USER MOD reduce.3.24.130724 H: found=0, std=0, add=614, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 611 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 57 THR OG1 : rot 180:sc= 0.465 USER MOD Set 1.2: A 60 SER OG : rot 114:sc= 0.512 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -136:sc= 1.32 (180deg=0.0299) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.18) USER MOD Single : A 13 SER OG : rot 74:sc= 0.485 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.595 USER MOD Single : A 30 THR OG1 : rot -71:sc= 0.153 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 CYS SG : rot 79:sc= 0.343 USER MOD Single : A 35 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00303) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0105) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0.00189 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.604 7.309 12.485 1.00 0.00 N ATOM 2 CA MET A 1 -6.018 6.944 12.779 1.00 0.00 C ATOM 3 C MET A 1 -6.642 6.080 11.674 1.00 0.00 C ATOM 4 O MET A 1 -6.856 4.869 11.867 1.00 0.00 O ATOM 5 CB MET A 1 -6.872 8.178 13.149 1.00 0.00 C ATOM 6 CG MET A 1 -8.256 7.835 13.718 1.00 0.00 C ATOM 7 SD MET A 1 -9.245 9.300 14.133 1.00 0.00 S ATOM 8 CE MET A 1 -10.704 8.487 14.835 1.00 0.00 C ATOM 0 H1 MET A 1 -4.029 7.190 13.343 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.236 6.693 11.733 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.559 8.300 12.173 1.00 0.00 H new ATOM 0 HA MET A 1 -6.005 6.314 13.668 1.00 0.00 H new ATOM 0 HB2 MET A 1 -6.329 8.776 13.880 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.999 8.798 12.261 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.800 7.232 12.992 1.00 0.00 H new ATOM 0 HG3 MET A 1 -8.132 7.224 14.612 1.00 0.00 H new ATOM 0 HE1 MET A 1 -11.426 9.242 15.147 1.00 0.00 H new ATOM 0 HE2 MET A 1 -11.157 7.840 14.084 1.00 0.00 H new ATOM 0 HE3 MET A 1 -10.408 7.889 15.697 1.00 0.00 H new ATOM 17 N LYS A 2 -6.954 6.645 10.497 1.00 0.00 N ATOM 18 CA LYS A 2 -7.531 5.936 9.331 1.00 0.00 C ATOM 19 C LYS A 2 -6.760 6.234 8.042 1.00 0.00 C ATOM 20 O LYS A 2 -6.181 7.314 7.895 1.00 0.00 O ATOM 21 CB LYS A 2 -9.012 6.318 9.149 1.00 0.00 C ATOM 22 CG LYS A 2 -9.930 5.790 10.261 1.00 0.00 C ATOM 23 CD LYS A 2 -11.384 6.204 9.986 1.00 0.00 C ATOM 24 CE LYS A 2 -12.338 5.813 11.124 1.00 0.00 C ATOM 25 NZ LYS A 2 -12.539 4.343 11.226 1.00 0.00 N ATOM 0 H LYS A 2 -6.809 7.639 10.319 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.451 4.868 9.532 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.095 7.404 9.108 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -9.361 5.935 8.190 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -9.857 4.704 10.318 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -9.608 6.182 11.226 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -11.428 7.283 9.835 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -11.721 5.739 9.059 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -11.943 6.188 12.068 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -13.302 6.297 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -13.191 4.135 12.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -12.942 3.985 10.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -11.625 3.879 11.404 1.00 0.00 H new ATOM 39 N ILE A 3 -6.806 5.289 7.103 1.00 0.00 N ATOM 40 CA ILE A 3 -6.277 5.381 5.734 1.00 0.00 C ATOM 41 C ILE A 3 -7.308 4.875 4.716 1.00 0.00 C ATOM 42 O ILE A 3 -8.208 4.094 5.043 1.00 0.00 O ATOM 43 CB ILE A 3 -4.913 4.651 5.585 1.00 0.00 C ATOM 44 CG1 ILE A 3 -4.942 3.116 5.793 1.00 0.00 C ATOM 45 CG2 ILE A 3 -3.877 5.278 6.534 1.00 0.00 C ATOM 46 CD1 ILE A 3 -5.294 2.301 4.540 1.00 0.00 C ATOM 0 H ILE A 3 -7.238 4.383 7.284 1.00 0.00 H new ATOM 0 HA ILE A 3 -6.089 6.434 5.524 1.00 0.00 H new ATOM 0 HB ILE A 3 -4.638 4.791 4.540 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -3.966 2.794 6.155 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -5.665 2.883 6.575 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -2.923 4.761 6.424 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -3.749 6.332 6.288 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -4.223 5.185 7.563 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -5.289 1.239 4.784 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -6.284 2.588 4.186 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -4.559 2.497 3.760 1.00 0.00 H new ATOM 58 N LYS A 4 -7.143 5.300 3.462 1.00 0.00 N ATOM 59 CA LYS A 4 -7.774 4.716 2.272 1.00 0.00 C ATOM 60 C LYS A 4 -6.759 3.866 1.504 1.00 0.00 C ATOM 61 O LYS A 4 -5.578 4.211 1.440 1.00 0.00 O ATOM 62 CB LYS A 4 -8.358 5.826 1.374 1.00 0.00 C ATOM 63 CG LYS A 4 -9.890 5.776 1.310 1.00 0.00 C ATOM 64 CD LYS A 4 -10.424 6.864 0.361 1.00 0.00 C ATOM 65 CE LYS A 4 -11.959 6.873 0.274 1.00 0.00 C ATOM 66 NZ LYS A 4 -12.585 7.596 1.413 1.00 0.00 N ATOM 0 H LYS A 4 -6.542 6.093 3.236 1.00 0.00 H new ATOM 0 HA LYS A 4 -8.594 4.071 2.586 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -8.044 6.799 1.752 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -7.951 5.728 0.368 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.214 4.794 0.966 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -10.307 5.918 2.307 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.078 7.840 0.702 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.008 6.708 -0.635 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.265 7.340 -0.662 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.325 5.847 0.253 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -13.620 7.532 1.338 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.275 7.167 2.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -12.298 8.595 1.390 1.00 0.00 H new ATOM 80 N ILE A 5 -7.228 2.803 0.855 1.00 0.00 N ATOM 81 CA ILE A 5 -6.442 2.004 -0.097 1.00 0.00 C ATOM 82 C ILE A 5 -7.275 1.688 -1.345 1.00 0.00 C ATOM 83 O ILE A 5 -8.447 1.328 -1.230 1.00 0.00 O ATOM 84 CB ILE A 5 -5.839 0.751 0.584 1.00 0.00 C ATOM 85 CG1 ILE A 5 -4.868 0.023 -0.373 1.00 0.00 C ATOM 86 CG2 ILE A 5 -6.923 -0.214 1.102 1.00 0.00 C ATOM 87 CD1 ILE A 5 -3.944 -0.964 0.353 1.00 0.00 C ATOM 0 H ILE A 5 -8.182 2.462 0.974 1.00 0.00 H new ATOM 0 HA ILE A 5 -5.588 2.590 -0.436 1.00 0.00 H new ATOM 0 HB ILE A 5 -5.280 1.097 1.453 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -5.443 -0.513 -1.128 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -4.262 0.761 -0.899 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.449 -1.076 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.547 0.299 1.833 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -7.541 -0.548 0.269 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -3.285 -1.445 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -3.345 -0.428 1.089 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -4.545 -1.722 0.856 1.00 0.00 H new ATOM 99 N VAL A 6 -6.682 1.836 -2.532 1.00 0.00 N ATOM 100 CA VAL A 6 -7.333 1.599 -3.834 1.00 0.00 C ATOM 101 C VAL A 6 -6.491 0.651 -4.709 1.00 0.00 C ATOM 102 O VAL A 6 -5.534 1.086 -5.355 1.00 0.00 O ATOM 103 CB VAL A 6 -7.723 2.930 -4.522 1.00 0.00 C ATOM 104 CG1 VAL A 6 -6.593 3.946 -4.737 1.00 0.00 C ATOM 105 CG2 VAL A 6 -8.424 2.674 -5.865 1.00 0.00 C ATOM 0 H VAL A 6 -5.710 2.132 -2.623 1.00 0.00 H new ATOM 0 HA VAL A 6 -8.277 1.080 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 6 -8.397 3.391 -3.800 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -6.991 4.835 -5.226 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -6.165 4.223 -3.774 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -5.819 3.503 -5.364 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -8.687 3.626 -6.326 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -7.754 2.124 -6.526 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -9.329 2.090 -5.698 1.00 0.00 H new ATOM 115 N PRO A 7 -6.805 -0.660 -4.722 1.00 0.00 N ATOM 116 CA PRO A 7 -6.213 -1.617 -5.650 1.00 0.00 C ATOM 117 C PRO A 7 -6.906 -1.582 -7.020 1.00 0.00 C ATOM 118 O PRO A 7 -8.134 -1.559 -7.113 1.00 0.00 O ATOM 119 CB PRO A 7 -6.356 -2.976 -4.955 1.00 0.00 C ATOM 120 CG PRO A 7 -7.657 -2.833 -4.164 1.00 0.00 C ATOM 121 CD PRO A 7 -7.687 -1.350 -3.786 1.00 0.00 C ATOM 0 HA PRO A 7 -5.169 -1.389 -5.867 1.00 0.00 H new ATOM 0 HB2 PRO A 7 -6.411 -3.792 -5.675 1.00 0.00 H new ATOM 0 HB3 PRO A 7 -5.509 -3.184 -4.301 1.00 0.00 H new ATOM 0 HG2 PRO A 7 -8.524 -3.112 -4.764 1.00 0.00 H new ATOM 0 HG3 PRO A 7 -7.662 -3.472 -3.281 1.00 0.00 H new ATOM 0 HD2 PRO A 7 -8.701 -0.955 -3.848 1.00 0.00 H new ATOM 0 HD3 PRO A 7 -7.351 -1.206 -2.759 1.00 