USER MOD reduce.3.24.130724 H: found=0, std=0, add=906, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 904 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 68 ASN : amide:sc= 1.23 K(o=2.7,f=-2.8!) USER MOD Set 1.2: A 71 THR OG1 : rot -57:sc= 1.43 USER MOD Set 2.1: A 26 LYS NZ :NH3+ -177:sc= 1.93 (180deg=1.1) USER MOD Set 2.2: A 59 THR OG1 : rot -99:sc= 0.733 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -178:sc= 0.373 (180deg=0) USER MOD Set 3.2: A 52 THR OG1 : rot 82:sc= 0.357 USER MOD Set 4.1: A 4 SER OG : rot -46:sc= 1.15 USER MOD Set 4.2: A 7 SER OG : rot -76:sc= 1.07 USER MOD Set 4.3: A 9 THR OG1 : rot -83:sc= 2.01 USER MOD Set 4.4: A 62 LYS NZ :NH3+ -178:sc= 2.03 (180deg=1.93) USER MOD Single : A 1 MET CE :methyl 178:sc= 0 (180deg=-0.00607) USER MOD Single : A 1 MET N :NH3+ 156:sc= 1.87 (180deg=1.03) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.091 USER MOD Single : A 11 LYS NZ :NH3+ 164:sc= 1.83 (180deg=1.29) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot -155:sc= 1.17 USER MOD Single : A 24 SER OG : rot 150:sc= 0.173 USER MOD Single : A 25 ASN : amide:sc= 0.0174 K(o=0.017,f=-1.7) USER MOD Single : A 35 THR OG1 : rot 10:sc= 0.0365 USER MOD Single : A 41 LYS NZ :NH3+ -167:sc= 1.48 (180deg=1.32) USER MOD Single : A 42 MET CE :methyl 180:sc= -0.0632 (180deg=-0.0632) USER MOD Single : A 56 THR OG1 : rot 180:sc= 0.0163 USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 74 ASN : amide:sc= 0.923 K(o=0.92,f=-0.35) USER MOD Single : A 76 GLN : amide:sc= -0.143 X(o=-0.14,f=-0.16) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 82 THR OG1 : rot 101:sc= 1.26 USER MOD Single : A 87 LYS NZ :NH3+ 170:sc= 0.977 (180deg=0.893) USER MOD Single : A 90 GLN : amide:sc= 0.899 K(o=0.9,f=-0.005) USER MOD Single : A 93 LYS NZ :NH3+ -170:sc= 1.21 (180deg=1.07) USER MOD Single : A 99 LYS NZ :NH3+ 171:sc= 1.66 (180deg=1.49) USER MOD Single : A 101 LYS NZ :NH3+ -170:sc= 2.45 (180deg=2.38) USER MOD Single : A 109 SER OG : rot 73:sc= 1.09 USER MOD Single : A 114 ASN : amide:sc= 0.537 K(o=0.54,f=-0.17) USER MOD Single : A 116 ASN : amide:sc= -0.406 X(o=-0.41,f=-0.019) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -14.734 -11.624 -9.469 1.00 0.00 N ATOM 2 CA MET A 1 -13.858 -11.292 -8.318 1.00 0.00 C ATOM 3 C MET A 1 -12.391 -11.295 -8.745 1.00 0.00 C ATOM 4 O MET A 1 -11.978 -12.138 -9.541 1.00 0.00 O ATOM 5 CB MET A 1 -14.061 -12.223 -7.106 1.00 0.00 C ATOM 6 CG MET A 1 -15.396 -11.992 -6.380 1.00 0.00 C ATOM 7 SD MET A 1 -16.906 -12.524 -7.243 1.00 0.00 S ATOM 8 CE MET A 1 -16.770 -14.328 -7.078 1.00 0.00 C ATOM 0 H1 MET A 1 -15.634 -12.012 -9.120 1.00 0.00 H new ATOM 0 H2 MET A 1 -14.920 -10.764 -10.023 1.00 0.00 H new ATOM 0 H3 MET A 1 -14.263 -12.329 -10.071 1.00 0.00 H new ATOM 0 HA MET A 1 -14.145 -10.292 -7.994 1.00 0.00 H new ATOM 0 HB2 MET A 1 -14.011 -13.259 -7.440 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.242 -12.076 -6.402 1.00 0.00 H new ATOM 0 HG2 MET A 1 -15.354 -12.508 -5.421 1.00 0.00 H new ATOM 0 HG3 MET A 1 -15.485 -10.927 -6.165 1.00 0.00 H new ATOM 0 HE1 MET A 1 -17.643 -14.801 -7.527 1.00 0.00 H new ATOM 0 HE2 MET A 1 -15.869 -14.673 -7.585 1.00 0.00 H new ATOM 0 HE3 MET A 1 -16.716 -14.594 -6.022 1.00 0.00 H new ATOM 18 N THR A 2 -11.598 -10.370 -8.202 1.00 0.00 N ATOM 19 CA THR A 2 -10.137 -10.229 -8.402 1.00 0.00 C ATOM 20 C THR A 2 -9.482 -9.724 -7.109 1.00 0.00 C ATOM 21 O THR A 2 -10.177 -9.421 -6.136 1.00 0.00 O ATOM 22 CB THR A 2 -9.776 -9.261 -9.554 1.00 0.00 C ATOM 23 OG1 THR A 2 -10.017 -7.920 -9.183 1.00 0.00 O ATOM 24 CG2 THR A 2 -10.514 -9.521 -10.866 1.00 0.00 C ATOM 0 H THR A 2 -11.968 -9.656 -7.575 1.00 0.00 H new ATOM 0 HA THR A 2 -9.762 -11.217 -8.670 1.00 0.00 H new ATOM 0 HB THR A 2 -8.716 -9.445 -9.731 1.00 0.00 H new ATOM 0 HG1 THR A 2 -9.780 -7.327 -9.926 1.00 0.00 H new ATOM 0 HG21 THR A 2 -10.196 -8.794 -11.613 1.00 0.00 H new ATOM 0 HG22 THR A 2 -10.286 -10.527 -11.219 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.588 -9.428 -10.704 1.00 0.00 H new ATOM 32 N ASP A 3 -8.155 -9.559 -7.083 1.00 0.00 N ATOM 33 CA ASP A 3 -7.452 -8.965 -5.935 1.00 0.00 C ATOM 34 C ASP A 3 -7.852 -7.503 -5.627 1.00 0.00 C ATOM 35 O ASP A 3 -7.495 -7.008 -4.560 1.00 0.00 O ATOM 36 CB ASP A 3 -5.929 -9.130 -6.085 1.00 0.00 C ATOM 37 CG ASP A 3 -5.296 -8.212 -7.140 1.00 0.00 C ATOM 38 OD1 ASP A 3 -5.552 -8.409 -8.349 1.00 0.00 O ATOM 39 OD2 ASP A 3 -4.499 -7.319 -6.760 1.00 0.00 O ATOM 0 H ASP A 3 -7.540 -9.830 -7.850 1.00 0.00 H new ATOM 0 HA ASP A 3 -7.779 -9.526 -5.059 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -5.458 -8.936 -5.122 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -5.711 -10.166 -6.344 1.00 0.00 H new ATOM 44 N SER A 4 -8.617 -6.837 -6.504 1.00 0.00 N ATOM 45 CA SER A 4 -9.237 -5.513 -6.286 1.00 0.00 C ATOM 46 C SER A 4 -10.725 -5.464 -6.703 1.00 0.00 C ATOM 47 O SER A 4 -11.265 -4.405 -7.034 1.00 0.00 O ATOM 48 CB SER A 4 -8.413 -4.410 -6.967 1.00 0.00 C ATOM 49 OG SER A 4 -7.178 -4.240 -6.297 1.00 0.00 O ATOM 0 H SER A 4 -8.832 -7.219 -7.425 1.00 0.00 H new ATOM 0 HA SER A 4 -9.229 -5.331 -5.211 1.00 0.00 H new ATOM 0 HB2 SER A 4 -8.236 -4.670 -8.011 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.970 -3.473 -6.961 1.00 0.00 H new ATOM 0 HG SER A 4 -7.331 -4.216 -5.329 1.00 0.00 H new ATOM 55 N GLU A 5 -11.406 -6.613 -6.692 1.00 0.00 N ATOM 56 CA GLU A 5 -12.857 -6.750 -6.883 1.00 0.00 C ATOM 57 C GLU A 5 -13.367 -7.815 -5.895 1.00 0.00 C ATOM 58 O GLU A 5 -13.432 -9.002 -6.224 1.00 0.00 O ATOM 59 CB GLU A 5 -13.158 -7.082 -8.357 1.00 0.00 C ATOM 60 CG GLU A 5 -14.645 -7.154 -8.685 1.00 0.00 C ATOM 61 CD GLU A 5 -14.873 -7.707 -10.104 1.00 0.00 C ATOM 62 OE1 GLU A 5 -14.792 -8.948 -10.283 1.00 0.00 O ATOM 63 OE2 GLU A 5 -15.147 -6.915 -11.039 1.00 0.00 O ATOM 0 H GLU A 5 -10.945 -7.511 -6.544 1.00 0.00 H new ATOM 0 HA GLU A 5 -13.383 -5.819 -6.671 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -12.693 -6.327 -8.991 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -12.695 -8.037 -8.606 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -15.151 -7.790 -7.958 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -15.087 -6.161 -8.603 1.00 0.00 H new ATOM 70 N LYS A 6 -13.636 -7.374 -4.655 1.00 0.00 N ATOM 71 CA LYS A 6 -13.597 -8.177 -3.414 1.00 0.00 C ATOM 72 C LYS A 6 -12.254 -8.906 -3.277 1.00 0.00 C ATOM 73 O LYS A 6 -12.111 -10.057 -3.685 1.00 0.00 O ATOM 74 CB LYS A 6 -14.857 -9.057 -3.280 1.00 0.00 C ATOM 75 CG LYS A 6 -14.931 -9.905 -1.993 1.00 0.00 C ATOM 76 CD LYS A 6 -14.686 -9.171 -0.661 1.00 0.00 C ATOM 77 CE LYS A 6 -15.629 -7.980 -0.447 1.00 0.00 C ATOM 78 NZ LYS A 6 -15.450 -7.373 0.899 1.00 0.00 N ATOM 0 H LYS A 6 -13.899 -6.404 -4.479 1.00 0.00 H new ATOM 0 HA LYS A 6 -13.639 -7.519 -2.546 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -15.736 -8.414 -3.324 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -14.907 -9.725 -4.140 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -15.916 -10.369 -1.949 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -14.202 -10.711 -2.075 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -14.807 -9.875 0.162 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -13.655 -8.820 -0.631 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -15.445 -7.227 -1.213 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -16.662 -8.308 -0.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -16.127 -6.593 1.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -15.617 -8.094 1.630 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -14.481 -7.007 0.989 1.00 0.00 H new ATOM 92 N SER A 7 -11.233 -8.270 -2.696 1.00 0.00 N ATOM 93 CA SER A 7 -11.222 -7.072 -1.825 1.00 0.00 C ATOM 94 C SER A 7 -11.648 -5.730 -2.441 1.00 0.00 C ATOM 95 O SER A 7 -11.646 -5.537 -3.656 1.00 0.00 O ATOM 96 CB SER A 7 -9.826 -6.895 -1.227 1.00 0.00 C ATOM 97 OG SER A 7 -8.946 -6.277 -2.150 1.00 0.00 O ATOM 0 H SER A 7 -10.283 -8.614 -2.835 1.00 0.00 H new ATOM 0 HA SER A 7 -11.995 -7.294 -1.089 1.00 0.00 H new ATOM 0 HB2 SER A 7 -9.890 -6.291 -0.322 1.00 0.00 H new ATOM 0 HB3 SER A 7 -9.427 -7.866 -0.935 1.00 0.00 H new ATOM 0 HG SER A 7 -8.675 -6.929 -2.830 1.00 0.00 H new ATOM 103 N ALA A 8 -11.983 -4.772 -1.569 1.00 0.00 N ATOM 104 CA ALA A 8 -12.274 -3.382 -1.929 1.00 0.00 C ATOM 105 C ALA A 8 -11.006 -2.496 -2.056 1.00 0.00 C ATOM 106 O ALA A 8 -11.069 -1.281 -1.848 1.00 0.00 O ATOM 107 CB ALA A 8 -13.312 -2.848 -0.932 1.00 0.00 C ATOM 0 H ALA A 8 -12.061 -4.948 -0.567 1.00 0.00 H new ATOM 0 HA ALA A 8 -12.694 -3.345 -2.934 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -13.550 -1.812 -1.174 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -14.218 -3.452 -0.991 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -12.906 -2.900 0.078 1.00 0.00 H new ATOM 113 N THR A 9 -9.849 -3.082 -2.399 1.00 0.00 N ATOM 114 CA THR A 9 -8.616 -2.331 -2.720 1.00 0.00 C ATOM 115 C THR A 9 -8.673 -1.719 -4.126 1.00 0.00 C ATOM 116 O THR A 9 -9.588 -1.993 -4.909 1.00 0.00 O ATOM 117 CB THR A 9 -7.353 -3.209 -2.639 1.00 0.00 C ATOM 118 OG1 THR A 9 -7.447 -4.291 -3.526 1.00 0.00 O ATOM 119 CG2 THR A 9 -7.046 -3.771 -1.259 1.00 0.00 C ATOM 0 H THR A 9 -9.737 -4.094 -2.463 1.00 0.00 H new ATOM 0 HA THR A 9 -8.557 -1.543 -1.969 1.00 0.00 H new ATOM 0 HB THR A 9 -6.540 -2.532 -2.902 1.00 0.00 H new ATOM 0 HG1 THR A 9 -7.956 -5.015 -3.106 1.00 0.00 H new ATOM 0 HG21 THR A 9 -6.139 -4.374 -1.305 1.00 0.00 H new ATOM 0 HG22 THR A 9 -6.900 -2.951 -0.556 1.00 0.00 H new ATOM 0 HG23 THR A 9 -7.878 -4.391 -0.925 1.00 0.00 H new ATOM 127 N ILE A 10 -7.661 -0.917 -4.468 1.00 0.00 N ATOM 128 CA ILE A 10 -7.305 -0.570 -5.854 1.00 0.00 C ATOM 129 C ILE A 10 -5.944 -1.176 -6.249 1.00 0.00 C ATOM 130 O ILE A 10 -5.150 -1.579 -5.395 1.00 0.00 O ATOM 131 CB ILE A 10 -7.391 0.957 -6.097 1.00 0.00 C ATOM 132 CG1 ILE A 10 -6.341 1.739 -5.281 1.00 0.00 C ATOM 133 CG2 ILE A 10 -8.822 1.456 -5.824 1.00 0.00 C ATOM 134 CD1 ILE A 10 -6.339 3.249 -5.552 1.00 0.00 C ATOM 0 H ILE A 10 -7.051 -0.480 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 10 -8.042 -1.020 -6.519 1.00 0.00 H new ATOM 0 HB ILE A 10 -7.157 1.145 -7.145 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -6.522 1.571 -4.219 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -5.352 1.339 -5.503 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -8.872 2.531 -5.998 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -9.518 0.948 -6.491 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -9.090 1.243 -4.789 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -5.574 3.727 -4.941 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -6.127 3.429 -6.606 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -7.315 3.665 -5.302 1.00 0.00 H new ATOM 146 N LYS A 11 -5.660 -1.231 -7.552 1.00 0.00 N ATOM 147 CA LYS A 11 -4.406 -1.733 -8.137 1.00 0.00 C ATOM 148 C LYS A 11 -3.816 -0.675 -9.073 1.00 0.00 C ATOM 149 O LYS A 11 -4.546 -0.121 -9.898 1.00 0.00 O ATOM 150 CB LYS A 11 -4.704 -3.067 -8.840 1.00 0.00 C ATOM 151 CG LYS A 11 -3.461 -3.940 -9.051 1.00 0.00 C ATOM 152 CD LYS A 11 -3.889 -5.269 -9.698 1.00 0.00 C ATOM 153 CE LYS A 11 -2.760 -6.299 -9.798 1.00 0.00 C ATOM 154 NZ LYS A 11 -2.330 -6.782 -8.465 1.00 0.00 N ATOM 0 H LYS A 11 -6.322 -0.915 -8.261 1.00 0.00 H new ATOM 0 HA LYS A 11 -3.653 -1.920 -7.371 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -5.433 -3.624 -8.251 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -5.164 -2.864 -9.807 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -2.742 -3.425 -9.688 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -2.966 -4.127 -8.098 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -4.708 -5.697 -9.120 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -4.275 -5.068 -10.697 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.093 -7.145 -10.400 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -1.909 -5.855 -10.315 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -1.773 -7.653 -8.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.747 -6.055 -8.