USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -120:sc= -0.118 (180deg=-0.879) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 76:sc= 0.957 USER MOD Single : A 13 TYR OH : rot 74:sc= 0.118 USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 16:sc= 0.662 USER MOD Single : A 19 MET CE :methyl 175:sc= -5.98! (180deg=-6.22!) USER MOD Single : A 20 ASN : amide:sc= -0.237 X(o=-0.24,f=-0.24) USER MOD Single : A 22 ASN : amide:sc= 0.106 K(o=0.11,f=-5.6!) USER MOD Single : A 31 ASN : amide:sc= -0.785 K(o=-0.78,f=-2.7!) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot -57:sc= 0.0165 USER MOD Single : A 40 HIS :FLIP no HD1:sc= -0.726 F(o=-2,f=-0.73) USER MOD Single : A 43 SER OG : rot -64:sc= 1.12 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot -33:sc= 0.603 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 10.807 -3.616 -4.353 1.00 0.00 N ATOM 2 CA MET A 1 10.903 -4.687 -3.327 1.00 0.00 C ATOM 3 C MET A 1 11.929 -5.743 -3.732 1.00 0.00 C ATOM 4 O MET A 1 11.718 -6.495 -4.684 1.00 0.00 O ATOM 5 CB MET A 1 9.517 -5.319 -3.155 1.00 0.00 C ATOM 6 CG MET A 1 8.994 -5.254 -1.729 1.00 0.00 C ATOM 7 SD MET A 1 7.961 -3.806 -1.434 1.00 0.00 S ATOM 8 CE MET A 1 9.137 -2.706 -0.652 1.00 0.00 C ATOM 0 H1 MET A 1 10.103 -2.911 -4.054 1.00 0.00 H new ATOM 0 H2 MET A 1 11.733 -3.156 -4.462 1.00 0.00 H new ATOM 0 H3 MET A 1 10.517 -4.031 -5.262 1.00 0.00 H new ATOM 0 HA MET A 1 11.236 -4.258 -2.382 1.00 0.00 H new ATOM 0 HB2 MET A 1 8.812 -4.815 -3.816 1.00 0.00 H new ATOM 0 HB3 MET A 1 9.560 -6.361 -3.471 1.00 0.00 H new ATOM 0 HG2 MET A 1 8.419 -6.155 -1.515 1.00 0.00 H new ATOM 0 HG3 MET A 1 9.836 -5.242 -1.037 1.00 0.00 H new ATOM 0 HE1 MET A 1 8.785 -2.447 0.347 1.00 0.00 H new ATOM 0 HE2 MET A 1 10.105 -3.201 -0.578 1.00 0.00 H new ATOM 0 HE3 MET A 1 9.238 -1.799 -1.248 1.00 0.00 H new ATOM 20 N ARG A 2 13.040 -5.794 -3.003 1.00 0.00 N ATOM 21 CA ARG A 2 14.097 -6.758 -3.289 1.00 0.00 C ATOM 22 C ARG A 2 13.785 -8.112 -2.658 1.00 0.00 C ATOM 23 O ARG A 2 13.821 -9.144 -3.329 1.00 0.00 O ATOM 24 CB ARG A 2 15.442 -6.240 -2.777 1.00 0.00 C ATOM 25 CG ARG A 2 16.239 -5.473 -3.820 1.00 0.00 C ATOM 26 CD ARG A 2 17.734 -5.674 -3.638 1.00 0.00 C ATOM 27 NE ARG A 2 18.504 -4.520 -4.098 1.00 0.00 N ATOM 28 CZ ARG A 2 19.781 -4.298 -3.782 1.00 0.00 C ATOM 29 NH1 ARG A 2 20.442 -5.146 -3.002 1.00 0.00 N ATOM 30 NH2 ARG A 2 20.399 -3.222 -4.249 1.00 0.00 N ATOM 0 H ARG A 2 13.231 -5.180 -2.211 1.00 0.00 H new ATOM 0 HA ARG A 2 14.154 -6.886 -4.370 1.00 0.00 H new ATOM 0 HB2 ARG A 2 15.269 -5.593 -1.917 1.00 0.00 H new ATOM 0 HB3 ARG A 2 16.037 -7.084 -2.426 1.00 0.00 H new ATOM 0 HG2 ARG A 2 15.946 -5.801 -4.817 1.00 0.00 H new ATOM 0 HG3 ARG A 2 16.003 -4.411 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 2 17.949 -5.857 -2.585 1.00 0.00 H new ATOM 0 HD3 ARG A 2 18.049 -6.562 -4.186 1.00 0.00 H new ATOM 0 HE ARG A 2 18.035 -3.842 -4.699 1.00 0.00 H new ATOM 0 HH11 ARG A 2 19.973 -5.976 -2.639 1.00 0.00 H new ATOM 0 HH12 ARG A 2 21.418 -4.967 -2.766 1.00 0.00 H new ATOM 0 HH21 ARG A 2 19.898 -2.566 -4.848 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.375 -3.050 -4.009 1.00 0.00 H new ATOM 44 N LYS A 3 13.477 -8.099 -1.364 1.00 0.00 N ATOM 45 CA LYS A 3 13.158 -9.325 -0.639 1.00 0.00 C ATOM 46 C LYS A 3 12.802 -9.019 0.813 1.00 0.00 C ATOM 47 O LYS A 3 13.684 -8.805 1.645 1.00 0.00 O ATOM 48 CB LYS A 3 14.337 -10.300 -0.691 1.00 0.00 C ATOM 49 CG LYS A 3 14.070 -11.616 0.021 1.00 0.00 C ATOM 50 CD LYS A 3 15.159 -12.637 -0.271 1.00 0.00 C ATOM 51 CE LYS A 3 16.304 -12.530 0.722 1.00 0.00 C ATOM 52 NZ LYS A 3 17.591 -13.000 0.139 1.00 0.00 N ATOM 0 H LYS A 3 13.442 -7.253 -0.796 1.00 0.00 H new ATOM 0 HA LYS A 3 12.295 -9.786 -1.120 1.00 0.00 H new ATOM 0 HB2 LYS A 3 14.583 -10.504 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 3 15.210 -9.825 -0.244 1.00 0.00 H new ATOM 0 HG2 LYS A 3 14.009 -11.444 1.096 1.00 0.00 H new ATOM 0 HG3 LYS A 3 13.104 -12.012 -0.293 1.00 0.00 H new ATOM 0 HD2 LYS A 3 14.737 -13.641 -0.234 1.00 0.00 H new ATOM 0 HD3 LYS A 3 15.538 -12.487 -1.282 1.00 0.00 H new ATOM 0 HE2 LYS A 3 16.409 -11.494 1.045 1.00 0.00 H new ATOM 0 HE3 LYS A 3 16.071 -13.119 1.609 1.00 0.00 H new ATOM 0 HZ1 LYS A 3 18.346 -12.911 0.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 3 17.500 -13.996 -0.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 3 17.827 -12.422 -0.693 1.00 0.00 H new ATOM 66 N LEU A 4 11.508 -8.999 1.111 1.00 0.00 N ATOM 67 CA LEU A 4 11.038 -8.718 2.464 1.00 0.00 C ATOM 68 C LEU A 4 9.860 -9.616 2.829 1.00 0.00 C ATOM 69 O LEU A 4 9.025 -9.937 1.983 1.00 0.00 O ATOM 70 CB LEU A 4 10.625 -7.248 2.598 1.00 0.00 C ATOM 71 CG LEU A 4 11.449 -6.254 1.774 1.00 0.00 C ATOM 72 CD1 LEU A 4 10.787 -4.884 1.774 1.00 0.00 C ATOM 73 CD2 LEU A 4 12.870 -6.160 2.313 1.00 0.00 C ATOM 0 H LEU A 4 10.765 -9.174 0.434 1.00 0.00 H new ATOM 0 HA LEU A 4 11.860 -8.921 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 4 9.579 -7.155 2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 4 10.690 -6.965 3.648 1.00 0.00 H new ATOM 0 HG LEU A 4 11.495 -6.615 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 4 11.386 -4.190 1.184 1.00 0.00 H new ATOM 0 HD12 LEU A 4 9.790 -4.962 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 4 10.710 -4.517 2.797 1.00 0.00 H new ATOM 0 HD21 LEU A 4 13.440 -5.449 1.715 1.00 0.00 H new ATOM 0 HD22 LEU A 4 12.844 -5.824 3.349 1.00 0.00 H new ATOM 0 HD23 LEU A 4 13.344 -7.140 2.261 1.00 0.00 H new ATOM 85 N SER A 5 9.796 -10.011 4.095 1.00 0.00 N ATOM 86 CA SER A 5 8.716 -10.864 4.579 