0.00 H new ATOM 129 N ALA A 8 -6.124 -1.664 -8.096 1.00 0.00 N ATOM 130 CA ALA A 8 -6.587 -1.853 -9.476 1.00 0.00 C ATOM 131 C ALA A 8 -7.051 -3.307 -9.766 1.00 0.00 C ATOM 132 O ALA A 8 -6.739 -3.881 -10.814 1.00 0.00 O ATOM 133 CB ALA A 8 -5.464 -1.364 -10.404 1.00 0.00 C ATOM 0 H ALA A 8 -5.108 -1.598 -8.030 1.00 0.00 H new ATOM 0 HA ALA A 8 -7.487 -1.265 -9.656 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -5.770 -1.488 -11.443 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -5.263 -0.311 -10.208 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -4.561 -1.946 -10.220 1.00 0.00 H new ATOM 139 N VAL A 9 -7.754 -3.930 -8.812 1.00 0.00 N ATOM 140 CA VAL A 9 -8.108 -5.364 -8.780 1.00 0.00 C ATOM 141 C VAL A 9 -9.555 -5.538 -8.297 1.00 0.00 C ATOM 142 O VAL A 9 -10.014 -4.792 -7.427 1.00 0.00 O ATOM 143 CB VAL A 9 -7.122 -6.158 -7.884 1.00 0.00 C ATOM 144 CG1 VAL A 9 -7.412 -7.665 -7.887 1.00 0.00 C ATOM 145 CG2 VAL A 9 -5.655 -5.978 -8.304 1.00 0.00 C ATOM 0 H VAL A 9 -8.111 -3.428 -7.999 1.00 0.00 H new ATOM 0 HA VAL A 9 -8.030 -5.765 -9.791 1.00 0.00 H new ATOM 0 HB VAL A 9 -7.274 -5.745 -6.887 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -6.694 -8.175 -7.245 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -8.421 -7.842 -7.515 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.327 -8.050 -8.903 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.013 -6.557 -7.640 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.525 -6.325 -9.329 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.385 -4.924 -8.241 1.00 0.00 H new ATOM 155 N GLY A 10 -10.279 -6.523 -8.841 1.00 0.00 N ATOM 156 CA GLY A 10 -11.639 -6.876 -8.411 1.00 0.00 C ATOM 157 C GLY A 10 -12.627 -5.723 -8.616 1.00 0.00 C ATOM 158 O GLY A 10 -12.910 -5.337 -9.752 1.00 0.00 O ATOM 0 H GLY A 10 -9.933 -7.106 -9.603 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -11.980 -7.748 -8.969 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -11.624 -7.157 -7.358 1.00 0.00 H new ATOM 162 N GLY A 11 -13.128 -5.153 -7.515 1.00 0.00 N ATOM 163 CA GLY A 11 -14.009 -3.977 -7.521 1.00 0.00 C ATOM 164 C GLY A 11 -13.344 -2.667 -7.980 1.00 0.00 C ATOM 165 O GLY A 11 -14.050 -1.719 -8.331 1.00 0.00 O ATOM 0 H GLY A 11 -12.930 -5.501 -6.577 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -14.859 -4.182 -8.171 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -14.404 -3.833 -6.515 1.00 0.00 H new ATOM 169 N GLY A 12 -12.005 -2.597 -8.003 1.00 0.00 N ATOM 170 CA GLY A 12 -11.239 -1.484 -8.587 1.00 0.00 C ATOM 171 C GLY A 12 -11.418 -0.123 -7.890 1.00 0.00 C ATOM 172 O GLY A 12 -11.198 0.916 -8.517 1.00 0.00 O ATOM 0 H GLY A 12 -11.411 -3.327 -7.608 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -10.181 -1.745 -8.571 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -11.525 -1.378 -9.633 1.00 0.00 H new ATOM 176 N SER A 13 -11.868 -0.120 -6.630 1.00 0.00 N ATOM 177 CA SER A 13 -12.397 1.055 -5.909 1.00 0.00 C ATOM 178 C SER A 13 -11.744 1.257 -4.528 1.00 0.00 C ATOM 179 O SER A 13 -11.280 0.283 -3.930 1.00 0.00 O ATOM 180 CB SER A 13 -13.919 0.921 -5.745 1.00 0.00 C ATOM 181 OG SER A 13 -14.578 0.912 -7.000 1.00 0.00 O ATOM 0 H SER A 13 -11.876 -0.965 -6.059 1.00 0.00 H new ATOM 0 HA SER A 13 -12.154 1.932 -6.509 1.00 0.00 H new ATOM 0 HB2 SER A 13 -14.148 0.002 -5.206 1.00 0.00 H new ATOM 0 HB3 SER A 13 -14.295 1.747 -5.141 1.00 0.00 H new ATOM 0 HG SER A 13 -14.427 0.051 -7.443 1.00 0.00 H new ATOM 187 N PRO A 14 -11.696 2.500 -3.998 1.00 0.00 N ATOM 188 CA PRO A 14 -11.118 2.792 -2.685 1.00 0.00 C ATOM 189 C PRO A 14 -11.902 2.167 -1.521 1.00 0.00 C ATOM 190 O PRO A 14 -13.133 2.091 -1.548 1.00 0.00 O ATOM 191 CB PRO A 14 -11.081 4.321 -2.575 1.00 0.00 C ATOM 192 CG PRO A 14 -12.209 4.775 -3.499 1.00 0.00 C ATOM 193 CD PRO A 14 -12.158 3.736 -4.618 1.00 0.00 C ATOM 0 HA PRO A 14 -10.124 2.351 -2.609 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -11.244 4.653 -1.550 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -10.118 4.722 -2.891 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -13.173 4.777 -2.991 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -12.044 5.785 -3.875 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -13.140 3.602 -5.071 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -11.481 4.051 -5.412 1.00 0.00 H new ATOM 201 N LEU A 15 -11.178 1.769 -0.470 1.00 0.00 N ATOM 202 CA LEU A 15 -11.694 1.172 0.768 1.00 0.00 C ATOM 203 C LEU A 15 -11.074 1.844 2.008 1.00 0.00 C ATOM 204 O LEU A 15 -9.870 2.104 2.040 1.00 0.00 O ATOM 205 CB LEU A 15 -11.387 -0.340 0.777 1.00 0.00 C ATOM 206 CG LEU A 15 -12.017 -1.167 -0.362 1.00 0.00 C ATOM 207 CD1 LEU A 15 -11.471 -2.596 -0.335 1.00 0.00 C ATOM 208 CD2 LEU A 15 -13.542 -1.237 -0.246 1.00 0.00 C ATOM 0 H LEU A 15 -10.162 1.859 -0.459 1.00 0.00 H new ATOM 0 HA LEU A 15 -12.772 1.327 0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -10.306 -0.471 0.738 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -11.724 -0.753 1.728 1.00 0.00 H new ATOM 0 HG LEU A 15 -11.758 -0.669 -1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -11.921 -3.173 -1.143 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -10.389 -2.575 -0.464 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -11.713 -3.060 0.621 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -13.943 -1.829 -1.069 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -13.814 -1.702 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -13.957 -0.230 -0.288 1.00 0.00 H new ATOM 220 N GLU A 16 -11.887 2.100 3.035 1.00 0.00 N ATOM 221 CA GLU A 16 -11.452 2.587 4.356 1.00 0.00 C ATOM 222 C GLU A 16 -10.878 1.455 5.223 1.00 0.00 C ATOM 223 O GLU A 16 -11.495 0.393 5.343 1.00 0.00 O ATOM 224 CB GLU A 16 -12.656 3.196 5.099 1.00 0.00 C ATOM 225 CG GLU A 16 -13.163 4.527 4.521 1.00 0.00 C ATOM 226 CD GLU A 16 -12.247 5.735 4.796 1.00 0.00 C ATOM 227 OE1 GLU A 16 -11.563 5.784 5.851 1.00 0.00 O ATOM 228 OE2 GLU A 16 -12.249 6.669 3.967 1.00 0.00 O ATOM 0 H GLU A 16 -12.897 1.972 2.974 1.00 0.00 H new ATOM 0 HA GLU A 16 -10.673 3.331 4.190 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -13.474 2.476 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -12.381 3.350 6.142 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -13.284 4.417 3.443 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -14.150 4.735 4.934 1.00 0.00 H new ATOM 235 N LEU A 17 -9.749 1.706 5.893 1.00 0.00 N ATOM 236 CA LEU A 17 -9.181 0.841 6.937 1.00 0.00 C ATOM 237 C LEU A 17 -8.540 1.659 8.077 1.00 0.00 C ATOM 238 O LEU A 17 -8.003 2.749 7.871 1.00 0.00 O ATOM 239 CB LEU A 17 -8.140 -0.143 6.351 1.00 0.00 C ATOM 240 CG LEU A 17 -8.738 -1.360 5.608 1.00 0.00 C ATOM 241 CD1 LEU A 17 -8.713 -1.177 4.087 1.00 0.00 C ATOM 242 CD2 LEU A 17 -7.942 -2.633 5.923 1.00 0.00 C ATOM 0 H LEU A 17 -9.187 2.540 5.721 1.00 0.00 H new ATOM 0 HA LEU A 17 -10.012 0.269 7.351 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -7.494 0.402 5.663 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -7.508 -0.506 7.162 1.00 0.00 H new ATOM 0 HG LEU A 17 -9.769 -1.446 5.951 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -9.143 -2.056 3.608 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -9.295 -0.296 3.817 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -7.683 -1.048 3.753 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -8.380 -3.477 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -6.907 -2.502 5.608 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -7.973 -2.826 6.995 1.00 0.00 H new ATOM 254 N GLU A 18 -8.546 1.091 9.284 1.00 0.00 N ATOM 255 CA GLU A 18 -7.648 1.482 10.380 1.00 0.00 C ATOM 256 C GLU A 18 -6.300 0.740 10.264 1.00 0.00 C ATOM 257 O GLU A 18 -6.252 -0.432 9.880 1.00 0.00 O ATOM 258 CB GLU A 18 -8.324 1.260 11.747 1.00 0.00 C ATOM 259 CG GLU A 18 -8.693 -0.207 12.052 1.00 0.00 C ATOM 260 CD GLU A 18 -9.344 -0.383 13.448 1.00 0.00 C ATOM 261 OE1 GLU A 18 -10.069 0.518 13.934 1.00 0.00 O ATOM 262 OE2 GLU A 18 -9.132 -1.450 14.081 1.00 0.00 O ATOM 0 H GLU A 18 -9.183 0.335 9.535 1.00 0.00 H new ATOM 0 HA GLU A 18 -7.437 2.548 10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -7.658 1.623 12.530 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.229 1.865 11.792 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.379 -0.571 11.287 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -7.795 -0.823 11.994 1.00 0.00 H new ATOM 269 N VAL A 19 -5.200 1.417 10.618 1.00 0.00 N ATOM 270 CA VAL A 19 -3.829 0.863 10.668 1.00 0.00 C ATOM 271 C VAL A 19 -3.035 1.465 11.835 1.00 0.00 C ATOM 272 O VAL A 19 -3.242 2.623 12.211 1.00 0.00 O ATOM 273 