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -3.167 -6.978 -7.880 1.00 0.00 H new ATOM 168 N VAL A 12 -2.527 -0.364 -8.927 1.00 0.00 N ATOM 169 CA VAL A 12 -1.878 0.799 -9.567 1.00 0.00 C ATOM 170 C VAL A 12 -0.629 0.429 -10.378 1.00 0.00 C ATOM 171 O VAL A 12 0.004 -0.600 -10.145 1.00 0.00 O ATOM 172 CB VAL A 12 -1.582 1.918 -8.538 1.00 0.00 C ATOM 173 CG1 VAL A 12 -2.884 2.557 -8.043 1.00 0.00 C ATOM 174 CG2 VAL A 12 -0.797 1.451 -7.307 1.00 0.00 C ATOM 0 H VAL A 12 -1.889 -0.916 -8.354 1.00 0.00 H new ATOM 0 HA VAL A 12 -2.596 1.187 -10.289 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.962 2.633 -9.079 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -2.653 3.340 -7.321 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -3.422 2.988 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -3.505 1.797 -7.568 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -0.633 2.296 -6.638 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -1.364 0.680 -6.785 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.164 1.045 -7.621 1.00 0.00 H new ATOM 184 N THR A 13 -0.292 1.284 -11.347 1.00 0.00 N ATOM 185 CA THR A 13 0.878 1.207 -12.246 1.00 0.00 C ATOM 186 C THR A 13 1.497 2.598 -12.439 1.00 0.00 C ATOM 187 O THR A 13 0.853 3.607 -12.147 1.00 0.00 O ATOM 188 CB THR A 13 0.504 0.624 -13.622 1.00 0.00 C ATOM 189 OG1 THR A 13 -0.558 1.357 -14.198 1.00 0.00 O ATOM 190 CG2 THR A 13 0.077 -0.842 -13.539 1.00 0.00 C ATOM 0 H THR A 13 -0.863 2.106 -11.543 1.00 0.00 H new ATOM 0 HA THR A 13 1.602 0.542 -11.775 1.00 0.00 H new ATOM 0 HB THR A 13 1.401 0.694 -14.237 1.00 0.00 H new ATOM 0 HG1 THR A 13 -0.783 0.975 -15.072 1.00 0.00 H new ATOM 0 HG21 THR A 13 -0.176 -1.204 -14.535 1.00 0.00 H new ATOM 0 HG22 THR A 13 0.895 -1.437 -13.133 1.00 0.00 H new ATOM 0 HG23 THR A 13 -0.793 -0.931 -12.889 1.00 0.00 H new ATOM 198 N ASP A 14 2.736 2.689 -12.934 1.00 0.00 N ATOM 199 CA ASP A 14 3.527 3.933 -12.887 1.00 0.00 C ATOM 200 C ASP A 14 2.900 5.124 -13.641 1.00 0.00 C ATOM 201 O ASP A 14 3.023 6.271 -13.207 1.00 0.00 O ATOM 202 CB ASP A 14 4.945 3.663 -13.418 1.00 0.00 C ATOM 203 CG ASP A 14 5.928 4.743 -12.935 1.00 0.00 C ATOM 204 OD1 ASP A 14 6.181 4.805 -11.706 1.00 0.00 O ATOM 205 OD2 ASP A 14 6.450 5.512 -13.774 1.00 0.00 O ATOM 0 H ASP A 14 3.221 1.909 -13.377 1.00 0.00 H new ATOM 0 HA ASP A 14 3.552 4.232 -11.839 1.00 0.00 H new ATOM 0 HB2 ASP A 14 5.283 2.682 -13.082 1.00 0.00 H new ATOM 0 HB3 ASP A 14 4.931 3.640 -14.508 1.00 0.00 H new ATOM 210 N ALA A 15 2.180 4.857 -14.736 1.00 0.00 N ATOM 211 CA ALA A 15 1.479 5.873 -15.526 1.00 0.00 C ATOM 212 C ALA A 15 0.168 6.376 -14.874 1.00 0.00 C ATOM 213 O ALA A 15 -0.308 7.463 -15.209 1.00 0.00 O ATOM 214 CB ALA A 15 1.220 5.286 -16.920 1.00 0.00 C ATOM 0 H ALA A 15 2.067 3.912 -15.104 1.00 0.00 H new ATOM 0 HA ALA A 15 2.112 6.758 -15.587 1.00 0.00 H new ATOM 0 HB1 ALA A 15 0.698 6.021 -17.533 1.00 0.00 H new ATOM 0 HB2 ALA A 15 2.170 5.031 -17.390 1.00 0.00 H new ATOM 0 HB3 ALA A 15 0.608 4.389 -16.829 1.00 0.00 H new ATOM 220 N SER A 16 -0.409 5.599 -13.948 1.00 0.00 N ATOM 221 CA SER A 16 -1.707 5.859 -13.298 1.00 0.00 C ATOM 222 C SER A 16 -1.593 6.259 -11.821 1.00 0.00 C ATOM 223 O SER A 16 -2.522 6.850 -11.273 1.00 0.00 O ATOM 224 CB SER A 16 -2.617 4.633 -13.446 1.00 0.00 C ATOM 225 OG SER A 16 -2.831 4.333 -14.819 1.00 0.00 O ATOM 0 H SER A 16 0.029 4.740 -13.616 1.00 0.00 H new ATOM 0 HA SER A 16 -2.141 6.718 -13.809 1.00 0.00 H new ATOM 0 HB2 SER A 16 -2.166 3.776 -12.947 1.00 0.00 H new ATOM 0 HB3 SER A 16 -3.572 4.821 -12.956 1.00 0.00 H new ATOM 0 HG SER A 16 -3.412 3.547 -14.896 1.00 0.00 H new ATOM 231 N PHE A 17 -0.461 5.974 -11.166 1.00 0.00 N ATOM 232 CA PHE A 17 -0.227 6.170 -9.729 1.00 0.00 C ATOM 233 C PHE A 17 -0.542 7.598 -9.261 1.00 0.00 C ATOM 234 O PHE A 17 -1.168 7.791 -8.219 1.00 0.00 O ATOM 235 CB PHE A 17 1.239 5.814 -9.432 1.00 0.00 C ATOM 236 CG PHE A 17 1.560 5.615 -7.963 1.00 0.00 C ATOM 237 CD1 PHE A 17 1.737 6.718 -7.104 1.00 0.00 C ATOM 238 CD2 PHE A 17 1.714 4.309 -7.460 1.00 0.00 C ATOM 239 CE1 PHE A 17 2.051 6.514 -5.749 1.00 0.00 C ATOM 240 CE2 PHE A 17 2.067 4.108 -6.117 1.00 0.00 C ATOM 241 CZ PHE A 17 2.228 5.208 -5.258 1.00 0.00 C ATOM 0 H PHE A 17 0.352 5.584 -11.643 1.00 0.00 H new ATOM 0 HA PHE A 17 -0.905 5.520 -9.176 1.00 0.00 H new ATOM 0 HB2 PHE A 17 1.493 4.902 -9.972 1.00 0.00 H new ATOM 0 HB3 PHE A 17 1.877 6.605 -9.825 1.00 0.00 H new ATOM 0 HD1 PHE A 17 1.631 7.722 -7.487 1.00 0.00 H new ATOM 0 HD2 PHE A 17 1.560 3.460 -8.109 1.00 0.00 H new ATOM 0 HE1 PHE A 17 2.156 7.360 -5.085 1.00 0.00 H new ATOM 0 HE2 PHE A 17 2.215 3.106 -5.743 1.00 0.00 H new ATOM 0 HZ PHE A 17 2.487 5.051 -4.221 1.00 0.00 H new ATOM 251 N ALA A 18 -0.163 8.609 -10.047 1.00 0.00 N ATOM 252 CA ALA A 18 -0.443 10.006 -9.725 1.00 0.00 C ATOM 253 C ALA A 18 -1.949 10.350 -9.758 1.00 0.00 C ATOM 254 O ALA A 18 -2.411 11.187 -8.983 1.00 0.00 O ATOM 255 CB ALA A 18 0.377 10.898 -10.663 1.00 0.00 C ATOM 0 H ALA A 18 0.345 8.480 -10.922 1.00 0.00 H new ATOM 0 HA ALA A 18 -0.144 10.189 -8.693 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.179 11.945 -10.435 1.00 0.00 H new ATOM 0 HB2 ALA A 18 1.438 10.691 -10.526 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.098 10.693 -11.696 1.00 0.00 H new ATOM 261 N THR A 19 -2.719 9.681 -10.620 1.00 0.00 N ATOM 262 CA THR A 19 -4.174 9.861 -10.780 1.00 0.00 C ATOM 263 C THR A 19 -4.986 9.015 -9.786 1.00 0.00 C ATOM 264 O THR A 19 -6.131 9.353 -9.490 1.00 0.00 O ATOM 265 CB THR A 19 -4.591 9.519 -12.226 1.00 0.00 C ATOM 266 OG1 THR A 19 -3.707 10.125 -13.152 1.00 0.00 O ATOM 267 CG2 THR A 19 -5.994 10.010 -12.591 1.00 0.00 C ATOM 0 H THR A 19 -2.339 8.974 -11.249 1.00 0.00 H new ATOM 0 HA THR A 19 -4.394 10.907 -10.567 1.00 0.00 H new ATOM 0 HB THR A 19 -4.566 8.430 -12.276 1.00 0.00 H new ATOM 0 HG1 THR A 19 -3.983 9.898 -14.064 1.00 0.00 H new ATOM 0 HG21 THR A 19 -6.219 9.734 -13.621 1.00 0.00 H new ATOM 0 HG22 THR A 19 -6.725 9.552 -11.925 1.00 0.00 H new ATOM 0 HG23 THR A 19 -6.038 11.094 -12.487 1.00 0.00 H new ATOM 275 N ASP A 20 -4.411 7.936 -9.242 1.00 0.00 N ATOM 276 CA ASP A 20 -5.052 7.058 -8.250 1.00 0.00 C ATOM 277 C ASP A 20 -4.693 7.375 -6.784 1.00 0.00 C ATOM 278 O ASP A 20 -5.570 7.342 -5.917 1.00 0.00 O ATOM 279 CB ASP A 20 -4.718 5.596 -8.578 1.00 0.00 C ATOM 280 CG ASP A 20 -5.530 5.054 -9.768 1.00 0.00 C ATOM 281 OD1 ASP A 20 -6.782 5.126 -9.734 1.00 0.00 O ATOM 282 OD2 ASP A 20 -4.924 4.516 -10.723 1.00 0.00 O ATOM 0 H ASP A 20 -3.465 7.640 -9.483 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.124 7.240 -8.326 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -3.654 5.512 -8.801 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -4.910 4.978 -7.701 1.00 0.00 H new ATOM 287 N VAL A 21 -3.417 7.660 -6.491 1.00 0.00 N ATOM 288 CA VAL A 21 -2.889 7.865 -5.126 1.00 0.00 C ATOM 289 C VAL A 21 -2.656 9.349 -4.828 1.00 0.00 C ATOM 290 O VAL A 21 -3.184 9.880 -3.850 1.00 0.00 O ATOM 291 CB VAL A 21 -1.590 7.052 -4.905 1.00 0.00 C ATOM 292 CG1 VAL A 21 -1.061 7.187 -3.472 1.00 0.00 C ATOM 293 CG2 VAL A 21 -1.795 5.557 -5.191 1.00 0.00 C ATOM 0 H VAL A 21 -2.702 7.758 -7.211 1.00 0.00 H new ATOM 0 HA VAL A 21 -3.643 7.502 -4.428 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.865 7.468 -5.605 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -0.149 6.600 -3.364 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -0.845 8.234 -3.261 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -1.812 6.823 -2.771 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -0.860 5.023 -5.024 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -2.563 5.161 -4.526 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -2.109 5.424 -6.226 1.00 0.00 H new ATOM 303 N LEU A 22 -1.886 10.039 -5.677 1.00 0.00 N ATOM 304 CA LEU A 22 -1.458 11.429 -5.436 1.00 0.00 C ATOM 305 C LEU A 22 -2.573 12.468 -5.676 1.00 0.00 C ATOM 306 O LEU A 22 -2.446 13.627 -5.278 1.00 0.00 O ATOM 307 CB LEU A 22 -0.169 11.753 -6.214 1.00 0.00 C ATOM 308 CG LEU A 22 0.965 10.722 -6.051 1.00 0.00 C ATOM 309 CD1 LEU A 22 2.175 11.147 -6.885 1.00 0.00 C ATOM 310 CD2 LEU A 22 1.436 10.539 -4.609 1.00 0.00 C ATOM 0 H LEU A 22 -1.539 9.651 -6.554 1.00 0.00 H new ATOM 0 HA LEU A 22 -1.231 11.505 -4.373 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -0.413 11.838 -7.273 1.00 0.00 H new ATOM 0 HB3 LEU A 22 0.197 12.728 -5.892 1.00 0.00 H new ATOM 0 HG LEU A 22 0.548 9.773 -6.387 1.00 0.00 H new ATOM 0 HD11 LEU A 22 2.974 10.415 -6.766 1.00 0.00 H new ATOM 0 HD12 LEU A 22 1.890 11.206 -7.935 1.00 0.00 H new ATOM 0 HD13 LEU A 22 2.524 12.123 -6.548 1.00 0.00 H new ATOM 0 HD21 LEU A 22 2.235 9.798 -4.578 1.00 0.00 H new ATOM 0 HD22 LEU A 22 1.807 11.489 -4.224 1.00 0.00 H new ATOM 0 HD23 LEU A 22 0.602 10.200 -3.994 1.00 0.00 H new ATOM 322 N SER A 23 -3.681 12.048 -6.287 1.00 0.00 N ATOM 323 CA SER A 23 -4.911 12.826 -6.490 1.00 0.00 C ATOM 324 C SER A 23 -5.808 12.921 -5.242 1.00 0.00 C ATOM 325 O SER A 23 -6.750 13.719 -5.219 1.00 0.00 O ATOM 326 CB SER A 23 -5.711 12.155 -7.610 1.00 0.00 C ATOM 327 OG SER A 23 -6.051 10.838 -7.211 1.00 0.00 O ATOM 0 H SER A 23 -3.752 11.107 -6.675 1.00 0.00 H new ATOM 0 HA SER A 23 -4.610 13.845 -6.734 1.00 0.00 H new ATOM 0 HB2 SER A 23 -6.613 12.728 -7.823 1.00 0.00 H new ATOM 0 HB3 SER A 23 -5.125 12.130 -8.528 1.00 0.00 H new ATOM 0 HG SER A 23 -6.189 10.281 -8.005 1.00 0.00 H new ATOM 333 N SER A 24 -5.564 12.084 -4.225 1.00 0.00 N ATOM 334 CA SER A 24 -6.535 11.782 -3.165 1.00 0.00 C ATOM 335 C SER A 24 -6.826 12.946 -2.203 1.00 0.00 C ATOM 336 O SER A 24 -5.948 13.751 -1.883 1.00 0.00 O ATOM 337 CB SER A 24 -6.080 10.551 -2.382 1.00 0.00 C ATOM 338 OG SER A 24 -7.136 10.119 -1.545 1.00 0.00 O ATOM 0 H SER A 24 -4.677 11.592 -4.114 1.00 0.00 H new ATOM 0 HA SER A 24 -7.479 11.590 -3.675 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.793 9.754 -3.068 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.200 10.789 -1.785 1.00 0.00 H new ATOM 0 HG SER A 24 -7.079 9.149 -1.421 1.00 0.00 H new ATOM 344 N ASN A 25 -8.059 12.980 -1.688 1.00 0.00 N ATOM 345 CA ASN A 25 -8.528 13.818 -0.573 1.00 0.00 C ATOM 346 C ASN A 25 -8.757 12.999 0.727 1.00 0.00 C ATOM 347 O ASN A 25 -9.530 13.395 1.606 1.00 0.00 O ATOM 348 CB ASN A 25 -9.761 14.625 -1.026 1.00 0.00 C ATOM 349 CG ASN A 25 -11.011 13.792 -1.292 1.00 0.00 C ATOM 350 OD1 ASN A 25 -11.008 12.568 -1.323 1.00 0.00 O ATOM 351 ND2 ASN A 25 -12.132 14.439 -1.520 1.00 0.00 N ATOM 0 H ASN A 25 -8.803 12.389 -2.059 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.747 14.530 -0.306 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -9.992 15.367 -0.262 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -9.506 15.171 -1.934 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -12.988 13.922 -1.720 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -12.146 15.459 -1.497 1.00 0.00 H new ATOM 358 N LYS A 26 -8.113 11.827 0.814 1.00 0.00 N ATOM 359 CA LYS A 26 -8.174 10.830 1.896 1.00 0.00 C ATOM 360 C LYS A 26 -6.752 10.290 2.162 1.00 0.00 C ATOM 361 O LYS A 26 -5.921 10.324 1.248 1.00 0.00 O ATOM 362 CB LYS A 26 -9.124 9.704 1.426 1.00 0.00 C ATOM 363 CG LYS A 26 -9.618 8.765 2.538 1.00 0.00 C ATOM 364 CD LYS A 26 -10.210 7.450 2.011 1.00 0.00 C ATOM 365 CE LYS A 26 -11.371 7.608 1.026 1.00 0.00 C ATOM 366 NZ LYS A 26 -11.817 6.277 0.543 1.00 0.00 N ATOM 0 H LYS A 26 -7.484 11.526 0.070 1.00 0.00 H new ATOM 0 HA LYS A 26 -8.547 11.260 2.825 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -9.989 10.157 0.943 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -8.612 9.109 0.670 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -8.788 8.538 3.207 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -10.372 9.282 3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -9.417 6.882 1.525 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -10.552 6.858 2.860 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -12.200 8.124 1.510 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -11.061 8.224 0.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -12.571 6.399 -0.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -11.014 5.778 0.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -12.179 5.721 1.344 1.00 0.00 H new ATOM 380 N PRO A 27 -6.430 9.756 3.354 1.00 0.00 N ATOM 381 CA PRO A 27 -5.273 8.878 3.515 1.00 0.00 C ATOM 382 C PRO A 27 -5.321 7.659 2.575 1.00 0.00 C ATOM 383 O PRO A 27 -6.388 7.084 2.338 1.00 0.00 O ATOM 384 CB PRO A 27 -5.249 8.492 4.997 1.00 0.00 C ATOM 385 CG PRO A 27 -5.952 9.669 5.674 1.00 0.00 C ATOM 386 CD PRO A 27 -7.013 10.074 4.649 1.00 0.00 C ATOM 0 HA PRO A 27 -4.350 9.384 3.232 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.772 7.553 5.177 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -4.230 8.366 5.364 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.400 9.379 6.625 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.261 10.485 5.883 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.943 9.528 4.807 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -7.250 11.135 4.725 1.00 0.00 H new ATOM 394 N VAL A 28 -4.165 7.265 2.031 1.00 0.00 N ATOM 395 CA VAL A 28 -4.022 6.114 1.118 1.00 0.00 C ATOM 396 C VAL A 28 -2.836 5.243 1.534 1.00 0.00 C ATOM 397 O VAL A 28 -1.702 5.715 1.584 1.00 0.00 O ATOM 398 CB VAL A 28 -3.885 6.539 -0.364 1.00 0.00 C ATOM 399 CG1 VAL A 28 -3.912 5.315 -1.293 1.00 0.00 C ATOM 400 CG2 VAL A 28 -5.008 7.479 -0.811 1.00 0.00 C ATOM 0 H VAL A 28 -3.282 7.743 2.213 1.00 0.00 H new ATOM 0 HA VAL A 28 -4.941 5.533 1.198 1.00 0.00 H new ATOM 0 HB VAL A 28 -2.930 7.059 -0.434 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -3.814 5.642 -2.328 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.086 4.650 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -4.856 4.784 -1.168 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -4.864 7.746 -1.858 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.969 6.979 -0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.991 8.382 -0.201 1.00 0.00 H new ATOM 410 N LEU A 29 -3.083 3.959 1.789 1.00 0.00 N ATOM 411 CA LEU A 29 -2.053 2.945 2.004 1.00 0.00 C ATOM 412 C LEU A 29 -1.666 2.348 0.646 1.00 0.00 C ATOM 413 O LEU A 29 -2.551 