1.00 0.00 C ATOM 87 C SER A 5 7.392 -10.117 4.546 1.00 0.00 C ATOM 88 O SER A 5 7.365 -8.893 4.428 1.00 0.00 O ATOM 89 CB SER A 5 9.012 -11.341 6.002 1.00 0.00 C ATOM 90 OG SER A 5 10.336 -11.836 6.109 1.00 0.00 O ATOM 0 H SER A 5 10.480 -9.754 4.806 1.00 0.00 H new ATOM 0 HA SER A 5 8.644 -11.732 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 5 8.871 -10.517 6.702 1.00 0.00 H new ATOM 0 HB3 SER A 5 8.305 -12.122 6.282 1.00 0.00 H new ATOM 0 HG SER A 5 10.501 -12.133 7.028 1.00 0.00 H new ATOM 96 N ASP A 6 6.290 -10.854 4.665 1.00 0.00 N ATOM 97 CA ASP A 6 4.963 -10.230 4.660 1.00 0.00 C ATOM 98 C ASP A 6 4.858 -9.206 5.787 1.00 0.00 C ATOM 99 O ASP A 6 4.071 -8.266 5.712 1.00 0.00 O ATOM 100 CB ASP A 6 3.825 -11.260 4.796 1.00 0.00 C ATOM 101 CG ASP A 6 4.147 -12.613 4.182 1.00 0.00 C ATOM 102 OD1 ASP A 6 4.915 -13.378 4.801 1.00 0.00 O ATOM 103 OD2 ASP A 6 3.629 -12.904 3.082 1.00 0.00 O ATOM 0 H ASP A 6 6.285 -11.869 4.765 1.00 0.00 H new ATOM 0 HA ASP A 6 4.849 -9.738 3.694 1.00 0.00 H new ATOM 0 HB2 ASP A 6 3.595 -11.396 5.853 1.00 0.00 H new ATOM 0 HB3 ASP A 6 2.928 -10.861 4.323 1.00 0.00 H new ATOM 108 N GLU A 7 5.668 -9.385 6.829 1.00 0.00 N ATOM 109 CA GLU A 7 5.662 -8.465 7.956 1.00 0.00 C ATOM 110 C GLU A 7 6.358 -7.164 7.578 1.00 0.00 C ATOM 111 O GLU A 7 5.930 -6.082 7.973 1.00 0.00 O ATOM 112 CB GLU A 7 6.338 -9.106 9.174 1.00 0.00 C ATOM 113 CG GLU A 7 5.375 -9.411 10.309 1.00 0.00 C ATOM 114 CD GLU A 7 6.053 -9.404 11.666 1.00 0.00 C ATOM 115 OE1 GLU A 7 6.873 -8.495 11.914 1.00 0.00 O ATOM 116 OE2 GLU A 7 5.765 -10.307 12.479 1.00 0.00 O ATOM 0 H GLU A 7 6.332 -10.155 6.913 1.00 0.00 H new ATOM 0 HA GLU A 7 4.628 -8.240 8.218 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.827 -10.030 8.864 1.00 0.00 H new ATOM 0 HB3 GLU A 7 7.119 -8.439 9.539 1.00 0.00 H new ATOM 0 HG2 GLU A 7 4.570 -8.676 10.305 1.00 0.00 H new ATOM 0 HG3 GLU A 7 4.917 -10.386 10.140 1.00 0.00 H new ATOM 123 N LEU A 8 7.425 -7.283 6.801 1.00 0.00 N ATOM 124 CA LEU A 8 8.179 -6.119 6.352 1.00 0.00 C ATOM 125 C LEU A 8 7.508 -5.481 5.142 1.00 0.00 C ATOM 126 O LEU A 8 7.552 -4.264 4.961 1.00 0.00 O ATOM 127 CB LEU A 8 9.611 -6.513 6.011 1.00 0.00 C ATOM 128 CG LEU A 8 10.567 -6.516 7.201 1.00 0.00 C ATOM 129 CD1 LEU A 8 10.788 -5.101 7.710 1.00 0.00 C ATOM 130 CD2 LEU A 8 10.035 -7.410 8.312 1.00 0.00 C ATOM 0 H LEU A 8 7.790 -8.175 6.467 1.00 0.00 H new ATOM 0 HA LEU A 8 8.199 -5.390 7.162 1.00 0.00 H new ATOM 0 HB2 LEU A 8 9.604 -7.507 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 8 9.993 -5.826 5.256 1.00 0.00 H new ATOM 0 HG LEU A 8 11.526 -6.915 6.871 1.00 0.00 H new ATOM 0 HD11 LEU A 8 11.472 -5.122 8.558 1.00 0.00 H new ATOM 0 HD12 LEU A 8 11.215 -4.491 6.914 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.835 -4.674 8.023 1.00 0.00 H new ATOM 0 HD21 LEU A 8 10.730 -7.399 9.152 1.00 0.00 H new ATOM 0 HD22 LEU A 8 9.063 -7.042 8.641 1.00 0.00 H new ATOM 0 HD23 LEU A 8 9.931 -8.429 7.940 1.00 0.00 H new ATOM 142 N LEU A 9 6.881 -6.316 4.318 1.00 0.00 N ATOM 143 CA LEU A 9 6.192 -5.844 3.125 1.00 0.00 C ATOM 144 C LEU A 9 4.874 -5.177 3.492 1.00 0.00 C ATOM 145 O LEU A 9 4.535 -4.115 2.971 1.00 0.00 O ATOM 146 CB LEU A 9 5.947 -7.012 2.162 1.00 0.00 C ATOM 147 CG LEU A 9 5.118 -6.676 0.920 1.00 0.00 C ATOM 148 CD1 LEU A 9 5.974 -5.966 -0.116 1.00 0.00 C ATOM 149 CD2 LEU A 9 4.503 -7.940 0.334 1.00 0.00 C ATOM 0 H LEU A 9 6.837 -7.326 4.457 1.00 0.00 H new ATOM 0 HA LEU A 9 6.823 -5.105 2.631 1.00 0.00 H new ATOM 0 HB2 LEU A 9 6.912 -7.403 1.839 1.00 0.00 H new ATOM 0 HB3 LEU A 9 5.445 -7.811 2.707 1.00 0.00 H new ATOM 0 HG LEU A 9 4.311 -6.005 1.214 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.368 -5.735 -0.992 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.366 -5.042 0.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 6.802 -6.612 -0.408 1.00 0.00 H new ATOM 0 HD21 LEU A 9 3.917 -7.684 -0.548 1.00 0.00 H new ATOM 0 HD22 LEU A 9 5.295 -8.634 0.054 1.00 0.00 H new ATOM 0 HD23 LEU A 9 3.856 -8.408 1.076 1.00 0.00 H new ATOM 161 N ILE A 10 4.134 -5.804 4.396 1.00 0.00 N ATOM 162 CA ILE A 10 2.857 -5.261 4.828 1.00 0.00 C ATOM 163 C ILE A 10 3.064 -4.000 5.658 1.00 0.00 C ATOM 164 O ILE A 10 2.307 -3.037 5.537 1.00 0.00 O ATOM 165 CB ILE A 10 2.037 -6.313 5.604 1.00 0.00 C ATOM 166 CG1 ILE A 10 1.687 -7.461 4.665 1.00 0.00 C ATOM 167 CG2 ILE A 10 0.765 -5.713 6.196 1.00 0.00 C ATOM 168 CD1 ILE A 10 1.325 -8.733 5.382 1.00 0.00 C ATOM 0 H ILE A 10 4.395 -6.684 4.841 1.00 0.00 H new ATOM 0 HA ILE A 10 2.285 -4.991 3.940 1.00 0.00 H new ATOM 0 HB ILE A 10 2.641 -6.678 6.434 1.00 0.00 H new ATOM 0 HG12 ILE A 10 0.853 -7.160 4.031 1.00 0.00 H new ATOM 0 HG13 ILE A 10 2.534 -7.653 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.215 -6.485 6.735 1.00 0.00 H new ATOM 0 HG22 ILE A 10 1.028 -4.908 6.883 1.00 0.00 H new ATOM 0 HG23 ILE A 10 0.142 -5.317 5.394 1.00 0.00 H new ATOM 0 HD11 ILE A 10 1.088 -9.507 4.652 1.00 0.00 H new ATOM 0 HD12 ILE A 10 2.166 -9.057 5.994 1.00 0.00 H new ATOM 0 HD13 ILE A 10 0.459 -8.557 6.020 1.00 0.00 H new ATOM 180 N GLU A 11 4.107 -3.998 6.479 1.00 0.00 N ATOM 181 CA GLU A 11 4.417 -2.835 7.297 1.00 0.00 C ATOM 182 C GLU A 11 4.709 -1.632 6.406 1.00 0.00 C ATOM 183 O GLU A 11 4.484 -0.491 6.800 1.00 0.00 O ATOM 184 CB GLU A 11 5.613 -3.120 8.210 1.00 0.00 C ATOM 185 CG GLU A 11 5.223 -3.567 9.612 1.00 0.00 C ATOM 186 CD GLU A 11 4.218 -4.705 9.611 1.00 0.00 C ATOM 187 OE1 GLU A 11 3.117 -4.524 9.050 1.00 0.00 O ATOM 188 OE2 GLU A 11 4.533 -5.776 10.171 1.00 0.00 O ATOM 0 H GLU A 11 4.748 -4.783 