CB VAL A 19 -3.050 1.051 9.342 1.00 0.00 C ATOM 274 CG1 VAL A 19 -3.670 0.283 8.168 1.00 0.00 C ATOM 275 CG2 VAL A 19 -2.879 2.518 8.927 1.00 0.00 C ATOM 0 H VAL A 19 -5.235 2.400 10.888 1.00 0.00 H new ATOM 0 HA VAL A 19 -3.942 -0.210 10.824 1.00 0.00 H new ATOM 0 HB VAL A 19 -2.066 0.638 9.565 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -3.079 0.455 7.268 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -3.682 -0.783 8.396 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -4.690 0.630 8.004 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -2.324 2.569 7.990 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -3.860 2.975 8.793 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -2.331 3.054 9.702 1.00 0.00 H new ATOM 285 N ALA A 20 -2.108 0.690 12.402 1.00 0.00 N ATOM 286 CA ALA A 20 -1.188 1.153 13.441 1.00 0.00 C ATOM 287 C ALA A 20 -0.087 2.077 12.860 1.00 0.00 C ATOM 288 O ALA A 20 0.348 1.856 11.724 1.00 0.00 O ATOM 289 CB ALA A 20 -0.580 -0.081 14.131 1.00 0.00 C ATOM 0 H ALA A 20 -1.974 -0.289 12.149 1.00 0.00 H new ATOM 0 HA ALA A 20 -1.734 1.751 14.170 1.00 0.00 H new ATOM 0 HB1 ALA A 20 0.110 0.241 14.911 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -1.376 -0.678 14.575 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -0.043 -0.681 13.396 1.00 0.00 H new ATOM 295 N PRO A 21 0.450 3.052 13.626 1.00 0.00 N ATOM 296 CA PRO A 21 1.612 3.853 13.207 1.00 0.00 C ATOM 297 C PRO A 21 2.905 3.014 13.071 1.00 0.00 C ATOM 298 O PRO A 21 3.845 3.427 12.388 1.00 0.00 O ATOM 299 CB PRO A 21 1.744 4.944 14.277 1.00 0.00 C ATOM 300 CG PRO A 21 1.178 4.275 15.529 1.00 0.00 C ATOM 301 CD PRO A 21 0.044 3.414 14.980 1.00 0.00 C ATOM 0 HA PRO A 21 1.465 4.271 12.211 1.00 0.00 H new ATOM 0 HB2 PRO A 21 2.781 5.248 14.417 1.00 0.00 H new ATOM 0 HB3 PRO A 21 1.183 5.840 14.010 1.00 0.00 H new ATOM 0 HG2 PRO A 21 1.930 3.673 16.039 1.00 0.00 H new ATOM 0 HG3 PRO A 21 0.815 5.009 16.249 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -0.108 2.527 15.595 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -0.898 3.963 14.974 1.00 0.00 H new ATOM 309 N ASN A 22 2.950 1.825 13.691 1.00 0.00 N ATOM 310 CA ASN A 22 4.008 0.815 13.548 1.00 0.00 C ATOM 311 C ASN A 22 3.923 -0.024 12.245 1.00 0.00 C ATOM 312 O ASN A 22 4.783 -0.880 12.019 1.00 0.00 O ATOM 313 CB ASN A 22 4.019 -0.075 14.807 1.00 0.00 C ATOM 314 CG ASN A 22 4.589 0.660 16.018 1.00 0.00 C ATOM 315 OD1 ASN A 22 5.745 1.066 16.041 1.00 0.00 O ATOM 316 ND2 ASN A 22 3.810 0.860 17.060 1.00 0.00 N ATOM 0 H ASN A 22 2.216 1.529 14.335 1.00 0.00 H new ATOM 0 HA ASN A 22 4.955 1.346 13.456 1.00 0.00 H new ATOM 0 HB2 ASN A 22 3.004 -0.405 15.027 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.610 -0.970 14.614 1.00 0.00 H new ATOM 0 HD21 ASN A 22 4.170 1.350 17.879 1.00 0.00 H new ATOM 0 HD22 ASN A 22 2.847 0.525 17.048 1.00 0.00 H new ATOM 323 N ALA A 23 2.924 0.205 11.377 1.00 0.00 N ATOM 324 CA ALA A 23 2.851 -0.427 10.055 1.00 0.00 C ATOM 325 C ALA A 23 4.071 -0.043 9.188 1.00 0.00 C ATOM 326 O ALA A 23 4.541 1.101 9.227 1.00 0.00 O ATOM 327 CB ALA A 23 1.528 -0.057 9.374 1.00 0.00 C ATOM 0 H ALA A 23 2.146 0.834 11.575 1.00 0.00 H new ATOM 0 HA ALA A 23 2.879 -1.510 10.178 1.00 0.00 H new ATOM 0 HB1 ALA A 23 1.479 -0.529 8.393 1.00 0.00 H new ATOM 0 HB2 ALA A 23 0.695 -0.404 9.985 1.00 0.00 H new ATOM 0 HB3 ALA A 23 1.468 1.025 9.259 1.00 0.00 H new ATOM 333 N THR A 24 4.569 -0.998 8.392 1.00 0.00 N ATOM 334 CA THR A 24 5.778 -0.844 7.561 1.00 0.00 C ATOM 335 C THR A 24 5.474 -1.088 6.083 1.00 0.00 C ATOM 336 O THR A 24 4.574 -1.859 5.734 1.00 0.00 O ATOM 337 CB THR A 24 6.961 -1.722 8.040 1.00 0.00 C ATOM 338 OG1 THR A 24 6.975 -2.989 7.413 1.00 0.00 O ATOM 339 CG2 THR A 24 6.985 -2.001 9.545 1.00 0.00 C ATOM 0 H THR A 24 4.137 -1.918 8.303 1.00 0.00 H new ATOM 0 HA THR A 24 6.096 0.192 7.679 1.00 0.00 H new ATOM 0 HB THR A 24 7.829 -1.120 7.769 1.00 0.00 H new ATOM 0 HG1 THR A 24 7.738 -3.509 7.743 1.00 0.00 H new ATOM 0 HG21 THR A 24 7.848 -2.622 9.786 1.00 0.00 H new ATOM 0 HG22 THR A 24 7.053 -1.059 10.089 1.00 0.00 H new ATOM 0 HG23 THR A 24 6.071 -2.521 9.833 1.00 0.00 H new ATOM 347 N VAL A 25 6.244 -0.460 5.188 1.00 0.00 N ATOM 348 CA VAL A 25 6.138 -0.691 3.731 1.00 0.00 C ATOM 349 C VAL A 25 6.429 -2.145 3.347 1.00 0.00 C ATOM 350 O VAL A 25 5.792 -2.677 2.437 1.00 0.00 O ATOM 351 CB VAL A 25 7.053 0.258 2.931 1.00 0.00 C ATOM 352 CG1 VAL A 25 6.522 1.688 3.018 1.00 0.00 C ATOM 353 CG2 VAL A 25 8.523 0.249 3.379 1.00 0.00 C ATOM 0 H VAL A 25 6.958 0.222 5.445 1.00 0.00 H new ATOM 0 HA VAL A 25 5.102 -0.476 3.470 1.00 0.00 H new ATOM 0 HB VAL A 25 7.035 -0.114 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.173 2.353 2.451 1.00 0.00 H new ATOM 0 HG12 VAL A 25 5.514 1.728 2.605 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.499 2.005 4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 25 9.095 0.944 2.764 1.00 0.00 H new ATOM 0 HG22 VAL A 25 8.587 0.552 4.424 1.00 0.00 H new ATOM 0 HG23 VAL A 25 8.931 -0.755 3.267 1.00 0.00 H new ATOM 363 N GLY A 26 7.326 -2.814 4.080 1.00 0.00 N ATOM 364 CA GLY A 26 7.609 -4.241 3.923 1.00 0.00 C ATOM 365 C GLY A 26 6.400 -5.106 4.284 1.00 0.00 C ATOM 366 O GLY A 26 5.976 -5.928 3.472 1.00 0.00 O ATOM 0 H GLY A 26 7.883 -2.370 4.810 1.00 0.00 H new ATOM 0 HA2 GLY A 26 7.904 -4.441 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 26 8.453 -4.515 4.555 1.00 0.00 H new ATOM 370 N ALA A 27 5.795 -4.873 5.454 1.00 0.00 N ATOM 371 CA ALA A 27 4.628 -5.615 5.937 1.00 0.00 C ATOM 372 C ALA A 27 3.398 -5.448 5.026 1.00 0.00 C ATOM 373 O ALA A 27 2.698 -6.423 4.749 1.00 0.00 O ATOM 374 CB ALA A 27 4.327 -5.166 7.374 1.00 0.00 C ATOM 0 H ALA A 27 6.109 -4.151 6.102 1.00 0.00 H new ATOM 0 HA ALA A 27 4.861 -6.680 5.920 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.460 -5.709 7.751 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.189 -5.374 8.008 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.118 -4.096 7.385 1.00 0.00 H new ATOM 380 N VAL A 28 3.152 -4.235 4.509 1.00 0.00 N ATOM 381 CA VAL A 28 2.095 -3.983 3.511 1.00 0.00 C ATOM 382 C VAL A 28 2.382 -4.754 2.218 1.00 0.00 C ATOM 383 O VAL A 28 1.516 -5.484 1.733 1.00 0.00 O ATOM 384 CB VAL A 28 1.927 -2.470 3.248 1.00 0.00 C ATOM 385 CG1 VAL A 28 0.982 -2.167 2.076 1.00 0.00 C ATOM 386 CG2 VAL A 28 1.352 -1.765 4.487 1.00 0.00 C ATOM 0 H VAL A 28 3.678 -3.400 4.769 1.00 0.00 H new ATOM 0 HA VAL A 28 1.149 -4.346 3.913 1.00 0.00 H new ATOM 0 HB VAL A 28 2.925 -2.104 3.007 1.00 0.00 H new ATOM 0 HG11 VAL A 28 0.905 -1.088 1.941 1.00 0.00 H new ATOM 0 HG12 VAL A 28 1.375 -2.620 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -0.005 -2.578 2.289 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.241 -0.700 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.378 -2.191 4.729 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.028 -1.903 5.331 1.00 0.00 H new ATOM 396 N ARG A 29 3.603 -4.658 1.675 1.00 0.00 N ATOM 397 CA ARG A 29 3.975 -5.317 0.413 1.00 0.00 C ATOM 398 C ARG A 29 3.904 -6.844 0.507 1.00 0.00 C ATOM 399 O ARG A 29 3.326 -7.468 -0.383 1.00 0.00 O ATOM 400 CB ARG A 29 5.346 -4.771 -0.032 1.00 0.00 C ATOM 401 CG ARG A 29 5.773 -5.170 -1.455 1.00 0.00 C ATOM 402 CD ARG A 29 6.496 -6.521 -1.556 1.00 0.00 C ATOM 403 NE ARG A 29 7.790 -6.522 -0.844 1.00 0.00 N ATOM 404 CZ ARG A 29 8.557 -7.570 -0.597 1.00 0.00 C ATOM 405 NH1 ARG A 29 8.231 -8.777 -0.969 1.00 0.00 N ATOM 406 NH2 ARG A 29 9.682 -7.416 0.039 1.00 0.00 N ATOM 0 H ARG A 29 4.361 -4.122 2.097 1.00 0.00 H new ATOM 0 HA ARG A 29 3.248 -5.077 -0.363 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.326 -3.683 0.034 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.104 -5.119 0.670 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.888 -5.199 -2.090 1.00 0.00 H new ATOM 0 HG3 ARG A 29 6.426 -4.394 -1.854 1.00 0.00 H new ATOM 0 HD2 ARG A 29 5.858 -7.303 -1.145 1.00 0.00 H new ATOM 0 HD3 ARG A 29 6.662 -6.764 -2.606 1.00 0.00 H new ATOM 0 HE ARG A 29 8.127 -5.620 -0.508 1.00 0.00 H new ATOM 0 HH11 ARG A 29 7.357 -8.938 -1.469 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.850 -9.560 -0.759 1.00 0.00 H new ATOM 0 HH21 ARG A 29 9.971 -6.487 0.346 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.275 -8.224 0.230 1.00 0.00 H new ATOM 420 N THR A 30 4.424 -7.462 1.571 1.00 0.00 N ATOM 421 CA THR A 30 4.380 -8.928 1.747 1.00 0.00 C ATOM 422 C THR A 30 2.955 -9.440 1.973 1.00 0.00 C ATOM 423 O THR A 30 2.596 -10.464 1.388 1.00 0.00 O ATOM 424 CB THR A 30 5.302 -9.421 2.876 1.00 0.00 C ATOM 425 OG1 THR A 30 4.963 -8.829 4.111 1.00 0.00 O ATOM 426 CG2 THR A 30 6.781 -9.156 2.581 1.00 0.00 C ATOM 0 H THR A 30 4.887 -6.969 2.335 1.00 0.00 H new ATOM 0 HA THR A 30 4.751 -9.343 0.810 1.00 0.00 H new ATOM 0 HB THR A 30 5.153 -10.499 2.936 1.00 0.00 H new ATOM 0 HG1 THR A 30 5.216 -7.882 4.100 1.00 0.00 H new ATOM 0 HG21 THR A 30 7.388 -9.523 3.408 1.00 0.00 H new ATOM 0 HG22 THR A 30 7.067 -9.672 1.664 1.00 0.00 H new ATOM 0 HG23 THR A 30 6.942 -8.085 2.460 1.00 0.00 H new ATOM 434 N LYS A 31 2.104 -8.709 2.712 1.00 0.00 N ATOM 435 CA LYS A 31 0.669 -9.022 2.857 1.00 0.00 C ATOM 436 C LYS A 31 -0.028 -9.050 1.493 1.00 0.00 C ATOM 437 O LYS A 31 -0.716 -10.020 1.179 1.00 0.00 O ATOM 438 CB LYS A 31 0.019 -8.006 3.823 1.00 0.00 C ATOM 439 CG LYS A 31 -1.464 -8.267 4.155 1.00 0.00 C ATOM 440 CD LYS A 31 -1.700 -9.041 5.463 1.00 0.00 C ATOM 441 CE LYS A 31 -1.094 -10.450 5.458 1.00 0.00 C ATOM 442 NZ LYS A 31 -1.404 -11.175 6.719 1.00 0.00 N ATOM 0 H LYS A 31 2.392 -7.879 3.230 1.00 0.00 H new ATOM 0 HA LYS A 31 0.556 -10.019 3.283 1.00 0.00 H new ATOM 0 HB2 LYS A 31 0.587 -8.000 4.753 1.00 0.00 H new ATOM 0 HB3 LYS A 31 0.107 -7.010 3.389 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -1.983 -7.310 4.215 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -1.915 -8.823 3.333 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -1.276 -8.475 6.292 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -2.772 -9.116 5.643 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -1.481 -11.012 4.608 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -0.014 -10.383 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -0.981 -12.125 6.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -1.013 -10.649 7.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -2.435 -11.259 6.827 1.00 0.00 H new ATOM 456 N VAL A 32 0.209 -8.039 0.655 1.00 0.00 N ATOM 457 CA VAL A 32 -0.354 -7.936 -0.704 1.00 0.00 C ATOM 458 C VAL A 32 0.140 -9.075 -1.602 1.00 0.00 C ATOM 459 O VAL A 32 -0.674 -9.749 -2.234 1.00 0.00 O ATOM 460 CB VAL A 32 -0.040 -6.547 -1.296 1.00 0.00 C ATOM 461 CG1 VAL A 32 -0.382 -6.425 -2.787 1.00 0.00 C ATOM 462 CG2 VAL A 32 -0.837 -5.469 -0.551 1.00 0.00 C ATOM 0 H VAL A 32 0.808 -7.251 0.901 1.00 0.00 H new ATOM 0 HA VAL A 32 -1.437 -8.040 -0.646 1.00 0.00 H new ATOM 0 HB VAL A 32 1.035 -6.413 -1.180 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -0.135 -5.422 -3.136 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.193 -7.158 -3.353 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.447 -6.608 -2.932 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.610 -4.491 -0.975 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.904 -5.670 -0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -0.565 -5.479 0.504 1.00 0.00 H new ATOM 472 N CYS A 33 1.448 -9.355 -1.611 1.00 0.00 N ATOM 473 CA CYS A 33 2.018 -10.457 -2.399 1.00 0.00 C ATOM 474 C CYS A 33 1.471 -11.828 -1.973 1.00 0.00 C ATOM 475 O CYS A 33 1.120 -12.640 -2.829 1.00 0.00 O ATOM 476 CB CYS A 33 3.550 -10.434 -2.305 1.00 0.00 C ATOM 477 SG CYS A 33 4.191 -8.926 -3.083 1.00 0.00 S ATOM 0 H CYS A 33 2.139 -8.829 -1.076 1.00 0.00 H new ATOM 0 HA CYS A 33 1.717 -10.306 -3.436 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.860 -10.475 -1.261 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.967 -11.313 -2.796 1.00 0.00 H new ATOM 0 HG CYS A 33 4.043 -7.922 -2.271 1.00 0.00 H new ATOM 483 N ALA A 34 1.331 -12.077 -0.666 1.00 0.00 N ATOM 484 CA ALA A 34 0.748 -13.306 -0.129 1.00 0.00 C ATOM 485 C ALA A 34 -0.758 -13.445 -0.433 1.00 0.00 C ATOM 486 O ALA A 34 -1.219 -14.536 -0.771 1.00 0.00 O ATOM 487 CB ALA A 34 1.006 -13.347 1.381 1.00 0.00 C ATOM 0 H ALA A 34 1.624 -11.419 0.056 1.00 0.00 H new ATOM 0 HA ALA A 34 1.227 -14.152 -0.622 1.00 0.00 H new ATOM 0 HB1 ALA A 34 0.577 -14.258 1.799 1.00 0.00 H new ATOM 0 HB2 ALA A 34 2.080 -13.333 1.567 1.00 0.00 H new ATOM 0 HB3 ALA A 34 0.544 -12.480 1.853 1.00 0.00 H new ATOM 493 N MET A 35 -1.523 -12.347 -0.363 1.00 0.00 N ATOM 494 CA MET A 35 -2.960 -12.317 -0.676 1.00 0.00 C ATOM 495 C MET A 35 -3.244 -12.584 -2.166 1.00 0.00 C ATOM 496 O MET A 35 -4.168 -13.330 -2.497 1.00 0.00 O ATOM 497 CB MET A 35 -3.538 -10.965 -0.222 1.00 0.00 C ATOM 498 CG MET A 35 -5.058 -10.877 -0.398 1.00 0.00 C ATOM 499 SD MET A 35 -5.751 -9.268 0.077 1.00 0.00 S ATOM 500 CE MET A 35 -7.518 -9.637 -0.098 1.00 0.00 C ATOM 0 H MET A 35 -1.155 -11.438 -0.082 1.00 0.00 H new ATOM 0 HA MET A 35 -3.452 -13.125 -0.134 1.00 0.00 H new ATOM 0 HB2 MET A 35 -3.289 -10.803 0.827 1.00 0.00 H new ATOM 0 HB3 MET A 35 -3.065 -10.164 -0.790 1.00 0.00 H new ATOM 0 HG2 MET A 35 -5.307 -11.077 -1.440 1.00 0.00 H new ATOM 0 HG3 MET A 35 -5.530 -11.657 0.199 1.00 0.00 H new ATOM 0 HE1 MET A 35 -8.101 -8.752 0.156 1.00 0.00 H new ATOM 0 HE2 MET A 35 -7.729 -9.927 -1.127 1.00 0.00 H new ATOM 0 HE3 MET A 35 -7.787 -10.454 0.572 1.00 0.00 H new ATOM 510 N LYS A 36 -2.435 -12.010 -3.070 1.00 0.00 N ATOM 511 CA LYS A 36 -2.473 -12.288 -4.522 1.00 0.00 C ATOM 512 C LYS A 36 -1.860 -13.649 -4.899 1.00 0.00 C ATOM 513 O LYS A 36 -2.210 -14.201 -5.941 1.00 0.00 O ATOM 514 CB LYS A 36 -1.742 -11.159 -5.277 1.00 0.00 C ATOM 515 CG LYS A 36 -2.353 -9.746 -5.158 1.00 0.00 C ATOM 516 CD LYS A 36 -3.605 -9.486 -6.021 1.00 0.00 C ATOM 517 CE LYS A 36 -4.934 -10.013 -5.453 1.00 0.00 C ATOM 518 NZ LYS A 36 -5.379 -9.266 -4.244 1.00 0.00 N ATOM 0 H LYS A 36 -1.722 -11.327 -2.812 1.00 0.00 H new ATOM 0 HA LYS A 36 -3.523 -12.330 -4.811 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.714 -11.118 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.700 -11.425 -6.333 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.610 -9.568 -4.114 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.590 -9.016 -5.428 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.699 -8.411 -6.176 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.447 -9.936 -7.001 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -5.705 -9.945 -6.221 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -4.825 -11.068 -5.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.295 -9.639 -3.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.674 -9.379 -3.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.479 -8.257 -4.476 1.00 0.00 H new ATOM 532 N LYS A 37 -0.961 -14.183 -4.064 1.00 0.00 N ATOM 533 CA LYS A 37 -0.068 -15.334 -4.322 1.00 0.00 C ATOM 534 C LYS A 37 0.878 -15.135 -5.528 1.00 0.00 C ATOM 535 O LYS A 37 1.261 -16.098 -6.197 1.00 0.00 O ATOM 536 CB LYS A 37 -0.871 -16.653 -4.365 1.00 0.00 C ATOM 537 CG LYS A 37 -0.029 -17.856 -3.890 1.00 0.00 C ATOM 538 CD LYS A 37 -0.352 -19.159 -4.640 1.00 0.00 C ATOM 539 CE LYS A 37 0.230 -19.122 -6.068 1.00 0.00 C ATOM 540 NZ LYS A 37 0.028 -20.411 -6.783 1.00 0.00 N ATOM 0 H LYS A 37 -0.824 -13.803 -3.128 1.00 0.00 H new ATOM 0 HA LYS A 37 0.615 -15.405 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -1.757 -16.559 -3.737 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -1.219 -16.833 -5.382 1.00 0.00 H new ATOM 0 HG2 LYS A 37 1.028 -17.624 -4.018 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -0.195 -18.008 -2.824 1.00 0.00 H new ATOM 0 HD2 LYS A 37 0.059 -20.009 -4.096 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -1.432 -19.301 -4.685 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -0.241 -18.317 -6.631 1.00 0.00 H new ATOM 0 HE3 LYS A 37 1.295 -18.896 -6.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 0.433 -20.345 -7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 0.499 -21.176 -6.