1.942 -0.103 1.00 0.00 O ATOM 414 CB LEU A 29 -2.625 1.861 2.948 1.00 0.00 C ATOM 415 CG LEU A 29 -1.621 1.100 3.834 1.00 0.00 C ATOM 416 CD1 LEU A 29 -0.544 0.362 3.040 1.00 0.00 C ATOM 417 CD2 LEU A 29 -0.936 2.010 4.856 1.00 0.00 C ATOM 0 H LEU A 29 -4.030 3.586 1.853 1.00 0.00 H new ATOM 0 HA LEU A 29 -1.162 3.374 2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -3.360 2.334 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -3.160 1.131 2.340 1.00 0.00 H new ATOM 0 HG LEU A 29 -2.231 0.362 4.354 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.128 -0.151 3.728 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -1.014 -0.367 2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 29 0.024 1.077 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -0.239 1.424 5.455 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -0.393 2.799 4.335 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -1.688 2.456 5.507 1.00 0.00 H new ATOM 429 N VAL A 30 -0.378 2.245 0.328 1.00 0.00 N ATOM 430 CA VAL A 30 0.119 1.485 -0.830 1.00 0.00 C ATOM 431 C VAL A 30 1.054 0.374 -0.358 1.00 0.00 C ATOM 432 O VAL A 30 2.012 0.639 0.368 1.00 0.00 O ATOM 433 CB VAL A 30 0.818 2.379 -1.872 1.00 0.00 C ATOM 434 CG1 VAL A 30 1.068 1.586 -3.162 1.00 0.00 C ATOM 435 CG2 VAL A 30 0.010 3.632 -2.238 1.00 0.00 C ATOM 0 H VAL A 30 0.363 2.690 0.869 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.746 1.047 -1.328 1.00 0.00 H new ATOM 0 HB VAL A 30 1.752 2.700 -1.412 1.00 0.00 H new ATOM 0 HG11 VAL A 30 1.562 2.226 -3.893 1.00 0.00 H new ATOM 0 HG12 VAL A 30 1.703 0.727 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 30 0.117 1.241 -3.567 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.559 4.217 -2.976 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.953 3.335 -2.654 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.151 4.235 -1.344 1.00 0.00 H new ATOM 445 N ASP A 31 0.804 -0.863 -0.787 1.00 0.00 N ATOM 446 CA ASP A 31 1.728 -1.989 -0.604 1.00 0.00 C ATOM 447 C ASP A 31 2.493 -2.295 -1.900 1.00 0.00 C ATOM 448 O ASP A 31 1.885 -2.528 -2.949 1.00 0.00 O ATOM 449 CB ASP A 31 0.974 -3.222 -0.091 1.00 0.00 C ATOM 450 CG ASP A 31 1.923 -4.389 0.249 1.00 0.00 C ATOM 451 OD1 ASP A 31 3.084 -4.135 0.647 1.00 0.00 O ATOM 452 OD2 ASP A 31 1.494 -5.558 0.138 1.00 0.00 O ATOM 0 H ASP A 31 -0.054 -1.117 -1.277 1.00 0.00 H new ATOM 0 HA ASP A 31 2.466 -1.709 0.147 1.00 0.00 H new ATOM 0 HB2 ASP A 31 0.402 -2.952 0.796 1.00 0.00 H new ATOM 0 HB3 ASP A 31 0.258 -3.547 -0.846 1.00 0.00 H new ATOM 457 N PHE A 32 3.823 -2.305 -1.821 1.00 0.00 N ATOM 458 CA PHE A 32 4.733 -2.690 -2.899 1.00 0.00 C ATOM 459 C PHE A 32 5.130 -4.161 -2.720 1.00 0.00 C ATOM 460 O PHE A 32 5.811 -4.516 -1.752 1.00 0.00 O ATOM 461 CB PHE A 32 5.953 -1.758 -2.900 1.00 0.00 C ATOM 462 CG PHE A 32 5.670 -0.360 -3.421 1.00 0.00 C ATOM 463 CD1 PHE A 32 4.962 0.576 -2.640 1.00 0.00 C ATOM 464 CD2 PHE A 32 6.128 0.011 -4.699 1.00 0.00 C ATOM 465 CE1 PHE A 32 4.701 1.864 -3.144 1.00 0.00 C ATOM 466 CE2 PHE A 32 5.891 1.306 -5.188 1.00 0.00 C ATOM 467 CZ PHE A 32 5.168 2.232 -4.416 1.00 0.00 C ATOM 0 H PHE A 32 4.316 -2.034 -0.970 1.00 0.00 H new ATOM 0 HA PHE A 32 4.243 -2.589 -3.868 1.00 0.00 H new ATOM 0 HB2 PHE A 32 6.339 -1.683 -1.884 1.00 0.00 H new ATOM 0 HB3 PHE A 32 6.739 -2.207 -3.507 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.619 0.304 -1.653 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.664 -0.703 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 32 4.140 2.571 -2.551 1.00 0.00 H new ATOM 0 HE2 PHE A 32 6.265 1.591 -6.160 1.00 0.00 H new ATOM 0 HZ PHE A 32 4.973 3.222 -4.800 1.00 0.00 H new ATOM 477 N TRP A 33 4.679 -5.020 -3.640 1.00 0.00 N ATOM 478 CA TRP A 33 4.723 -6.479 -3.484 1.00 0.00 C ATOM 479 C TRP A 33 4.862 -7.248 -4.806 1.00 0.00 C ATOM 480 O TRP A 33 4.751 -6.666 -5.883 1.00 0.00 O ATOM 481 CB TRP A 33 3.485 -6.938 -2.695 1.00 0.00 C ATOM 482 CG TRP A 33 2.172 -7.092 -3.409 1.00 0.00 C ATOM 483 CD1 TRP A 33 1.819 -6.583 -4.612 1.00 0.00 C ATOM 484 CD2 TRP A 33 1.005 -7.841 -2.955 1.00 0.00 C ATOM 485 NE1 TRP A 33 0.567 -7.035 -4.970 1.00 0.00 N ATOM 486 CE2 TRP A 33 0.026 -7.848 -3.995 1.00 0.00 C ATOM 487 CE3 TRP A 33 0.685 -8.523 -1.763 1.00 0.00 C ATOM 488 CZ2 TRP A 33 -1.181 -8.556 -3.875 1.00 0.00 C ATOM 489 CZ3 TRP A 33 -0.554 -9.169 -1.607 1.00 0.00 C ATOM 490 CH2 TRP A 33 -1.484 -9.196 -2.659 1.00 0.00 C ATOM 0 H TRP A 33 4.268 -4.719 -4.524 1.00 0.00 H new ATOM 0 HA TRP A 33 5.631 -6.717 -2.930 1.00 0.00 H new ATOM 0 HB2 TRP A 33 3.725 -7.899 -2.240 1.00 0.00 H new ATOM 0 HB3 TRP A 33 3.334 -6.229 -1.881 1.00 0.00 H new ATOM 0 HD1 TRP A 33 2.430 -5.919 -5.206 1.00 0.00 H new ATOM 0 HE1 TRP A 33 0.099 -6.798 -5.845 1.00 0.00 H new ATOM 0 HE3 TRP A 33 1.403 -8.550 -0.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 33 -1.869 -8.609 -4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 33 -0.793 -9.649 -0.669 1.00 0.00 H new ATOM 0 HH2 TRP A 33 -2.428 -9.706 -2.535 1.00 0.00 H new ATOM 501 N ALA A 34 5.079 -8.561 -4.729 1.00 0.00 N ATOM 502 CA ALA A 34 5.119 -9.479 -5.872 1.00 0.00 C ATOM 503 C ALA A 34 4.126 -10.650 -5.707 1.00 0.00 C ATOM 504 O ALA A 34 3.488 -10.818 -4.663 1.00 0.00 O ATOM 505 CB ALA A 34 6.568 -9.950 -6.055 1.00 0.00 C ATOM 0 H ALA A 34 5.238 -9.033 -3.839 1.00 0.00 H new ATOM 0 HA ALA A 34 4.796 -8.962 -6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.624 -10.635 -6.901 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.210 -9.089 -6.243 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.901 -10.461 -5.152 1.00 0.00 H new ATOM 511 N THR A 35 3.996 -11.491 -6.734 1.00 0.00 N ATOM 512 CA THR A 35 3.094 -12.663 -6.744 1.00 0.00 C ATOM 513 C THR A 35 3.602 -13.848 -5.908 1.00 0.00 C ATOM 514 O THR A 35 2.815 -14.719 -5.537 1.00 0.00 O ATOM 515 CB THR A 35 2.855 -13.137 -8.188 1.00 0.00 C ATOM 516 OG1 THR A 35 4.091 -13.336 -8.842 1.00 0.00 O ATOM 517 CG2 THR A 35 2.063 -12.111 -9.001 1.00 0.00 C ATOM 0 H THR A 35 4.521 -11.382 -7.602 1.00 0.00 H new ATOM 0 HA THR A 35 2.165 -12.324 -6.285 1.00 0.00 H new ATOM 0 HB THR A 35 2.287 -14.065 -8.126 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.819 -13.288 -8.188 1.00 0.00 H new ATOM 0 HG21 THR A 35 1.916 -12.485 -10.014 1.00 0.00 H new ATOM 0 HG22 THR A 35 1.093 -11.945 -8.531 1.00 0.00 H new ATOM 0 HG23 THR A 35 2.614 -11.171 -9.037 1.00 0.00 H new ATOM 525 N TRP A 36 4.902 -13.880 -5.593 1.00 0.00 N ATOM 526 CA TRP A 36 5.626 -15.052 -5.072 1.00 0.00 C ATOM 527 C TRP A 36 6.173 -14.909 -3.637 1.00 0.00 C ATOM 528 O TRP A 36 6.685 -15.885 -3.083 1.00 0.00 O ATOM 529 CB TRP A 36 6.745 -15.387 -6.076 1.00 0.00 C ATOM 530 CG TRP A 36 7.533 -14.219 -6.607 1.00 0.00 C ATOM 531 CD1 TRP A 36 7.390 -13.693 -7.846 1.00 0.00 C ATOM 532 CD2 TRP A 36 8.543 -13.391 -5.943 1.00 0.00 C ATOM 533 NE1 TRP A 36 8.235 -12.612 -8.000 1.00 0.00 N ATOM 534 CE2 TRP A 36 8.951 -12.363 -6.851 1.00 0.00 C ATOM 535 CE3 TRP A 36 9.150 -13.390 -4.667 1.00 0.00 C ATOM 536 CZ2 TRP A 36 9.884 -11.375 -6.501 1.00 0.00 C ATOM 537 CZ3 TRP A 36 10.086 -12.401 -4.305 1.00 0.00 C ATOM 538 CH2 TRP A 36 10.449 -11.392 -5.215 1.00 0.00 C ATOM 0 H TRP A 36 5.503 -13.062 -5.697 1.00 0.00 H new ATOM 0 HA TRP A 36 4.909 -15.868 -4.981 1.00 0.00 H new ATOM 0 HB2 TRP A 36 7.438 -16.079 -5.598 1.00 0.00 H new ATOM 0 HB3 TRP A 36 6.301 -15.913 -6.921 1.00 0.00 H new ATOM 0 HD1 TRP A 36 6.715 -14.064 -8.603 1.00 0.00 H new ATOM 0 HE1 TRP A 36 8.318 -12.066 -8.858 1.00 0.00 H new ATOM 0 HE3 TRP A 36 8.892 -14.161 -3.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 10.164 -10.611 -7.211 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 10.529 -12.418 -3.320 1.00 0.00 H new ATOM 0 HH2 TRP A 36 11.160 -10.632 -4.926 1.00 0.00 H new ATOM 549 N CYS A 37 6.093 -13.726 -3.019 1.00 0.00 N ATOM 550 CA CYS A 37 6.724 -13.447 -1.722 1.00 0.00 C ATOM 551 C CYS A 37 5.913 -13.953 -0.509 1.00 0.00 C ATOM 552 O CYS A 37 4.744 -13.614 -0.325 1.00 0.00 O ATOM 553 CB CYS A 37 7.102 -11.957 -1.624 1.00 0.00 C ATOM 554 SG CYS A 37 6.012 -10.747 -2.433 1.00 0.00 S ATOM 0 H CYS A 37 5.586 -12.930 -3.406 1.00 0.00 H new ATOM 0 HA CYS A 37 7.644 -14.030 -1.678 1.00 0.00 H new ATOM 0 HB2 CYS A 37 7.164 -11.697 -0.567 1.00 0.00 H new ATOM 0 HB3 CYS A 37 8.102 -11.838 -2.041 1.00 0.00 H new ATOM 559 N GLY A 38 6.565 -14.715 0.376 1.00 0.00 N ATOM 560 CA GLY A 38 5.973 -15.245 1.614 1.00 0.00 C ATOM 561 C GLY A 38 5.388 -14.168 2.541 1.00 0.00 C ATOM 562 O GLY A 38 4.174 -14.166 2.766 1.00 0.00 O ATOM 0 H GLY A 38 7.540 -14.988 0.251 1.00 0.00 H new ATOM 0 HA2 GLY A 38 5.185 -15.952 1.354 1.00 0.00 H new ATOM 0 HA3 GLY A 38 6.735 -15.803 2.158 1.00 0.00 H new ATOM 566 N PRO A 39 6.187 -13.202 3.044 1.00 0.00 N ATOM 567 CA PRO A 39 5.680 -12.155 3.935 1.00 0.00 C ATOM 568 C PRO A 39 4.676 -11.210 3.260 1.00 0.00 C ATOM 569 O PRO A 39 3.784 -10.696 3.932 1.00 0.00 O ATOM 570 CB PRO A 39 6.923 -11.427 4.463 1.00 0.00 C ATOM 571 CG PRO A 39 7.984 -11.686 3.399 1.00 0.00 C ATOM 572 CD PRO A 39 7.633 -13.085 2.897 1.00 0.00 C ATOM 0 HA PRO A 39 5.099 -12.589 4.749 1.00 0.00 H new ATOM 0 HB2 PRO A 39 6.737 -10.360 4.589 1.00 0.00 H new ATOM 0 HB3 PRO A 39 7.230 -11.814 5.435 1.00 0.00 H new ATOM 0 HG2 PRO A 39 7.941 -10.948 2.598 1.00 0.00 H new ATOM 0 HG3 PRO A 39 8.991 -11.647 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 39 7.933 -13.215 1.857 1.00 0.00 H new ATOM 0 HD3 PRO A 39 8.149 -13.850 3.476 1.00 0.00 H new ATOM 580 N CYS A 40 4.748 -11.023 1.936 1.00 0.00 N ATOM 581 CA CYS A 40 3.764 -10.206 1.219 1.00 0.00 C ATOM 582 C CYS A 40 2.406 -10.923 1.084 1.00 0.00 C ATOM 583 O CYS A 40 1.355 -10.290 1.181 1.00 0.00 O ATOM 584 CB CYS A 40 4.349 -9.727 -0.109 1.00 0.00 C ATOM 585 SG CYS A 40 4.218 -10.872 -1.499 1.00 0.00 S ATOM 0 H CYS A 40 5.474 -11.425 1.343 1.00 0.00 H new ATOM 0 HA CYS A 40 3.546 -9.314 1.807 1.00 0.00 H new ATOM 0 HB2 CYS A 40 3.854 -8.796 -0.385 1.00 0.00 H new ATOM 0 HB3 CYS A 40 5.403 -9.495 0.045 1.00 0.00 H new ATOM 590 N LYS A 41 2.403 -12.258 0.955 1.00 0.00 N ATOM 591 CA LYS A 41 1.193 -13.091 1.077 1.00 0.00 C ATOM 592 C LYS A 41 0.672 -13.173 2.520 1.00 0.00 C ATOM 593 O LYS A 41 -0.541 -13.218 2.706 1.00 0.00 O ATOM 594 CB LYS A 41 1.443 -14.472 0.443 1.00 0.00 C ATOM 595 CG LYS A 41 0.986 -14.609 -1.026 1.00 0.00 C ATOM 596 CD LYS A 41 1.556 -13.627 -2.071 1.00 0.00 C ATOM 597 CE LYS A 41 0.861 -12.255 -2.052 1.00 0.00 C ATOM 598 NZ LYS A 41 1.098 -11.473 -3.294 1.00 0.00 N ATOM 0 H LYS A 41 3.247 -12.797 0.761 1.00 0.00 H new ATOM 0 HA LYS A 41 0.388 -12.610 0.521 1.00 0.00 H new ATOM 0 HB2 LYS A 41 2.509 -14.693 0.498 1.00 0.00 H new ATOM 0 HB3 LYS A 41 0.930 -15.227 1.039 1.00 0.00 H new ATOM 0 HG2 LYS A 41 1.228 -15.620 -1.355 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -0.100 -14.519 -1.045 1.00 0.00 H new ATOM 0 HD2 LYS A 41 2.622 -13.490 -1.889 1.00 0.00 H new ATOM 0 HD3 LYS A 41 1.456 -14.064 -3.064 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -0.211 -12.398 -1.917 1.00 0.00 H new ATOM 0 HE3 LYS A 41 1.217 -11.684 -1.195 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 0.801 -10.487 -3.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 2.110 -11.498 -3.