6.595 1.00 0.00 H new ATOM 0 HA GLU A 11 3.553 -2.611 7.923 1.00 0.00 H new ATOM 0 HB2 GLU A 11 6.232 -3.891 7.752 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.225 -2.221 8.282 1.00 0.00 H new ATOM 0 HG2 GLU A 11 6.118 -3.880 10.150 1.00 0.00 H new ATOM 0 HG3 GLU A 11 4.804 -2.720 10.155 1.00 0.00 H new ATOM 195 N SER A 12 5.197 -1.898 5.193 1.00 0.00 N ATOM 196 CA SER A 12 5.497 -0.833 4.246 1.00 0.00 C ATOM 197 C SER A 12 4.202 -0.236 3.717 1.00 0.00 C ATOM 198 O SER A 12 4.032 0.982 3.682 1.00 0.00 O ATOM 199 CB SER A 12 6.344 -1.365 3.089 1.00 0.00 C ATOM 200 OG SER A 12 7.608 -1.813 3.546 1.00 0.00 O ATOM 0 H SER A 12 5.391 -2.838 4.848 1.00 0.00 H new ATOM 0 HA SER A 12 6.066 -0.057 4.759 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.820 -2.185 2.598 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.480 -0.581 2.344 1.00 0.00 H new ATOM 0 HG SER A 12 7.505 -2.677 3.996 1.00 0.00 H new ATOM 206 N TYR A 13 3.280 -1.110 3.323 1.00 0.00 N ATOM 207 CA TYR A 13 1.987 -0.677 2.815 1.00 0.00 C ATOM 208 C TYR A 13 1.212 0.044 3.908 1.00 0.00 C ATOM 209 O TYR A 13 0.528 1.035 3.657 1.00 0.00 O ATOM 210 CB TYR A 13 1.181 -1.878 2.317 1.00 0.00 C ATOM 211 CG TYR A 13 -0.122 -1.498 1.648 1.00 0.00 C ATOM 212 CD1 TYR A 13 -0.130 -0.844 0.424 1.00 0.00 C ATOM 213 CD2 TYR A 13 -1.342 -1.794 2.243 1.00 0.00 C ATOM 214 CE1 TYR A 13 -1.318 -0.494 -0.191 1.00 0.00 C ATOM 215 CE2 TYR A 13 -2.534 -1.447 1.636 1.00 0.00 C ATOM 216 CZ TYR A 13 -2.516 -0.797 0.421 1.00 0.00 C ATOM 217 OH TYR A 13 -3.701 -0.450 -0.187 1.00 0.00 O ATOM 0 H TYR A 13 3.407 -2.122 3.347 1.00 0.00 H new ATOM 0 HA TYR A 13 2.153 0.006 1.982 1.00 0.00 H new ATOM 0 HB2 TYR A 13 1.789 -2.446 1.613 1.00 0.00 H new ATOM 0 HB3 TYR A 13 0.969 -2.537 3.159 1.00 0.00 H new ATOM 0 HD1 TYR A 13 0.807 -0.604 -0.056 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.359 -2.303 3.195 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -1.308 0.013 -1.144 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -3.474 -1.684 2.111 1.00 0.00 H new ATOM 0 HH TYR A 13 -3.868 -1.050 -0.944 1.00 0.00 H new ATOM 227 N PHE A 14 1.334 -0.468 5.128 1.00 0.00 N ATOM 228 CA PHE A 14 0.656 0.114 6.278 1.00 0.00 C ATOM 229 C PHE A 14 1.315 1.428 6.686 1.00 0.00 C ATOM 230 O PHE A 14 0.637 2.417 6.974 1.00 0.00 O ATOM 231 CB PHE A 14 0.667 -0.881 7.445 1.00 0.00 C ATOM 232 CG PHE A 14 -0.209 -2.106 7.253 1.00 0.00 C ATOM 233 CD1 PHE A 14 -0.954 -2.297 6.091 1.00 0.00 C ATOM 234 CD2 PHE A 14 -0.278 -3.073 8.244 1.00 0.00 C ATOM 235 CE1 PHE A 14 -1.740 -3.420 5.929 1.00 0.00 C ATOM 236 CE2 PHE A 14 -1.068 -4.199 8.085 1.00 0.00 C ATOM 237 CZ PHE A 14 -1.799 -4.373 6.926 1.00 0.00 C ATOM 0 H PHE A 14 1.899 -1.289 5.345 1.00 0.00 H new ATOM 0 HA PHE A 14 -0.377 0.328 6.005 1.00 0.00 H new ATOM 0 HB2 PHE A 14 1.693 -1.209 7.613 1.00 0.00 H new ATOM 0 HB3 PHE A 14 0.347 -0.362 8.348 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -0.916 -1.556 5.306 1.00 0.00 H new ATOM 0 HD2 PHE A 14 0.292 -2.946 9.152 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -2.310 -3.553 5.021 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -1.113 -4.942 8.868 1.00 0.00 H new ATOM 0 HZ PHE A 14 -2.415 -5.251 6.800 1.00 0.00 H new ATOM 247 N LYS A 15 2.643 1.436 6.697 1.00 0.00 N ATOM 248 CA LYS A 15 3.397 2.628 7.055 1.00 0.00 C ATOM 249 C LYS A 15 3.172 3.732 6.032 1.00 0.00 C ATOM 250 O LYS A 15 2.902 4.877 6.390 1.00 0.00 O ATOM 251 CB LYS A 15 4.890 2.305 7.151 1.00 0.00 C ATOM 252 CG LYS A 15 5.304 1.723 8.494 1.00 0.00 C ATOM 253 CD LYS A 15 6.813 1.547 8.588 1.00 0.00 C ATOM 254 CE LYS A 15 7.220 0.098 8.377 1.00 0.00 C ATOM 255 NZ LYS A 15 8.700 -0.072 8.405 1.00 0.00 N ATOM 0 H LYS A 15 3.219 0.628 6.461 1.00 0.00 H new ATOM 0 HA LYS A 15 3.045 2.974 8.027 1.00 0.00 H new ATOM 0 HB2 LYS A 15 5.151 1.599 6.363 1.00 0.00 H new ATOM 0 HB3 LYS A 15 5.462 3.214 6.967 1.00 0.00 H new ATOM 0 HG2 LYS A 15 4.963 2.378 9.296 1.00 0.00 H new ATOM 0 HG3 LYS A 15 4.815 0.760 8.640 1.00 0.00 H new ATOM 0 HD2 LYS A 15 7.301 2.175 7.842 1.00 0.00 H new ATOM 0 HD3 LYS A 15 7.159 1.885 9.565 1.00 0.00 H new ATOM 0 HE2 LYS A 15 6.768 -0.523 9.151 1.00 0.00 H new ATOM 0 HE3 LYS A 15 6.832 -0.253 7.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 8.937 -1.074 8.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.130 0.500 7.650 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 9.068 0.239 9.327 1.00 0.00 H new ATOM 269 N ALA A 16 3.289 3.376 4.757 1.00 0.00 N ATOM 270 CA ALA A 16 3.106 4.333 3.674 1.00 0.00 C ATOM 271 C ALA A 16 1.685 4.877 3.635 1.00 0.00 C ATOM 272 O ALA A 16 1.468 6.036 3.285 1.00 0.00 O ATOM 273 CB ALA A 16 3.468 3.697 2.341 1.00 0.00 C ATOM 0 H ALA A 16 3.510 2.429 4.449 1.00 0.00 H new ATOM 0 HA ALA A 16 3.774 5.174 3.860 1.00 0.00 H new ATOM 0 HB1 ALA A 16 3.326 4.424 1.541 1.00 0.00 H new ATOM 0 HB2 ALA A 16 4.510 3.378 2.361 1.00 0.00 H new ATOM 0 HB3 ALA A 16 2.827 2.833 2.164 1.00 0.00 H new ATOM 279 N THR A 17 0.716 4.045 3.995 1.00 0.00 N ATOM 280 CA THR A 17 -0.677 4.470 3.996 1.00 0.00 C ATOM 281 C THR A 17 -0.916 5.510 5.084 1.00 0.00 C ATOM 282 O THR A 17 -1.747 6.405 4.929 1.00 0.00 O ATOM 283 CB THR A 17 -1.607 3.271 4.195 1.00 0.00 C ATOM 284 OG1 THR A 17 -1.146 2.445 5.248 1.00 0.00 O ATOM 285 CG2 THR A 17 -1.743 2.408 2.959 1.00 0.00 C ATOM 0 H THR A 17 0.867 3.080 4.288 1.00 0.00 H new ATOM 0 HA THR A 17 -0.897 4.921 3.028 1.00 0.00 H new ATOM 0 HB THR A 17 -2.582 3.699 4.429 1.00 0.00 H new ATOM 0 HG1 THR A 17 -0.490 2.936 5.786 1.00 0.00 H new ATOM 0 HG21 THR A 17 -2.416 1.576 3.168 