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -0.990 -20.614 -6.852 1.00 0.00 H new ATOM 554 N LEU A 38 1.235 -13.881 -5.821 1.00 0.00 N ATOM 555 CA LEU A 38 2.073 -13.459 -6.957 1.00 0.00 C ATOM 556 C LEU A 38 3.398 -12.817 -6.481 1.00 0.00 C ATOM 557 O LEU A 38 3.454 -12.294 -5.361 1.00 0.00 O ATOM 558 CB LEU A 38 1.274 -12.491 -7.861 1.00 0.00 C ATOM 559 CG LEU A 38 0.644 -13.152 -9.103 1.00 0.00 C ATOM 560 CD1 LEU A 38 -0.483 -14.135 -8.791 1.00 0.00 C ATOM 561 CD2 LEU A 38 0.058 -12.072 -10.013 1.00 0.00 C ATOM 0 H LEU A 38 0.935 -13.092 -5.248 1.00 0.00 H new ATOM 0 HA LEU A 38 2.341 -14.343 -7.536 1.00 0.00 H new ATOM 0 HB2 LEU A 38 0.483 -12.030 -7.269 1.00 0.00 H new ATOM 0 HB3 LEU A 38 1.936 -11.689 -8.188 1.00 0.00 H new ATOM 0 HG LEU A 38 1.453 -13.710 -9.574 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.869 -14.553 -9.721 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.101 -14.939 -8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -1.285 -13.615 -8.267 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -0.388 -12.539 -10.891 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -0.706 -11.515 -9.471 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.850 -11.391 -10.326 1.00 0.00 H new ATOM 573 N PRO A 39 4.465 -12.833 -7.307 1.00 0.00 N ATOM 574 CA PRO A 39 5.755 -12.224 -6.974 1.00 0.00 C ATOM 575 C PRO A 39 5.683 -10.681 -6.922 1.00 0.00 C ATOM 576 O PRO A 39 4.805 -10.076 -7.549 1.00 0.00 O ATOM 577 CB PRO A 39 6.726 -12.719 -8.054 1.00 0.00 C ATOM 578 CG PRO A 39 5.825 -12.924 -9.268 1.00 0.00 C ATOM 579 CD PRO A 39 4.516 -13.408 -8.647 1.00 0.00 C ATOM 0 HA PRO A 39 6.083 -12.513 -5.975 1.00 0.00 H new ATOM 0 HB2 PRO A 39 7.511 -11.990 -8.254 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.219 -13.645 -7.758 1.00 0.00 H new ATOM 0 HG2 PRO A 39 5.688 -12.000 -9.829 1.00 0.00 H new ATOM 0 HG3 PRO A 39 6.240 -13.658 -9.959 1.00 0.00 H new ATOM 0 HD2 PRO A 39 3.661 -13.087 -9.241 1.00 0.00 H new ATOM 0 HD3 PRO A 39 4.484 -14.497 -8.605 1.00 0.00 H new ATOM 587 N PRO A 40 6.617 -10.018 -6.208 1.00 0.00 N ATOM 588 CA PRO A 40 6.573 -8.573 -5.967 1.00 0.00 C ATOM 589 C PRO A 40 6.709 -7.714 -7.233 1.00 0.00 C ATOM 590 O PRO A 40 6.207 -6.592 -7.254 1.00 0.00 O ATOM 591 CB PRO A 40 7.706 -8.300 -4.970 1.00 0.00 C ATOM 592 CG PRO A 40 8.695 -9.436 -5.218 1.00 0.00 C ATOM 593 CD PRO A 40 7.764 -10.606 -5.527 1.00 0.00 C ATOM 0 HA PRO A 40 5.594 -8.289 -5.580 1.00 0.00 H new ATOM 0 HB2 PRO A 40 8.164 -7.326 -5.143 1.00 0.00 H new ATOM 0 HB3 PRO A 40 7.343 -8.303 -3.942 1.00 0.00 H new ATOM 0 HG2 PRO A 40 9.366 -9.218 -6.049 1.00 0.00 H new ATOM 0 HG3 PRO A 40 9.320 -9.631 -4.346 1.00 0.00 H new ATOM 0 HD2 PRO A 40 8.258 -11.346 -6.157 1.00 0.00 H new ATOM 0 HD3 PRO A 40 7.459 -11.117 -4.614 1.00 0.00 H new ATOM 601 N ASP A 41 7.338 -8.208 -8.304 1.00 0.00 N ATOM 602 CA ASP A 41 7.491 -7.439 -9.550 1.00 0.00 C ATOM 603 C ASP A 41 6.174 -7.274 -10.342 1.00 0.00 C ATOM 604 O ASP A 41 6.064 -6.376 -11.177 1.00 0.00 O ATOM 605 CB ASP A 41 8.585 -8.077 -10.420 1.00 0.00 C ATOM 606 CG ASP A 41 9.083 -7.159 -11.557 1.00 0.00 C ATOM 607 OD1 ASP A 41 8.984 -5.910 -11.447 1.00 0.00 O ATOM 608 OD2 ASP A 41 9.621 -7.694 -12.555 1.00 0.00 O ATOM 0 H ASP A 41 7.752 -9.140 -8.336 1.00 0.00 H new ATOM 0 HA ASP A 41 7.788 -6.429 -9.268 1.00 0.00 H new ATOM 0 HB2 ASP A 41 9.430 -8.348 -9.786 1.00 0.00 H new ATOM 0 HB3 ASP A 41 8.201 -9.001 -10.852 1.00 0.00 H new ATOM 613 N THR A 42 5.146 -8.085 -10.073 1.00 0.00 N ATOM 614 CA THR A 42 3.834 -7.998 -10.752 1.00 0.00 C ATOM 615 C THR A 42 2.892 -6.954 -10.113 1.00 0.00 C ATOM 616 O THR A 42 1.782 -6.725 -10.602 1.00 0.00 O ATOM 617 CB THR A 42 3.185 -9.395 -10.854 1.00 0.00 C ATOM 618 OG1 THR A 42 4.140 -10.366 -11.241 1.00 0.00 O ATOM 619 CG2 THR A 42 2.073 -9.475 -11.901 1.00 0.00 C ATOM 0 H THR A 42 5.193 -8.827 -9.375 1.00 0.00 H new ATOM 0 HA THR A 42 4.014 -7.637 -11.764 1.00 0.00 H new ATOM 0 HB THR A 42 2.775 -9.581 -9.861 1.00 0.00 H new ATOM 0 HG1 THR A 42 3.709 -11.244 -11.298 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.662 -10.484 -11.919 1.00 0.00 H new ATOM 0 HG22 THR A 42 1.284 -8.766 -11.649 1.00 0.00 H new ATOM 0 HG23 THR A 42 2.479 -9.231 -12.883 1.00 0.00 H new ATOM 627 N THR A 43 3.325 -6.276 -9.043 1.00 0.00 N ATOM 628 CA THR A 43 2.554 -5.256 -8.305 1.00 0.00 C ATOM 629 C THR A 43 3.401 -4.021 -7.964 1.00 0.00 C ATOM 630 O THR A 43 4.633 -4.084 -7.946 1.00 0.00 O ATOM 631 CB THR A 43 1.892 -5.881 -7.062 1.00 0.00 C ATOM 632 OG1 THR A 43 1.030 -4.952 -6.443 1.00 0.00 O ATOM 633 CG2 THR A 43 2.883 -6.351 -5.994 1.00 0.00 C ATOM 0 H THR A 43 4.254 -6.425 -8.650 1.00 0.00 H new ATOM 0 HA THR A 43 1.759 -4.895 -8.958 1.00 0.00 H new ATOM 0 HB THR A 43 1.357 -6.751 -7.441 1.00 0.00 H new ATOM 0 HG1 THR A 43 0.616 -5.364 -5.656 1.00 0.00 H new ATOM 0 HG21 THR A 43 2.336 -6.778 -5.153 1.00 0.00 H new ATOM 0 HG22 THR A 43 3.544 -7.107 -6.418 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.475 -5.503 -5.649 1.00 0.00 H new ATOM 641 N ARG A 44 2.761 -2.874 -7.716 1.00 0.00 N ATOM 642 CA ARG A 44 3.385 -1.606 -7.298 1.00 0.00 C ATOM 643 C ARG A 44 2.518 -0.875 -6.268 1.00 0.00 C ATOM 644 O ARG A 44 1.296 -0.820 -6.416 1.00 0.00 O ATOM 645 CB ARG A 44 3.643 -0.691 -8.518 1.00 0.00 C ATOM 646 CG ARG A 44 4.675 -1.195 -9.544 1.00 0.00 C ATOM 647 CD ARG A 44 6.098 -1.275 -8.968 1.00 0.00 C ATOM 648 NE ARG A 44 7.081 -1.706 -9.984 1.00 0.00 N ATOM 649 CZ ARG A 44 7.310 -2.946 -10.384 1.00 0.00 C ATOM 650 NH1 ARG A 44 6.654 -3.961 -9.919 1.00 0.00 N ATOM 651 NH2 ARG A 44 8.211 -3.216 -11.282 1.00 0.00 N ATOM 0 H ARG A 44 1.748 -2.796 -7.804 1.00 0.00 H new ATOM 0 HA ARG A 44 4.341 -1.848 -6.833 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.696 -0.534 -9.034 1.00 0.00 H new ATOM 0 HB3 ARG A 44 3.971 0.282 -8.152 1.00 0.00 H new ATOM 0 HG2 ARG A 44 4.376 -2.181 -9.899 1.00 0.00 H new ATOM 0 HG3 ARG A 44 4.675 -0.531 -10.409 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.386 -0.300 -8.575 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.112 -1.973 -8.131 1.00 0.00 H new ATOM 0 HE ARG A 44 7.640 -0.973 -10.421 1.00 0.00 H new ATOM 0 HH11 ARG A 44 5.928 -3.821 -9.216 1.00 0.00 H new ATOM 0 HH12 ARG A 44 6.863 -4.901 -10.256 1.00 0.00 H new ATOM 0 HH21 ARG A 44 8.761 -2.463 -11.695 1.00 0.00 H new ATOM 0 HH22 ARG A 44 8.368 -4.181 -11.573 1.00 0.00 H new ATOM 665 N LEU A 45 3.163 -0.281 -5.263 1.00 0.00 N ATOM 666 CA LEU A 45 2.568 0.586 -4.234 1.00 0.00 C ATOM 667 C LEU A 45 3.086 2.025 -4.390 1.00 0.00 C ATOM 668 O LEU A 45 4.300 2.244 -4.448 1.00 0.00 O ATOM 669 CB LEU A 45 2.881 -0.007 -2.841 1.00 0.00 C ATOM 670 CG LEU A 45 2.654 0.924 -1.627 1.00 0.00 C ATOM 671 CD1 LEU A 45 1.190 1.314 -1.424 1.00 0.00 C ATOM 672 CD2 LEU A 45 3.140 0.241 -0.346 1.00 0.00 C ATOM 0 H LEU A 45 4.168 -0.395 -5.134 1.00 0.00 H new ATOM 0 HA LEU A 45 1.485 0.628 -4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.270 -0.899 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.922 -0.329 -2.834 1.00 0.00 H new ATOM 0 HG LEU A 45 3.219 1.832 -1.838 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.105 1.967 -0.556 1.00 0.00 H new ATOM 0 HD12 LEU A 45 0.827 1.837 -2.309 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.593 0.416 -1.263 1.00 0.00 H new ATOM 0 HD21 LEU A 45 2.976 0.903 0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 45 2.587 -0.686 -0.195 1.00 0.00 H new ATOM 0 HD23 LEU A 45 4.203 0.019 -0.433 1.00 0.00 H new ATOM 684 N THR A 46 2.180 3.005 -4.397 1.00 0.00 N ATOM 685 CA THR A 46 2.519 4.441 -4.378 1.00 0.00 C ATOM 686 C THR A 46 1.631 5.239 -3.416 1.00 0.00 C ATOM 687 O THR A 46 0.513 4.836 -3.074 1.00 0.00 O ATOM 688 CB THR A 46 2.504 5.072 -5.786 1.00 0.00 C ATOM 689 OG1 THR A 46 1.235 4.966 -6.392 1.00 0.00 O ATOM 690 CG2 THR A 46 3.533 4.474 -6.748 1.00 0.00 C ATOM 0 H THR A 46 1.176 2.828 -4.416 1.00 0.00 H new ATOM 0 HA THR A 46 3.542 4.496 -4.006 1.00 0.00 H new ATOM 0 HB THR A 46 2.764 6.116 -5.612 1.00 0.00 H new ATOM 0 HG1 THR A 46 1.262 5.377 -7.281 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.459 4.971 -7.715 1.00 0.00 H new ATOM 0 HG22 THR A 46 4.535 4.616 -6.343 1.00 0.00 H new ATOM 0 HG23 THR A 46 3.339 3.409 -6.872 1.00 0.00 H new ATOM 698 N TYR A 47 2.153 6.375 -2.955 1.00 0.00 N ATOM 699 CA TYR A 47 1.519 7.302 -2.013 1.00 0.00 C ATOM 700 C TYR A 47 2.034 8.733 -2.251 1.00 0.00 C ATOM 701 O TYR A 47 3.236 8.936 -2.432 1.00 0.00 O ATOM 702 CB TYR A 47 1.813 6.829 -0.578 1.00 0.00 C ATOM 703 CG TYR A 47 1.569 7.879 0.495 1.00 0.00 C ATOM 704 CD1 TYR A 47 0.282 8.418 0.684 1.00 0.00 C ATOM 705 CD2 TYR A 47 2.653 8.372 1.246 1.00 0.00 C ATOM 706 CE1 TYR A 47 0.087 9.470 1.602 1.00 0.00 C ATOM 707 CE2 TYR A 47 2.460 9.411 2.179 1.00 0.00 C ATOM 708 CZ TYR A 47 1.175 9.970 2.351 1.00 0.00 C ATOM 709 OH TYR A 47 0.979 11.019 3.201 1.00 0.00 O ATOM 0 H TYR A 47 3.079 6.692 -3.243 1.00 0.00 H new ATOM 0 HA TYR A 47 0.440 7.313 -2.165 1.00 0.00 H new ATOM 0 HB2 TYR A 47 1.195 5.957 -0.363 1.00 0.00 H new ATOM 0 HB3 TYR A 47 2.852 6.505 -0.522 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -0.555 8.026 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 47 3.638 7.952 1.107 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -0.897 9.895 1.733 1.00 0.00 H new ATOM 0 HE2 TYR A 47 3.293 9.778 2.761 1.00 0.00 H new ATOM 0 HH TYR A 47 1.824 11.244 3.643 1.00 0.00 H new ATOM 719 N LYS A 48 1.134 9.729 -2.272 1.00 0.00 N ATOM 720 CA LYS A 48 1.454 11.167 -2.438 1.00 0.00 C ATOM 721 C LYS A 48 2.326 11.462 -3.683 1.00 0.00 C ATOM 722 O LYS A 48 3.215 12.314 -3.658 1.00 0.00 O ATOM 723 CB LYS A 48 2.002 11.717 -1.095 1.00 0.00 C ATOM 724 CG LYS A 48 1.456 13.101 -0.692 1.00 0.00 C ATOM 725 CD LYS A 48 1.889 14.287 -1.566 1.00 0.00 C ATOM 726 CE LYS A 48 3.403 14.533 -1.483 1.00 0.00 C ATOM 727 NZ LYS A 48 3.829 15.635 -2.386 1.00 0.00 N ATOM 0 H LYS A 48 0.134 9.558 -2.172 1.00 0.00 H new ATOM 0 HA LYS A 48 0.542 11.720 -2.664 1.00 0.00 H new ATOM 0 HB2 LYS A 48 1.767 11.005 -0.304 1.00 0.00 H new ATOM 0 HB3 LYS A 48 3.089 11.775 -1.159 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.367 13.053 -0.696 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.762 13.303 0.334 1.00 0.00 H new ATOM 0 HD2 LYS A 48 1.608 14.097 -2.602 1.00 0.00 H new ATOM 0 HD3 LYS A 48 1.357 15.185 -1.251 1.00 0.00 H new ATOM 0 HE2 LYS A 48 3.677 14.777 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.936 13.619 -1.