LYS A 26 13.139 5.687 -1.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 14.937 4.080 -1.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.362 3.732 -0.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 14.030 2.869 -1.949 1.00 0.00 H new ATOM 413 N VAL A 27 8.433 3.463 0.032 1.00 0.00 N ATOM 414 CA VAL A 27 7.645 4.223 1.000 1.00 0.00 C ATOM 415 C VAL A 27 8.245 5.621 1.172 1.00 0.00 C ATOM 416 O VAL A 27 9.456 5.784 1.318 1.00 0.00 O ATOM 417 CB VAL A 27 7.557 3.459 2.339 1.00 0.00 C ATOM 418 CG1 VAL A 27 6.976 4.316 3.478 1.00 0.00 C ATOM 419 CG2 VAL A 27 6.658 2.228 2.155 1.00 0.00 C ATOM 0 H VAL A 27 9.188 2.924 0.457 1.00 0.00 H new ATOM 0 HA VAL A 27 6.626 4.342 0.631 1.00 0.00 H new ATOM 0 HB VAL A 27 8.573 3.179 2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 27 6.938 3.726 4.394 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.608 5.190 3.635 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.969 4.639 3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 27 6.591 1.683 3.096 1.00 0.00 H new ATOM 0 HG22 VAL A 27 5.662 2.547 1.849 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.082 1.579 1.389 1.00 0.00 H new ATOM 429 N LEU A 28 7.358 6.624 1.148 1.00 0.00 N ATOM 430 CA LEU A 28 7.681 8.039 1.299 1.00 0.00 C ATOM 431 C LEU A 28 7.510 8.460 2.765 1.00 0.00 C ATOM 432 O LEU A 28 8.442 9.006 3.356 1.00 0.00 O ATOM 433 CB LEU A 28 6.816 8.901 0.360 1.00 0.00 C ATOM 434 CG LEU A 28 6.928 8.549 -1.139 1.00 0.00 C ATOM 435 CD1 LEU A 28 6.067 9.537 -1.943 1.00 0.00 C ATOM 436 CD2 LEU A 28 8.377 8.584 -1.653 1.00 0.00 C ATOM 0 H LEU A 28 6.360 6.461 1.018 1.00 0.00 H new ATOM 0 HA LEU A 28 8.722 8.197 1.017 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.773 8.806 0.663 1.00 0.00 H new ATOM 0 HB3 LEU A 28 7.093 9.947 0.494 1.00 0.00 H new ATOM 0 HG LEU A 28 6.574 7.526 -1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 28 6.137 9.300 -3.005 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.028 9.460 -1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.425 10.553 -1.774 1.00 0.00 H new ATOM 0 HD21 LEU A 28 8.394 8.328 -2.712 1.00 0.00 H new ATOM 0 HD22 LEU A 28 8.788 9.584 -1.515 1.00 0.00 H new ATOM 0 HD23 LEU A 28 8.978 7.865 -1.097 1.00 0.00 H new ATOM 448 N ASN A 29 6.323 8.218 3.346 1.00 0.00 N ATOM 449 CA ASN A 29 6.022 8.546 4.737 1.00 0.00 C ATOM 450 C ASN A 29 4.988 7.583 5.344 1.00 0.00 C ATOM 451 O ASN A 29 3.781 7.773 5.180 1.00 0.00 O ATOM 452 CB ASN A 29 5.591 10.024 4.843 1.00 0.00 C ATOM 453 CG ASN A 29 5.124 10.441 6.236 1.00 0.00 C ATOM 454 OD1 ASN A 29 4.089 11.085 6.383 1.00 0.00 O ATOM 455 ND2 ASN A 29 5.851 10.059 7.278 1.00 0.00 N ATOM 0 H ASN A 29 5.542 7.785 2.853 1.00 0.00 H new ATOM 0 HA ASN A 29 6.927 8.416 5.331 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.428 10.657 4.548 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.786 10.208 4.132 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.553 10.300 8.223 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.708 9.525 7.134 1.00 0.00 H new ATOM 462 N GLU A 30 5.474 6.577 6.083 1.00 0.00 N ATOM 463 CA GLU A 30 4.669 5.693 6.928 1.00 0.00 C ATOM 464 C GLU A 30 4.511 6.270 8.351 1.00 0.00 C ATOM 465 O GLU A 30 3.591 5.875 9.068 1.00 0.00 O ATOM 466 CB GLU A 30 5.260 4.274 6.956 1.00 0.00 C ATOM 467 CG GLU A 30 6.706 4.180 7.470 1.00 0.00 C ATOM 468 CD GLU A 30 7.177 2.724 7.519 1.00 0.00 C ATOM 469 OE1 GLU A 30 6.688 1.995 8.410 1.00 0.00 O ATOM 470 OE2 GLU A 30 8.007 2.357 6.659 1.00 0.00 O ATOM 0 H GLU A 30 6.468 6.351 6.108 1.00 0.00 H new ATOM 0 HA GLU A 30 3.672 5.628 6.493 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.627 3.646 7.582 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.222 3.861 5.948 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.365 4.757 6.821 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.772 4.621 8.465 1.00 0.00 H new ATOM 477 N GLU A 31 5.390 7.208 8.750 1.00 0.00 N ATOM 478 CA GLU A 31 5.408 7.903 10.035 1.00 0.00 C ATOM 479 C GLU A 31 4.249 8.905 10.079 1.00 0.00 C ATOM 480 O GLU A 31 4.418 10.110 9.896 1.00 0.00 O ATOM 481 CB GLU A 31 6.782 8.555 10.285 1.00 0.00 C ATOM 482 CG GLU A 31 7.933 7.547 10.102 1.00 0.00 C ATOM 483 CD GLU A 31 8.418 7.357 8.656 1.00 0.00 C ATOM 484 OE1 GLU A 31 7.861 8.014 7.746 1.00 0.00 O ATOM 485 OE2 GLU A 31 9.349 6.542 8.483 1.00 0.00 O ATOM 0 H GLU A 31 6.149 7.514 8.142 1.00 0.00 