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 0.549 -11.886 -4.074 1.00 0.00 H new ATOM 612 N MET A 42 1.531 -13.099 3.543 1.00 0.00 N ATOM 613 CA MET A 42 1.081 -13.010 4.947 1.00 0.00 C ATOM 614 C MET A 42 0.332 -11.702 5.279 1.00 0.00 C ATOM 615 O MET A 42 -0.579 -11.730 6.107 1.00 0.00 O ATOM 616 CB MET A 42 2.242 -13.232 5.933 1.00 0.00 C ATOM 617 CG MET A 42 2.747 -14.682 5.915 1.00 0.00 C ATOM 618 SD MET A 42 3.784 -15.161 7.329 1.00 0.00 S ATOM 619 CE MET A 42 5.272 -14.166 7.043 1.00 0.00 C ATOM 0 H MET A 42 2.545 -13.099 3.430 1.00 0.00 H new ATOM 0 HA MET A 42 0.360 -13.818 5.066 1.00 0.00 H new ATOM 0 HB2 MET A 42 3.063 -12.560 5.683 1.00 0.00 H new ATOM 0 HB3 MET A 42 1.915 -12.975 6.941 1.00 0.00 H new ATOM 0 HG2 MET A 42 1.886 -15.349 5.875 1.00 0.00 H new ATOM 0 HG3 MET A 42 3.316 -14.840 4.999 1.00 0.00 H new ATOM 0 HE1 MET A 42 5.996 -14.358 7.835 1.00 0.00 H new ATOM 0 HE2 MET A 42 5.708 -14.432 6.080 1.00 0.00 H new ATOM 0 HE3 MET A 42 5.008 -13.108 7.042 1.00 0.00 H new ATOM 629 N VAL A 43 0.641 -10.575 4.618 1.00 0.00 N ATOM 630 CA VAL A 43 -0.122 -9.312 4.756 1.00 0.00 C ATOM 631 C VAL A 43 -1.315 -9.191 3.799 1.00 0.00 C ATOM 632 O VAL A 43 -2.106 -8.262 3.949 1.00 0.00 O ATOM 633 CB VAL A 43 0.766 -8.053 4.698 1.00 0.00 C ATOM 634 CG1 VAL A 43 1.791 -8.054 5.833 1.00 0.00 C ATOM 635 CG2 VAL A 43 1.507 -7.877 3.374 1.00 0.00 C ATOM 0 H VAL A 43 1.427 -10.508 3.971 1.00 0.00 H new ATOM 0 HA VAL A 43 -0.539 -9.370 5.761 1.00 0.00 H new ATOM 0 HB VAL A 43 0.075 -7.216 4.802 1.00 0.00 H new ATOM 0 HG11 VAL A 43 2.405 -7.156 5.770 1.00 0.00 H new ATOM 0 HG12 VAL A 43 1.272 -8.072 6.792 1.00 0.00 H new ATOM 0 HG13 VAL A 43 2.427 -8.935 5.748 1.00 0.00 H new ATOM 0 HG21 VAL A 43 2.110 -6.970 3.412 1.00 0.00 H new ATOM 0 HG22 VAL A 43 2.155 -8.736 3.203 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.785 -7.799 2.561 1.00 0.00 H new ATOM 645 N ALA A 44 -1.499 -10.122 2.855 1.00 0.00 N ATOM 646 CA ALA A 44 -2.658 -10.141 1.956 1.00 0.00 C ATOM 647 C ALA A 44 -4.018 -10.110 2.700 1.00 0.00 C ATOM 648 O ALA A 44 -4.794 -9.181 2.460 1.00 0.00 O ATOM 649 CB ALA A 44 -2.550 -11.327 0.986 1.00 0.00 C ATOM 0 H ALA A 44 -0.844 -10.887 2.693 1.00 0.00 H new ATOM 0 HA ALA A 44 -2.637 -9.216 1.379 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.414 -11.334 0.322 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -1.639 -11.232 0.395 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -2.520 -12.258 1.552 1.00 0.00 H new ATOM 655 N PRO A 45 -4.321 -11.011 3.664 1.00 0.00 N ATOM 656 CA PRO A 45 -5.573 -10.924 4.420 1.00 0.00 C ATOM 657 C PRO A 45 -5.690 -9.612 5.210 1.00 0.00 C ATOM 658 O PRO A 45 -6.779 -9.054 5.306 1.00 0.00 O ATOM 659 CB PRO A 45 -5.593 -12.153 5.337 1.00 0.00 C ATOM 660 CG PRO A 45 -4.118 -12.520 5.489 1.00 0.00 C ATOM 661 CD PRO A 45 -3.547 -12.161 4.120 1.00 0.00 C ATOM 0 HA PRO A 45 -6.433 -10.917 3.750 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.050 -11.926 6.300 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -6.165 -12.970 4.898 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -3.640 -11.955 6.289 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.984 -13.577 5.720 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -2.487 -11.918 4.189 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.639 -12.996 3.425 1.00 0.00 H new ATOM 669 N VAL A 46 -4.578 -9.064 5.717 1.00 0.00 N ATOM 670 CA VAL A 46 -4.557 -7.813 6.493 1.00 0.00 C ATOM 671 C VAL A 46 -4.911 -6.592 5.630 1.00 0.00 C ATOM 672 O VAL A 46 -5.798 -5.820 6.001 1.00 0.00 O ATOM 673 CB VAL A 46 -3.190 -7.647 7.191 1.00 0.00 C ATOM 674 CG1 VAL A 46 -3.040 -6.275 7.845 1.00 0.00 C ATOM 675 CG2 VAL A 46 -2.995 -8.725 8.265 1.00 0.00 C ATOM 0 H VAL A 46 -3.655 -9.481 5.599 1.00 0.00 H new ATOM 0 HA VAL A 46 -5.329 -7.876 7.260 1.00 0.00 H new ATOM 0 HB VAL A 46 -2.432 -7.748 6.414 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -2.063 -6.205 8.323 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -3.129 -5.498 7.086 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -3.821 -6.141 8.594 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -2.026 -8.590 8.744 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -3.784 -8.641 9.012 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -3.037 -9.711 7.802 1.00 0.00 H new ATOM 685 N LEU A 47 -4.268 -6.425 4.468 1.00 0.00 N ATOM 686 CA LEU A 47 -4.530 -5.305 3.553 1.00 0.00 C ATOM 687 C LEU A 47 -5.933 -5.409 2.929 1.00 0.00 C ATOM 688 O LEU A 47 -6.627 -4.397 2.821 1.00 0.00 O ATOM 689 CB LEU A 47 -3.356 -5.167 2.553 1.00 0.00 C ATOM 690 CG LEU A 47 -3.265 -6.193 1.408 1.00 0.00 C ATOM 691 CD1 LEU A 47 -4.100 -5.806 0.183 1.00 0.00 C ATOM 692 CD2 LEU A 47 -1.822 -6.323 0.924 1.00 0.00 C ATOM 0 H LEU A 47 -3.548 -7.065 4.134 1.00 0.00 H new ATOM 0 HA LEU A 47 -4.562 -4.362 4.099 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -3.409 -4.173 2.109 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.426 -5.214 3.120 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.646 -7.125 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -3.992 -6.570 -0.587 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -5.149 -5.724 0.469 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -3.754 -4.848 -0.205 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.774 -7.052 0.115 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -1.471 -5.356 0.563 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.190 -6.654 1.748 1.00 0.00 H new ATOM 704 N GLU A 48 -6.396 -6.621 2.600 1.00 0.00 N ATOM 705 CA GLU A 48 -7.748 -6.848 2.068 1.00 0.00 C ATOM 706 C GLU A 48 -8.843 -6.600 3.125 1.00 0.00 C ATOM 707 O GLU A 48 -9.892 -6.025 2.814 1.00 0.00 O ATOM 708 CB GLU A 48 -7.851 -8.275 1.502 1.00 0.00 C ATOM 709 CG GLU A 48 -7.001 -8.487 0.236 1.00 0.00 C ATOM 710 CD GLU A 48 -7.186 -9.914 -0.324 1.00 0.00 C ATOM 711 OE1 GLU A 48 -8.277 -10.221 -0.864 1.00 0.00 O ATOM 712 OE2 GLU A 48 -6.244 -10.739 -0.239 1.00 0.00 O ATOM 0 H GLU A 48 -5.844 -7.474 2.695 1.00 0.00 H new ATOM 0 HA GLU A 48 -7.916 -6.127 1.268 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -7.537 -8.986 2.266 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -8.894 -8.494 1.273 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -7.283 -7.756 -0.522 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -5.949 -8.317 0.467 1.00 0.00 H new ATOM 719 N GLU A 49 -8.598 -6.966 4.388 1.00 0.00 N ATOM 720 CA GLU A 49 -9.511 -6.677 5.499 1.00 0.00 C ATOM 721 C GLU A 49 -9.590 -5.176 5.794 1.00 0.00 C ATOM 722 O GLU A 49 -10.694 -4.647 5.820 1.00 0.00 O ATOM 723 CB GLU A 49 -9.141 -7.472 6.762 1.00 0.00 C ATOM 724 CG GLU A 49 -9.640 -8.924 6.674 1.00 0.00 C ATOM 725 CD GLU A 49 -9.158 -9.790 7.856 1.00 0.00 C ATOM 726 OE1 GLU A 49 -9.254 -9.335 9.021 1.00 0.00 O ATOM 727 OE2 GLU A 49 -8.732 -10.950 7.636 1.00 0.00 O ATOM 0 H GLU A 49 -7.758 -7.472 4.669 1.00 0.00 H new ATOM 0 HA GLU A 49 -10.503 -7.002 5.185 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.059 -7.464 6.895 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -9.574 -6.989 7.638 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -10.730 -8.929 6.646 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -9.295 -9.367 5.740 1.00 0.00 H new ATOM 734 N ILE A 50 -8.476 -4.444 5.921 1.00 0.00 N ATOM 735 CA ILE A 50 -8.539 -2.976 6.092 1.00 0.00 C ATOM 736 C ILE A 50 -9.240 -2.308 4.900 1.00 0.00 C ATOM 737 O ILE A 50 -10.050 -1.404 5.107 1.00 0.00 O ATOM 738 CB ILE A 50 -7.131 -2.385 6.310 1.00 0.00 C ATOM 739 CG1 ILE A 50 -6.509 -2.815 7.657 1.00 0.00 C ATOM 740 CG2 ILE A 50 -7.085 -0.848 6.212 1.00 0.00 C ATOM 741 CD1 ILE A 50 -7.229 -2.327 8.926 1.00 0.00 C ATOM 0 H ILE A 50 -7.532 -4.830 5.910 1.00 0.00 H new ATOM 0 HA ILE A 50 -9.132 -2.769 6.983 1.00 0.00 H new ATOM 0 HB ILE A 50 -6.541 -2.797 5.491 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -6.469 -3.904 7.683 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -5.480 -2.457 7.688 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -6.064 -0.503 6.376 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -7.419 -0.536 5.222 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -7.740 -0.415 6.968 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -6.701 -2.691 9.807 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -7.246 -1.237 8.938 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -8.251 -2.706 8.933 1.00 0.00 H new ATOM 753 N ALA A 51 -9.007 -2.778 3.669 1.00 0.00 N ATOM 754 CA ALA A 51 -9.712 -2.273 2.493 1.00 0.00 C ATOM 755 C ALA A 51 -11.234 -2.487 2.570 1.00 0.00 C ATOM 756 O ALA A 51 -11.996 -1.594 2.198 1.00 0.00 O ATOM 757 CB ALA A 51 -9.142 -2.952 1.250 1.00 0.00 C ATOM 0 H ALA A 51 -8.330 -3.513 3.464 1.00 0.00 H new ATOM 0 HA ALA A 51 -9.558 -1.195 2.446 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -9.660 -2.584 0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -8.079 -2.727 1.168 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -9.280 -4.030 1.329 1.00 0.00 H new ATOM 763 N THR A 52 -11.688 -3.639 3.080 1.00 0.00 N ATOM 764 CA THR A 52 -13.118 -3.922 3.273 1.00 0.00 C ATOM 765 C THR A 52 -13.697 -3.156 4.471 1.00 0.00 C ATOM 766 O THR A 52 -14.826 -2.667 4.400 1.00 0.00 O ATOM 767 CB THR A 52 -13.333 -5.439 3.428 1.00 0.00 C ATOM 768 OG1 THR A 52 -13.080 -6.078 2.189 1.00 0.00 O ATOM 769 CG2 THR A 52 -14.754 -5.833 3.830 1.00 0.00 C ATOM 0 H THR A 52 -11.076 -4.401 3.371 1.00 0.00 H new ATOM 0 HA THR A 52 -13.655 -3.576 2.390 1.00 0.00 H new ATOM 0 HB THR A 52 -12.652 -5.747 4.221 1.00 0.00 H new ATOM 0 HG1 THR A 52 -12.115 -6.209 2.080 1.00 0.00 H new ATOM 0 HG21 THR A 52 -14.820 -6.917 3.918 1.00 0.00 H new ATOM 0 HG22 THR A 52 -15.001 -5.376 4.788 1.00 0.00 H new ATOM 0 HG23 THR A 52 -15.456 -5.487 3.071 1.00 0.00 H new ATOM 777 N GLU A 53 -12.954 -3.037 5.576 1.00 0.00 N ATOM 778 CA GLU A 53 -13.490 -2.571 6.864 1.00 0.00 C ATOM 779 C GLU A 53 -13.385 -1.054 7.083 1.00 0.00 C ATOM 780 O GLU A 53 -14.266 -0.466 7.716 1.00 0.00 O ATOM 781 CB GLU A 53 -12.810 -3.323 8.021 1.00 0.00 C ATOM 782 CG GLU A 53 -13.114 -4.829 8.006 1.00 0.00 C ATOM 783 CD GLU A 53 -12.752 -5.482 9.353 1.00 0.00 C ATOM 784 OE1 GLU A 53 -11.548 -5.725 9.612 1.00 0.00 O ATOM 785 OE2 GLU A 53 -13.669 -5.764 10.161 1.00 0.00 O ATOM 0 H GLU A 53 -11.959 -3.262 5.605 1.00 0.00 H new ATOM 0 HA GLU A 53 -14.557 -2.793 6.841 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -11.732 -3.173 7.963 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -13.140 -2.899 8.969 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -14.171 -4.987 7.794 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -12.553 -5.308 7.204 1.00 0.00 H new ATOM 792 N ARG A 54 -12.318 -0.416 6.583 1.00 0.00 N ATOM 793 CA ARG A 54 -11.935 0.977 6.894 1.00 0.00 C ATOM 794 C ARG A 54 -11.963 1.910 5.674 1.00 0.00 C ATOM 795 O ARG A 54 -11.350 2.975 5.709 1.00 0.00 O ATOM 796 CB ARG A 54 -10.567 1.011 7.611 1.00 0.00 C ATOM 797 CG ARG A 54 -10.397 0.067 8.817 1.00 0.00 C ATOM 798 CD ARG A 54 -11.458 0.201 9.920 1.00 0.00 C ATOM 799 NE ARG A 54 -11.509 1.553 10.512 1.00 0.00 N ATOM 800 CZ ARG A 54 -11.524 1.881 11.790 1.00 0.00 C ATOM 801 NH1 ARG A 54 -11.406 1.012 12.756 1.00 0.00 N ATOM 802 NH2 ARG A 54 -11.675 3.129 12.108 1.00 0.00 N ATOM 0 H ARG A 54 -11.675 -0.865 5.931 1.00 0.00 H new ATOM 0 HA ARG A 54 -12.695 1.369 7.570 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -9.793 0.774 6.881 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -10.384 2.031 7.948 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -10.403 -0.961 8.455 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -9.416 0.243 9.258 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -12.436 -0.046 9.507 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -11.251 -0.526 10.706 1.00 0.00 H new ATOM 0 HE ARG A 54 -11.536 2.329 9.851 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.295 0.021 12.540 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -11.425 1.323 13.727 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -11.779 3.833 11.377 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -11.690 3.407 13.089 1.00 0.00 H new ATOM 816 N ALA A 55 -12.688 1.547 4.612 1.00 0.00 N ATOM 817 CA ALA A 55 -12.764 2.295 3.346 1.00 0.00 C ATOM 818 C ALA A 55 -13.136 3.790 3.494 1.00 0.00 C ATOM 819 O ALA A 55 -12.745 4.617 2.665 1.00 0.00 O ATOM 820 CB ALA A 55 -13.785 1.586 2.447 1.00 0.00 C ATOM 0 H ALA A 55 -13.256 0.700 4.606 1.00 0.00 H new ATOM 0 HA ALA A 55 -11.764 2.300 2.913 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -13.865 2.117 1.498 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.459 0.562 2.263 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -14.757 1.574 2.939 1.00 0.00 H new ATOM 826 N THR A 56 -13.877 4.149 4.546 1.00 0.00 N ATOM 827 CA THR A 56 -14.268 5.531 4.887 1.00 0.00 C ATOM 828 C THR A 56 -13.177 6.324 5.621 1.00 0.00 C ATOM 829 O THR A 56 -13.217 7.556 5.617 1.00 0.00 O ATOM 830 CB THR A 56 -15.548 5.527 5.740 1.00 0.00 C ATOM 831 OG1 THR A 56 -15.410 4.629 6.825 1.00 0.00 O ATOM 832 CG2 THR A 56 -16.766 5.084 4.928 1.00 0.00 C ATOM 0 H THR A 56 -14.237 3.465 5.211 1.00 0.00 H new ATOM 0 HA THR A 56 -14.438 6.033 3.935 1.00 0.00 H new ATOM 0 HB THR A 56 -15.696 6.548 6.093 1.00 0.00 H new ATOM 0 HG1 THR A 56 -16.230 4.636 7.362 1.00 0.00 H new ATOM 0 HG21 THR A 56 -17.651 5.094 5.565 1.00 0.00 H new ATOM 0 HG22 THR A 56 -16.913 5.767 4.091 1.00 0.00 H new ATOM 0 HG23 THR A 56 -16.603 4.075 4.549 1.00 0.00 H new ATOM 840 N ASP A 57 -12.182 5.655 6.216 1.00 0.00 N ATOM 841 CA ASP A 57 -11.023 6.280 6.869 1.00 0.00 C ATOM 842 C ASP A 57 -9.817 6.388 5.924 1.00 0.00 C ATOM 843 O ASP A 57 -9.150 7.425 5.893 1.00 0.00 O ATOM 844 CB ASP A 57 -10.602 5.463 8.100 1.00 0.00 C ATOM 845 CG ASP A 57 -11.673 5.394 9.195 1.00 0.00 C ATOM 846 OD1 ASP A 57 -12.128 6.456 9.680 1.00 0.00 O ATOM 847 OD2 ASP A 57 -12.010 4.263 9.620 1.00 0.00 O ATOM 0 H ASP A 57 -12.159 4.636 6.258 1.00 0.00 H new ATOM 0 HA ASP A 57 -11.330 7.284 7.161 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -10.354 4.450 7.784 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -9.695 5.898 8.520 1.00 0.00 H new ATOM 852 N LEU A 58 -9.544 5.331 5.148 1.00 0.00 N ATOM 853 CA LEU A 58 -8.436 5.254 4.191 1.00 0.00 C ATOM 854 C LEU A 58 -8.728 4.299 3.024 1.00 0.00 C ATOM 855 O LEU A 58 -9.529 3.371 3.144 1.00 0.00 O ATOM 856 CB LEU A 58 -7.099 4.960 4.912 1.00 0.00 C ATOM 857 CG LEU A 58 -6.763 3.570 5.488 1.00 0.00 C ATOM 858 CD1 LEU A 58 -7.829 3.007 6.423 1.00 0.00 C ATOM 859 CD2 LEU A 58 -6.438 2.525 4.425 1.00 0.00 C ATOM 0 H LEU A 58 -10.106 4.480 5.171 1.00 0.00 H new ATOM 0 HA LEU A 58 -8.330 6.235 3.727 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.303 5.208 4.210 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -7.027 5.667 5.738 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.864 3.765 6.073 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -7.516 2.027 6.784 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.963 3.680 7.270 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -8.771 