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.147 3.005 2.141 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.764 2.021 2.676 1.00 0.00 H new ATOM 293 N GLU A 18 -0.183 5.384 6.185 1.00 0.00 N ATOM 294 CA GLU A 18 -0.315 6.313 7.302 1.00 0.00 C ATOM 295 C GLU A 18 0.382 7.640 7.011 1.00 0.00 C ATOM 296 O GLU A 18 -0.188 8.712 7.222 1.00 0.00 O ATOM 297 CB GLU A 18 0.251 5.687 8.581 1.00 0.00 C ATOM 298 CG GLU A 18 -0.816 5.120 9.502 1.00 0.00 C ATOM 299 CD GLU A 18 -1.504 3.902 8.916 1.00 0.00 C ATOM 300 OE1 GLU A 18 -2.331 4.072 7.996 1.00 0.00 O ATOM 301 OE2 GLU A 18 -1.215 2.778 9.379 1.00 0.00 O ATOM 0 H GLU A 18 0.509 4.648 6.328 1.00 0.00 H new ATOM 0 HA GLU A 18 -1.376 6.517 7.443 1.00 0.00 H new ATOM 0 HB2 GLU A 18 0.946 4.892 8.310 1.00 0.00 H new ATOM 0 HB3 GLU A 18 0.824 6.440 9.122 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -0.362 4.853 10.456 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -1.560 5.890 9.707 1.00 0.00 H new ATOM 308 N MET A 19 1.617 7.561 6.536 1.00 0.00 N ATOM 309 CA MET A 19 2.399 8.751 6.224 1.00 0.00 C ATOM 310 C MET A 19 2.019 9.350 4.868 1.00 0.00 C ATOM 311 O MET A 19 2.394 10.481 4.558 1.00 0.00 O ATOM 312 CB MET A 19 3.888 8.406 6.238 1.00 0.00 C ATOM 313 CG MET A 19 4.324 7.491 5.105 1.00 0.00 C ATOM 314 SD MET A 19 6.116 7.335 4.988 1.00 0.00 S ATOM 315 CE MET A 19 6.309 5.562 5.144 1.00 0.00 C ATOM 0 H MET A 19 2.102 6.681 6.357 1.00 0.00 H new ATOM 0 HA MET A 19 2.181 9.499 6.986 1.00 0.00 H new ATOM 0 HB2 MET A 19 4.464 9.330 6.187 1.00 0.00 H new ATOM 0 HB3 MET A 19 4.131 7.931 7.188 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.886 6.504 5.252 1.00 0.00 H new ATOM 0 HG3 MET A 19 3.934 7.876 4.162 1.00 0.00 H new ATOM 0 HE1 MET A 19 7.357 5.296 5.002 1.00 0.00 H new ATOM 0 HE2 MET A 19 5.986 5.247 6.136 1.00 0.00 H new ATOM 0 HE3 MET A 19 5.702 5.062 4.389 1.00 0.00 H new ATOM 325 N ASN A 20 1.294 8.583 4.054 1.00 0.00 N ATOM 326 CA ASN A 20 0.885 9.029 2.722 1.00 0.00 C ATOM 327 C ASN A 20 2.076 9.005 1.772 1.00 0.00 C ATOM 328 O ASN A 20 2.220 9.871 0.909 1.00 0.00 O ATOM 329 CB ASN A 20 0.269 10.432 2.764 1.00 0.00 C ATOM 330 CG ASN A 20 -0.728 10.594 3.894 1.00 0.00 C ATOM 331 OD1 ASN A 20 -0.536 11.409 4.796 1.00 0.00 O ATOM 332 ND2 ASN A 20 -1.803 9.813 3.850 1.00 0.00 N ATOM 0 H ASN A 20 0.976 7.644 4.296 1.00 0.00 H new ATOM 0 HA ASN A 20 0.122 8.341 2.358 1.00 0.00 H new ATOM 0 HB2 ASN A 20 1.063 11.171 2.875 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -0.226 10.637 1.815 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.509 9.876 4.583 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -1.921 9.151 3.083 1.00 0.00 H new ATOM 339 N LEU A 21 2.927 7.995 1.942 1.00 0.00 N ATOM 340 CA LEU A 21 4.119 7.825 1.112 1.00 0.00 C ATOM 341 C LEU A 21 3.743 7.807 -0.369 1.00 0.00 C ATOM 342 O LEU A 21 2.586 7.573 -0.716 1.00 0.00 O ATOM 343 CB LEU A 21 4.825 6.517 1.494 1.00 0.00 C ATOM 344 CG LEU A 21 6.331 6.467 1.223 1.00 0.00 C ATOM 345 CD1 LEU A 21 7.008 5.482 2.167 1.00 0.00 C ATOM 346 CD2 LEU A 21 6.612 6.099 -0.234 1.00 0.00 C ATOM 0 H LEU A 21 2.811 7.275 2.655 1.00 0.00 H new ATOM 0 HA LEU A 21 4.793 8.664 1.283 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.660 6.334 2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 21 4.350 5.699 0.952 1.00 0.00 H new ATOM 0 HG LEU A 21 6.744 7.459 1.404 1.00 0.00 H new ATOM 0 HD11 LEU A 21 8.078 5.458 1.962 1.00 0.00 H new ATOM 0 HD12 LEU A 21 6.843 5.795 3.198 1.00 0.00 H new ATOM 0 HD13 LEU A 21 6.588 4.487 2.018 1.00 0.00 H new ATOM 0 HD21 LEU A 21 7.689 6.070 -0.401 1.00 0.00 H new ATOM 0 HD22 LEU A 21 6.185 5.120 -0.451 1.00 0.00 H new ATOM 0 HD23 LEU A 21 6.163 6.844 -0.891 1.00 0.00 H new ATOM 358 N ASN A 22 4.725 8.064 -1.240 1.00 0.00 N ATOM 359 CA ASN A 22 4.506 8.087 -2.695 1.00 0.00 C ATOM 360 C ASN A 22 3.598 6.943 -3.159 1.00 0.00 C ATOM 361 O ASN A 22 3.775 5.792 -2.758 1.00 0.00 O ATOM 362 CB ASN A 22 5.846 8.010 -3.426 1.00 0.00 C ATOM 363 CG ASN A 22 5.770 8.573 -4.833 1.00 0.00 C ATOM 364 OD1 ASN A 22 4.835 8.285 -5.580 1.00 0.00 O ATOM 365 ND2 ASN A 22 6.757 9.382 -5.200 1.00 0.00 N ATOM 0 H ASN A 22 5.687 8.261 -0.962 1.00 0.00 H new ATOM 0 HA ASN A 22 4.006 9.025 -2.935 1.00 0.00 H new ATOM 0 HB2 ASN A 22 6.598 8.558 -2.859 1.00 0.00 H new ATOM 0 HB3 ASN A 22 6.174 6.971 -3.470 1.00 0.00 H new ATOM 0 HD21 ASN A 22 6.760 9.792 -6.134 1.00 0.00 H new ATOM 0 HD22 ASN A 22 7.512 9.593 -4.548 1.00 0.00 H new ATOM 372 N ARG A 23 2.619 7.278 -3.995 1.00 0.00 N ATOM 373 CA ARG A 23 1.668 6.294 -4.509 1.00 0.00 C ATOM 374 C ARG A 23 2.374 5.120 -5.175 1.00 0.00 C ATOM 375 O ARG A 23 1.851 4.006 -5.195 1.00 0.00 O ATOM 376 CB ARG A 23 0.710 6.957 -5.500 1.00 0.00 C ATOM 377 CG ARG A 23 -0.611 6.220 -5.655 1.00 0.00 C ATOM 378 CD ARG A 23 -1.564 6.537 -4.514 1.00 0.00 C ATOM 379 NE ARG A 23 -2.207 7.840 -4.682 1.00 0.00 N ATOM 380 CZ ARG A 23 -3.112 8.111 -5.624 1.00 0.00 C ATOM 381 NH1 ARG A 23 -3.491 7.175 -6.488 1.00 0.00 N ATOM 382 NH2 ARG A 23 -3.641 9.325 -5.701 1.00 0.00 N ATOM 0 H ARG A 23 2.462 8.228 -4.333 1.00 0.00 H new ATOM 0 HA ARG A 23 1.104 5.906 -3.661 1.00 0.00 H new ATOM 0 HB2 ARG A 23 0.511 7.978 -5.173 1.00 0.00 H new ATOM 0 HB3 ARG A 23 1.196 7.023 -6.473 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.073 6.495 -6.603 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.428 5.146 -5.689 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.327 5.761 -4.453 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.018 6.521 -3.571 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.947 