H new ATOM 0 HA GLU A 31 5.263 7.193 10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.918 9.391 9.599 1.00 0.00 H new ATOM 0 HB3 GLU A 31 6.813 8.963 11.295 1.00 0.00 H new ATOM 0 HG2 GLU A 31 8.777 7.870 10.711 1.00 0.00 H new ATOM 0 HG3 GLU A 31 7.612 6.580 10.490 1.00 0.00 H new ATOM 492 N SER A 32 3.057 8.340 10.275 1.00 0.00 N ATOM 493 CA SER A 32 1.750 8.979 10.164 1.00 0.00 C ATOM 494 C SER A 32 0.695 8.036 10.753 1.00 0.00 C ATOM 495 O SER A 32 0.006 8.387 11.711 1.00 0.00 O ATOM 496 CB SER A 32 1.475 9.327 8.690 1.00 0.00 C ATOM 497 OG SER A 32 0.208 9.927 8.522 1.00 0.00 O ATOM 0 H SER A 32 2.976 7.356 10.533 1.00 0.00 H new ATOM 0 HA SER A 32 1.717 9.913 10.725 1.00 0.00 H new ATOM 0 HB2 SER A 32 2.249 10.003 8.325 1.00 0.00 H new ATOM 0 HB3 SER A 32 1.532 8.422 8.086 1.00 0.00 H new ATOM 0 HG SER A 32 0.236 10.543 7.760 1.00 0.00 H new ATOM 503 N ASP A 33 0.623 6.820 10.196 1.00 0.00 N ATOM 504 CA ASP A 33 -0.144 5.693 10.716 1.00 0.00 C ATOM 505 C ASP A 33 0.362 4.363 10.127 1.00 0.00 C ATOM 506 O ASP A 33 0.817 4.306 8.983 1.00 0.00 O ATOM 507 CB ASP A 33 -1.654 5.891 10.494 1.00 0.00 C ATOM 508 CG ASP A 33 -2.077 5.798 9.027 1.00 0.00 C ATOM 509 OD1 ASP A 33 -1.918 6.812 8.315 1.00 0.00 O ATOM 510 OD2 ASP A 33 -2.605 4.725 8.659 1.00 0.00 O ATOM 0 H ASP A 33 1.120 6.591 9.335 1.00 0.00 H new ATOM 0 HA ASP A 33 0.011 5.647 11.794 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -2.198 5.141 11.068 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -1.945 6.866 10.886 1.00 0.00 H new ATOM 515 N GLN A 34 0.263 3.290 10.923 1.00 0.00 N ATOM 516 CA GLN A 34 0.669 1.935 10.554 1.00 0.00 C ATOM 517 C GLN A 34 -0.254 1.321 9.486 1.00 0.00 C ATOM 518 O GLN A 34 0.231 0.631 8.592 1.00 0.00 O ATOM 519 CB GLN A 34 0.757 1.073 11.830 1.00 0.00 C ATOM 520 CG GLN A 34 1.018 -0.427 11.587 1.00 0.00 C ATOM 521 CD GLN A 34 2.221 -0.725 10.686 1.00 0.00 C ATOM 522 OE1 GLN A 34 3.227 -0.020 10.705 1.00 0.00 O ATOM 523 NE2 GLN A 34 2.132 -1.782 9.880 1.00 0.00 N ATOM 0 H GLN A 34 -0.114 3.347 11.869 1.00 0.00 H new ATOM 0 HA GLN A 34 1.655 1.972 10.090 1.00 0.00 H new ATOM 0 HB2 GLN A 34 1.553 1.467 12.462 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -0.174 1.179 12.387 1.00 0.00 H new ATOM 0 HG2 GLN A 34 1.170 -0.917 12.549 1.00 0.00 H new ATOM 0 HG3 GLN A 34 0.128 -0.870 11.141 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.287 -2.354 9.880 1.00 0.00 H new ATOM 0 HE22 GLN A 34 2.908 -2.019 9.263 1.00 0.00 H new ATOM 532 N ASN A 35 -1.573 1.551 9.584 1.00 0.00 N ATOM 533 CA ASN A 35 -2.599 0.970 8.714 1.00 0.00 C ATOM 534 C ASN A 35 -2.337 1.238 7.221 1.00 0.00 C ATOM 535 O ASN A 35 -2.251 0.295 6.432 1.00 0.00 O ATOM 536 CB ASN A 35 -3.991 1.482 9.126 1.00 0.00 C ATOM 537 CG ASN A 35 -4.332 1.172 10.583 1.00 0.00 C ATOM 538 OD1 ASN A 35 -4.207 2.024 11.459 1.00 0.00 O ATOM 539 ND2 ASN A 35 -4.768 -0.057 10.844 1.00 0.00 N ATOM 0 H ASN A 35 -1.964 2.168 10.296 1.00 0.00 H new ATOM 0 HA ASN A 35 -2.558 -0.111 8.844 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -4.037 2.560 8.969 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -4.744 1.033 8.478 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.012 -0.320 11.799 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -4.858 -0.737 10.089 1.00 0.00 H new ATOM 546 N TRP A 36 -2.232 2.523 6.849 1.00 0.00 N ATOM 547 CA TRP A 36 -2.083 3.003 5.478 1.00 0.00 C ATOM 548 C TRP A 36 -0.788 3.817 5.333 1.00 0.00 C ATOM 549 O TRP A 36 -0.661 4.902 5.899 1.00 0.00 O ATOM 550 CB TRP A 36 -3.312 3.838 5.092 1.00 0.00 C ATOM 551 CG TRP A 36 -4.577 3.062 4.864 1.00 0.00 C ATOM 552 CD1 TRP A 36 -5.560 2.856 5.769 1.00 0.00 C ATOM 553 CD2 TRP A 36 -5.027 2.416 3.636 1.00 0.00 C ATOM 554 NE1 TRP A 36 -6.599 2.161 5.183 1.00 0.00 N ATOM 555 CE2 TRP A 36 -6.338 1.892 3.856 1.00 0.00 C ATOM 556 CE3 TRP A 36 -4.470 2.238 2.347 1.00 0.00 C ATOM 557 CZ2 TRP A 36 -7.075 1.265 2.834 1.00 0.00 C ATOM 558 CZ3 TRP A 36 -5.205 1.627 1.309 1.00 0.00 C ATOM 559 CH2 TRP A 36 -6.507 1.141 1.552 1.00 0.00 C ATOM 0 H TRP A 36 -2.250 3.283 7.529 1.00 0.00 H new ATOM 0 HA TRP A 36 -2.015 2.152 4.800 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -3.493 4.571 5.878 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -3.080 4.395 4.184 1.00 0.00 H new ATOM 0 HD1 TRP A 36 -5.536 3.186 6.797 1.00 0.00 H new ATOM 0 HE1 TRP A 36 -7.451 1.882 5.670 