2.910 5.884 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -6.212 1.574 4.907 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -7.294 2.402 3.762 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -5.575 2.852 3.845 1.00 0.00 H new ATOM 871 N THR A 59 -8.056 4.517 1.894 1.00 0.00 N ATOM 872 CA THR A 59 -8.069 3.605 0.735 1.00 0.00 C ATOM 873 C THR A 59 -6.799 2.752 0.753 1.00 0.00 C ATOM 874 O THR A 59 -5.719 3.278 1.010 1.00 0.00 O ATOM 875 CB THR A 59 -8.177 4.387 -0.586 1.00 0.00 C ATOM 876 OG1 THR A 59 -9.362 5.160 -0.599 1.00 0.00 O ATOM 877 CG2 THR A 59 -8.239 3.485 -1.820 1.00 0.00 C ATOM 0 H THR A 59 -7.476 5.343 1.749 1.00 0.00 H new ATOM 0 HA THR A 59 -8.943 2.958 0.804 1.00 0.00 H new ATOM 0 HB THR A 59 -7.278 5.001 -0.633 1.00 0.00 H new ATOM 0 HG1 THR A 59 -10.053 4.691 -1.111 1.00 0.00 H new ATOM 0 HG21 THR A 59 -8.314 4.100 -2.717 1.00 0.00 H new ATOM 0 HG22 THR A 59 -7.336 2.877 -1.872 1.00 0.00 H new ATOM 0 HG23 THR A 59 -9.111 2.835 -1.752 1.00 0.00 H new ATOM 885 N VAL A 60 -6.893 1.450 0.466 1.00 0.00 N ATOM 886 CA VAL A 60 -5.720 0.564 0.322 1.00 0.00 C ATOM 887 C VAL A 60 -5.494 0.238 -1.157 1.00 0.00 C ATOM 888 O VAL A 60 -6.426 -0.123 -1.878 1.00 0.00 O ATOM 889 CB VAL A 60 -5.852 -0.712 1.176 1.00 0.00 C ATOM 890 CG1 VAL A 60 -4.636 -1.636 1.051 1.00 0.00 C ATOM 891 CG2 VAL A 60 -6.054 -0.413 2.663 1.00 0.00 C ATOM 0 H VAL A 60 -7.784 0.974 0.326 1.00 0.00 H new ATOM 0 HA VAL A 60 -4.844 1.092 0.698 1.00 0.00 H new ATOM 0 HB VAL A 60 -6.736 -1.210 0.778 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.784 -2.518 1.674 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.516 -1.941 0.012 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -3.741 -1.106 1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -6.140 -1.350 3.214 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -5.201 0.152 3.040 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -6.964 0.172 2.796 1.00 0.00 H new ATOM 901 N ALA A 61 -4.248 0.354 -1.601 1.00 0.00 N ATOM 902 CA ALA A 61 -3.793 0.165 -2.971 1.00 0.00 C ATOM 903 C ALA A 61 -2.637 -0.846 -3.052 1.00 0.00 C ATOM 904 O ALA A 61 -1.861 -0.999 -2.103 1.00 0.00 O ATOM 905 CB ALA A 61 -3.370 1.530 -3.525 1.00 0.00 C ATOM 0 H ALA A 61 -3.482 0.598 -0.974 1.00 0.00 H new ATOM 0 HA ALA A 61 -4.605 -0.247 -3.569 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -3.024 1.415 -4.552 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -4.221 2.211 -3.503 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -2.564 1.936 -2.915 1.00 0.00 H new ATOM 911 N LYS A 62 -2.487 -1.505 -4.207 1.00 0.00 N ATOM 912 CA LYS A 62 -1.397 -2.456 -4.479 1.00 0.00 C ATOM 913 C LYS A 62 -0.585 -2.066 -5.712 1.00 0.00 C ATOM 914 O LYS A 62 -1.159 -1.808 -6.772 1.00 0.00 O ATOM 915 CB LYS A 62 -1.963 -3.875 -4.616 1.00 0.00 C ATOM 916 CG LYS A 62 -2.469 -4.410 -3.267 1.00 0.00 C ATOM 917 CD LYS A 62 -2.969 -5.856 -3.380 1.00 0.00 C ATOM 918 CE LYS A 62 -4.495 -5.993 -3.421 1.00 0.00 C ATOM 919 NZ LYS A 62 -5.077 -5.546 -4.705 1.00 0.00 N ATOM 0 H LYS A 62 -3.128 -1.392 -4.992 1.00 0.00 H new ATOM 0 HA LYS A 62 -0.710 -2.428 -3.633 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.779 -3.874 -5.338 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.192 -4.540 -5.007 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -1.666 -4.359 -2.531 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.276 -3.774 -2.903 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -2.551 -6.303 -4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -2.587 -6.428 -2.534 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -4.766 -7.034 -3.247 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -4.929 -5.411 -2.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -6.113 -5.629 -4.664 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -4.816 -4.554 -4.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -4.712 -6.140 -5.477 1.00 0.00 H new ATOM 933 N LEU A 63 0.740 -2.068 -5.567 1.00 0.00 N ATOM 934 CA LEU A 63 1.712 -1.918 -6.652 1.00 0.00 C ATOM 935 C LEU A 63 2.495 -3.228 -6.796 1.00 0.00 C ATOM 936 O LEU A 63 3.143 -3.699 -5.860 1.00 0.00 O ATOM 937 CB LEU A 63 2.609 -0.694 -6.388 1.00 0.00 C ATOM 938 CG LEU A 63 3.572 -0.276 -7.522 1.00 0.00 C ATOM 939 CD1 LEU A 63 4.714 -1.261 -7.782 1.00 0.00 C ATOM 940 CD2 LEU A 63 2.862 0.010 -8.841 1.00 0.00 C ATOM 0 H LEU A 63 1.184 -2.178 -4.655 1.00 0.00 H new ATOM 0 HA LEU A 63 1.213 -1.729 -7.603 1.00 0.00 H new ATOM 0 HB2 LEU A 63 1.965 0.155 -6.159 1.00 0.00 H new ATOM 0 HB3 LEU A 63 3.202 -0.894 -5.496 1.00 0.00 H new ATOM 0 HG LEU A 63 4.007 0.647 -7.140 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.339 -0.887 -8.593 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.316 -1.367 -6.879 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.302 -2.231 -8.059 1.00 0.00 H new ATOM 0 HD21 LEU A 63 3.596 0.298 -9.594 1.00 0.00 H new ATOM 0 HD22 LEU A 63 2.334 -0.885 -9.172 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.148 0.822 -8.701 1.00 0.00 H new ATOM 952 N ASP A 64 2.432 -3.804 -7.991 1.00 0.00 N ATOM 953 CA ASP A 64 2.956 -5.140 -8.290 1.00 0.00 C ATOM 954 C ASP A 64 4.345 -5.021 -8.935 1.00 0.00 C ATOM 955 O ASP A 64 4.472 -4.825 -10.144 1.00 0.00 O ATOM 956 CB ASP A 64 1.954 -5.928 -9.151 1.00 0.00 C ATOM 957 CG ASP A 64 0.759 -6.494 -8.361 1.00 0.00 C ATOM 958 OD1 ASP A 64 0.116 -5.775 -7.559 1.00 0.00 O ATOM 959 OD2 ASP A 64 0.389 -7.670 -8.582 1.00 0.00 O ATOM 0 H ASP A 64 2.007 -3.349 -8.799 1.00 0.00 H new ATOM 0 HA ASP A 64 3.080 -5.707 -7.367 1.00 0.00 H new ATOM 0 HB2 ASP A 64 1.579 -5.277 -9.941 1.00 0.00 H new ATOM 0 HB3 ASP A 64 2.477 -6.751 -9.638 1.00 0.00 H new ATOM 964 N VAL A 65 5.405 -5.121 -8.128 1.00 0.00 N ATOM 965 CA VAL A 65 6.795 -4.839 -8.540 1.00 0.00 C ATOM 966 C VAL A 65 7.336 -5.835 -9.575 1.00 0.00 C ATOM 967 O VAL A 65 8.282 -5.528 -10.298 1.00 0.00 O ATOM 968 CB VAL A 65 7.750 -4.741 -7.327 1.00 0.00 C ATOM 969 CG1 VAL A 65 7.203 -3.823 -6.227 1.00 0.00 C ATOM 970 CG2 VAL A 65 8.107 -6.090 -6.693 1.00 0.00 C ATOM 0 H VAL A 65 5.326 -5.405 -7.151 1.00 0.00 H new ATOM 0 HA VAL A 65 6.759 -3.865 -9.028 1.00 0.00 H new ATOM 0 HB VAL A 65 8.660 -4.318 -7.753 1.00 0.00 H new ATOM 0 HG11 VAL A 65 7.910 -3.788 -5.398 1.00 0.00 H new ATOM 0 HG12 VAL A 65 7.063 -2.819 -6.627 1.00 0.00 H new ATOM 0 HG13 VAL A 65 6.247 -4.209 -5.873 1.00 0.00 H new ATOM 0 HG21 VAL A 65 8.780 -5.929 -5.851 1.00 0.00 H new ATOM 0 HG22 VAL A 65 7.198 -6.580 -6.343 1.00 0.00 H new ATOM 0 HG23 VAL A 65 8.597 -6.722 -7.434 1.00 0.00 H new ATOM 980 N ASP A 66 6.727 -7.022 -9.667 1.00 0.00 N ATOM 981 CA ASP A 66 7.098 -8.085 -10.609 1.00 0.00 C ATOM 982 C ASP A 66 6.660 -7.781 -12.058 1.00 0.00 C ATOM 983 O ASP A 66 7.367 -8.133 -13.006 1.00 0.00 O ATOM 984 CB ASP A 66 6.488 -9.401 -10.107 1.00 0.00 C ATOM 985 CG ASP A 66 7.056 -10.620 -10.850 1.00 0.00 C ATOM 986 OD1 ASP A 66 8.134 -11.114 -10.442 1.00 0.00 O ATOM 987 OD2 ASP A 66 6.417 -11.100 -11.817 1.00 0.00 O ATOM 0 H ASP A 66 5.940 -7.278 -9.071 1.00 0.00 H new ATOM 0 HA ASP A 66 8.185 -8.159 -10.644 1.00 0.00 H new ATOM 0 HB2 ASP A 66 6.680 -9.505 -9.039 1.00 0.00 H new ATOM 0 HB3 ASP A 66 5.406 -9.371 -10.235 1.00 0.00 H new ATOM 992 N THR A 67 5.525 -7.090 -12.235 1.00 0.00 N ATOM 993 CA THR A 67 4.952 -6.706 -13.544 1.00 0.00 C ATOM 994 C THR A 67 5.091 -5.211 -13.853 1.00 0.00 C ATOM 995 O THR A 67 5.078 -4.820 -15.022 1.00 0.00 O ATOM 996 CB THR A 67 3.476 -7.118 -13.647 1.00 0.00 C ATOM 997 OG1 THR A 67 2.731 -6.553 -12.589 1.00 0.00 O ATOM 998 CG2 THR A 67 3.292 -8.635 -13.585 1.00 0.00 C ATOM 0 H THR A 67 4.958 -6.770 -11.449 1.00 0.00 H new ATOM 0 HA THR A 67 5.536 -7.247 -14.289 1.00 0.00 H new ATOM 0 HB THR A 67 3.123 -6.754 -14.612 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.792 -6.823 -12.669 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.232 -8.876 -13.662 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.831 -9.101 -14.410 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.682 -9.010 -12.639 1.00 0.00 H new ATOM 1006 N ASN A 68 5.286 -4.376 -12.826 1.00 0.00 N ATOM 1007 CA ASN A 68 5.566 -2.942 -12.905 1.00 0.00 C ATOM 1008 C ASN A 68 6.817 -2.611 -12.045 1.00 0.00 C ATOM 1009 O ASN A 68 6.684 -2.155 -10.903 1.00 0.00 O ATOM 1010 CB ASN A 68 4.271 -2.204 -12.495 1.00 0.00 C ATOM 1011 CG ASN A 68 4.348 -0.688 -12.569 1.00 0.00 C ATOM 1012 OD1 ASN A 68 3.759 -0.039 -13.420 1.00 0.00 O ATOM 1013 ND2 ASN A 68 5.042 -0.073 -11.647 1.00 0.00 N ATOM 0 H ASN A 68 5.250 -4.705 -11.861 1.00 0.00 H new ATOM 0 HA ASN A 68 5.824 -2.608 -13.910 1.00 0.00 H new ATOM 0 HB2 ASN A 68 3.458 -2.544 -13.136 1.00 0.00 H new ATOM 0 HB3 ASN A 68 4.014 -2.491 -11.475 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.090 0.946 -11.640 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.535 -0.612 -10.935 1.00 0.00 H new ATOM 1020 N PRO A 69 8.046 -2.816 -12.566 1.00 0.00 N ATOM 1021 CA PRO A 69 9.289 -2.540 -11.830 1.00 0.00 C ATOM 1022 C PRO A 69 9.637 -1.046 -11.710 1.00 0.00 C ATOM 1023 O PRO A 69 10.557 -0.679 -10.974 1.00 0.00 O ATOM 1024 CB PRO A 69 10.394 -3.297 -12.586 1.00 0.00 C ATOM 1025 CG PRO A 69 9.648 -4.291 -13.473 1.00 0.00 C ATOM 1026 CD PRO A 69 8.365 -3.534 -13.792 1.00 0.00 C ATOM 0 HA PRO A 69 9.177 -2.869 -10.797 1.00 0.00 H new ATOM 0 HB2 PRO A 69 11.004 -2.617 -13.180 1.00 0.00 H new ATOM 0 HB3 PRO A 69 11.066 -3.808 -11.897 1.00 0.00 H new ATOM 0 HG2 PRO A 69 10.211 -4.536 -14.373 1.00 0.00 H new ATOM 0 HG3 PRO A 69 9.450 -5.230 -12.956 1.00 0.00 H new ATOM 0 HD2 PRO A 69 8.507 -2.848 -14.627 1.00 0.00 H new ATOM 0 HD3 PRO A 69 7.562 -4.216 -14.072 1.00 0.00 H new ATOM 1034 N GLU A 70 8.943 -0.175 -12.452 1.00 0.00 N ATOM 1035 CA GLU A 70 9.267 1.254 -12.566 1.00 0.00 C ATOM 1036 C GLU A 70 8.880 2.052 -11.315 1.00 0.00 C ATOM 1037 O GLU A 70 9.660 2.881 -10.854 1.00 0.00 O ATOM 1038 CB GLU A 70 8.596 1.846 -13.817 1.00 0.00 C ATOM 1039 CG GLU A 70 9.137 1.233 -15.112 1.00 0.00 C ATOM 1040 CD GLU A 70 8.555 1.935 -16.354 1.00 0.00 C ATOM 1041 OE1 GLU A 70 7.464 1.536 -16.827 1.00 0.00 O ATOM 1042 OE2 GLU A 70 9.196 2.878 -16.879 1.00 0.00 O ATOM 0 H GLU A 70 8.127 -0.447 -13.000 1.00 0.00 H new ATOM 0 HA GLU A 70 10.350 1.334 -12.661 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.520 1.681 -13.762 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.753 2.924 -13.835 1.00 0.00 H new ATOM 0 HG2 GLU A 70 10.224 1.309 -15.126 1.00 0.00 H new ATOM 0 HG3 GLU A 70 8.891 0.172 -15.144 1.00 0.00 H new ATOM 1049 N THR A 71 7.727 1.776 -10.701 1.00 0.00 N ATOM 1050 CA THR A 71 7.275 2.511 -9.501 1.00 0.00 C ATOM 1051 C THR A 71 8.061 2.123 -8.247 1.00 0.00 C ATOM 1052 O THR A 71 8.284 2.958 -7.371 1.00 0.00 O ATOM 1053 CB THR A 71 5.773 2.382 -9.276 1.00 0.00 C ATOM 1054 OG1 THR A 71 5.103 2.517 -10.500 1.00 0.00 O ATOM 1055 CG2 THR A 71 5.170 3.445 -8.367 1.00 0.00 C ATOM 0 H THR A 71 7.083 1.048 -11.011 1.00 0.00 H new ATOM 0 HA THR A 71 7.484 3.563 -9.697 1.00 0.00 H new ATOM 0 HB THR A 71 5.649 1.407 -8.806 1.00 0.00 H new ATOM 0 HG1 THR A 71 5.332 3.380 -10.905 1.00 0.00 H new ATOM 0 HG21 THR A 71 4.099 3.272 -8.266 1.00 0.00 H new ATOM 0 HG22 THR A 71 5.640 3.393 -7.385 1.00 0.00 H new ATOM 0 HG23 THR A 71 5.339 4.431 -8.799 1.00 0.00 H new ATOM 1063 N ALA A 72 8.554 0.881 -8.176 1.00 0.00 N ATOM 1064 CA ALA A 72 9.424 0.421 -7.093 1.00 0.00 C ATOM 1065 C ALA A 72 10.732 1.234 -7.019 1.00 0.00 C ATOM 1066 O ALA A 72 11.157 1.623 -5.931 1.00 0.00 O ATOM 1067 CB ALA A 72 9.700 -1.073 -7.298 1.00 0.00 C ATOM 0 H ALA A 72 8.358 0.164 -8.874 1.00 0.00 H new ATOM 0 HA ALA A 72 8.922 0.575 -6.138 1.00 0.00 H new ATOM 0 HB1 ALA A 72 10.348 -1.436 -6.500 1.00 0.00 H new ATOM 0 HB2 ALA A 72 8.759 -1.623 -7.280 1.00 0.00 H new ATOM 0 HB3 ALA A 72 10.190 -1.224 -8.260 1.00 0.00 H new ATOM 1073 N ARG A 73 11.341 1.555 -8.172 1.00 0.00 N ATOM 1074 CA ARG A 73 12.498 2.468 -8.263 1.00 0.00 C ATOM 1075 C ARG A 73 12.117 3.958 -8.255 1.00 0.00 C ATOM 1076 O ARG A 73 12.917 4.772 -7.799 1.00 0.00 O ATOM 1077 CB ARG A 73 13.427 2.046 -9.417 1.00 0.00 C ATOM 1078 CG ARG A 73 12.813 2.180 -10.819 1.00 0.00 C ATOM 1079 CD ARG A 73 13.595 1.393 -11.875 1.00 0.00 C ATOM 1080 NE ARG A 73 13.345 -0.056 -11.731 1.00 0.00 N ATOM 1081 CZ ARG A 73 14.123 -1.049 -12.120 1.00 0.00 C ATOM 1082 NH1 ARG A 73 15.228 -0.850 -12.781 1.00 0.00 N ATOM 1083 NH2 ARG A 73 13.796 -2.277 -11.842 1.00 0.00 N ATOM 0 H ARG A 73 11.044 1.187 -9.076 1.00 0.00 H new ATOM 0 HA ARG A 73 13.075 2.365 -7.344 1.00 0.00 H new ATOM 0 HB2 ARG A 73 14.334 2.649 -9.374 1.00 0.00 H new ATOM 0 HB3 ARG A 73 13.726 1.009 -9.264 1.00 0.00 H new ATOM 0 HG2 ARG A 73 11.782 1.828 -10.797 1.00 0.00 H new ATOM 0 HG3 ARG A 73 12.784 3.232 -11.101 1.00 0.00 H new ATOM 0 HD2 ARG A 73 13.302 1.721 -12.872 1.00 0.00 H new ATOM 0 HD3 ARG A 73 14.661 1.596 -11.773 1.00 0.00 H new ATOM 0 HE ARG A 73 12.470 -0.320 -11.279 1.00 0.00 H new ATOM 0 HH11 ARG A 73 15.518 0.099 -13.015 1.00 0.00 H new ATOM 0 HH12 ARG A 73 15.803 -1.644 -13.064 1.00 0.00 H new ATOM 0 HH21 ARG A 73 12.939 -2.472 -11.324 1.00 0.00 H new ATOM 0 HH22 ARG A 73 14.396 -3.045 -12.142 1.00 0.00 H new ATOM 1097 N ASN A 74 10.884 4.312 -8.638 1.00 0.00 N ATOM 1098 CA ASN A 74 10.326 5.671 -8.518 1.00 0.00 C ATOM 1099 C ASN A 74 10.309 6.151 -7.048 1.00 0.00 C ATOM 1100 O ASN A 74 10.746 7.262 -6.744 1.00 0.00 O ATOM 1101 CB ASN A 74 8.902 5.684 -9.123 1.00 0.00 C ATOM 1102 CG ASN A 74 8.416 7.044 -9.601 1.00 0.00 C ATOM 1103 OD1 ASN A 74 8.928 8.095 -9.242 1.00 0.00 O ATOM 1104 ND2 ASN A 74 7.402 7.067 -10.436 1.00 0.00 N ATOM 0 H ASN A 74 10.229 3.648 -9.050 1.00 0.00 H new ATOM 0 HA ASN A 74 10.962 6.365 -9.068 1.00 0.00 H new ATOM 0 HB2 ASN A 74 8.875 4.990 -9.963 1.00 0.00 H new ATOM 0 HB3 ASN A 74 8.203 5.308 -8.376 1.00 0.00 H new ATOM 0 HD21 ASN A 74 7.046 7.958 -10.781 1.00 0.00 H new ATOM 0 HD22 ASN A 74 6.971 6.194 -10.739 1.00 0.00 H new ATOM 1111 N PHE A 75 9.873 5.277 -6.129 1.00 0.00 N ATOM 1112 CA PHE A 75 9.861 5.511 -4.675 1.00 0.00 C ATOM 1113 C PHE A 75 11.065 4.911 -3.921 1.00 0.00 C ATOM 1114 O PHE A 75 11.111 4.975 -2.691 1.00 0.00 O ATOM 1115 CB PHE A 75 8.504 5.067 -4.100 1.00 0.00 C ATOM 1116 CG PHE A 75 7.359 5.973 -4.513 1.00 0.00 C ATOM 1117 CD1 PHE A 75 7.083 7.142 -3.777 1.00 0.00 C ATOM 1118 CD2 PHE A 75 6.590 5.672 -5.651 1.00 0.00 C ATOM 1119 CE1 PHE A 75 6.046 8.004 -4.181 1.00 0.00 C ATOM 1120 CE2 PHE A 75 5.549 6.528 -6.052 1.00 0.00 C ATOM 1121 CZ PHE A 75 5.280 7.697 -5.319 1.00 0.00 C ATOM 0 H PHE A 75 9.508 4.359 -6.384 1.00 0.00 H new ATOM 0 HA PHE A 75 9.980 6.583 -4.515 1.00 0.00 H new ATOM 0 HB2 PHE A 75 8.292 4.050 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 75 8.567 5.044 -3.012 1.00 0.00 H new ATOM 0 HD1 PHE A 75 7.668 7.377 -2.901 1.00 0.00 H new ATOM 0 HD2 PHE A 75 6.800 4.779 -6.220 1.00 0.00 H new ATOM 0 HE1 PHE A 75 5.839 8.901 -3.617 1.00 0.00 H new ATOM 0 HE2 PHE A 75 4.957 6.288 -6.922 1.00 0.00 H new ATOM 0 HZ PHE A 75 4.485 8.359 -5.630 1.00 0.00 H new ATOM 1131 N GLN A 76 12.044 4.332 -4.625 1.00 0.00 N ATOM 1132 CA GLN A 76 13.242 3.689 -4.061 1.00 0.00 C ATOM 1133 C GLN A 76 12.909 2.699 -2.921 1.00 0.00 C ATOM 1134 O GLN A 76 13.281 2.890 -1.759 1.00 0.00 O ATOM 1135 CB GLN A 76 14.284 4.770 -3.702 1.00 0.00 C ATOM 1136 CG GLN A 76 15.700 4.220 -3.451 1.00 0.00 C ATOM 1137 CD GLN A 76 16.315 3.582 -4.696 1.00 0.00 C ATOM 1138 OE1 GLN A 76 16.290 2.373 -4.886 1.00 0.00 O ATOM 1139 NE2 GLN A 76 16.873 4.361 -5.601 1.00 0.00 N ATOM 0 H GLN A 76 12.025 4.296 -5.644 1.00 0.00 H new ATOM 0 HA GLN A 76 13.698 3.049 -4.817 1.00 0.00 H new ATOM 0 HB2 GLN A 76 14.327 5.500 -4.510 1.00 0.00 H new ATOM 0 HB3 GLN A 76 13.949 5.301 -2.811 1.00 0.00 H new ATOM 0 HG2 GLN A 76 16.344 5.029 -3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 76 15.662 3.481 -2.651 1.00 0.00 H new ATOM 0 HE21 GLN A 76 16.902 5.370 -5.457 1.00 0.00 H new ATOM 0 HE22 GLN A 76 17.276 3.954 -6.445 1.00 0.00 H new ATOM 1148 N VAL A 77 12.133 1.663 -3.244 1.00 0.00 N ATOM 1149 CA VAL A 77 11.744 0.568 -2.339 1.00 0.00 C ATOM 1150 C VAL A 77 12.954 -0.300 -1.986 1.00 0.00 C ATOM 1151 O VAL A 77 13.740 -0.684 -2.855 1.00 0.00 O ATOM 1152 CB VAL A 77 10.611 -0.274 -2.966 1.00 0.00 C ATOM 1153 CG1 VAL A 77 10.247 -1.506 -2.135 1.00 0.00 C ATOM 1154 CG2 VAL A 77 9.339 0.575 -3.097 1.00 0.00 C ATOM 0 H VAL A 77 11.740 1.555 -4.179 1.00 0.00 H new ATOM 0 HA VAL A 77 11.367 1.001 -1.412 1.00 0.00 H new ATOM 0 HB VAL A 77 10.985 -0.603 -3.936 1.00 0.00 H new ATOM 0 HG11 VAL A 77 9.445 -2.054 -2.629 1.00 0.00 H new ATOM 0 HG12 VAL A 77 11.121 -2.150 -2.037 1.00 0.00 H new ATOM 0 HG13 VAL A 77 9.915 -1.192 -1.145 1.00 0.00 H new ATOM 0 HG21 VAL A 77 8.545 -0.026 -3.540 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.027 0.918 -2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 77 9.540 1.436 -3.734 1.00 0.00 H new ATOM 1164 N VAL A 78 13.088 -0.611 -0.693 1.00 0.00 N ATOM 1165 CA VAL A 78 14.262 -1.290 -0.106 1.00 0.00 C ATOM 1166 C VAL A 78 13.992 -2.722 0.383 1.00 0.00 C ATOM 1167 O VAL A 78 14.939 -3.466 0.642 1.00 0.00 O ATOM 1168 CB VAL A 78 14.877 -0.438 1.023 1.00 0.00 C ATOM 1169 CG1 VAL A 78 15.400 0.903 0.495 1.00 0.00 C ATOM 1170 CG2 VAL A 78 13.900 -0.168 2.177 1.00 0.00 C ATOM 0 H VAL A 78 12.369 -0.395 -0.003 1.00 0.00 H new ATOM 0 HA VAL A 78 14.977 -1.390 -0.923 1.00 0.00 H new ATOM 0 HB VAL A 78 15.705 -1.032 1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 78 15.826 1.477 1.318 1.00 0.00 H new ATOM 0 HG12 VAL A 78 16.167 0.723 -0.258 1.00 0.00 H new ATOM 0 HG13 VAL A 78 14.579 1.464 0.049 1.00 0.00 H new ATOM 0 HG21 VAL A 78 14.394 0.436 2.938 1.00 0.00 H new ATOM 0 HG22 VAL A 78 13.029 0.367 1.799 1.00 0.00 H new ATOM 0 HG23 VAL A 78 13.583 -1.115 2.614 1.00 0.00 H new ATOM 1180 N SER A 79 12.722 -3.124 0.513 1.00 0.00 N ATOM 1181 CA SER A 79 12.301 -4.465 0.949 1.00 0.00 C ATOM 1182 C SER A 79 10.997 -4.906 0.270 1.00 0.00 C ATOM 1183 O SER A 79 10.293 -4.096 -0.337 1.00 0.00 O ATOM 1184 CB SER A 79 12.140 -4.479 2.472 1.00 0.00 C ATOM 1185 OG SER A 79 12.085 -5.816 2.948 1.00 0.00 O ATOM 0 H SER A 79 11.934 -2.508 0.312 1.00 0.00 H new ATOM 0 HA SER A 79 13.073 -5.175 0.654 1.00 0.00 H new ATOM 0 HB2 SER A 79 12.974 -3.954 2.938 1.00 0.00 H new ATOM 0 HB3 SER A 79 11.231 -3.947 2.754 1.00 0.00 H new ATOM 0 HG SER A 79 11.984 -5.812 3.923 1.00 0.00 H new ATOM 1191 N ILE A 80 10.646 -6.186 0.381 1.00 0.00 N ATOM 1192 CA ILE A 80 9.374 -6.749 -0.093 1.00 0.00 C ATOM 1193 C ILE A 80 8.789 -7.640 1.026 1.00 0.00 C ATOM 1194 O ILE A 80 9.454 -8.600 1.431 1.00 0.00 O ATOM 1195 CB ILE A 80 9.577 -7.517 -1.423 1.00 0.00 C ATOM 1196 CG1 ILE A 80 10.026 -6.576 -2.567 1.00 0.00 C ATOM 1197 CG2 ILE A 80 8.283 -8.252 -1.819 1.00 0.00 C ATOM 1198 CD1 ILE A 80 10.409 -7.302 -3.865 1.00 0.00 C ATOM 0 H ILE A 80 11.252 -6.883 0.814 1.00 0.00 H new ATOM 0 HA ILE A 80 8.661 -5.954 -0.310 1.00 0.00 H new ATOM 0 HB ILE A 80 10.371 -8.247 -1.263 1.00 0.00 H new ATOM 0 HG12 ILE A 80 9.221 -5.873 -2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 80 10.879 -5.990 -2.226 1.00 0.00 H new ATOM 0 HG21 ILE A 80 8.441 -8.787 -2.755 1.00 0.00 H new ATOM 0 HG22 ILE A 80 8.013 -8.961 -1.037 1.00 0.00 H new ATOM 0 HG23 ILE A 80 7.478 -7.528 -1.946 1.00 0.00 H new ATOM 0 HD11 ILE A 80 10.711 -6.571 -4.615 1.00 0.00 H new ATOM 0 HD12 ILE A 80 11.236 -7.985 -3.670 1.00 0.00 H new ATOM 0 HD13 ILE A 80 9.552 -7.866 -4.233 1.00 0.00 H new ATOM 1210 N PRO A 81 7.562 -7.375 1.525 1.00 0.00 N ATOM 1211 CA PRO A 81 6.708 -6.227 1.210 1.00 0.00 C ATOM 1212 C PRO A 81 7.250 -4.909 1.793 1.00 0.00 C ATOM 1213 O PRO A 81 7.973 -4.905 2.796 1.00 0.00 O ATOM 1214 CB PRO A 81 5.346 -6.567 1.824 1.00 0.00 C ATOM 1215 CG PRO A 81 5.721 -7.398 3.047 1.00 0.00 C ATOM 1216 CD PRO A 81 6.930 -8.190 2.552 1.00 0.00 C ATOM 0 HA PRO A 81 6.658 -6.065 0.133 1.00 0.00 H new ATOM 0 HB2 PRO A 81 4.792 -5.670 2.100 1.00 0.00 H new ATOM 0 HB3 PRO A 81 4.719 -7.128 1.131 1.00 0.00 H new ATOM 0 HG2 PRO A 81 5.970 -6.771 3.903 1.00 0.00 H new ATOM 0 HG3 PRO A 81 4.907 -8.053 3.358 1.00 0.00 H new ATOM 0 HD2 PRO A 81 7.623 -8.392 3.369 1.00 0.00 H new ATOM 0 HD3 PRO A 81 6.623 -9.155 2.148 1.00 0.00 H new ATOM 1224 N THR A 82 6.839 -3.789 1.198 1.00 0.00 N ATOM 1225 CA THR A 82 6.995 -2.440 1.772 1.00 0.00 C ATOM 1226 C THR A 82 5.659 -1.702 1.714 1.00 0.00 C ATOM 1227 O THR A 82 5.108 -1.479 0.635 1.00 0.00 O ATOM 1228 CB THR A 82 8.092 -1.638 1.057 1.00 0.00 C ATOM 1229 OG1 THR A 82 9.355 -2.196 1.323 1.00 0.00 O ATOM 1230 CG2 THR A 82 8.195 -0.198 1.550 1.00 0.00 C ATOM 0 H THR A 82 6.379 -3.787 0.287 1.00 0.00 H new ATOM 0 HA THR A 82 7.305 -2.545 2.812 1.00 0.00 H new ATOM 0 HB THR A 82 7.821 -1.665 0.002 1.00 0.00 H new ATOM 0 HG1 THR A 82 9.642 -2.736 0.557 1.00 0.00 H new ATOM 0 HG21 THR A 82 8.988 0.317 1.007 1.00 0.00 H new ATOM 0 HG22 THR A 82 7.247 0.313 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 82 8.424 -0.194 2.616 1.00 0.00 H new ATOM 1238 N LEU A 83 5.159 -1.294 2.881 1.00 0.00 N ATOM 1239 CA LEU A 83 3.892 -0.591 3.065 1.00 0.00 C ATOM 1240 C LEU A 83 4.177 0.896 3.312 1.00 0.00 C ATOM 1241 O LEU A 83 4.958 1.237 4.200 1.00 0.00 O ATOM 1242 CB LEU A 83 3.094 -1.216 4.231 1.00 0.00 C ATOM 1243 CG LEU A 83 2.569 -2.651 3.997 1.00 0.00 C ATOM 1244 CD1 LEU A 83 3.627 -3.740 4.214 1.00 0.00 C ATOM 1245 CD2 LEU A 83 1.433 -2.958 4.977 1.00 0.00 C ATOM 0 H LEU A 83 5.649 -1.452 3.762 1.00 0.00 H new ATOM 0 HA LEU A 83 3.282 -0.686 2.167 1.00 0.00 H new ATOM 0 HB2 LEU A 83 3.728 -1.222 5.118 1.00 0.00 H new ATOM 0 HB3 LEU A 83 2.244 -0.570 4.451 1.00 0.00 H new ATOM 0 HG LEU A 83 2.248 -2.671 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 83 3.184 -4.719 4.031 1.00 0.00 H new ATOM 0 HD12 LEU A 83 4.457 -3.583 3.525 1.00 0.00 H new ATOM 0 HD13 LEU A 83 3.993 -3.693 5.240 1.00 0.00 H new ATOM 0 HD21 LEU A 83 1.068 -3.971 4.806 1.00 0.00 H new ATOM 0 HD22 LEU A 83 1.801 -2.873 5.999 1.00 0.00 H new ATOM 0 HD23 LEU A 83 0.619 -2.249 4.824 1.00 0.00 H new ATOM 1257 N ILE A 84 3.552 1.786 2.541 1.00 0.00 N ATOM 1258 CA ILE A 84 3.722 3.242 2.652 1.00 0.00 C ATOM 1259 C ILE A 84 2.360 3.933 2.785 1.00 0.00 C ATOM 1260 O ILE A 84 1.419 3.626 2.052 1.00 0.00 O ATOM 1261 CB ILE A 84 4.622 3.767 1.506 1.00 0.00 C ATOM 1262 CG1 ILE A 84 5.167 5.193 1.742 1.00 0.00 C ATOM 1263 CG2 ILE A 84 4.003 3.611 0.111 1.00 0.00 C ATOM 1264 CD1 ILE A 84 4.270 6.369 1.336 1.00 0.00 C ATOM 0 H ILE A 84 2.899 1.514 1.806 1.00 0.00 H new ATOM 0 HA ILE A 84 4.254 3.495 3.569 1.00 0.00 H new ATOM 0 HB ILE A 84 5.488 3.106 1.529 1.00 0.00 H new ATOM 0 HG12 ILE A 84 5.396 5.295 2.803 1.00 0.00 H new ATOM 0 HG13 ILE A 84 6.109 5.287 1.203 1.00 0.00 H new ATOM 0 HG21 ILE A 84 4.692 4.001 -0.638 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.811 2.556 -0.086 1.00 0.00 H new ATOM 0 HG23 ILE A 84 3.065 4.165 0.065 1.00 0.00 H new ATOM 0 HD11 ILE A 84 4.778 7.308 1.558 1.00 0.00 H new ATOM 0 HD12 ILE A 84 4.059 6.314 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 84 3.334 6.322 1.893 1.00 0.00 H new ATOM 1276 N LEU A 85 2.248 4.858 3.740 1.00 0.00 N ATOM 1277 CA LEU A 85 1.043 5.640 4.007 1.00 0.00 C ATOM 1278 C LEU A 85 1.200 7.069 3.474 1.00 0.00 C ATOM 1279 O LEU A 85 2.061 7.828 3.926 1.00 0.00 O ATOM 1280 CB LEU A 85 0.739 5.584 5.516 1.00 0.00 C ATOM 1281 CG LEU A 85 -0.521 6.353 5.959 1.00 0.00 C ATOM 1282 CD1 LEU A 85 -1.797 5.905 5.241 1.00 0.00 C ATOM 1283 CD2 LEU A 85 -0.736 6.140 7.456 1.00 0.00 C ATOM 0 H LEU A 85 3.018 5.089 4.367 1.00 0.00 H new ATOM 0 HA LEU A 85 0.187 5.217 3.480 1.00 0.00 H new ATOM 0 HB2 LEU A 85 0.631 4.540 5.810 1.00 0.00 H new ATOM 0 HB3 LEU A 85 1.597 5.981 6.059 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.345 7.399 5.708 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -2.643 6.489 5.603 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -1.683 6.058 4.168 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.975 4.848 5.440 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -1.626 6.681 7.776 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -0.866 5.077 7.657 1.00 0.00 H new ATOM 0 HD23 LEU A 85 0.131 6.510 8.004 1.00 0.00 H new ATOM 1295 N PHE A 86 0.335 7.433 2.532 1.00 0.00 N ATOM 1296 CA PHE A 86 0.118 8.798 2.058 1.00 0.00 C ATOM 1297 C PHE A 86 -1.040 9.453 2.823 1.00 0.00 C ATOM 1298 O PHE A 86 -1.999 8.783 3.213 1.00 0.00 O ATOM 1299 CB PHE A 86 -0.185 8.801 0.548 1.00 0.00 C ATOM 1300 CG PHE A 86 0.926 8.305 -0.360 1.00 0.00 C ATOM 1301 CD1 PHE A 86 1.101 6.926 -0.582 1.00 0.00 C ATOM 1302 CD2 PHE A 86 1.754 9.225 -1.032 1.00 0.00 C ATOM 1303 CE1 PHE A 86 2.099 6.474 -1.465 1.00 0.00 C ATOM 1304 CE2 PHE A 86 2.768 8.771 -1.894 1.00 0.00 C ATOM 1305 CZ PHE A 86 2.938 7.395 -2.115 1.00 0.00 C ATOM 0 H PHE A 86 -0.261 6.755 2.057 1.00 0.00 H new ATOM 0 HA PHE A 86 1.028 9.371 2.237 1.00 0.00 H new ATOM 0 HB2 PHE A 86 -1.069 8.187 0.375 1.00 0.00 H new ATOM 0 HB3 PHE A 86 -0.441 9.818 0.252 1.00 0.00 H new ATOM 0 HD1 PHE A 86 0.468 6.214 -0.074 1.00 0.00 H new ATOM 0 HD2 PHE A 86 1.609 10.285 -0.884 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.221 5.416 -1.644 1.00 0.00 H new ATOM 0 HE2 PHE A 86 3.416 9.481 -2.386 1.00 0.00 H new ATOM 0 HZ PHE A 86 3.711 7.045 -2.783 1.00 0.00 H new ATOM 1315 N LYS A 87 -0.996 10.779 2.957 1.00 0.00 N ATOM 1316 CA LYS A 87 -2.100 11.637 3.399 1.00 0.00 C ATOM 1317 C LYS A 87 -2.342 12.713 2.342 1.00 0.00 C ATOM 1318 O LYS A 87 -1.413 13.430 1.976 1.00 0.00 O ATOM 1319 CB LYS A 87 -1.756 12.240 4.769 1.00 0.00 C ATOM 1320 CG LYS A 87 -2.929 13.048 5.335 1.00 0.00 C ATOM 1321 CD LYS A 87 -2.524 13.852 6.575 1.00 0.00 C ATOM 1322 CE LYS A 87 -3.763 14.393 7.299 1.00 0.00 C ATOM 1323 NZ LYS A 87 -4.440 15.466 6.515 1.00 0.00 N ATOM 0 H LYS A 87 -0.150 11.311 2.751 1.00 0.00 H new ATOM 0 HA LYS A 87 -3.019 11.062 3.513 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -1.493 11.442 5.464 1.00 0.00 H new ATOM 0 HB3 LYS A 87 -0.881 12.883 4.676 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -3.305 13.727 4.569 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -3.745 12.372 5.591 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -1.948 13.221 7.252 1.00 0.00 H new ATOM 0 HD3 LYS A 87 -1.877 14.679 6.283 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -4.464 13.578 7.479 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -3.472 14.784 8.274 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -5.358 15.687 6.