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 4.856 15.773 -2.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.590 15.391 -3.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 3.339 16.512 -2.118 1.00 0.00 H new ATOM 741 N GLY A 49 2.100 10.724 -4.775 1.00 0.00 N ATOM 742 CA GLY A 49 2.864 10.835 -6.029 1.00 0.00 C ATOM 743 C GLY A 49 4.285 10.243 -5.986 1.00 0.00 C ATOM 744 O GLY A 49 5.102 10.555 -6.857 1.00 0.00 O ATOM 0 H GLY A 49 1.366 10.017 -4.816 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.305 10.338 -6.822 1.00 0.00 H new ATOM 0 HA3 GLY A 49 2.935 11.888 -6.301 1.00 0.00 H new ATOM 748 N ARG A 50 4.598 9.412 -4.981 1.00 0.00 N ATOM 749 CA ARG A 50 5.925 8.825 -4.703 1.00 0.00 C ATOM 750 C ARG A 50 5.842 7.302 -4.510 1.00 0.00 C ATOM 751 O ARG A 50 4.826 6.786 -4.042 1.00 0.00 O ATOM 752 CB ARG A 50 6.511 9.512 -3.443 1.00 0.00 C ATOM 753 CG ARG A 50 8.012 9.834 -3.525 1.00 0.00 C ATOM 754 CD ARG A 50 8.293 11.004 -4.482 1.00 0.00 C ATOM 755 NE ARG A 50 9.673 11.511 -4.332 1.00 0.00 N ATOM 756 CZ ARG A 50 10.755 11.131 -4.991 1.00 0.00 C ATOM 757 NH1 ARG A 50 10.731 10.201 -5.903 1.00 0.00 N ATOM 758 NH2 ARG A 50 11.905 11.689 -4.737 1.00 0.00 N ATOM 0 H ARG A 50 3.898 9.113 -4.302 1.00 0.00 H new ATOM 0 HA ARG A 50 6.579 8.996 -5.558 1.00 0.00 H new ATOM 0 HB2 ARG A 50 5.964 10.438 -3.263 1.00 0.00 H new ATOM 0 HB3 ARG A 50 6.338 8.867 -2.581 1.00 0.00 H new ATOM 0 HG2 ARG A 50 8.386 10.079 -2.531 1.00 0.00 H new ATOM 0 HG3 ARG A 50 8.555 8.951 -3.861 1.00 0.00 H new ATOM 0 HD2 ARG A 50 8.134 10.680 -5.510 1.00 0.00 H new ATOM 0 HD3 ARG A 50 7.586 11.810 -4.289 1.00 0.00 H new ATOM 0 HE ARG A 50 9.808 12.244 -3.635 1.00 0.00 H new ATOM 0 HH11 ARG A 50 9.853 9.735 -6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 50 11.590 9.939 -6.387 1.00 0.00 H new ATOM 0 HH21 ARG A 50 11.972 12.420 -4.029 1.00 0.00 H new ATOM 0 HH22 ARG A 50 12.738 11.395 -5.246 1.00 0.00 H new ATOM 772 N ALA A 51 6.920 6.580 -4.819 1.00 0.00 N ATOM 773 CA ALA A 51 7.141 5.222 -4.312 1.00 0.00 C ATOM 774 C ALA A 51 7.616 5.286 -2.845 1.00 0.00 C ATOM 775 O ALA A 51 8.484 6.099 -2.510 1.00 0.00 O ATOM 776 CB ALA A 51 8.148 4.504 -5.222 1.00 0.00 C ATOM 0 H ALA A 51 7.665 6.919 -5.428 1.00 0.00 H new ATOM 0 HA ALA A 51 6.213 4.651 -4.326 1.00 0.00 H new ATOM 0 HB1 ALA A 51 8.317 3.493 -4.851 1.00 0.00 H new ATOM 0 HB2 ALA A 51 7.752 4.457 -6.237 1.00 0.00 H new ATOM 0 HB3 ALA A 51 9.090 5.052 -5.225 1.00 0.00 H new ATOM 782 N LEU A 52 7.057 4.439 -1.973 1.00 0.00 N ATOM 783 CA LEU A 52 7.389 4.398 -0.544 1.00 0.00 C ATOM 784 C LEU A 52 8.207 3.131 -0.233 1.00 0.00 C ATOM 785 O LEU A 52 7.725 2.011 -0.425 1.00 0.00 O ATOM 786 CB LEU A 52 6.080 4.535 0.265 1.00 0.00 C ATOM 787 CG LEU A 52 6.264 5.121 1.680 1.00 0.00 C ATOM 788 CD1 LEU A 52 6.663 6.601 1.656 1.00 0.00 C ATOM 789 CD2 LEU A 52 4.956 5.010 2.464 1.00 0.00 C ATOM 0 H LEU A 52 6.352 3.754 -2.244 1.00 0.00 H new ATOM 0 HA LEU A 52 8.029 5.231 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 52 5.389 5.169 -0.290 1.00 0.00 H new ATOM 0 HB3 LEU A 52 5.615 3.553 0.349 1.00 0.00 H new ATOM 0 HG LEU A 52 7.063 4.547 2.150 1.00 0.00 H new ATOM 0 HD11 LEU A 52 6.779 6.963 2.678 1.00 0.00 H new ATOM 0 HD12 LEU A 52 7.606 6.715 1.121 1.00 0.00 H new ATOM 0 HD13 LEU A 52 5.888 7.179 1.152 1.00 0.00 H new ATOM 0 HD21 LEU A 52 5.094 5.426 3.462 1.00 0.00 H new ATOM 0 HD22 LEU A 52 4.173 5.563 1.945 1.00 0.00 H new ATOM 0 HD23 LEU A 52 4.668 3.962 2.544 1.00 0.00 H new ATOM 801 N LYS A 53 9.464 3.308 0.196 1.00 0.00 N ATOM 802 CA LYS A 53 10.466 2.234 0.342 1.00 0.00 C ATOM 803 C LYS A 53 11.465 2.542 1.465 1.00 0.00 C ATOM 804 O LYS A 53 11.881 3.688 1.622 1.00 0.00 O ATOM 805 CB LYS A 53 11.197 2.055 -1.009 1.00 0.00 C ATOM 806 CG LYS A 53 11.952 0.716 -1.142 1.00 0.00 C ATOM 807 CD LYS A 53 11.045 -0.485 -1.495 1.00 0.00 C ATOM 808 CE LYS A 53 10.522 -0.446 -2.945 1.00 0.00 C ATOM 809 NZ LYS A 53 11.596 -0.677 -3.958 1.00 0.00 N ATOM 0 H LYS A 53 9.825 4.225 0.459 1.00 0.00 H new ATOM 0 HA LYS A 53 9.959 1.309 0.616 1.00 0.00 H new ATOM 0 HB2 LYS A 53 10.469 2.132 -1.817 1.00 0.00 H new ATOM 0 HB3 LYS A 53 11.905 2.874 -1.139 1.00 0.00 H new ATOM 0 HG2 LYS A 53 12.718 0.818 -1.910 1.00 0.00 H new ATOM 0 HG3 LYS A 53 12.467 0.506 -0.204 1.00 0.00 H new ATOM 0 HD2 LYS A 53 11.601 -1.410 -1.341 1.00 0.00 H new ATOM 0 HD3 LYS A 53 10.197 -0.505 -0.810 1.00 0.00 H new ATOM 0 HE2 LYS A 53 9.747 -1.202 -3.066 1.00 0.00 H new ATOM 0 HE3 LYS A 53 10.056 0.521 -3.132 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 11.176 -0.707 -4.909 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 12.290 0.096 -3.911 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 12.071 -1.581 -3.761 1.00 0.00 H new ATOM 823 N ASP A 54 11.854 1.518 2.229 1.00 0.00 N ATOM 824 CA ASP A 54 12.885 1.569 3.284 1.00 0.00 C ATOM 825 C ASP A 54 12.650 2.650 4.374 1.00 0.00 C ATOM 826 O ASP A 54 13.589 3.148 4.996 1.00 0.00 O ATOM 827 CB ASP A 54 14.288 1.627 2.643 1.00 0.00 C ATOM 828 CG ASP A 54 15.436 1.219 3.589 1.00 0.00 C ATOM 829 OD1 ASP A 54 15.221 0.426 4.538 1.00 0.00 O ATOM 830 OD2 ASP A 54 16.591 1.649 3.344 1.00 0.00 O ATOM 0 H ASP A 54 11.445 0.589 2.130 1.00 0.00 H new ATOM 0 HA ASP A 54 12.807 0.642 3.852 1.00 0.00 H new ATOM 0 HB2 ASP A 54 14.303 0.974 1.770 1.00 0.00 H new ATOM 0 HB3 ASP A 54 14.470 2.641 2.286 1.00 0.00 H new ATOM 835 N THR A 55 11.388 3.033 4.602 1.00 0.00 N ATOM 836 CA THR A 55 10.970 4.022 5.616 1.00 0.00 C ATOM 837 C THR A 55 11.005 3.467 7.044 1.00 0.00 C ATOM 838 O THR A 55 11.169 4.218 8.005 1.00 0.00 O ATOM 839 CB THR A 55 9.543 4.510 5.322 1.00 0.00 C ATOM 840 OG1 THR A 55 8.658 3.412 5.225 1.00 0.00 O ATOM 841 CG2 THR A 55 9.452 5.296 4.018 1.00 0.00 C ATOM 0 H THR A 55 10.602 2.655 4.073 1.00 0.00 H new ATOM 0 HA THR A 55 11.685 4.842 5.554 1.00 0.00 H new ATOM 0 HB THR A 55 9.268 5.164 6.149 1.00 0.00 H new ATOM 0 HG1 THR A 55 7.752 3.737 5.039 1.00 0.00 H new ATOM 0 HG21 THR A 55 8.423 5.617 3.858 1.00 0.00 H new ATOM 0 HG22 THR A 55 10.101 6.170 4.074 1.00 0.00 H new ATOM 0 HG23 THR A 55 9.767 4.663 3.189 1.00 0.00 H new ATOM 849 N GLU A 56 10.853 2.146 7.190 1.00 0.00 N ATOM 850 CA GLU A 56 10.702 1.360 8.429 1.00 0.00 C ATOM 851 C GLU A 56 9.423 1.665 9.241 1.00 0.00 C ATOM 852 O GLU A 56 8.703 0.734 9.595 1.00 0.00 O ATOM 853 CB GLU A 56 11.993 1.413 9.271 1.00 0.00 C ATOM 854 CG GLU A 56 12.210 0.077 10.025 1.00 0.00 C ATOM 855 CD GLU A 56 13.558 0.066 10.774 1.00 0.00 C ATOM 856 OE1 GLU A 56 13.901 1.058 11.463 1.00 0.00 O ATOM 857 OE2 GLU A 56 14.301 -0.941 10.679 1.00 0.00 O ATOM 0 H GLU A 56 10.830 1.540 6.370 1.00 0.00 H new ATOM 0 HA GLU A 56 10.551 0.327 8.116 1.00 0.00 H new ATOM 0 HB2 GLU A 56 12.847 1.614 8.624 1.00 0.00 H new ATOM 0 HB3 GLU A 56 11.934 2.234 9.985 1.00 0.00 H new ATOM 0 HG2 GLU A 56 11.397 -0.079 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 56 12.179 -0.751 9.317 1.00 0.00 H new ATOM 864 N THR A 57 9.086 2.938 9.468 1.00 0.00 N ATOM 865 CA THR A 57 7.854 3.413 10.132 1.00 0.00 C ATOM 866 C THR A 57 7.465 4.816 9.660 1.00 0.00 C ATOM 867 O THR A 57 8.315 5.698 9.538 1.00 0.00 O ATOM 868 CB THR A 57 7.969 3.423 11.674 1.00 0.00 C ATOM 869 OG1 THR A 57 9.303 3.517 12.142 1.00 0.00 O ATOM 870 CG2 THR A 57 7.357 2.161 12.281 1.00 0.00 C ATOM 0 H THR A 57 9.690 3.708 9.182 1.00 0.00 H new ATOM 0 HA THR A 57 7.080 2.700 9.848 1.00 0.00 H new ATOM 0 HB THR A 57 7.426 4.314 11.988 1.00 0.00 H new ATOM 0 HG1 THR A 57 9.306 3.520 13.122 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.453 2.196 13.366 1.00 0.00 H new ATOM 0 HG22 THR A 57 6.303 2.102 12.011 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.879 1.284 11.899 1.00 0.00 H new ATOM 878 N LEU A 58 6.165 5.056 9.440 1.00 0.00 N ATOM 879 CA LEU A 58 5.638 6.344 8.954 1.00 0.00 C ATOM 880 C LEU A 58 5.862 7.477 9.968 1.00 0.00 C ATOM 881 O LEU A 58 6.185 8.598 9.582 1.00 0.00 O ATOM 882 CB LEU A 58 4.136 6.193 8.622 1.00 