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -3.463 2.576 2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 -8.066 0.883 3.031 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -4.769 1.531 0.325 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -7.067 0.674 0.755 1.00 0.00 H new ATOM 570 N TYR A 37 0.157 3.298 4.538 1.00 0.00 N ATOM 571 CA TYR A 37 1.438 3.924 4.222 1.00 0.00 C ATOM 572 C TYR A 37 1.314 4.805 2.977 1.00 0.00 C ATOM 573 O TYR A 37 0.725 4.382 1.983 1.00 0.00 O ATOM 574 CB TYR A 37 2.484 2.830 3.951 1.00 0.00 C ATOM 575 CG TYR A 37 2.680 1.797 5.047 1.00 0.00 C ATOM 576 CD1 TYR A 37 2.696 2.190 6.402 1.00 0.00 C ATOM 577 CD2 TYR A 37 2.991 0.463 4.701 1.00 0.00 C ATOM 578 CE1 TYR A 37 3.148 1.294 7.393 1.00 0.00 C ATOM 579 CE2 TYR A 37 3.419 -0.443 5.697 1.00 0.00 C ATOM 580 CZ TYR A 37 3.544 -0.011 7.035 1.00 0.00 C ATOM 581 OH TYR A 37 4.060 -0.848 7.980 1.00 0.00 O ATOM 0 H TYR A 37 0.041 2.393 4.081 1.00 0.00 H new ATOM 0 HA TYR A 37 1.742 4.541 5.068 1.00 0.00 H new ATOM 0 HB2 TYR A 37 2.204 2.308 3.036 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.443 3.313 3.761 1.00 0.00 H new ATOM 0 HD1 TYR A 37 2.362 3.178 6.681 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.902 0.136 3.676 1.00 0.00 H new ATOM 0 HE1 TYR A 37 3.191 1.607 8.426 1.00 0.00 H new ATOM 0 HE2 TYR A 37 3.650 -1.465 5.435 1.00 0.00 H new ATOM 0 HH TYR A 37 4.009 -1.773 7.660 1.00 0.00 H new ATOM 591 N LYS A 38 1.924 5.998 3.004 1.00 0.00 N ATOM 592 CA LYS A 38 2.007 6.873 1.839 1.00 0.00 C ATOM 593 C LYS A 38 3.288 6.523 1.070 1.00 0.00 C ATOM 594 O LYS A 38 4.394 6.720 1.579 1.00 0.00 O ATOM 595 CB LYS A 38 1.943 8.350 2.262 1.00 0.00 C ATOM 596 CG LYS A 38 0.594 8.665 2.932 1.00 0.00 C ATOM 597 CD LYS A 38 0.441 10.140 3.338 1.00 0.00 C ATOM 598 CE LYS A 38 1.529 10.648 4.296 1.00 0.00 C ATOM 599 NZ LYS A 38 1.694 9.783 5.479 1.00 0.00 N ATOM 0 H LYS A 38 2.372 6.379 3.837 1.00 0.00 H new ATOM 0 HA LYS A 38 1.155 6.719 1.177 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.758 8.572 2.951 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.080 8.990 1.390 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.213 8.399 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 38 0.482 8.039 3.817 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.450 10.755 2.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -0.533 10.276 3.808 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.477 10.711 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.279 11.658 4.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 2.391 10.207 6.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 0.782 9.687 5.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.026 8.844 5.179 1.00 0.00 H new ATOM 613 N ALA A 39 3.119 5.956 -0.135 1.00 0.00 N ATOM 614 CA ALA A 39 4.182 5.351 -0.933 1.00 0.00 C ATOM 615 C ALA A 39 4.126 5.735 -2.423 1.00 0.00 C ATOM 616 O ALA A 39 3.219 6.430 -2.884 1.00 0.00 O ATOM 617 CB ALA A 39 4.104 3.829 -0.745 1.00 0.00 C ATOM 0 H ALA A 39 2.207 5.908 -0.590 1.00 0.00 H new ATOM 0 HA ALA A 39 5.139 5.736 -0.582 1.00 0.00 H new ATOM 0 HB1 ALA A 39 4.888 3.349 -1.331 1.00 0.00 H new ATOM 0 HB2 ALA A 39 4.238 3.585 0.309 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.130 3.471 -1.079 1.00 0.00 H new ATOM 623 N GLU A 40 5.145 5.257 -3.146 1.00 0.00 N ATOM 624 CA GLU A 40 5.528 5.566 -4.515 1.00 0.00 C ATOM 625 C GLU A 40 5.797 4.246 -5.251 1.00 0.00 C ATOM 626 O GLU A 40 6.717 3.512 -4.887 1.00 0.00 O ATOM 627 CB GLU A 40 6.806 6.425 -4.453 1.00 0.00 C ATOM 628 CG GLU A 40 7.407 6.762 -5.827 1.00 0.00 C ATOM 629 CD GLU A 40 8.707 7.559 -5.694 1.00 0.00 C ATOM 630 OE1 GLU A 40 9.699 6.954 -5.228 1.00 0.00 O ATOM 631 OE2 GLU A 40 8.695 8.756 -6.056 1.00 0.00 O ATOM 0 H GLU A 40 5.783 4.574 -2.738 1.00 0.00 H new ATOM 0 HA GLU A 40 4.746 6.109 -5.045 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.580 7.354 -3.930 1.00 0.00 H new ATOM 0 HB3 GLU A 40 7.555 5.899 -3.861 1.00 0.00 H new ATOM 0 HG2 GLU A 40 7.599 5.840 -6.376 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.686 7.336 -6.409 1.00 0.00 H new ATOM 638 N LEU A 41 5.013 3.944 -6.297 1.00 0.00 N ATOM 639 CA LEU A 41 5.238 2.812 -7.181 1.00 0.00 C ATOM 640 C LEU A 41 6.477 3.080 -8.054 1.00 0.00 C ATOM 641 O LEU A 41 7.541 2.516 -7.813 1.00 0.00 O ATOM 642 CB LEU A 41 3.950 2.563 -7.997 1.00 0.00 C ATOM 643 CG LEU A 41 