8.588 -4.039 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -3.089 6.239 -6.435 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -4.184 7.393 -7.204 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.356 10.048 -5.041 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -4.333 9.535 -6.420 1.00 0.00 H new ATOM 396 N ASP A 24 3.555 5.368 -5.724 1.00 0.00 N ATOM 397 CA ASP A 24 4.310 4.317 -6.391 1.00 0.00 C ATOM 398 C ASP A 24 4.768 3.257 -5.395 1.00 0.00 C ATOM 399 O ASP A 24 4.800 2.068 -5.712 1.00 0.00 O ATOM 400 CB ASP A 24 5.515 4.906 -7.127 1.00 0.00 C ATOM 401 CG ASP A 24 5.161 5.389 -8.519 1.00 0.00 C ATOM 402 OD1 ASP A 24 4.274 6.261 -8.638 1.00 0.00 O ATOM 403 OD2 ASP A 24 5.771 4.897 -9.492 1.00 0.00 O ATOM 0 H ASP A 24 4.009 6.282 -5.721 1.00 0.00 H new ATOM 0 HA ASP A 24 3.652 3.841 -7.119 1.00 0.00 H new ATOM 0 HB2 ASP A 24 5.920 5.737 -6.549 1.00 0.00 H new ATOM 0 HB3 ASP A 24 6.300 4.153 -7.195 1.00 0.00 H new ATOM 408 N PHE A 25 5.102 3.691 -4.186 1.00 0.00 N ATOM 409 CA PHE A 25 5.536 2.773 -3.143 1.00 0.00 C ATOM 410 C PHE A 25 4.332 2.017 -2.608 1.00 0.00 C ATOM 411 O PHE A 25 4.375 0.802 -2.418 1.00 0.00 O ATOM 412 CB PHE A 25 6.229 3.536 -2.011 1.00 0.00 C ATOM 413 CG PHE A 25 7.199 2.700 -1.226 1.00 0.00 C ATOM 414 CD1 PHE A 25 8.099 1.866 -1.871 1.00 0.00 C ATOM 415 CD2 PHE A 25 7.213 2.750 0.159 1.00 0.00 C ATOM 416 CE1 PHE A 25 8.993 1.097 -1.150 1.00 0.00 C ATOM 417 CE2 PHE A 25 8.105 1.984 0.886 1.00 0.00 C ATOM 418 CZ PHE A 25 8.996 1.157 0.230 1.00 0.00 C ATOM 0 H PHE A 25 5.080 4.671 -3.905 1.00 0.00 H new ATOM 0 HA PHE A 25 6.251 2.066 -3.563 1.00 0.00 H new ATOM 0 HB2 PHE A 25 6.757 4.392 -2.432 1.00 0.00 H new ATOM 0 HB3 PHE A 25 5.472 3.931 -1.334 1.00 0.00 H new ATOM 0 HD1 PHE A 25 8.102 1.817 -2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 25 6.519 3.395 0.677 1.00 0.00 H new ATOM 0 HE1 PHE A 25 9.688 0.450 -1.665 1.00 0.00 H new ATOM 0 HE2 PHE A 25 8.105 2.032 1.965 1.00 0.00 H new ATOM 0 HZ PHE A 25 9.694 0.558 0.796 1.00 0.00 H new ATOM 428 N ILE A 26 3.246 2.750 -2.391 1.00 0.00 N ATOM 429 CA ILE A 26 2.010 2.163 -1.903 1.00 0.00 C ATOM 430 C ILE A 26 1.482 1.142 -2.909 1.00 0.00 C ATOM 431 O ILE A 26 1.093 0.036 -2.538 1.00 0.00 O ATOM 432 CB ILE A 26 0.945 3.259 -1.645 1.00 0.00 C ATOM 433 CG1 ILE A 26 1.422 4.200 -0.534 1.00 0.00 C ATOM 434 CG2 ILE A 26 -0.408 2.647 -1.279 1.00 0.00 C ATOM 435 CD1 ILE A 26 0.429 5.290 -0.186 1.00 0.00 C ATOM 0 H ILE A 26 3.200 3.757 -2.547 1.00 0.00 H new ATOM 0 HA ILE A 26 2.217 1.658 -0.959 1.00 0.00 H new ATOM 0 HB ILE A 26 0.814 3.828 -2.565 1.00 0.00 H new ATOM 0 HG12 ILE A 26 1.632 3.614 0.361 1.00 0.00 H new ATOM 0 HG13 ILE A 26 2.361 4.661 -0.840 1.00 0.00 H new ATOM 0 HG21 ILE A 26 -1.132 3.443 -1.105 1.00 0.00 H new ATOM 0 HG22 ILE A 26 -0.754 2.014 -2.096 1.00 0.00 H new ATOM 0 HG23 ILE A 26 -0.303 2.047 -0.375 1.00 0.00 H new ATOM 0 HD11 ILE A 26 0.838 5.915 0.608 1.00 0.00 H new ATOM 0 HD12 ILE A 26 0.237 5.902 -1.067 1.00 0.00 H new ATOM 0 HD13 ILE A 26 -0.504 4.838 0.152 1.00 0.00 H new ATOM 447 N GLU A 27 1.481 1.519 -4.183 1.00 0.00 N ATOM 448 CA GLU A 27 1.009 0.629 -5.233 1.00 0.00 C ATOM 449 C GLU A 27 1.996 -0.511 -5.447 1.00 0.00 C ATOM 450 O GLU A 27 1.608 -1.631 -5.775 1.00 0.00 O ATOM 451 CB GLU A 27 0.804 1.401 -6.539 1.00 0.00 C ATOM 452 CG GLU A 27 -0.424 0.960 -7.320 1.00 0.00 C ATOM 453 CD GLU A 27 -1.629 1.840 -7.054 1.00 0.00 C ATOM 454 OE1 GLU A 27 -1.651 2.518 -6.005 1.00 0.00 O ATOM 455 OE2 GLU A 27 -2.552 1.852 -7.896 1.00 0.00 O ATOM 0 H GLU A 27 1.800 2.431 -4.511 1.00 0.00 H new ATOM 0 HA GLU A 27 0.052 0.210 -4.923 1.00 0.00 H new ATOM 0 HB2 GLU A 27 0.719 2.464 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 27 1.687 1.278 -7.166 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -0.197 0.974 -8.386 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -0.666 -0.070 -7.059 1.00 0.00 H new ATOM 462 N LEU A 28 3.273 -0.214 -5.249 1.00 0.00 N ATOM 463 CA LEU A 28 4.324 -1.207 -5.408 1.00 0.00 C ATOM 464 C LEU A 28 4.205 -2.274 -4.323 1.00 0.00 C ATOM 465 O LEU A 28 4.248 -3.473 -4.607 1.00 0.00 O ATOM 466 CB LEU A 28 5.696 -0.509 -5.368 1.00 0.00 C ATOM 467 CG LEU A 28 6.905 -1.387 -5.025 1.00 0.00 C ATOM 468 CD1 LEU A 28 8.170 -0.811 -5.641 1.00 0.00 C ATOM 469 CD2 LEU A 28 7.058 -1.506 -3.516 1.00 0.00 C ATOM 0 H LEU A 28 3.606 0.711 -4.977 1.00 0.00 H new ATOM 0 HA LEU A 28 4.221 -1.705 -6.372 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.873 -0.051 -6.341 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.645 0.300 -4.639 1.00 0.00 H new ATOM 0 HG LEU A 28 6.741 -2.382 -5.439 1.00 0.00 H new ATOM 0 HD11 LEU A 28 9.019 -1.446 -5.388 1.00 0.00 H new ATOM 0 HD12 LEU A 28 8.060 -0.767 -6.724 1.00 0.00 H new ATOM 0 HD13 LEU A 28 8.339 0.193 -5.252 1.00 0.00 H new ATOM 0 HD21 LEU A 28 7.920 -2.132 -3.286 1.00 0.00 H new ATOM 0 HD22 LEU A 28 7.204 -0.515 -3.086 1.00 0.00 H new ATOM 0 HD23 LEU A 28 6.160 -1.956 -3.094 1.00 0.00 H new ATOM 481 N ILE A 29 4.038 -1.833 -3.084 1.00 0.00 N ATOM 482 CA ILE A 29 3.895 -2.755 -1.970 1.00 0.00 C ATOM 483 C ILE A 29 2.564 -3.490 -2.066 1.00 0.00 C ATOM 484 O ILE A 29 2.456 -4.652 -1.678 1.00 0.00 O ATOM 485 CB ILE A 29 3.983 -2.024 -0.614 1.00 0.00 C ATOM 486 CG1 ILE A 29 5.258 -1.183 -0.542 1.00 0.00 C ATOM 487 CG2 ILE A 29 3.946 -3.024 0.531 1.00 0.00 C ATOM 488 CD1 ILE A 29 5.113 0.065 0.300 1.00 0.00 C ATOM 0 H ILE A 29 3.999 -0.847 -2.827 1.00 0.00 H new ATOM 0 HA ILE A 29 4.716 -3.470 -2.026 1.00 0.00 H new ATOM 0 HB ILE A 29 3.123 -1.360 -0.524 1.00 