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -3.846 16.319 6.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -4.589 15.141 5.538 1.00 0.00 H new ATOM 1337 N ASP A 88 -3.572 12.807 1.840 1.00 0.00 N ATOM 1338 CA ASP A 88 -3.986 13.794 0.825 1.00 0.00 C ATOM 1339 C ASP A 88 -3.045 13.845 -0.409 1.00 0.00 C ATOM 1340 O ASP A 88 -2.749 14.911 -0.956 1.00 0.00 O ATOM 1341 CB ASP A 88 -4.238 15.162 1.491 1.00 0.00 C ATOM 1342 CG ASP A 88 -5.340 15.100 2.561 1.00 0.00 C ATOM 1343 OD1 ASP A 88 -6.504 14.808 2.199 1.00 0.00 O ATOM 1344 OD2 ASP A 88 -5.051 15.346 3.759 1.00 0.00 O ATOM 0 H ASP A 88 -4.330 12.189 2.129 1.00 0.00 H new ATOM 0 HA ASP A 88 -4.934 13.465 0.399 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -3.313 15.517 1.946 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -4.517 15.888 0.728 1.00 0.00 H new ATOM 1349 N GLY A 89 -2.520 12.680 -0.821 1.00 0.00 N ATOM 1350 CA GLY A 89 -1.592 12.525 -1.945 1.00 0.00 C ATOM 1351 C GLY A 89 -0.137 12.933 -1.680 1.00 0.00 C ATOM 1352 O GLY A 89 0.604 13.149 -2.639 1.00 0.00 O ATOM 0 H GLY A 89 -2.739 11.794 -0.365 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -1.604 11.481 -2.258 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -1.966 13.114 -2.783 1.00 0.00 H new ATOM 1356 N GLN A 90 0.299 13.043 -0.419 1.00 0.00 N ATOM 1357 CA GLN A 90 1.706 13.245 -0.030 1.00 0.00 C ATOM 1358 C GLN A 90 2.170 12.179 0.987 1.00 0.00 C ATOM 1359 O GLN A 90 1.389 11.808 1.866 1.00 0.00 O ATOM 1360 CB GLN A 90 1.903 14.665 0.530 1.00 0.00 C ATOM 1361 CG GLN A 90 1.675 15.795 -0.492 1.00 0.00 C ATOM 1362 CD GLN A 90 2.770 15.875 -1.556 1.00 0.00 C ATOM 1363 OE1 GLN A 90 3.743 16.609 -1.430 1.00 0.00 O ATOM 1364 NE2 GLN A 90 2.676 15.129 -2.637 1.00 0.00 N ATOM 0 H GLN A 90 -0.331 12.993 0.382 1.00 0.00 H new ATOM 0 HA GLN A 90 2.324 13.133 -0.921 1.00 0.00 H new ATOM 0 HB2 GLN A 90 1.222 14.808 1.369 1.00 0.00 H new ATOM 0 HB3 GLN A 90 2.916 14.749 0.924 1.00 0.00 H new ATOM 0 HG2 GLN A 90 0.712 15.645 -0.981 1.00 0.00 H new ATOM 0 HG3 GLN A 90 1.620 16.747 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 90 1.874 14.511 -2.762 1.00 0.00 H new ATOM 0 HE22 GLN A 90 3.405 15.169 -3.349 1.00 0.00 H new ATOM 1373 N PRO A 91 3.406 11.648 0.894 1.00 0.00 N ATOM 1374 CA PRO A 91 3.872 10.547 1.745 1.00 0.00 C ATOM 1375 C PRO A 91 4.123 10.990 3.198 1.00 0.00 C ATOM 1376 O PRO A 91 4.671 12.069 3.443 1.00 0.00 O ATOM 1377 CB PRO A 91 5.146 10.031 1.067 1.00 0.00 C ATOM 1378 CG PRO A 91 5.696 11.265 0.354 1.00 0.00 C ATOM 1379 CD PRO A 91 4.429 11.997 -0.084 1.00 0.00 C ATOM 0 HA PRO A 91 3.118 9.765 1.833 1.00 0.00 H new ATOM 0 HB2 PRO A 91 5.856 9.638 1.794 1.00 0.00 H new ATOM 0 HB3 PRO A 91 4.929 9.225 0.365 1.00 0.00 H new ATOM 0 HG2 PRO A 91 6.307 11.877 1.018 1.00 0.00 H new ATOM 0 HG3 PRO A 91 6.322 10.995 -0.497 1.00 0.00 H new ATOM 0 HD2 PRO A 91 4.591 13.075 -0.112 1.00 0.00 H new ATOM 0 HD3 PRO A 91 4.130 11.693 -1.087 1.00 0.00 H new ATOM 1387 N VAL A 92 3.749 10.142 4.167 1.00 0.00 N ATOM 1388 CA VAL A 92 3.905 10.397 5.617 1.00 0.00 C ATOM 1389 C VAL A 92 4.890 9.429 6.283 1.00 0.00 C ATOM 1390 O VAL A 92 5.766 9.863 7.034 1.00 0.00 O ATOM 1391 CB VAL A 92 2.543 10.331 6.345 1.00 0.00 C ATOM 1392 CG1 VAL A 92 2.655 10.745 7.819 1.00 0.00 C ATOM 1393 CG2 VAL A 92 1.506 11.254 5.699 1.00 0.00 C ATOM 0 H VAL A 92 3.320 9.239 3.966 1.00 0.00 H new ATOM 0 HA VAL A 92 4.314 11.403 5.705 1.00 0.00 H new ATOM 0 HB VAL A 92 2.228 9.290 6.268 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.674 10.683 8.290 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.347 10.078 8.333 1.00 0.00 H new ATOM 0 HG13 VAL A 92 3.024 11.769 7.882 1.00 0.00 H new ATOM 0 HG21 VAL A 92 0.563 11.178 6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 92 1.863 12.283 5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.353 10.959 4.661 1.00 0.00 H new ATOM 1403 N LYS A 93 4.745 8.121 6.028 1.00 0.00 N ATOM 1404 CA LYS A 93 5.419 7.043 6.779 1.00 0.00 C ATOM 1405 C LYS A 93 5.586 5.786 5.918 1.00 0.00 C ATOM 1406 O LYS A 93 4.665 5.436 5.182 1.00 0.00 O ATOM 1407 CB LYS A 93 4.560 6.736 8.021 1.00 0.00 C ATOM 1408 CG LYS A 93 5.236 5.796 9.032 1.00 0.00 C ATOM 1409 CD LYS A 93 4.242 5.300 10.091 1.00 0.00 C ATOM 1410 CE LYS A 93 3.576 6.392 10.943 1.00 0.00 C ATOM 1411 NZ LYS A 93 4.539 7.103 11.824 1.00 0.00 N ATOM 0 H LYS A 93 4.145 7.772 5.280 1.00 0.00 H new ATOM 0 HA LYS A 93 6.419 7.363 7.071 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.314 7.673 8.520 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.619 6.290 7.698 1.00 0.00 H new ATOM 0 HG2 LYS A 93 5.665 4.943 8.507 1.00 0.00 H new ATOM 0 HG3 LYS A 93 6.060 6.317 9.520 1.00 0.00 H new ATOM 0 HD2 LYS A 93 3.461 4.729 9.590 1.00 0.00 H new ATOM 0 HD3 LYS A 93 4.762 4.612 10.757 1.00 0.00 H new ATOM 0 HE2 LYS A 93 3.091 7.114 10.286 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.794 5.942 11.555 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 4.018 7.705 12.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.105 6.408 12.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 5.169 7.694 11.244 1.00 0.00 H new ATOM 1425 N ARG A 94 6.727 5.091 6.035 1.00 0.00 N ATOM 1426 CA ARG A 94 7.011 3.812 5.354 1.00 0.00 C ATOM 1427 C ARG A 94 7.515 2.734 6.321 1.00 0.00 C ATOM 1428 O ARG A 94 8.366 3.015 7.165 1.00 0.00 O ATOM 1429 CB ARG A 94 7.983 4.065 4.187 1.00 0.00 C ATOM 1430 CG ARG A 94 8.049 2.864 3.229 1.00 0.00 C ATOM 1431 CD ARG A 94 8.629 3.244 1.861 1.00 0.00 C ATOM 1432 NE ARG A 94 10.104 3.255 1.840 1.00 0.00 N ATOM 1433 CZ ARG A 94 10.848 3.398 0.756 1.00 0.00 C ATOM 1434 NH1 ARG A 94 10.314 3.582 -0.415 1.00 0.00 N ATOM 1435 NH2 ARG A 94 12.145 3.355 0.813 1.00 0.00 N ATOM 0 H ARG A 94 7.500 5.408 6.620 1.00 0.00 H new ATOM 0 HA ARG A 94 6.080 3.415 4.949 1.00 0.00 H new ATOM 0 HB2 ARG A 94 7.668 4.952 3.637 1.00 0.00 H new ATOM 0 HB3 ARG A 94 8.978 4.271 4.581 1.00 0.00 H new ATOM 0 HG2 ARG A 94 8.660 2.079 3.675 1.00 0.00 H new ATOM 0 HG3 ARG A 94 7.048 2.453 3.096 1.00 0.00 H new ATOM 0 HD2 ARG A 94 8.266 2.541 1.111 1.00 0.00 H new ATOM 0 HD3 ARG A 94 8.260 4.230 1.578 1.00 0.00 H new ATOM 0 HE ARG A 94 10.588 3.144 2.731 1.00 0.00 H new ATOM 0 HH11 ARG A 94 9.299 3.619 -0.513 1.00 0.00 H new ATOM 0 HH12 ARG A 94 10.910 3.690 -1.236 1.00 0.00 H new ATOM 0 HH21 ARG A 94 12.612 3.208 1.708 1.00 0.00 H new ATOM 0 HH22 ARG A 94 12.697 3.468 -0.037 1.00 0.00 H new ATOM 1449 N ILE A 95 7.000 1.512 6.178 1.00 0.00 N ATOM 1450 CA ILE A 95 7.292 0.326 7.001 1.00 0.00 C ATOM 1451 C ILE A 95 7.642 -0.868 6.093 1.00 0.00 C ATOM 1452 O ILE A 95 7.048 -1.047 5.029 1.00 0.00 O ATOM 1453 CB ILE A 95 6.089 0.012 7.929 1.00 0.00 C ATOM 1454 CG1 ILE A 95 5.714 1.180 8.876 1.00 0.00 C ATOM 1455 CG2 ILE A 95 6.322 -1.268 8.755 1.00 0.00 C ATOM 1456 CD1 ILE A 95 6.766 1.558 9.930 1.00 0.00 C ATOM 0 H ILE A 95 6.326 1.306 5.441 1.00 0.00 H new ATOM 0 HA ILE A 95 8.155 0.525 7.637 1.00 0.00 H new ATOM 0 HB ILE A 95 5.247 -0.142 7.254 1.00 0.00 H new ATOM 0 HG12 ILE A 95 5.504 2.061 8.269 1.00 0.00 H new ATOM 0 HG13 ILE A 95 4.789 0.921 9.391 1.00 0.00 H new ATOM 0 HG21 ILE A 95 5.457 -1.453 9.392 1.00 0.00 H new ATOM 0 HG22 ILE A 95 6.465 -2.114 8.083 1.00 0.00 H new ATOM 0 HG23 ILE A 95 7.209 -1.144 9.376 1.00 0.00 H new ATOM 0 HD11 ILE A 95 6.395 2.386 10.534 1.00 0.00 H new ATOM 0 HD12 ILE A 95 6.962 0.700 10.572 1.00 0.00 H new ATOM 0 HD13 ILE A 95 7.688 1.857 9.432 1.00 0.00 H new ATOM 1468 N VAL A 96 8.598 -1.699 6.516 1.00 0.00 N ATOM 1469 CA VAL A 96 9.099 -2.871 5.774 1.00 0.00 C ATOM 1470 C VAL A 96 8.755 -4.194 6.471 1.00 0.00 C ATOM 1471 O VAL A 96 8.698 -4.259 7.701 1.00 0.00 O ATOM 1472 CB VAL A 96 10.615 -2.759 5.523 1.00 0.00 C ATOM 1473 CG1 VAL A 96 10.938 -1.575 4.605 1.00 0.00 C ATOM 1474 CG2 VAL A 96 11.456 -2.615 6.800 1.00 0.00 C ATOM 0 H VAL A 96 9.064 -1.575 7.415 1.00 0.00 H new ATOM 0 HA VAL A 96 8.589 -2.877 4.810 1.00 0.00 H new ATOM 0 HB VAL A 96 10.884 -3.704 5.052 1.00 0.00 H new ATOM 0 HG11 VAL A 96 12.015 -1.521 4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 96 10.436 -1.710 3.647 1.00 0.00 H new ATOM 0 HG13 VAL A 96 10.593 -0.651 5.068 1.00 0.00 H new ATOM 0 HG21 VAL A 96 12.511 -2.542 6.535 1.00 0.00 H new ATOM 0 HG22 VAL A 96 11.154 -1.715 7.335 1.00 0.00 H new ATOM 0 HG23 VAL A 96 11.301 -3.485 7.438 1.00 0.00 H new ATOM 1484 N GLY A 97 8.560 -5.262 5.691 1.00 0.00 N ATOM 1485 CA GLY A 97 8.239 -6.601 6.194 1.00 0.00 C ATOM 1486 C GLY A 97 6.777 -6.777 6.630 1.00 0.00 C ATOM 1487 O GLY A 97 5.970 -5.843 6.605 1.00 0.00 O ATOM 0 H GLY A 97 8.622 -5.219 4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 97 8.465 -7.332 5.418 1.00 0.00 H new ATOM 0 HA3 GLY A 97 8.888 -6.824 7.041 1.00 0.00 H new ATOM 1491 N ALA A 98 6.428 -8.009 7.003 1.00 0.00 N ATOM 1492 CA ALA A 98 5.067 -8.387 7.390 1.00 0.00 C ATOM 1493 C ALA A 98 4.664 -7.908 8.800 1.00 0.00 C ATOM 1494 O ALA A 98 5.495 -7.819 9.711 1.00 0.00 O ATOM 1495 CB ALA A 98 4.895 -9.904 7.243 1.00 0.00 C ATOM 0 H ALA A 98 7.091 -8.783 7.046 1.00 0.00 H new ATOM 0 HA ALA A 98 4.386 -7.872 6.712 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.882 -10.185 7.531 1.00 0.00 H new ATOM 0 HB2 ALA A 98 5.070 -10.191 6.206 1.00 0.00 H new ATOM 0 HB3 ALA A 98 5.610 -10.415 7.887 1.00 0.00 H new ATOM 1501 N LYS A 99 3.367 -7.619 8.969 1.00 0.00 N ATOM 1502 CA LYS A 99 2.731 -7.116 10.202 1.00 0.00 C ATOM 1503 C LYS A 99 1.239 -7.482 10.274 1.00 0.00 C ATOM 1504 O LYS A 99 0.640 -7.848 9.263 1.00 0.00 O ATOM 1505 CB LYS A 99 2.965 -5.597 10.311 1.00 0.00 C ATOM 1506 CG LYS A 99 2.479 -4.789 9.091 1.00 0.00 C ATOM 1507 CD LYS A 99 2.855 -3.307 9.209 1.00 0.00 C ATOM 1508 CE LYS A 99 2.025 -2.620 10.300 1.00 0.00 C ATOM 1509 NZ LYS A 99 2.466 -1.226 10.557 1.00 0.00 N ATOM 0 H LYS A 99 2.694 -7.735 8.211 1.00 0.00 H new ATOM 0 HA LYS A 99 3.194 -7.603 11.060 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.458 -5.227 11.202 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.030 -5.415 10.451 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.914 -5.204 8.182 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.397 -4.884 8.998 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.916 -3.214 9.440 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.692 -2.809 8.253 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.975 -2.617 10.006 1.00 0.00 H new ATOM 0 HE3 LYS A 99 2.096 -3.196 11.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 1.784 -0.757 11.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 3.403 -1.236 11.007 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.520 -0.707 9.657 1.00 0.00 H new ATOM 1523 N GLY A 100 0.636 -7.381 11.461 1.00 0.00 N ATOM 1524 CA GLY A 100 -0.779 -7.660 11.702 1.00 0.00 C ATOM 1525 C GLY A 100 -1.659 -6.422 11.537 1.00 0.00 C ATOM 1526 O GLY A 100 -1.180 -5.283 11.512 1.00 0.00 O ATOM 0 H GLY A 100 1.134 -7.095 12.304 1.00 0.00 H new ATOM 0 HA2 GLY A 100 -1.115 -8.435 11.013 1.00 0.00 H new ATOM 0 HA3 GLY A 100 -0.901 -8.056 12.710 1.00 0.00 H new ATOM 1530 N LYS A 101 -2.975 -6.640 11.469 1.00 0.00 N ATOM 1531 CA LYS A 101 -3.981 -5.599 11.243 1.00 0.00 C ATOM 1532 C LYS A 101 -4.010 -4.514 12.319 1.00 0.00 C ATOM 1533 O LYS A 101 -4.251 -3.350 12.006 1.00 0.00 O ATOM 1534 CB LYS A 101 -5.329 -6.319 11.096 1.00 0.00 C ATOM 1535 CG LYS A 101 -6.391 -5.425 10.455 1.00 0.00 C ATOM 1536 CD LYS A 101 -7.624 -6.234 10.049 1.00 0.00 C ATOM 1537 CE LYS A 101 -8.397 -6.737 11.274 1.00 0.00 C ATOM 1538 NZ LYS A 101 -9.691 -7.344 10.880 1.00 0.00 N ATOM 0 H LYS A 101 -3.381 -7.570 11.572 1.00 0.00 H new ATOM 0 HA LYS A 101 -3.732 -5.043 10.339 1.00 0.00 H new ATOM 0 HB2 LYS A 101 -5.197 -7.215 10.490 1.00 0.00 H new ATOM 0 HB3 LYS A 101 -5.674 -6.645 12.077 1.00 0.00 H new ATOM 0 HG2 LYS A 101 -6.681 -4.642 11.155 1.00 0.00 H new ATOM 0 HG3 LYS A 101 -5.973 -4.930 9.578 1.00 0.00 H new ATOM 0 HD2 LYS A 101 -8.278 -5.617 9.433 1.00 0.00 H new ATOM 0 HD3 LYS A 101 -7.318 -7.083 9.437 1.00 0.00 H new ATOM 0 HE2 LYS A 101 -7.796 -7.472 11.810 1.00 0.00 H new ATOM 0 HE3 LYS A 101 -8.575 -5.909 11.960 1.00 0.00 H new ATOM 0 HZ1 LYS A 101 -10.265 -7.520 11.729 1.00 0.00 H new ATOM 0 HZ2 LYS A 101 -10.200 -6.695 10.