3.782 1.091 -8.379 1.00 0.00 C ATOM 644 CD1 LEU A 41 2.430 0.885 -9.074 1.00 0.00 C ATOM 645 CD2 LEU A 41 4.916 0.557 -9.267 1.00 0.00 C ATOM 0 H LEU A 41 4.193 4.495 -6.549 1.00 0.00 H new ATOM 0 HA LEU A 41 5.449 1.901 -6.620 1.00 0.00 H new ATOM 0 HB2 LEU A 41 3.086 2.887 -7.416 1.00 0.00 H new ATOM 0 HB3 LEU A 41 3.972 3.171 -8.901 1.00 0.00 H new ATOM 0 HG LEU A 41 3.822 0.521 -7.451 1.00 0.00 H new ATOM 0 HD11 LEU A 41 2.316 -0.165 -9.344 1.00 0.00 H new ATOM 0 HD12 LEU A 41 1.626 1.176 -8.398 1.00 0.00 H new ATOM 0 HD13 LEU A 41 2.387 1.498 -9.974 1.00 0.00 H new ATOM 0 HD21 LEU A 41 4.733 -0.492 -9.499 1.00 0.00 H new ATOM 0 HD22 LEU A 41 4.955 1.132 -10.192 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.866 0.651 -8.740 1.00 0.00 H new ATOM 657 N ASN A 42 6.315 3.966 -9.045 1.00 0.00 N ATOM 658 CA ASN A 42 7.299 4.459 -10.001 1.00 0.00 C ATOM 659 C ASN A 42 6.703 5.678 -10.723 1.00 0.00 C ATOM 660 O ASN A 42 7.254 6.777 -10.672 1.00 0.00 O ATOM 661 CB ASN A 42 7.715 3.376 -11.023 1.00 0.00 C ATOM 662 CG ASN A 42 8.650 2.306 -10.458 1.00 0.00 C ATOM 663 OD1 ASN A 42 9.775 2.602 -10.064 1.00 0.00 O ATOM 664 ND2 ASN A 42 8.201 1.052 -10.429 1.00 0.00 N ATOM 0 H ASN A 42 5.403 4.392 -9.208 1.00 0.00 H new ATOM 0 HA ASN A 42 8.203 4.739 -9.460 1.00 0.00 H new ATOM 0 HB2 ASN A 42 6.817 2.892 -11.408 1.00 0.00 H new ATOM 0 HB3 ASN A 42 8.204 3.859 -11.869 1.00 0.00 H new ATOM 0 HD21 ASN A 42 8.797 0.305 -10.072 1.00 0.00 H new ATOM 0 HD22 ASN A 42 7.261 0.839 -10.764 1.00 0.00 H new ATOM 671 N GLY A 43 5.566 5.458 -11.395 1.00 0.00 N ATOM 672 CA GLY A 43 4.822 6.449 -12.166 1.00 0.00 C ATOM 673 C GLY A 43 3.900 7.341 -11.318 1.00 0.00 C ATOM 674 O GLY A 43 3.711 8.506 -11.664 1.00 0.00 O ATOM 0 H GLY A 43 5.123 4.539 -11.414 1.00 0.00 H new ATOM 0 HA2 GLY A 43 5.529 7.082 -12.702 1.00 0.00 H new ATOM 0 HA3 GLY A 43 4.222 5.934 -12.916 1.00 0.00 H new ATOM 678 N LYS A 44 3.298 6.798 -10.245 1.00 0.00 N ATOM 679 CA LYS A 44 2.297 7.483 -9.419 1.00 0.00 C ATOM 680 C LYS A 44 2.397 7.098 -7.929 1.00 0.00 C ATOM 681 O LYS A 44 3.096 6.149 -7.562 1.00 0.00 O ATOM 682 CB LYS A 44 0.890 7.234 -10.000 1.00 0.00 C ATOM 683 CG LYS A 44 0.395 5.801 -9.750 1.00 0.00 C ATOM 684 CD LYS A 44 -0.897 5.496 -10.526 1.00 0.00 C ATOM 685 CE LYS A 44 -1.548 4.180 -10.071 1.00 0.00 C ATOM 686 NZ LYS A 44 -0.620 3.036 -10.159 1.00 0.00 N ATOM 0 H LYS A 44 3.500 5.851 -9.924 1.00 0.00 H new ATOM 0 HA LYS A 44 2.499 8.554 -9.451 1.00 0.00 H new ATOM 0 HB2 LYS A 44 0.187 7.940 -9.557 1.00 0.00 H new ATOM 0 HB3 LYS A 44 0.904 7.428 -11.072 1.00 0.00 H new ATOM 0 HG2 LYS A 44 1.170 5.093 -10.043 1.00 0.00 H new ATOM 0 HG3 LYS A 44 0.220 5.658 -8.684 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -1.603 6.315 -10.390 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -0.675 5.441 -11.592 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -1.895 4.285 -9.043 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -2.426 3.981 -10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -1.034 2.215 -9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -0.454 2.800 -11.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 0.283 3.286 -9.708 1.00 0.00 H new ATOM 700 N ASP A 45 1.674 7.851 -7.085 1.00 0.00 N ATOM 701 CA ASP A 45 1.757 7.827 -5.623 1.00 0.00 C ATOM 702 C ASP A 45 0.360 7.749 -4.979 1.00 0.00 C ATOM 703 O ASP A 45 -0.616 8.254 -5.535 1.00 0.00 O ATOM 704 CB ASP A 45 2.474 9.105 -5.149 1.00 0.00 C ATOM 705 CG ASP A 45 3.847 9.291 -5.796 1.00 0.00 C ATOM 706 OD1 ASP A 45 3.885 9.880 -6.899 1.00 0.00 O ATOM 707 OD2 ASP A 45 4.831 8.838 -5.177 1.00 0.00 O ATOM 0 H ASP A 45 0.985 8.523 -7.423 1.00 0.00 H new ATOM 0 HA ASP A 45 2.313 6.940 -5.319 1.00 0.00 H new ATOM 0 HB2 ASP A 45 1.851 9.970 -5.375 1.00 0.00 H new ATOM 0 HB3 ASP A 45 2.590 9.070 -4.066 1.00 0.00 H new ATOM 712 N GLY A 46 0.272 7.132 -3.790 1.00 0.00 N ATOM 713 CA GLY A 46 -0.955 7.082 -2.993 1.00 0.00 C ATOM 714 C GLY A 46 -0.837 6.202 -1.739 1.00 0.00 C ATOM 715 O GLY A 46 0.265 5.886 -1.290 1.00 0.00 O ATOM 0 H GLY A 46 1.059 6.651 -3.355 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -1.225 8.094 -2.692 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.768 6.707 -3.615 1.00 0.00 H new ATOM 719 N PHE A 47 -1.991 5.800 -1.182 1.00 0.00 N ATOM 720 CA PHE A 47 -2.106 5.032 0.063 1.00 0.00 C ATOM 721 C PHE A 47 -2.081 3.514 -0.204 1.00 0.00 C ATOM 