0.00 H new ATOM 0 HG12 ILE A 29 6.064 -1.794 -0.135 1.00 0.00 H new ATOM 0 HG13 ILE A 29 5.553 -0.898 -1.552 1.00 0.00 H new ATOM 0 HG21 ILE A 29 4.009 -2.492 1.481 1.00 0.00 H new ATOM 0 HG22 ILE A 29 3.014 -3.588 0.492 1.00 0.00 H new ATOM 0 HG23 ILE A 29 4.789 -3.710 0.443 1.00 0.00 H new ATOM 0 HD11 ILE A 29 6.056 0.612 0.306 1.00 0.00 H new ATOM 0 HD12 ILE A 29 4.330 0.697 -0.118 1.00 0.00 H new ATOM 0 HD13 ILE A 29 4.849 -0.213 1.320 1.00 0.00 H new ATOM 500 N GLU A 30 1.559 -2.807 -2.605 1.00 0.00 N ATOM 501 CA GLU A 30 0.239 -3.398 -2.772 1.00 0.00 C ATOM 502 C GLU A 30 0.233 -4.354 -3.958 1.00 0.00 C ATOM 503 O GLU A 30 -0.474 -5.360 -3.957 1.00 0.00 O ATOM 504 CB GLU A 30 -0.815 -2.307 -2.972 1.00 0.00 C ATOM 505 CG GLU A 30 -2.222 -2.743 -2.601 1.00 0.00 C ATOM 506 CD GLU A 30 -3.288 -1.976 -3.359 1.00 0.00 C ATOM 507 OE1 GLU A 30 -2.972 -1.426 -4.434 1.00 0.00 O ATOM 508 OE2 GLU A 30 -4.439 -1.926 -2.876 1.00 0.00 O ATOM 0 H GLU A 30 1.635 -1.844 -2.933 1.00 0.00 H new ATOM 0 HA GLU A 30 -0.004 -3.957 -1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.544 -1.438 -2.373 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -0.805 -1.991 -4.015 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -2.333 -3.808 -2.803 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -2.371 -2.604 -1.530 1.00 0.00 H new ATOM 515 N ASN A 31 1.033 -4.027 -4.970 1.00 0.00 N ATOM 516 CA ASN A 31 1.129 -4.851 -6.167 1.00 0.00 C ATOM 517 C ASN A 31 1.803 -6.183 -5.860 1.00 0.00 C ATOM 518 O ASN A 31 1.512 -7.195 -6.498 1.00 0.00 O ATOM 519 CB ASN A 31 1.900 -4.105 -7.258 1.00 0.00 C ATOM 520 CG ASN A 31 1.007 -3.189 -8.072 1.00 0.00 C ATOM 521 OD1 ASN A 31 -0.214 -3.195 -7.916 1.00 0.00 O ATOM 522 ND2 ASN A 31 1.614 -2.395 -8.947 1.00 0.00 N ATOM 0 H ASN A 31 1.624 -3.196 -4.983 1.00 0.00 H new ATOM 0 HA ASN A 31 0.119 -5.057 -6.523 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.697 -3.519 -6.800 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.376 -4.827 -7.921 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.065 -1.757 -9.523 1.00 0.00 H new ATOM 0 HD22 ASN A 31 2.629 -2.423 -9.043 1.00 0.00 H new ATOM 529 N GLU A 32 2.689 -6.182 -4.872 1.00 0.00 N ATOM 530 CA GLU A 32 3.383 -7.400 -4.476 1.00 0.00 C ATOM 531 C GLU A 32 2.477 -8.235 -3.587 1.00 0.00 C ATOM 532 O GLU A 32 2.335 -9.443 -3.776 1.00 0.00 O ATOM 533 CB GLU A 32 4.685 -7.067 -3.745 1.00 0.00 C ATOM 534 CG GLU A 32 5.501 -8.292 -3.368 1.00 0.00 C ATOM 535 CD GLU A 32 5.835 -9.162 -4.565 1.00 0.00 C ATOM 536 OE1 GLU A 32 4.985 -9.991 -4.950 1.00 0.00 O ATOM 537 OE2 GLU A 32 6.945 -9.013 -5.115 1.00 0.00 O ATOM 0 H GLU A 32 2.943 -5.355 -4.332 1.00 0.00 H new ATOM 0 HA GLU A 32 3.634 -7.970 -5.371 1.00 0.00 H new ATOM 0 HB2 GLU A 32 5.291 -6.418 -4.377 1.00 0.00 H new ATOM 0 HB3 GLU A 32 4.451 -6.504 -2.841 1.00 0.00 H new ATOM 0 HG2 GLU A 32 6.425 -7.974 -2.886 1.00 0.00 H new ATOM 0 HG3 GLU A 32 4.947 -8.882 -2.638 1.00 0.00 H new ATOM 544 N ILE A 33 1.849 -7.567 -2.629 1.00 0.00 N ATOM 545 CA ILE A 33 0.929 -8.221 -1.715 1.00 0.00 C ATOM 546 C ILE A 33 -0.264 -8.776 -2.492 1.00 0.00 C ATOM 547 O ILE A 33 -0.830 -9.806 -2.127 1.00 0.00 O ATOM 548 CB ILE A 33 0.447 -7.232 -0.627 1.00 0.00 C ATOM 549 CG1 ILE A 33 1.642 -6.704 0.167 1.00 0.00 C ATOM 550 CG2 ILE A 33 -0.563 -7.878 0.317 1.00 0.00 C ATOM 551 CD1 ILE A 33 1.364 -5.397 0.878 1.00 0.00 C ATOM 0 H ILE A 33 1.963 -6.567 -2.466 1.00 0.00 H new ATOM 0 HA ILE A 33 1.448 -9.043 -1.223 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.051 -6.403 -1.130 1.00 0.00 H new ATOM 0 HG12 ILE A 33 1.939 -7.452 0.902 1.00 0.00 H new ATOM 0 HG13 ILE A 33 2.486 -6.568 -0.509 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -0.877 -7.151 1.066 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -1.431 -8.211 -0.252 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -0.103 -8.734 0.812 1.00 0.00 H new ATOM 0 HD11 ILE A 33 2.255 -5.082 1.421 1.00 0.00 H new ATOM 0 HD12 ILE A 33 1.096 -4.635 0.146 1.00 0.00 H new ATOM 0 HD13 ILE A 33 0.541 -5.532 1.579 1.00 0.00 H new ATOM 563 N LYS A 34 -0.636 -8.089 -3.569 1.00 0.00 N ATOM 564 CA LYS A 34 -1.752 -8.522 -4.397 1.00 0.00 C ATOM 565 C LYS A 34 -1.385 -9.797 -5.151 1.00 0.00 C ATOM 566 O LYS A 34 -2.142 -10.767 -5.155 1.00 0.00 O ATOM 567 CB LYS A 34 -2.145 -7.415 -5.381 1.00 0.00 C ATOM 568 CG LYS A 34 -3.342 -6.596 -4.925 1.00 0.00 C ATOM 569 CD LYS A 34 -3.854 -5.692 -6.034 1.00 0.00 C ATOM 570 CE LYS A 34 -4.466 -4.417 -5.476 1.00 0.00 C ATOM 571 NZ LYS A 34 -4.962 -3.520 -6.555 1.00 0.00 N ATOM 0 H LYS A 34 -0.181 -7.233 -3.886 1.00 0.00 H new ATOM 0 HA LYS A 34 -2.605 -8.732 -3.752 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -1.294 -6.750 -5.526 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -2.369 -7.863 -6.349 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -4.140 -7.265 -4.602 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -3.063 -5.992 -4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -3.034 -5.439 -6.706 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -4.598 -6.226 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -5.289 -4.672 -4.809 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -3.723 -3.889 -4.