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 101 -9.517 -8.243 10.387 1.00 0.00 H new ATOM 1552 N ALA A 102 -3.696 -4.876 13.562 1.00 0.00 N ATOM 1553 CA ALA A 102 -3.639 -3.934 14.682 1.00 0.00 C ATOM 1554 C ALA A 102 -2.510 -2.902 14.501 1.00 0.00 C ATOM 1555 O ALA A 102 -2.708 -1.713 14.747 1.00 0.00 O ATOM 1556 CB ALA A 102 -3.483 -4.733 15.982 1.00 0.00 C ATOM 0 H ALA A 102 -3.472 -5.836 13.823 1.00 0.00 H new ATOM 0 HA ALA A 102 -4.564 -3.359 14.722 1.00 0.00 H new ATOM 0 HB1 ALA A 102 -3.439 -4.047 16.828 1.00 0.00 H new ATOM 0 HB2 ALA A 102 -4.335 -5.402 16.102 1.00 0.00 H new ATOM 0 HB3 ALA A 102 -2.564 -5.318 15.941 1.00 0.00 H new ATOM 1562 N ALA A 103 -1.348 -3.332 13.996 1.00 0.00 N ATOM 1563 CA ALA A 103 -0.203 -2.464 13.719 1.00 0.00 C ATOM 1564 C ALA A 103 -0.398 -1.604 12.453 1.00 0.00 C ATOM 1565 O ALA A 103 0.131 -0.491 12.370 1.00 0.00 O ATOM 1566 CB ALA A 103 1.046 -3.351 13.646 1.00 0.00 C ATOM 0 H ALA A 103 -1.176 -4.311 13.765 1.00 0.00 H new ATOM 0 HA ALA A 103 -0.091 -1.737 14.523 1.00 0.00 H new ATOM 0 HB1 ALA A 103 1.920 -2.733 13.440 1.00 0.00 H new ATOM 0 HB2 ALA A 103 1.182 -3.867 14.597 1.00 0.00 H new ATOM 0 HB3 ALA A 103 0.925 -4.085 12.849 1.00 0.00 H new ATOM 1572 N LEU A 104 -1.151 -2.092 11.458 1.00 0.00 N ATOM 1573 CA LEU A 104 -1.509 -1.318 10.259 1.00 0.00 C ATOM 1574 C LEU A 104 -2.535 -0.215 10.590 1.00 0.00 C ATOM 1575 O LEU A 104 -2.362 0.948 10.220 1.00 0.00 O ATOM 1576 CB LEU A 104 -1.989 -2.293 9.165 1.00 0.00 C ATOM 1577 CG LEU A 104 -2.204 -1.647 7.781 1.00 0.00 C ATOM 1578 CD1 LEU A 104 -0.945 -0.954 7.260 1.00 0.00 C ATOM 1579 CD2 LEU A 104 -2.587 -2.715 6.757 1.00 0.00 C ATOM 0 H LEU A 104 -1.531 -3.039 11.461 1.00 0.00 H new ATOM 0 HA LEU A 104 -0.635 -0.790 9.878 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -1.259 -3.097 9.067 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -2.925 -2.749 9.488 1.00 0.00 H new ATOM 0 HG LEU A 104 -2.996 -0.909 7.907 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -1.149 -0.516 6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -0.648 -0.169 7.955 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -0.139 -1.683 7.170 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -2.737 -2.248 5.783 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -1.789 -3.454 6.686 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -3.509 -3.205 7.070 1.00 0.00 H new ATOM 1591 N LEU A 105 -3.556 -0.548 11.384 1.00 0.00 N ATOM 1592 CA LEU A 105 -4.513 0.427 11.910 1.00 0.00 C ATOM 1593 C LEU A 105 -3.861 1.396 12.916 1.00 0.00 C ATOM 1594 O LEU A 105 -4.260 2.559 12.976 1.00 0.00 O ATOM 1595 CB LEU A 105 -5.705 -0.336 12.504 1.00 0.00 C ATOM 1596 CG LEU A 105 -6.877 0.542 12.985 1.00 0.00 C ATOM 1597 CD1 LEU A 105 -7.489 1.380 11.860 1.00 0.00 C ATOM 1598 CD2 LEU A 105 -7.974 -0.354 13.558 1.00 0.00 C ATOM 0 H LEU A 105 -3.742 -1.506 11.681 1.00 0.00 H new ATOM 0 HA LEU A 105 -4.870 1.063 11.100 1.00 0.00 H new ATOM 0 HB2 LEU A 105 -6.079 -1.033 11.754 1.00 0.00 H new ATOM 0 HB3 LEU A 105 -5.351 -0.932 13.345 1.00 0.00 H new ATOM 0 HG LEU A 105 -6.477 1.223 13.737 1.00 0.00 H new ATOM 0 HD11 LEU A 105 -8.309 1.978 12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 105 -6.728 2.039 11.442 1.00 0.00 H new ATOM 0 HD13 LEU A 105 -7.866 0.720 11.079 1.00 0.00 H new ATOM 0 HD21 LEU A 105 -8.806 0.262 13.900 1.00 0.00 H new ATOM 0 HD22 LEU A 105 -8.324 -1.040 12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 105 -7.576 -0.925 14.397 1.00 0.00 H new ATOM 1610 N ARG A 106 -2.830 0.978 13.665 1.00 0.00 N ATOM 1611 CA ARG A 106 -2.035 1.874 14.527 1.00 0.00 C ATOM 1612 C ARG A 106 -1.192 2.865 13.722 1.00 0.00 C ATOM 1613 O ARG A 106 -1.174 4.047 14.076 1.00 0.00 O ATOM 1614 CB ARG A 106 -1.185 1.052 15.515 1.00 0.00 C ATOM 1615 CG ARG A 106 -0.259 1.885 16.420 1.00 0.00 C ATOM 1616 CD ARG A 106 -1.000 2.919 17.285 1.00 0.00 C ATOM 1617 NE ARG A 106 -0.054 3.815 17.979 1.00 0.00 N ATOM 1618 CZ ARG A 106 0.530 4.889 17.475 1.00 0.00 C ATOM 1619 NH1 ARG A 106 0.327 5.303 16.261 1.00 0.00 N ATOM 1620 NH2 ARG A 106 1.362 5.597 18.180 1.00 0.00 N ATOM 0 H ARG A 106 -2.521 0.006 13.692 1.00 0.00 H new ATOM 0 HA ARG A 106 -2.731 2.482 15.106 1.00 0.00 H new ATOM 0 HB2 ARG A 106 -1.853 0.464 16.145 1.00 0.00 H new ATOM 0 HB3 ARG A 106 -0.577 0.346 14.949 1.00 0.00 H new ATOM 0 HG2 ARG A 106 0.297 1.212 17.072 1.00 0.00 H new ATOM 0 HG3 ARG A 106 0.472 2.402 15.798 1.00 0.00 H new ATOM 0 HD2 ARG A 106 -1.669 3.508 16.658 1.00 0.00 H new ATOM 0 HD3 ARG A 106 -1.621 2.405 18.018 1.00 0.00 H new ATOM 0 HE ARG A 106 0.172 3.582 18.946 1.00 0.00 H new ATOM 0 HH11 ARG A 106 -0.309 4.793 15.648 1.00 0.00 H new ATOM 0 HH12 ARG A 106 0.803 6.138 15.921 1.00 0.00 H new ATOM 0 HH21 ARG A 106 1.575 5.327 19.140 1.00 0.00 H new ATOM 0 HH22 ARG A 106 1.802 6.422 17.773 1.00 0.00 H new ATOM 1634 N GLU A 107 -0.535 2.440 12.637 1.00 0.00 N ATOM 1635 CA GLU A 107 0.176 3.401 11.775 1.00 0.00 C ATOM 1636 C GLU A 107 -0.789 4.354 11.048 1.00 0.00 C ATOM 1637 O GLU A 107 -0.445 5.517 10.839 1.00 0.00 O ATOM 1638 CB GLU A 107 1.192 2.733 10.830 1.00 0.00 C ATOM 1639 CG GLU A 107 0.651 2.133 9.540 1.00 0.00 C ATOM 1640 CD GLU A 107 1.787 1.771 8.568 1.00 0.00 C ATOM 1641 OE1 GLU A 107 2.281 2.666 7.846 1.00 0.00 O ATOM 1642 OE2 GLU A 107 2.192 0.585 8.555 1.00 0.00 O ATOM 0 H GLU A 107 -0.478 1.467 12.337 1.00 0.00 H new ATOM 0 HA GLU A 107 0.774 4.022 12.442 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.947 3.474 10.567 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.700 1.943 11.383 1.00 0.00 H new ATOM 0 HG2 GLU A 107 0.068 1.241 9.769 1.00 0.00 H new ATOM 0 HG3 GLU A 107 -0.025 2.842 9.063 1.00 0.00 H new ATOM 1649 N LEU A 108 -2.020 3.909 10.756 1.00 0.00 N ATOM 1650 CA LEU A 108 -3.094 4.794 10.287 1.00 0.00 C ATOM 1651 C LEU A 108 -3.534 5.790 11.377 1.00 0.00 C ATOM 1652 O LEU A 108 -3.650 6.990 11.122 1.00 0.00 O ATOM 1653 CB LEU A 108 -4.263 3.922 9.781 1.00 0.00 C ATOM 1654 CG LEU A 108 -5.385 4.638 8.999 1.00 0.00 C ATOM 1655 CD1 LEU A 108 -6.430 5.301 9.897 1.00 0.00 C ATOM 1656 CD2 LEU A 108 -4.866 5.678 8.002 1.00 0.00 C ATOM 0 H LEU A 108 -2.297 2.931 10.838 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.727 5.407 9.464 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.851 3.141 9.143 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -4.713 3.426 10.641 1.00 0.00 H new ATOM 0 HG LEU A 108 -5.862 3.828 8.447 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -7.187 5.784 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -6.902 4.545 10.525 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -5.947 6.047 10.528 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -5.708 6.142 7.488 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -4.301 6.443 8.535 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -4.219 5.191 7.272 1.00 0.00 H new ATOM 1668 N SER A 109 -3.701 5.314 12.614 1.00 0.00 N ATOM 1669 CA SER A 109 -4.067 6.127 13.785 1.00 0.00 C ATOM 1670 C SER A 109 -2.971 7.126 14.176 1.00 0.00 C ATOM 1671 O SER A 109 -3.246 8.102 14.874 1.00 0.00 O ATOM 1672 CB SER A 109 -4.393 5.236 14.991 1.00 0.00 C ATOM 1673 OG SER A 109 -5.475 4.363 14.711 1.00 0.00 O ATOM 0 H SER A 109 -3.583 4.326 12.838 1.00 0.00 H new ATOM 0 HA SER A 109 -4.952 6.694 13.496 1.00 0.00 H new ATOM 0 HB2 SER A 109 -3.513 4.652 15.263 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.640 5.860 15.850 1.00 0.00 H new ATOM 0 HG SER A 109 -5.174 3.653 14.106 1.00 0.00 H new ATOM 1679 N ASP A 110 -1.732 6.905 13.722 1.00 0.00 N ATOM 1680 CA ASP A 110 -0.627 7.856 13.887 1.00 0.00 C ATOM 1681 C ASP A 110 -0.820 9.195 13.133 1.00 0.00 C ATOM 1682 O ASP A 110 -0.168 10.186 13.473 1.00 0.00 O ATOM 1683 CB ASP A 110 0.690 7.188 13.458 1.00 0.00 C ATOM 1684 CG ASP A 110 1.882 7.712 14.267 1.00 0.00 C ATOM 1685 OD1 ASP A 110 1.895 7.476 15.500 1.00 0.00 O ATOM 1686 OD2 ASP A 110 2.828 8.275 13.667 1.00 0.00 O ATOM 0 H ASP A 110 -1.466 6.054 13.226 1.00 0.00 H new ATOM 0 HA ASP A 110 -0.601 8.119 14.945 1.00 0.00 H new ATOM 0 HB2 ASP A 110 0.609 6.109 13.587 1.00 0.00 H new ATOM 0 HB3 ASP A 110 0.862 7.371 12.397 1.00 0.00 H new ATOM 1691 N VAL A 111 -1.711 9.252 12.131 1.00 0.00 N ATOM 1692 CA VAL A 111 -2.068 10.474 11.390 1.00 0.00 C ATOM 1693 C VAL A 111 -3.023 11.354 12.212 1.00 0.00 C ATOM 1694 O VAL A 111 -3.848 10.858 12.983 1.00 0.00 O ATOM 1695 CB VAL A 111 -2.674 10.128 10.013 1.00 0.00 C ATOM 1696 CG1 VAL A 111 -2.933 11.374 9.160 1.00 0.00 C ATOM 1697 CG2 VAL A 111 -1.744 9.220 9.193 1.00 0.00 C ATOM 0 H VAL A 111 -2.217 8.429 11.805 1.00 0.00 H new ATOM 0 HA VAL A 111 -1.155 11.043 11.217 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.613 9.622 10.238 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.359 11.077 8.202 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.630 12.032 9.679 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.994 11.901 8.992 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -2.206 8.999 8.231 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -0.792 9.726 9.031 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -1.573 8.290 9.735 1.00 0.00 H new ATOM 1707 N VAL A 112 -2.922 12.673 12.028 1.00 0.00 N ATOM 1708 CA VAL A 112 -3.666 13.707 12.775 1.00 0.00 C ATOM 1709 C VAL A 112 -4.352 14.681 11.794 1.00 0.00 C ATOM 1710 O VAL A 112 -3.700 15.118 10.838 1.00 0.00 O ATOM 1711 CB VAL A 112 -2.725 14.463 13.744 1.00 0.00 C ATOM 1712 CG1 VAL A 112 -3.482 15.442 14.651 1.00 0.00 C ATOM 1713 CG2 VAL A 112 -1.958 13.508 14.673 1.00 0.00 C ATOM 0 H VAL A 112 -2.296 13.072 11.328 1.00 0.00 H new ATOM 0 HA VAL A 112 -4.438 13.222 13.372 1.00 0.00 H new ATOM 0 HB VAL A 112 -2.037 15.002 13.093 1.00 0.00 H new ATOM 0 HG11 VAL A 112 -2.776 15.946 15.311 1.00 0.00 H new ATOM 0 HG12 VAL A 112 -3.998 16.181 14.038 1.00 0.00 H new ATOM 0 HG13 VAL A 112 -4.211 14.895 15.249 1.00 0.00 H new ATOM 0 HG21 VAL A 112 -1.311 14.085 15.334 1.00 0.00 H new ATOM 0 HG22 VAL A 112 -2.667 12.933 15.269 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -1.352 12.828 14.075 1.00 0.00 H new ATOM 1723 N PRO A 113 -5.641 15.033 11.984 1.00 0.00 N ATOM 1724 CA PRO A 113 -6.357 15.985 11.125 1.00 0.00 C ATOM 1725 C PRO A 113 -5.947 17.449 11.376 1.00 0.00 C ATOM 1726 O PRO A 113 -5.331 17.782 12.393 1.00 0.00 O ATOM 1727 CB PRO A 113 -7.842 15.746 11.423 1.00 0.00 C ATOM 1728 CG PRO A 113 -7.833 15.323 12.890 1.00 0.00 C ATOM 1729 CD PRO A 113 -6.548 14.504 12.997 1.00 0.00 C ATOM 0 HA PRO A 113 -6.117 15.822 10.074 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -8.435 16.647 11.266 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -8.263 14.971 10.782 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -7.821 16.183 13.559 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -8.712 14.732 13.146 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -6.113 14.591 13.993 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.746 13.446 12.827 1.00 0.00 H new ATOM 1737 N ASN A 114 -6.322 18.343 10.456 1.00 0.00 N ATOM 1738 CA ASN A 114 -6.127 19.791 10.550 1.00 0.00 C ATOM 1739 C ASN A 114 -7.289 20.540 9.878 1.00 0.00 C ATOM 1740 O ASN A 114 -7.974 20.006 9.001 1.00 0.00 O ATOM 1741 CB ASN A 114 -4.779 20.160 9.905 1.00 0.00 C ATOM 1742 CG ASN A 114 -4.368 21.599 10.165 1.00 0.00 C ATOM 1743 OD1 ASN A 114 -4.333 22.056 11.299 1.00 0.00 O ATOM 1744 ND2 ASN A 114 -4.082 22.374 9.147 1.00 0.00 N ATOM 0 H ASN A 114 -6.788 18.066 9.592 1.00 0.00 H new ATOM 0 HA ASN A 114 -6.112 20.089 11.598 1.00 0.00 H new ATOM 0 HB2 ASN A 114 -4.006 19.493 10.286 1.00 0.00 H new ATOM 0 HB3 ASN A 114 -4.840 19.995 8.829 1.00 0.00 H new ATOM 0 HD21 ASN A 114 -3.833 23.351 9.304 1.00 0.00 H new ATOM 0 HD22 ASN A 114 -4.109 22.000 8.198 1.00 0.00 H new ATOM 1751 N LEU A 115 -7.476 21.802 10.262 1.00 0.00 N ATOM 1752 CA LEU A 115 -8.510 22.692 9.717 1.00 0.00 C ATOM 1753 C LEU A 115 -8.228 23.213 8.289 1.00 0.00 C ATOM 1754 O LEU A 115 -9.113 23.799 7.659 1.00 0.00 O ATOM 1755 CB LEU A 115 -8.796 23.814 10.734 1.00 0.00 C ATOM 1756 CG LEU A 115 -7.915 25.080 10.679 1.00 0.00 C ATOM 1757 CD1 LEU A 115 -8.415 26.091 11.712 1.00 0.00 C ATOM 1758 CD2 LEU A 115 -6.440 24.806 10.971 1.00 0.00 C ATOM 0 H LEU A 115 -6.901 22.248 10.977 1.00 0.00 H new ATOM 0 HA LEU A 115 -9.414 22.099 9.579 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -9.834 24.123 10.608 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -8.709 23.389 11.734 1.00 0.00 H new ATOM 0 HG LEU A 115 -7.991 25.462 9.661 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -7.794 26.986 11.675 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -9.449 26.357 11.490 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -8.359 25.652 12.708 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -5.879 25.739 10.916 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -6.340 24.381 11.970 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -6.048 24.103 10.236 1.00 0.00 H new ATOM 1770 N ASN A 116 -7.009 22.993 7.781 1.00 0.00 N ATOM 1771 CA ASN A 116 -6.531 23.330 6.435 1.00 0.00 C ATOM 1772 C ASN A 116 -5.676 22.182 5.863 1.00 0.00 C ATOM 1773 O ASN A 116 -6.103 21.560 4.866 1.00 0.00 O ATOM 1774 CB ASN A 116 -5.773 24.677 6.511 1.00 0.00 C ATOM 1775 CG ASN A 116 -5.162 25.117 5.186 1.00 0.00 C ATOM 1776 OD1 ASN A 116 -5.661 26.001 4.503 1.00 0.00 O ATOM 1777 ND2 ASN A 116 -4.060 24.521 4.789 1.00 0.00 N ATOM 1778 OXT ASN A 116 -4.586 21.921 6.426 1.00 0.00 O ATOM 0 H ASN A 116 -6.281 22.544 8.338 1.00 0.00 H new ATOM 0 HA ASN A 116 -7.365 23.451 5.744 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.459 25.450 6.858 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -4.981 24.596 7.256 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.620 24.795 3.911 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -3.645 23.784 5.359 1.00 0.00 H new TER 1785 ASN A 116