722 O PHE A 47 -2.705 3.038 -1.151 1.00 0.00 O ATOM 723 CB PHE A 47 -3.393 5.437 0.802 1.00 0.00 C ATOM 724 CG PHE A 47 -3.458 6.893 1.232 1.00 0.00 C ATOM 725 CD1 PHE A 47 -2.937 7.287 2.486 1.00 0.00 C ATOM 726 CD2 PHE A 47 -4.064 7.856 0.393 1.00 0.00 C ATOM 727 CE1 PHE A 47 -3.041 8.629 2.907 1.00 0.00 C ATOM 728 CE2 PHE A 47 -4.147 9.203 0.804 1.00 0.00 C ATOM 729 CZ PHE A 47 -3.638 9.590 2.063 1.00 0.00 C ATOM 0 H PHE A 47 -2.897 6.009 -1.601 1.00 0.00 H new ATOM 0 HA PHE A 47 -1.245 5.262 0.691 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -4.246 5.226 0.157 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -3.499 4.808 1.686 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -2.458 6.558 3.123 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -4.465 7.560 -0.565 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -2.664 8.922 3.876 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -4.600 9.938 0.156 1.00 0.00 H new ATOM 0 HZ PHE A 47 -3.705 10.620 2.380 1.00 0.00 H new ATOM 739 N ILE A 48 -1.351 2.759 0.634 1.00 0.00 N ATOM 740 CA ILE A 48 -1.050 1.334 0.483 1.00 0.00 C ATOM 741 C ILE A 48 -1.346 0.590 1.801 1.00 0.00 C ATOM 742 O ILE A 48 -0.793 0.980 2.830 1.00 0.00 O ATOM 743 CB ILE A 48 0.440 1.177 0.097 1.00 0.00 C ATOM 744 CG1 ILE A 48 0.867 -0.300 0.130 1.00 0.00 C ATOM 745 CG2 ILE A 48 0.721 1.865 -1.249 1.00 0.00 C ATOM 746 CD1 ILE A 48 2.124 -0.603 -0.693 1.00 0.00 C ATOM 0 H ILE A 48 -0.935 3.152 1.478 1.00 0.00 H new ATOM 0 HA ILE A 48 -1.675 0.904 -0.300 1.00 0.00 H new ATOM 0 HB ILE A 48 1.057 1.682 0.840 1.00 0.00 H new ATOM 0 HG12 ILE A 48 1.043 -0.594 1.165 1.00 0.00 H new ATOM 0 HG13 ILE A 48 0.046 -0.914 -0.240 1.00 0.00 H new ATOM 0 HG21 ILE A 48 1.773 1.745 -1.506 1.00 0.00 H new ATOM 0 HG22 ILE A 48 0.104 1.412 -2.025 1.00 0.00 H new ATOM 0 HG23 ILE A 48 0.485 2.926 -1.171 1.00 0.00 H new ATOM 0 HD11 ILE A 48 2.360 -1.665 -0.619 1.00 0.00 H new ATOM 0 HD12 ILE A 48 1.947 -0.342 -1.737 1.00 0.00 H new ATOM 0 HD13 ILE A 48 2.960 -0.018 -0.309 1.00 0.00 H new ATOM 758 N PRO A 49 -2.150 -0.496 1.806 1.00 0.00 N ATOM 759 CA PRO A 49 -2.353 -1.330 2.991 1.00 0.00 C ATOM 760 C PRO A 49 -1.048 -1.976 3.485 1.00 0.00 C ATOM 761 O PRO A 49 -0.290 -2.529 2.687 1.00 0.00 O ATOM 762 CB PRO A 49 -3.352 -2.423 2.582 1.00 0.00 C ATOM 763 CG PRO A 49 -4.058 -1.835 1.367 1.00 0.00 C ATOM 764 CD PRO A 49 -2.955 -1.008 0.704 1.00 0.00 C ATOM 0 HA PRO A 49 -2.721 -0.717 3.814 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.845 -3.357 2.337 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -4.055 -2.643 3.385 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -4.436 -2.612 0.703 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -4.910 -1.218 1.653 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -2.356 -1.619 0.029 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -3.374 -0.195 0.111 1.00 0.00 H new ATOM 772 N LYS A 50 -0.827 -1.962 4.807 1.00 0.00 N ATOM 773 CA LYS A 50 0.243 -2.705 5.479 1.00 0.00 C ATOM 774 C LYS A 50 0.272 -4.200 5.096 1.00 0.00 C ATOM 775 O LYS A 50 1.343 -4.774 4.902 1.00 0.00 O ATOM 776 CB LYS A 50 0.124 -2.513 7.004 1.00 0.00 C ATOM 777 CG LYS A 50 -1.194 -3.033 7.607 1.00 0.00 C ATOM 778 CD LYS A 50 -1.247 -2.798 9.123 1.00 0.00 C ATOM 779 CE LYS A 50 -2.634 -3.095 9.715 1.00 0.00 C ATOM 780 NZ LYS A 50 -3.038 -4.501 9.521 1.00 0.00 N ATOM 0 H LYS A 50 -1.402 -1.420 5.452 1.00 0.00 H new ATOM 0 HA LYS A 50 1.195 -2.298 5.138 1.00 0.00 H new ATOM 0 HB2 LYS A 50 0.957 -3.022 7.489 1.00 0.00 H new ATOM 0 HB3 LYS A 50 0.221 -1.452 7.234 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -2.037 -2.533 7.130 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -1.296 -4.098 7.398 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.504 -3.428 9.612 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.978 -1.764 9.337 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -2.628 -2.865 10.780 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -3.372 -2.440 9.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.922 -4.683 10.