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -5.372 -2.662 -6.133 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -4.172 -3.256 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -5.690 -4.014 -7.110 1.00 0.00 H new ATOM 585 N ARG A 35 -0.210 -9.790 -5.774 1.00 0.00 N ATOM 586 CA ARG A 35 0.266 -10.952 -6.514 1.00 0.00 C ATOM 587 C ARG A 35 0.644 -12.085 -5.561 1.00 0.00 C ATOM 588 O ARG A 35 0.637 -13.256 -5.941 1.00 0.00 O ATOM 589 CB ARG A 35 1.471 -10.573 -7.381 1.00 0.00 C ATOM 590 CG ARG A 35 1.465 -11.230 -8.752 1.00 0.00 C ATOM 591 CD ARG A 35 2.283 -12.512 -8.760 1.00 0.00 C ATOM 592 NE ARG A 35 2.472 -13.033 -10.112 1.00 0.00 N ATOM 593 CZ ARG A 35 3.040 -14.208 -10.388 1.00 0.00 C ATOM 594 NH1 ARG A 35 3.478 -14.995 -9.410 1.00 0.00 N ATOM 595 NH2 ARG A 35 3.170 -14.599 -11.648 1.00 0.00 N ATOM 0 H ARG A 35 0.428 -8.994 -5.781 1.00 0.00 H new ATOM 0 HA ARG A 35 -0.541 -11.298 -7.159 1.00 0.00 H new ATOM 0 HB2 ARG A 35 1.492 -9.490 -7.506 1.00 0.00 H new ATOM 0 HB3 ARG A 35 2.386 -10.851 -6.858 1.00 0.00 H new ATOM 0 HG2 ARG A 35 0.439 -11.450 -9.046 1.00 0.00 H new ATOM 0 HG3 ARG A 35 1.867 -10.536 -9.491 1.00 0.00 H new ATOM 0 HD2 ARG A 35 3.255 -12.324 -8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 35 1.784 -13.264 -8.148 1.00 0.00 H new ATOM 0 HE ARG A 35 2.149 -12.463 -10.894 1.00 0.00 H new ATOM 0 HH11 ARG A 35 3.381 -14.702 -8.438 1.00 0.00 H new ATOM 0 HH12 ARG A 35 3.911 -15.892 -9.632 1.00 0.00 H new ATOM 0 HH21 ARG A 35 2.836 -14.002 -12.404 1.00 0.00 H new ATOM 0 HH22 ARG A 35 3.604 -15.497 -11.861 1.00 0.00 H new ATOM 609 N ARG A 36 0.971 -11.729 -4.319 1.00 0.00 N ATOM 610 CA ARG A 36 1.350 -12.710 -3.311 1.00 0.00 C ATOM 611 C ARG A 36 0.128 -13.375 -2.665 1.00 0.00 C ATOM 612 O ARG A 36 0.275 -14.173 -1.739 1.00 0.00 O ATOM 613 CB ARG A 36 2.205 -12.039 -2.232 1.00 0.00 C ATOM 614 CG ARG A 36 3.683 -11.973 -2.581 1.00 0.00 C ATOM 615 CD ARG A 36 4.520 -11.563 -1.380 1.00 0.00 C ATOM 616 NE ARG A 36 5.876 -12.106 -1.446 1.00 0.00 N ATOM 617 CZ ARG A 36 6.703 -12.180 -0.403 1.00 0.00 C ATOM 618 NH1 ARG A 36 6.324 -11.746 0.794 1.00 0.00 N ATOM 619 NH2 ARG A 36 7.917 -12.689 -0.559 1.00 0.00 N ATOM 0 H ARG A 36 0.980 -10.764 -3.989 1.00 0.00 H new ATOM 0 HA ARG A 36 1.924 -13.491 -3.810 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.835 -11.028 -2.063 1.00 0.00 H new ATOM 0 HB3 ARG A 36 2.085 -12.583 -1.295 1.00 0.00 H new ATOM 0 HG2 ARG A 36 4.016 -12.945 -2.943 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.835 -11.261 -3.392 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.567 -10.475 -1.325 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.036 -11.907 -0.466 1.00 0.00 H new ATOM 0 HE ARG A 36 6.210 -12.450 -2.346 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.392 -11.351 0.922 1.00 0.00 H new ATOM 0 HH12 ARG A 36 6.965 -11.807 1.585 1.00 0.00 H new ATOM 0 HH21 ARG A 36 8.216 -13.023 -1.475 1.00 0.00 H new ATOM 0 HH22 ARG A 36 8.552 -12.747 0.237 1.00 0.00 H new ATOM 633 N SER A 37 -1.078 -13.049 -3.143 1.00 0.00 N ATOM 634 CA SER A 37 -2.296 -13.630 -2.584 1.00 0.00 C ATOM 635 C SER A 37 -2.445 -13.241 -1.119 1.00 0.00 C ATOM 636 O SER A 37 -2.934 -14.021 -0.301 1.00 0.00 O ATOM 637 CB SER A 37 -2.276 -15.154 -2.723 1.00 0.00 C ATOM 638 OG SER A 37 -3.587 -15.689 -2.665 1.00 0.00 O ATOM 0 H SER A 37 -1.233 -12.392 -3.908 1.00 0.00 H new ATOM 0 HA SER A 37 -3.149 -13.240 -3.140 1.00 0.00 H new ATOM 0 HB2 SER A 37 -1.809 -15.430 -3.668 1.00 0.00 H new ATOM 0 HB3 SER A 37 -1.668 -15.587 -1.929 1.00 0.00 H new ATOM 0 HG SER A 37 -4.012 -15.422 -1.823 1.00 0.00 H new ATOM 644 N LEU A 38 -2.011 -12.028 -0.800 1.00 0.00 N ATOM 645 CA LEU A 38 -2.080 -11.515 0.562 1.00 0.00 C ATOM 646 C LEU A 38 -2.873 -10.206 0.601 1.00 0.00 C ATOM 647 O LEU A 38 -2.656 -9.363 1.471 1.00 0.00 O ATOM 648 CB LEU A 38 -0.663 -11.300 1.089 1.00 0.00 C ATOM 649 CG LEU A 38 -0.514 -11.404 2.602 1.00 0.00 C ATOM 650 CD1 LEU A 38 -0.624 -12.853 3.049 1.00 0.00 C ATOM 651 CD2 LEU A 38 0.814 -10.810 3.040 1.00 0.00 C ATOM 0 H LEU A 38 -1.605 -11.377 -1.472 1.00 0.00 H new ATOM 0 HA LEU A 38 -2.594 -12.238 1.196 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -0.004 -12.032 0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -0.320 -10.315 0.772 1.00 0.00 H new ATOM 0 HG LEU A 38 -1.319 -10.839 3.072 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -0.515 -12.909 4.132 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -1.598 -13.250 2.761 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.162 -13.441 2.575 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.909 -10.890 4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.630 -11.353 2.563 1.00 0.00 H new ATOM 0 HD23 LEU A 38 0.857 -9.761 2.749 1.00 0.00 H new ATOM 663 N GLY A 39 -3.797 -10.048 -0.352 1.00 0.00 N ATOM 664 CA GLY A 39 -4.613 -8.845 -0.413 1.00 0.00 C ATOM 665 C GLY A 39 -5.638 -8.765 0.706 1.00 0.00 C ATOM 666 O GLY A 39 -6.298 -7.741 0.870 1.00 0.00 O ATOM 0 H GLY A 39 -3.993 -10.733 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.964 -7.970 -0.367 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.128 -8.810 -1.373 1.00 0.00 H new ATOM 670 N HIS A 40 -5.770 -9.831 1.490 1.00 0.00 N ATOM 671 CA HIS A 40 -6.711 -9.833 2.600 1.00 0.00 C ATOM 672 C HIS A 40 -6.060 -9.196 3.823 1.00 0.00 C ATOM 673 O HIS A 40 -6.725 -8.549 4.632 1.00 0.00 O ATOM 674 CB HIS A 40 -7.162 -11.258 2.923 1.00 0.00 C ATOM 675 CG HIS A 40 -6.027 -12.215 3.123 1.00 0.00 C ATOM 676 ND1 HIS A 40 -5.044 -12.239 4.053 1.00 0.00 N flip ATOM 677 CD2 HIS A 40 -5.808 -13.305 2.307 1.00 0.00 C flip ATOM 678 CE1 HIS A 40 -4.258 -13.333 3.785 1.00 0.00 C flip ATOM 679 NE2 HIS A 40 -4.740 -13.960 2.728 1.00 0.00 N flip ATOM 0 H HIS A 40 -5.242 -10.696 1.377 1.00 0.00 H new ATOM 0 HA HIS A 40 -7.590 -9.254 2.317 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -7.775 -11.241 3.824 