0.00 C ATOM 883 CG LEU A 58 3.832 5.658 7.206 1.00 0.00 C ATOM 884 CD1 LEU A 58 4.383 4.253 6.935 1.00 0.00 C ATOM 885 CD2 LEU A 58 2.317 5.621 6.991 1.00 0.00 C ATOM 0 H LEU A 58 5.440 4.356 9.595 1.00 0.00 H new ATOM 0 HA LEU A 58 6.184 6.617 8.051 1.00 0.00 H new ATOM 0 HB2 LEU A 58 3.683 5.522 9.352 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.654 7.164 8.739 1.00 0.00 H new ATOM 0 HG LEU A 58 4.330 6.340 6.517 1.00 0.00 H new ATOM 0 HD11 LEU A 58 4.127 3.951 5.919 1.00 0.00 H new ATOM 0 HD12 LEU A 58 5.467 4.259 7.049 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.948 3.548 7.644 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.100 5.244 5.992 1.00 0.00 H new ATOM 0 HD22 LEU A 58 1.860 4.966 7.733 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.910 6.627 7.095 1.00 0.00 H new ATOM 897 N GLU A 59 5.738 7.193 11.268 1.00 0.00 N ATOM 898 CA GLU A 59 5.946 8.182 12.341 1.00 0.00 C ATOM 899 C GLU A 59 7.399 8.692 12.444 1.00 0.00 C ATOM 900 O GLU A 59 7.630 9.765 13.007 1.00 0.00 O ATOM 901 CB GLU A 59 5.438 7.623 13.681 1.00 0.00 C ATOM 902 CG GLU A 59 6.201 6.387 14.190 1.00 0.00 C ATOM 903 CD GLU A 59 5.823 5.990 15.638 1.00 0.00 C ATOM 904 OE1 GLU A 59 4.767 6.433 16.158 1.00 0.00 O ATOM 905 OE2 GLU A 59 6.595 5.223 16.268 1.00 0.00 O ATOM 0 H GLU A 59 5.489 6.266 11.612 1.00 0.00 H new ATOM 0 HA GLU A 59 5.358 9.062 12.079 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.501 8.408 14.434 1.00 0.00 H new ATOM 0 HB3 GLU A 59 4.384 7.365 13.576 1.00 0.00 H new ATOM 0 HG2 GLU A 59 6.002 5.546 13.526 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.272 6.584 14.142 1.00 0.00 H new ATOM 912 N SER A 60 8.372 7.975 11.865 1.00 0.00 N ATOM 913 CA SER A 60 9.781 8.394 11.803 1.00 0.00 C ATOM 914 C SER A 60 10.039 9.495 10.761 1.00 0.00 C ATOM 915 O SER A 60 10.974 10.283 10.924 1.00 0.00 O ATOM 916 CB SER A 60 10.677 7.189 11.493 1.00 0.00 C ATOM 917 OG SER A 60 10.446 6.139 12.421 1.00 0.00 O ATOM 0 H SER A 60 8.201 7.074 11.419 1.00 0.00 H new ATOM 0 HA SER A 60 10.021 8.809 12.782 1.00 0.00 H new ATOM 0 HB2 SER A 60 10.482 6.836 10.481 1.00 0.00 H new ATOM 0 HB3 SER A 60 11.724 7.489 11.530 1.00 0.00 H new ATOM 0 HG SER A 60 10.045 5.375 11.957 1.00 0.00 H new ATOM 923 N LEU A 61 9.219 9.566 9.702 1.00 0.00 N ATOM 924 CA LEU A 61 9.275 10.607 8.663 1.00 0.00 C ATOM 925 C LEU A 61 8.240 11.721 8.905 1.00 0.00 C ATOM 926 O LEU A 61 8.542 12.902 8.709 1.00 0.00 O ATOM 927 CB LEU A 61 9.067 9.978 7.268 1.00 0.00 C ATOM 928 CG LEU A 61 10.231 9.098 6.763 1.00 0.00 C ATOM 929 CD1 LEU A 61 10.161 7.656 7.273 1.00 0.00 C ATOM 930 CD2 LEU A 61 10.216 9.035 5.233 1.00 0.00 C ATOM 0 H LEU A 61 8.479 8.883 9.540 1.00 0.00 H new ATOM 0 HA LEU A 61 10.263 11.064 8.710 1.00 0.00 H new ATOM 0 HB2 LEU A 61 8.160 9.374 7.291 1.00 0.00 H new ATOM 0 HB3 LEU A 61 8.899 10.779 6.548 1.00 0.00 H new ATOM 0 HG LEU A 61 11.141 9.562 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 61 11.007 7.090 6.882 1.00 0.00 H new ATOM 0 HD12 LEU A 61 10.195 7.653 8.362 1.00 0.00 H new ATOM 0 HD13 LEU A 61 9.231 7.196 6.938 1.00 0.00 H new ATOM 0 HD21 LEU A 61 11.041 8.412 4.886 1.00 0.00 H new ATOM 0 HD22 LEU A 61 9.272 8.608 4.896 1.00 0.00 H new ATOM 0 HD23 LEU A 61 10.325 10.040 4.826 1.00 0.00 H new ATOM 942 N GLY A 62 7.031 11.354 9.342 1.00 0.00 N ATOM 943 CA GLY A 62 5.914 12.262 9.620 1.00 0.00 C ATOM 944 C GLY A 62 4.568 11.615 9.280 1.00 0.00 C ATOM 945 O GLY A 62 4.117 11.676 8.134 1.00 0.00 O ATOM 0 H GLY A 62 6.795 10.378 9.519 1.00 0.00 H new ATOM 0 HA2 GLY A 62 5.927 12.546 10.672 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.035 13.178 9.042 1.00 0.00 H new ATOM 949 N VAL A 63 3.932 10.988 10.275 1.00 0.00 N ATOM 950 CA VAL A 63 2.609 10.343 10.143 1.00 0.00 C ATOM 951 C VAL A 63 1.472 11.379 10.092 1.00 0.00 C ATOM 952 O VAL A 63 1.554 12.439 10.718 1.00 0.00 O ATOM 953 CB VAL A 63 2.404 9.279 11.247 1.00 0.00 C ATOM 954 CG1 VAL A 63 2.347 9.866 12.664 1.00 0.00 C ATOM 955 CG2 VAL A 63 1.149 8.425 11.028 1.00 0.00 C ATOM 0 H VAL A 63 4.324 10.910 11.213 1.00 0.00 H new ATOM 0 HA VAL A 63 2.579 9.819 9.187 1.00 0.00 H new ATOM 0 HB VAL A 63 3.290 8.650 11.165 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.202 9.062 13.385 1.00 0.00 H new ATOM 0 HG12 VAL A 63 3.281 10.384 12.881 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.518 10.570 12.733 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.059 7.697 11.834 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.269 9.068 11.019 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.226 7.903 10.074 1.00 0.00 H new ATOM 965 N ALA A 64 0.407 11.065 9.350 1.00 0.00 N ATOM 966 CA ALA A 64 -0.801 11.885 9.205 1.00 0.00 C ATOM 967 C ALA A 64 -2.068 11.016 9.023 1.00 0.00 C ATOM 968 O ALA A 64 -1.987 9.812 8.758 1.00 0.00 O ATOM 969 CB ALA A 64 -0.597 12.862 8.036 1.00 0.00 C ATOM 0 H ALA A 64 0.360 10.199 8.813 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.962 12.455 10.120 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -1.488 13.478 7.917 1.00 0.00 H new ATOM 0 HB2 ALA A 64 0.261 13.501 8.242 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -0.419 12.300 7.119 1.00 0.00 H new ATOM 975 N ASP A 65 -3.246 11.623 9.193 1.00 0.00 N ATOM 976 CA ASP A 65 -4.557 10.973 9.034 1.00 0.00 C ATOM 977 C ASP A 65 -5.156 11.172 7.631 1.00 0.00 C ATOM 978 O ASP A 65 -5.000 12.232 7.018 1.00 0.00 O ATOM 979 CB ASP A 65 -5.526 11.477 10.118 1.00 0.00 C ATOM 980 CG ASP A 65 -5.072 11.115 11.539 1.00 0.00 C ATOM 981 OD1 ASP A 65 -4.565 9.984 11.738 1.00 0.00 O ATOM 982 OD2 ASP A 65 -5.267 11.936 12.467 1.00 0.00 O ATOM 0 H ASP A 65 -3.320 12.607 9.452 1.00 0.00 H new ATOM 0 HA ASP A 65 -4.404 9.900 9.153 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -5.622 12.560 10.037 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -6.515 11.055 9.939 1.00 0.00 H new ATOM 987 N GLY A 66 -5.886 10.164 7.136 1.00 0.00 N ATOM 988 CA GLY A 66 -6.581 10.215 5.844 1.00 0.00 C ATOM 989 C GLY A 66 -5.684 9.982 4.621 1.00 0.00 C ATOM 990 O GLY A 66 -6.062 10.358 3.510 1.00 0.00 O ATOM 0 H GLY A 66 -6.012 9.279 7.628 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -7.373 9.466 5.844 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -7.062 11.188 5.744 1.00 0.00 H new ATOM 994 N ASP A 67 -4.503 9.380 4.802 1.00 0.00 N ATOM 995 CA ASP A 67 -3.582 9.016 3.711 1.00 0.00 C ATOM 996 C ASP A 67 -4.229 8.012 2.737 1.00 0.00 C ATOM 997 O ASP A 67 -4.991 7.137 3.159 1.00 0.00 O ATOM 998 CB ASP A 67 -2.263 8.446 4.270 1.00 0.00 C ATOM 999 CG ASP A 67 -1.440 9.398 5.163 1.00 0.00 C ATOM 1000 OD1 ASP A 67 -1.748 10.611 5.250 1.00 0.00 O ATOM 1001 OD2 ASP A 67 -0.453 8.917 5.771 1.00 0.00 O ATOM 0 H ASP A 67 -4.151 9.126 5.725 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.359 9.927 3.156 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -2.493 7.549 4.844 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -1.639 8.137 3.431 1.00 0.00 H new ATOM 1006 N LYS A 68 -3.929 8.128 1.434 1.00 0.00 N ATOM 1007 CA LYS A 68 -4.499 7.286 0.362 1.00 0.00 C ATOM 1008 C LYS A 68 -3.410 6.502 -0.376 1.00 0.00 C ATOM 1009 O LYS A 68 -2.597 7.087 -1.095 1.00 0.00 O ATOM 1010 CB LYS A 68 -5.346 8.126 -0.616 1.00 0.00 C ATOM 1011 CG LYS A 68 -6.503 8.889 0.064 1.00 0.00 C ATOM 1012 CD LYS A 68 -6.246 10.393 0.266 1.00 0.00 C ATOM 1013 CE LYS A 68 -6.223 11.199 -1.045 1.00 0.00 C ATOM 1014 NZ LYS A 68 -7.574 11.338 -1.659 1.00 0.00 N ATOM 0 H LYS A 68 -3.270 8.824 1.085 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.160 6.559 0.833 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -4.698 8.842 -1.122 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -5.757 7.470 -1.383 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -7.405 8.765 -0.536 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -6.700 8.434 1.034 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -7.018 10.800 0.919 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.293 10.524 0.779 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -5.813 12.190 -0.850 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.554 10.712 -1.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -7.501 11.889 -2.538 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.957 10.395 -1.