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -3.185 -4.683 8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -2.292 -5.129 9.881 1.00 0.00 H new ATOM 794 N ASN A 51 -0.911 -4.823 4.989 1.00 0.00 N ATOM 795 CA ASN A 51 -1.107 -6.247 4.717 1.00 0.00 C ATOM 796 C ASN A 51 -0.658 -6.655 3.303 1.00 0.00 C ATOM 797 O ASN A 51 -0.095 -7.736 3.130 1.00 0.00 O ATOM 798 CB ASN A 51 -2.590 -6.603 4.930 1.00 0.00 C ATOM 799 CG ASN A 51 -3.044 -6.392 6.374 1.00 0.00 C ATOM 800 OD1 ASN A 51 -3.539 -5.327 6.735 1.00 0.00 O ATOM 801 ND2 ASN A 51 -2.874 -7.412 7.214 1.00 0.00 N ATOM 0 H ASN A 51 -1.793 -4.322 5.095 1.00 0.00 H new ATOM 0 HA ASN A 51 -0.479 -6.805 5.412 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -3.205 -5.994 4.267 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -2.754 -7.644 4.650 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -3.158 -7.322 8.189 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -2.460 -8.283 6.882 1.00 0.00 H new ATOM 808 N TYR A 52 -0.940 -5.819 2.291 1.00 0.00 N ATOM 809 CA TYR A 52 -0.775 -6.150 0.874 1.00 0.00 C ATOM 810 C TYR A 52 0.692 -6.262 0.414 1.00 0.00 C ATOM 811 O TYR A 52 0.955 -6.924 -0.592 1.00 0.00 O ATOM 812 CB TYR A 52 -1.580 -5.164 -0.002 1.00 0.00 C ATOM 813 CG TYR A 52 -3.056 -5.512 -0.183 1.00 0.00 C ATOM 814 CD1 TYR A 52 -3.884 -5.733 0.942 1.00 0.00 C ATOM 815 CD2 TYR A 52 -3.585 -5.722 -1.481 1.00 0.00 C ATOM 816 CE1 TYR A 52 -5.221 -6.145 0.775 1.00 0.00 C ATOM 817 CE2 TYR A 52 -4.924 -6.135 -1.646 1.00 0.00 C ATOM 818 CZ TYR A 52 -5.742 -6.350 -0.518 1.00 0.00 C ATOM 819 OH TYR A 52 -7.034 -6.757 -0.676 1.00 0.00 O ATOM 0 H TYR A 52 -1.296 -4.875 2.442 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.179 -7.154 0.744 1.00 0.00 H new ATOM 0 HB2 TYR A 52 -1.509 -4.170 0.439 1.00 0.00 H new ATOM 0 HB3 TYR A 52 -1.112 -5.111 -0.985 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -3.489 -5.585 1.936 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -2.960 -5.565 -2.348 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -5.848 -6.304 1.640 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -5.323 -6.287 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 52 -7.233 -6.850 -1.631 1.00 0.00 H new ATOM 829 N ILE A 53 1.634 -5.629 1.130 1.00 0.00 N ATOM 830 CA ILE A 53 3.063 -5.601 0.808 1.00 0.00 C ATOM 831 C ILE A 53 3.874 -6.442 1.812 1.00 0.00 C ATOM 832 O ILE A 53 3.473 -6.602 2.966 1.00 0.00 O ATOM 833 CB ILE A 53 3.536 -4.126 0.739 1.00 0.00 C ATOM 834 CG1 ILE A 53 3.927 -3.560 2.120 1.00 0.00 C ATOM 835 CG2 ILE A 53 4.678 -3.964 -0.277 1.00 0.00 C ATOM 836 CD1 ILE A 53 4.077 -2.034 2.144 1.00 0.00 C ATOM 0 H ILE A 53 1.411 -5.106 1.977 1.00 0.00 H new ATOM 0 HA ILE A 53 3.233 -6.057 -0.168 1.00 0.00 H new ATOM 0 HB ILE A 53 2.686 -3.537 0.396 1.00 0.00 H new ATOM 0 HG12 ILE A 53 3.172 -3.853 2.849 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.867 -4.013 2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.993 -2.921 -0.307 1.00 0.00 H new ATOM 0 HG22 ILE A 53 5.520 -4.589 0.020 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.332 -4.268 -1.265 1.00 0.00 H new ATOM 0 HD11 ILE A 53 4.353 -1.711 3.148 1.00 0.00 H new ATOM 0 HD12 ILE A 53 4.853 -1.734 1.440 1.00 0.00 H new ATOM 0 HD13 ILE A 53 3.132 -1.571 1.861 1.00 0.00 H new ATOM 848 N GLU A 54 5.040 -6.945 1.382 1.00 0.00 N ATOM 849 CA GLU A 54 6.015 -7.626 2.231 1.00 0.00 C ATOM 850 C GLU A 54 6.849 -6.583 2.999 1.00 0.00 C ATOM 851 O GLU A 54 8.043 -6.409 2.756 1.00 0.00 O ATOM 852 CB GLU A 54 6.874 -8.576 1.373 1.00 0.00 C ATOM 853 CG GLU A 54 7.730 -9.526 2.235 1.00 0.00 C ATOM 854 CD GLU A 54 6.921 -10.469 3.133 1.00 0.00 C ATOM 855 OE1 GLU A 54 5.827 -10.892 2.698 1.00 0.00 O ATOM 856 OE2 GLU A 54 7.413 -10.757 4.247 1.00 0.00 O ATOM 0 H GLU A 54 5.334 -6.885 0.407 1.00 0.00 H new ATOM 0 HA GLU A 54 5.512 -8.241 2.977 1.00 0.00 H new ATOM 0 HB2 GLU A 54 6.225 -9.163 0.724 1.00 0.00 H new ATOM 0 HB3 GLU A 54 7.526 -7.989 0.726 1.00 0.00 H new ATOM 0 HG2 GLU A 54 8.362 -10.123 1.578 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.395 -8.930 2.860 1.00 0.00 H new ATOM 863 N MET A 55 6.191 -5.874 3.926 1.00 0.00 N ATOM 864 CA MET A 55 6.770 -4.806 4.745 1.00 0.00 C ATOM 865 C MET A 55 7.900 -5.301 5.664 1.00 0.00 C ATOM 866 O MET A 55 8.866 -4.576 5.900 1.00 0.00 O ATOM 867 CB MET A 55 5.665 -4.076 5.535 1.00 0.00 C ATOM 868 CG MET A 55 4.811 -4.987 6.432 1.00 0.00 C ATOM 869 SD MET A 55 3.611 -4.102 7.461 1.00 0.00 S ATOM 870 CE MET A 55 2.704 -5.504 8.161 1.00 0.00 C ATOM 0 H MET A 55 5.205 -6.036 4.132 1.00 0.00 H new ATOM 0 HA MET A 55 7.236 -4.093 4.065 1.00 0.00 H new ATOM 0 HB2 MET A 55 6.127 -3.308 6.155 1.00 0.00 H new ATOM 0 HB3 MET A 55 5.010 -3.565 4.830 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.278 -5.700 5.804 1.00 0.00 H new ATOM 0 HG3 MET A 55 5.472 -5.564 7.079 1.00 0.00 H new ATOM 0 HE1 MET A 55 1.921 -5.136 8.824 1.00 0.00 H new ATOM 0 HE2 MET A 55 2.254 -6.085 7.356 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.390 -6.136 8.725 1.00 0.00 H new ATOM 937 N PRO B 3 -6.173 -11.394 2.550 1.00 0.00 N ATOM 938 CA PRO B 3 -5.440 -10.260 3.109 1.00 0.00 C ATOM 939 C PRO B 3 -6.387 -9.052 3.272 1.00 0.00 C ATOM 940 O PRO B 3 -6.962 -8.603 2.280 1.00 0.00 O ATOM 941 CB PRO B 3 -4.301 -9.980 2.117 1.00 0.00 C ATOM 942 CG PRO B 3 -4.853 -10.488 0.784 1.00 0.00 C ATOM 943 CD PRO B 3 -5.716 -11.681 1.197 1.00 0.00 C ATOM 0 HA PRO B 3 -5.038 -10.463 4.102 1.00 0.00 H new ATOM 0 HB2 PRO B 3 -4.060 -8.918 2.073 1.00 0.00 H new ATOM 0 HB3 PRO B 3 -3.387 -10.503 2.398 1.00 0.00 H new ATOM 0 HG2 PRO B 3 -5.439 -9.724 0.273 1.00 0.00 H new ATOM 0 HG3 PRO B 3 -4.054 -10.785 0.104 1.00 0.00 H new ATOM 0 HD2 PRO B 3 -6.560 -11.806 0.518 1.00 0.00 H new ATOM 0 HD3 PRO B 3 -5.142 -12.607 1.167 1.00 0.00 H new ATOM 951 N PRO B 4 -6.593 -8.534 4.501 1.00 0.00 N ATOM 952 CA PRO B 4 -7.587 -7.502 4.782 1.00 0.00 C ATOM 953 C PRO B 4 -7.093 -6.099 4.386 1.00 0.00 C ATOM 954 O PRO B 4 -5.893 -5.822 4.401 1.00 0.00 O ATOM 955 CB PRO B 4 -7.843 -7.600 6.291 1.00 0.00 C ATOM 956 CG PRO B 4 -6.479 -8.029 6.832 1.00 0.00 C ATOM 957 CD PRO B 4 -5.966 -8.974 5.742 1.00 0.00 C ATOM 0 HA PRO B 4 -8.496 -7.655 4.200 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -8.164 -6.647 6.711 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.619 -8.329 6.524 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -5.814 -7.177 6.975 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -6.565 -8.531 7.795 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -4.879 -8.930 5.667 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -6.228 -10.008 5.967 1.00 0.00 H new ATOM 965 N VAL B 5 -8.045 -5.211 4.062 1.00 0.00 N ATOM 966 CA VAL B 5 -7.826 -3.794 3.775 1.00 0.00 C ATOM 967 C VAL B 5 -8.292 -2.985 5.004 1.00 0.00 C ATOM 968 O VAL B 5 -9.491 -2.976 5.288 1.00 0.00 O ATOM 969 CB VAL B 5 -8.610 -3.403 2.499 1.00 0.00 C ATOM 970 CG1 VAL B 5 -8.473 -1.902 2.199 1.00 0.00 C ATOM 971 CG2 VAL B 5 -8.115 -4.194 1.275 1.00 0.00 C ATOM 0 H VAL B 5 -9.027 -5.476 3.991 1.00 0.00 H new ATOM 0 HA VAL B 5 -6.773 -3.583 3.590 1.00 0.00 H new ATOM 0 HB VAL B 5 -9.656 -3.643 2.688 1.00 0.00 H new ATOM 0 HG11 VAL B 5 -9.035 -1.658 1.297 1.00 0.00 H new ATOM 0 HG12 VAL B 5 -8.865 -1.326 3.037 1.00 0.00 H new ATOM 0 HG13 VAL B 5 -7.422 -1.655 2.050 1.00 0.00 H new ATOM 0 HG21 VAL B 5 -8.685 -3.897 0.395 1.00 0.00 H new ATOM 0 HG22 VAL B 5 -7.058 -3.985 1.110 1.00 0.00 H new ATOM 0 HG23 VAL B 5 -8.251 -5.261 1.452 1.00 0.00 H new ATOM 981 N PRO B 6 -7.392 -2.287 5.729 1.00 0.00 N ATOM 982 CA PRO B 6 -7.746 -1.445 6.875 1.00 0.00 C ATOM 983 C PRO B 6 -8.692 -0.281 6.511 1.00 0.00 C ATOM 984 O PRO B 6 -8.733 0.131 5.352 1.00 0.00 O ATOM 985 CB PRO B 6 -6.410 -0.908 7.412 1.00 0.00 C ATOM 986 CG PRO B 6 -5.385 -1.937 6.947 1.00 0.00 C ATOM 987 CD PRO B 6 -5.944 -2.358 5.590 1.00 0.00 C ATOM 0 HA PRO B 6 -8.296 -2.029 7.613 1.00 0.00 H new ATOM 0 HB2 PRO B 6 -6.189 0.083 7.015 1.00 0.00 H new ATOM 0 HB3 PRO B 6 -6.423 -0.820 8.498 1.00 0.00 H new ATOM 0 HG2 PRO B 6 -4.387 -1.507 6.861 1.00 0.00 H new ATOM 0 HG3 PRO B 6 -5.311 -2.778 7.636 1.00 0.00 H new ATOM 0 HD2 PRO B 6 -5.593 -1.697 4.798 1.00 0.00 H new ATOM 0 HD3 PRO B 6 -5.623 -3.367 5.329 1.00 0.00 H new ATOM 995 N PRO B 7 -9.423 0.298 7.483 1.00 0.00 N ATOM 996 CA PRO B 7 -10.237 1.494 7.270 1.00 0.00 C ATOM 997 C PRO B 7 -9.340 2.724 7.037 1.00 0.00 C ATOM 998 O PRO B 7 -8.309 2.877 7.694 1.00 0.00 O ATOM 999 CB PRO B 7 -11.085 1.634 8.541 1.00 0.00 C ATOM 1000 CG PRO B 7 -10.193 1.017 9.620 1.00 0.00 C ATOM 1001 CD PRO B 7 -9.492 -0.123 8.876 1.00 0.00 C ATOM 0 HA PRO B 7 -10.868 1.416 6.385 1.00 0.00 H new ATOM 0 HB2 PRO B 7 -11.318 2.676 8.758 1.00 0.00 H new ATOM 0 HB3 PRO B 7 -12.035 1.107 8.453 1.00 0.00 H new ATOM 0 HG2 PRO B 7 -9.479 1.740 10.016 1.00 0.00 H new ATOM 0 HG3 PRO B 7 -10.776 0.650 10.464 1.00 0.00 H new ATOM 0 HD2 PRO B 7 -8.496 -0.300 9.281 1.00 0.00 H new ATOM 0 HD3 PRO B 7 -10.047 -1.056 8.976 1.00 0.00 H new ATOM 1009 N ARG B 8 -9.723 3.595 6.090 1.00 0.00 N ATOM 1010 CA ARG B 8 -8.950 4.783 5.708 1.00 0.00 