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -7.795 -11.622 2.114 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -6.414 -13.580 1.457 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.386 -13.632 4.348 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -4.354 -14.806 2.308 1.00 0.00 H new ATOM 688 N ILE A 41 -4.744 -9.373 3.936 1.00 0.00 N ATOM 689 CA ILE A 41 -3.983 -8.807 5.040 1.00 0.00 C ATOM 690 C ILE A 41 -4.097 -7.279 5.027 1.00 0.00 C ATOM 691 O ILE A 41 -4.094 -6.628 6.072 1.00 0.00 O ATOM 692 CB ILE A 41 -2.491 -9.255 4.954 1.00 0.00 C ATOM 693 CG1 ILE A 41 -1.850 -9.258 6.342 1.00 0.00 C ATOM 694 CG2 ILE A 41 -1.679 -8.392 3.985 1.00 0.00 C ATOM 695 CD1 ILE A 41 -2.560 -10.166 7.318 1.00 0.00 C ATOM 0 H ILE A 41 -4.184 -9.907 3.271 1.00 0.00 H new ATOM 0 HA ILE A 41 -4.394 -9.174 5.980 1.00 0.00 H new ATOM 0 HB ILE A 41 -2.483 -10.271 4.559 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -0.809 -9.570 6.255 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -1.846 -8.242 6.736 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -0.648 -8.744 3.961 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -2.110 -8.463 2.986 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -1.700 -7.354 4.317 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -2.058 -10.125 8.285 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -3.594 -9.840 7.432 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -2.541 -11.189 6.943 1.00 0.00 H new ATOM 707 N ILE A 42 -4.199 -6.728 3.819 1.00 0.00 N ATOM 708 CA ILE A 42 -4.316 -5.289 3.625 1.00 0.00 C ATOM 709 C ILE A 42 -5.750 -4.823 3.826 1.00 0.00 C ATOM 710 O ILE A 42 -6.692 -5.598 3.657 1.00 0.00 O ATOM 711 CB ILE A 42 -3.848 -4.854 2.214 1.00 0.00 C ATOM 712 CG1 ILE A 42 -4.463 -5.731 1.123 1.00 0.00 C ATOM 713 CG2 ILE A 42 -2.338 -4.885 2.121 1.00 0.00 C ATOM 714 CD1 ILE A 42 -4.101 -5.289 -0.278 1.00 0.00 C ATOM 0 H ILE A 42 -4.203 -7.266 2.952 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.669 -4.826 4.370 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.191 -3.832 2.055 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -4.136 -6.761 1.267 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -5.548 -5.724 1.230 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.029 -4.576 1.122 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -1.914 -4.204 2.859 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.982 -5.897 2.314 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -4.571 -5.955 -1.002 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -4.453 -4.270 -0.440 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.019 -5.323 -0.402 1.00 0.00 H new ATOM 726 N SER A 43 -5.913 -3.552 4.177 1.00 0.00 N ATOM 727 CA SER A 43 -7.239 -2.988 4.383 1.00 0.00 C ATOM 728 C SER A 43 -7.903 -2.702 3.039 1.00 0.00 C ATOM 729 O SER A 43 -8.176 -1.551 2.695 1.00 0.00 O ATOM 730 CB SER A 43 -7.151 -1.708 5.219 1.00 0.00 C ATOM 731 OG SER A 43 -8.354 -0.964 5.140 1.00 0.00 O ATOM 0 H SER A 43 -5.146 -2.896 4.324 1.00 0.00 H new ATOM 0 HA SER A 43 -7.847 -3.712 4.926 1.00 0.00 H new ATOM 0 HB2 SER A 43 -6.945 -1.962 6.259 1.00 0.00 H new ATOM 0 HB3 SER A 43 -6.319 -1.098 4.869 1.00 0.00 H new ATOM 0 HG SER A 43 -8.490 -0.659 4.219 1.00 0.00 H new ATOM 737 N VAL A 44 -8.141 -3.763 2.277 1.00 0.00 N ATOM 738 CA VAL A 44 -8.751 -3.644 0.961 1.00 0.00 C ATOM 739 C VAL A 44 -10.028 -4.471 0.868 1.00 0.00 C ATOM 740 O VAL A 44 -10.131 -5.539 1.468 1.00 0.00 O ATOM 741 CB VAL A 44 -7.769 -4.105 -0.132 1.00 0.00 C ATOM 742 CG1 VAL A 44 -8.335 -3.865 -1.519 1.00 0.00 C ATOM 743 CG2 VAL A 44 -6.438 -3.396 0.029 1.00 0.00 C ATOM 0 H VAL A 44 -7.919 -4.720 2.551 1.00 0.00 H new ATOM 0 HA VAL A 44 -9.000 -2.594 0.809 1.00 0.00 H new ATOM 0 HB VAL A 44 -7.615 -5.178 -0.018 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -7.618 -4.201 -2.268 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -9.266 -4.420 -1.633 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -8.529 -2.801 -1.654 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -5.752 -3.730 -0.749 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -6.587 -2.319 -0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -6.018 -3.629 1.008 1.00 0.00 H new ATOM 753 N SER A 45 -10.994 -3.974 0.104 1.00 0.00 N ATOM 754 CA SER A 45 -12.255 -4.679 -0.071 1.00 0.00 C ATOM 755 C SER A 45 -12.286 -5.390 -1.418 1.00 0.00 C ATOM 756 O SER A 45 -12.728 -4.828 -2.421 1.00 0.00 O ATOM 757 CB SER A 45 -13.430 -3.705 0.035 1.00 0.00 C ATOM 758 OG SER A 45 -14.528 -4.300 0.704 1.00 0.00 O ATOM 0 H SER A 45 -10.928 -3.090 -0.401 1.00 0.00 H new ATOM 0 HA SER A 45 -12.344 -5.424 0.720 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.116 -2.809 0.571 1.00 0.00 H new ATOM 0 HB3 SER A 45 -13.736 -3.389 -0.963 1.00 0.00 H new ATOM 0 HG SER A 45 -15.265 -3.656 0.760 1.00 0.00 H new ATOM 764 N SER A 46 -11.813 -6.631 -1.433 1.00 0.00 N ATOM 765 CA SER A 46 -11.784 -7.424 -2.656 1.00 0.00 C ATOM 766 C SER A 46 -12.301 -8.836 -2.402 1.00 0.00 C ATOM 767 O SER A 46 -12.573 -9.163 -1.226 1.00 0.00 O ATOM 768 CB SER A 46 -10.362 -7.483 -3.217 1.00 0.00 C ATOM 769 OG SER A 46 -10.319 -8.220 -4.426 1.00 0.00 O ATOM 770 OXT SER A 46 -12.431 -9.603 -3.379 1.00 0.00 O ATOM 0 H SER A 46 -11.444 -7.110 -0.611 1.00 0.00 H new ATOM 0 HA SER A 46 -12.436 -6.944 -3.386 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.995 -6.472 -3.391 1.00 0.00 H new ATOM 0 HB3 SER A 46 -9.698 -7.942 -2.484 1.00 0.00 H new ATOM 0 HG SER A 46 -10.991 -8.933 -4.398 1.00 0.00 H new TER 776 SER A 46