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -8.208 11.828 -0.996 1.00 0.00 H new ATOM 1028 N PHE A 69 -3.393 5.184 -0.198 1.00 0.00 N ATOM 1029 CA PHE A 69 -2.440 4.267 -0.830 1.00 0.00 C ATOM 1030 C PHE A 69 -2.993 3.708 -2.151 1.00 0.00 C ATOM 1031 O PHE A 69 -4.127 3.230 -2.204 1.00 0.00 O ATOM 1032 CB PHE A 69 -2.091 3.140 0.158 1.00 0.00 C ATOM 1033 CG PHE A 69 -1.613 3.569 1.542 1.00 0.00 C ATOM 1034 CD1 PHE A 69 -0.871 4.755 1.733 1.00 0.00 C ATOM 1035 CD2 PHE A 69 -1.910 2.757 2.655 1.00 0.00 C ATOM 1036 CE1 PHE A 69 -0.449 5.131 3.022 1.00 0.00 C ATOM 1037 CE2 PHE A 69 -1.487 3.133 3.944 1.00 0.00 C ATOM 1038 CZ PHE A 69 -0.761 4.323 4.129 1.00 0.00 C ATOM 0 H PHE A 69 -4.061 4.707 0.408 1.00 0.00 H new ATOM 0 HA PHE A 69 -1.530 4.813 -1.079 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -2.972 2.510 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -1.317 2.519 -0.293 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -0.626 5.377 0.885 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -2.465 1.841 2.518 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.115 6.041 3.161 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -1.720 2.506 4.792 1.00 0.00 H new ATOM 0 HZ PHE A 69 -0.444 4.615 5.119 1.00 0.00 H new ATOM 1048 N VAL A 70 -2.195 3.744 -3.220 1.00 0.00 N ATOM 1049 CA VAL A 70 -2.579 3.262 -4.560 1.00 0.00 C ATOM 1050 C VAL A 70 -1.816 1.982 -4.902 1.00 0.00 C ATOM 1051 O VAL A 70 -0.585 1.955 -4.833 1.00 0.00 O ATOM 1052 CB VAL A 70 -2.362 4.351 -5.631 1.00 0.00 C ATOM 1053 CG1 VAL A 70 -2.801 3.876 -7.024 1.00 0.00 C ATOM 1054 CG2 VAL A 70 -3.128 5.643 -5.307 1.00 0.00 C ATOM 0 H VAL A 70 -1.245 4.115 -3.184 1.00 0.00 H new ATOM 0 HA VAL A 70 -3.644 3.031 -4.549 1.00 0.00 H new ATOM 0 HB VAL A 70 -1.291 4.553 -5.629 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.632 4.672 -7.750 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.222 2.997 -7.308 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -3.861 3.622 -7.005 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.945 6.380 -6.089 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -4.195 5.429 -5.253 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -2.788 6.037 -4.349 1.00 0.00 H new ATOM 1064 N LEU A 71 -2.548 0.934 -5.289 1.00 0.00 N ATOM 1065 CA LEU A 71 -2.023 -0.377 -5.688 1.00 0.00 C ATOM 1066 C LEU A 71 -2.288 -0.627 -7.179 1.00 0.00 C ATOM 1067 O LEU A 71 -3.440 -0.662 -7.616 1.00 0.00 O ATOM 1068 CB LEU A 71 -2.667 -1.477 -4.817 1.00 0.00 C ATOM 1069 CG LEU A 71 -1.782 -2.025 -3.689 1.00 0.00 C ATOM 1070 CD1 LEU A 71 -1.355 -0.947 -2.694 1.00 0.00 C ATOM 1071 CD2 LEU A 71 -2.581 -3.090 -2.940 1.00 0.00 C ATOM 0 H LEU A 71 -3.566 0.977 -5.335 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.944 -0.397 -5.534 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -3.582 -1.080 -4.378 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -2.957 -2.305 -5.463 1.00 0.00 H new ATOM 0 HG LEU A 71 -0.875 -2.429 -4.139 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -0.731 -1.393 -1.919 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -0.789 -0.175 -3.215 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -2.239 -0.503 -2.237 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -1.975 -3.498 -2.131 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -3.485 -2.643 -2.526 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -2.854 -3.891 -3.628 1.00 0.00 H new ATOM 1083 N ILE A 72 -1.222 -0.846 -7.950 1.00 0.00 N ATOM 1084 CA ILE A 72 -1.270 -1.120 -9.395 1.00 0.00 C ATOM 1085 C ILE A 72 -0.766 -2.542 -9.674 1.00 0.00 C ATOM 1086 O ILE A 72 0.351 -2.893 -9.297 1.00 0.00 O ATOM 1087 CB ILE A 72 -0.468 -0.058 -10.183 1.00 0.00 C ATOM 1088 CG1 ILE A 72 -0.923 1.394 -9.908 1.00 0.00 C ATOM 1089 CG2 ILE A 72 -0.499 -0.348 -11.697 1.00 0.00 C ATOM 1090 CD1 ILE A 72 -2.377 1.730 -10.270 1.00 0.00 C ATOM 0 H ILE A 72 -0.272 -0.838 -7.580 1.00 0.00 H new ATOM 0 HA ILE A 72 -2.303 -1.057 -9.736 1.00 0.00 H new ATOM 0 HB ILE A 72 0.557 -0.137 -9.820 1.00 0.00 H new ATOM 0 HG12 ILE A 72 -0.777 1.604 -8.848 1.00 0.00 H new ATOM 0 HG13 ILE A 72 -0.268 2.068 -10.460 1.00 0.00 H new ATOM 0 HG21 ILE A 72 0.073 0.415 -12.225 1.00 0.00 H new ATOM 0 HG22 ILE A 72 -0.061 -1.328 -11.889 1.00 0.00 H new ATOM 0 HG23 ILE A 72 -1.531 -0.336 -12.049 1.00 0.00 H new ATOM 0 HD11 ILE A 72 -2.579 2.774 -10.033 1.00 0.00 H new ATOM 0 HD12 ILE A 72 -2.535 1.563 -11.336 1.00 0.00 H new ATOM 0 HD13 ILE A 72 -3.051 1.091 -9.699 1.00 0.00 H new ATOM 1102 N THR A 73 -1.576 -3.349 -10.364 1.00 0.00 N ATOM 1103 CA THR A 73 -1.202 -4.690 -10.852 1.00 0.00 C ATOM 1104 C THR A 73 -0.782 -4.658 -12.330 1.00 0.00 C ATOM 1105 O THR A 73 -1.193 -3.760 -13.073 1.00 0.00 O ATOM 1106 CB THR A 73 -2.343 -5.698 -10.602 1.00 0.00 C ATOM 1107 OG1 THR A 73 -1.881 -7.017 -10.797 1.00 0.00 O ATOM 1108 CG2 THR A 73 -3.547 -5.504 -11.530 1.00 0.00 C ATOM 0 H THR A 73 -2.532 -3.088 -10.607 1.00 0.00 H new ATOM 0 HA THR A 73 -0.333 -5.024 -10.286 1.00 0.00 H new ATOM 0 HB THR A 73 -2.662 -5.522 -9.575 1.00 0.00 H new ATOM 0 HG1 THR A 73 -2.613 -7.648 -10.634 1.00 0.00 H new ATOM 0 HG21 THR A 73 -4.309 -6.247 -11.297 1.00 0.00 H new ATOM 0 HG22 THR A 73 -3.959 -4.505 -11.388 1.00 0.00 H new ATOM 0 HG23 THR A 73 -3.230 -5.622 -12.566 1.00 0.00 H new ATOM 1116 N ARG A 74 0.024 -5.632 -12.771 1.00 0.00 N ATOM 1117 CA ARG A 74 0.380 -5.867 -14.184 1.00 0.00 C ATOM 1118 C ARG A 74 -0.143 -7.225 -14.669 1.00 0.00 C ATOM 1119 O ARG A 74 -0.040 -8.227 -13.964 1.00 0.00 O ATOM 1120 CB ARG A 74 1.901 -5.747 -14.418 1.00 0.00 C ATOM 1121 CG ARG A 74 2.396 -4.296 -14.543 1.00 0.00 C ATOM 1122 CD ARG A 74 2.628 -3.577 -13.203 1.00 0.00 C ATOM 1123 NE ARG A 74 2.832 -2.125 -13.404 1.00 0.00 N ATOM 1124 CZ ARG A 74 3.919 -1.510 -13.850 1.00 0.00 C ATOM 1125 NH1 ARG A 74 5.025 -2.145 -14.125 1.00 0.00 N ATOM 1126 NH2 ARG A 74 3.908 -0.219 -14.042 1.00 0.00 N ATOM 0 H ARG A 74 0.462 -6.301 -12.138 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.105 -5.088 -14.772 1.00 0.00 H new ATOM 0 HB2 ARG A 74 2.425 -6.230 -13.594 1.00 0.00 H new ATOM 0 HB3 ARG A 74 2.164 -6.290 -15.326 1.00 0.00 H new ATOM 0 HG2 ARG A 74 3.328 -4.292 -15.108 1.00 0.00 H new ATOM 0 HG3 ARG A 74 1.669 -3.728 -15.123 1.00 0.00 H new ATOM 0 HD2 ARG A 74 1.773 -3.740 -12.547 1.00 0.00 H new ATOM 0 HD3 ARG A 74 3.498 -4.004 -12.704 1.00 0.00 H new ATOM 0 HE ARG A 74 2.041 -1.525 -13.171 1.00 0.00 H new ATOM 0 HH11 ARG A 74 5.078 -3.156 -13.999 1.00 0.00 H new ATOM 0 HH12 ARG A 74 5.837 -1.631 -14.466 1.00 0.00 H new ATOM 0 HH21 ARG A 74 3.063 0.318 -13.849 1.00 0.00 H new ATOM 0 HH22 ARG A 74 4.745 0.253 -14.385 1.00 0.00 H new ATOM 1140 N THR A 75 -0.665 -7.258 -15.902 1.00 0.00 N ATOM 1141 CA THR A 75 -1.151 -8.495 -16.570 1.00 0.00 C ATOM 1142 C THR A 75 -0.787 -8.524 -18.061 1.00 0.00 C ATOM 1143 O THR A 75 -0.152 -9.470 -18.527 1.00 0.00 O ATOM 1144 CB THR A 75 -2.676 -8.707 -16.402 1.00 0.00 C ATOM 1145 OG1 THR A 75 -3.122 -8.391 -15.081 1.00 0.00 O ATOM 1146 CG2 THR A 75 -3.074 -10.174 -16.668 1.00 0.00 C ATOM 0 H THR A 75 -0.767 -6.423 -16.479 1.00 0.00 H new ATOM 0 HA THR A 75 -0.640 -9.316 -16.067 1.00 0.00 H new ATOM 0 HB THR A 75 -3.143 -8.040 -17.126 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.089 -8.537 -15.019 1.00 0.00 H new ATOM 0 HG21 THR A 75 -4.151 -10.288 -16.541 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.798 -10.447 -17.686 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.555 -10.825 -15.964 1.00 0.00 H new ATOM 1154 N VAL A 76 -1.148 -7.470 -18.808 1.00 0.00 N ATOM 1155 CA VAL A 76 -0.827 -7.313 -20.245 1.00 0.00 C ATOM 1156 C VAL A 76 0.588 -6.747 -20.488 1.00 0.00 C ATOM 1157 O VAL A 76 1.193 -7.026 -21.529 1.00 0.00 O ATOM 1158 CB VAL A 76 -1.930 -6.475 -20.932 1.00 0.00 C ATOM 1159 CG1 VAL A 76 -1.960 -5.006 -20.483 1.00 0.00 C ATOM 1160 CG2 VAL A 76 -1.823 -6.508 -22.458 1.00 0.00 C ATOM 0 H VAL A 76 -1.680 -6.687 -18.429 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.811 -8.303 -20.700 1.00 0.00 H new ATOM 0 HB VAL A 76 -2.858 -6.952 -20.615 1.00 0.00 H new ATOM 0 HG11 VAL A 76 -2.759 -4.482 -21.007 1.00 0.00 H new ATOM 0 HG12 VAL A 76 -2.138 -4.957 -19.409 1.00 0.00 H new ATOM 0 HG13 VAL A 76 -1.004 -4.535 -20.714 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -2.620 -5.904 -22.892 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.857 -6.107 -22.764 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -1.916 -7.536 -22.807 1.00 0.00 H new ATOM 1170 N GLY A 77 1.123 -5.966 -19.536 1.00 0.00 N ATOM 1171 CA GLY A 77 2.459 -5.345 -19.586 1.00 0.00 C ATOM 1172 C GLY A 77 3.610 -6.340 -19.438 1.00 0.00 C ATOM 1173 O GLY A 77 4.522 -6.325 -20.293 1.00 0.00 O ATOM 1174 OXT GLY A 77 3.615 -7.106 -18.449 1.00 0.00 O ATOM 0 H GLY A 77 0.619 -5.741 -18.678 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.568 -4.816 -20.533 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.532 -4.599 -18.794 1.00 0.00 H new TER 1178 GLY A 77