C ATOM 1011 C ARG B 8 -8.789 5.807 6.845 1.00 0.00 C ATOM 1012 O ARG B 8 -7.773 6.500 6.883 1.00 0.00 O ATOM 1013 CB ARG B 8 -9.543 5.445 4.452 1.00 0.00 C ATOM 1014 CG ARG B 8 -9.562 4.488 3.246 1.00 0.00 C ATOM 1015 CD ARG B 8 -9.406 5.240 1.919 1.00 0.00 C ATOM 1016 NE ARG B 8 -10.482 6.216 1.683 1.00 0.00 N ATOM 1017 CZ ARG B 8 -10.481 7.159 0.723 1.00 0.00 C ATOM 1018 NH1 ARG B 8 -9.437 7.327 -0.094 1.00 0.00 N ATOM 1019 NH2 ARG B 8 -11.544 7.954 0.573 1.00 0.00 N ATOM 0 H ARG B 8 -10.590 3.491 5.562 1.00 0.00 H new ATOM 0 HA ARG B 8 -7.945 4.427 5.480 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -10.558 5.780 4.664 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -8.961 6.332 4.201 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -8.758 3.760 3.348 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -10.498 3.930 3.240 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -8.446 5.756 1.911 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -9.389 4.521 1.100 1.00 0.00 H new ATOM 0 HE ARG B 8 -11.295 6.174 2.297 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -8.614 6.732 0.002 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -9.463 8.050 -0.813 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -12.353 7.845 1.185 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -11.547 8.670 -0.154 1.00 0.00 H new ATOM 1033 N ARG B 9 -9.774 5.891 7.756 1.00 0.00 N ATOM 1034 CA ARG B 9 -9.788 6.732 8.957 1.00 0.00 C ATOM 1035 C ARG B 9 -10.253 8.161 8.631 1.00 0.00 C ATOM 1036 O ARG B 9 -9.740 8.786 7.703 1.00 0.00 O ATOM 1037 CB ARG B 9 -8.420 6.722 9.669 1.00 0.00 C ATOM 1038 CG ARG B 9 -8.498 7.123 11.151 1.00 0.00 C ATOM 1039 CD ARG B 9 -7.099 7.289 11.770 1.00 0.00 C ATOM 1040 NE ARG B 9 -6.257 6.090 11.583 1.00 0.00 N ATOM 1041 CZ ARG B 9 -5.375 5.867 10.591 1.00 0.00 C ATOM 1042 NH1 ARG B 9 -5.099 6.790 9.662 1.00 0.00 N ATOM 1043 NH2 ARG B 9 -4.754 4.688 10.516 1.00 0.00 N ATOM 0 H ARG B 9 -10.628 5.341 7.665 1.00 0.00 H new ATOM 0 HA ARG B 9 -10.512 6.306 9.651 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -7.987 5.725 9.593 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -7.745 7.403 9.151 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -9.051 8.057 11.247 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -9.053 6.366 11.704 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -6.605 8.151 11.321 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -7.198 7.498 12.835 1.00 0.00 H new ATOM 0 HE ARG B 9 -6.354 5.352 12.280 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -5.563 7.698 9.691 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -4.425 6.586 8.925 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -4.949 3.964 11.207 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.084 4.511 9.767 1.00 0.00 H new ATOM 1057 N ARG B 10 -11.218 8.678 9.406 1.00 0.00 N ATOM 1058 CA ARG B 10 -11.710 10.054 9.306 1.00 0.00 C ATOM 1059 C ARG B 10 -10.720 11.065 9.914 1.00 0.00 C ATOM 1060 O ARG B 10 -10.675 12.199 9.389 1.00 0.00 O ATOM 1061 CB ARG B 10 -13.112 10.168 9.935 1.00 0.00 C ATOM 1062 CG ARG B 10 -13.139 9.927 11.456 1.00 0.00 C ATOM 1063 CD ARG B 10 -14.559 10.052 12.032 1.00 0.00 C ATOM 1064 NE ARG B 10 -15.485 9.053 11.468 1.00 0.00 N ATOM 1065 CZ ARG B 10 -15.534 7.745 11.776 1.00 0.00 C ATOM 1066 NH1 ARG B 10 -14.713 7.209 12.686 1.00 0.00 N ATOM 1067 NH2 ARG B 10 -16.422 6.958 11.161 1.00 0.00 N ATOM 1068 OXT ARG B 10 -10.039 10.703 10.901 1.00 0.00 O ATOM 0 H ARG B 10 -11.686 8.138 10.134 1.00 0.00 H new ATOM 0 HA ARG B 10 -11.793 10.307 8.249 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -13.512 11.161 9.728 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -13.775 9.450 9.452 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -12.745 8.934 11.673 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -12.483 10.645 11.949 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -14.520 9.936 13.115 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -14.942 11.052 11.832 1.00 0.00 H new ATOM 0 HE ARG B 10 -16.155 9.387 10.775 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -14.029 7.796 13.164 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -14.771 6.214 12.901 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -17.055 7.351 10.464 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -16.466 5.965 11.388 1.00 0.00 H new