USER MOD reduce.3.24.130724 H: found=0, std=0, add=628, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 628 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl -159:sc= -0.0767 (180deg=-0.61) USER MOD Single : A 1 MET N :NH3+ -165:sc=-0.00553 (180deg=-0.314) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 153:sc= -2.93 (180deg=-4.22!) USER MOD Single : A 14 THR OG1 : rot 10:sc= 0.104 USER MOD Single : A 24 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.041) USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -163:sc= -0.0164 (180deg=-0.326) USER MOD Single : A 33 GLN : amide:sc= -0.394 X(o=-0.39,f=-0.17) USER MOD Single : A 39 MET CE :methyl -153:sc= -0.377 (180deg=-1.36) USER MOD Single : A 40 THR OG1 : rot 180:sc= -0.993! USER MOD Single : A 42 LYS NZ :NH3+ 162:sc= -0.0578 (180deg=-0.484) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -107:sc= -3.66! (180deg=-7.26!) USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 GLN : amide:sc= -0.114! C(o=-0.11!,f=-3.1!) USER MOD Single : A 70 SER OG : rot 180:sc= -0.14 USER MOD Single : A 71 THR OG1 : rot 44:sc= 0.101 USER MOD Single : A 74 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 77 THR OG1 : rot 180:sc= -0.0603 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.394 0.516 -11.027 1.00 0.00 N ATOM 2 CA MET A 1 71.104 0.045 -10.449 1.00 0.00 C ATOM 3 C MET A 1 71.248 -1.410 -10.012 1.00 0.00 C ATOM 4 O MET A 1 71.048 -2.326 -10.809 1.00 0.00 O ATOM 5 CB MET A 1 69.997 0.161 -11.499 1.00 0.00 C ATOM 6 CG MET A 1 69.761 1.636 -11.829 1.00 0.00 C ATOM 7 SD MET A 1 68.362 1.789 -12.970 1.00 0.00 S ATOM 8 CE MET A 1 69.169 1.111 -14.443 1.00 0.00 C ATOM 0 H1 MET A 1 72.388 1.554 -11.090 1.00 0.00 H new ATOM 0 H2 MET A 1 73.179 0.211 -10.417 1.00 0.00 H new ATOM 0 H3 MET A 1 72.517 0.112 -11.977 1.00 0.00 H new ATOM 0 HA MET A 1 70.845 0.660 -9.587 1.00 0.00 H new ATOM 0 HB2 MET A 1 70.277 -0.384 -12.400 1.00 0.00 H new ATOM 0 HB3 MET A 1 69.078 -0.291 -11.126 1.00 0.00 H new ATOM 0 HG2 MET A 1 69.561 2.196 -10.915 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.657 2.067 -12.277 1.00 0.00 H new ATOM 0 HE1 MET A 1 68.638 1.444 -15.335 1.00 0.00 H new ATOM 0 HE2 MET A 1 70.201 1.458 -14.485 1.00 0.00 H new ATOM 0 HE3 MET A 1 69.154 0.022 -14.397 1.00 0.00 H new ATOM 20 N TYR A 2 71.589 -1.620 -8.742 1.00 0.00 N ATOM 21 CA TYR A 2 71.746 -2.976 -8.218 1.00 0.00 C ATOM 22 C TYR A 2 70.397 -3.466 -7.703 1.00 0.00 C ATOM 23 O TYR A 2 69.734 -2.771 -6.934 1.00 0.00 O ATOM 24 CB TYR A 2 72.784 -2.980 -7.079 1.00 0.00 C ATOM 25 CG TYR A 2 73.446 -4.351 -6.954 1.00 0.00 C ATOM 26 CD1 TYR A 2 72.681 -5.501 -6.662 1.00 0.00 C ATOM 27 CD2 TYR A 2 74.837 -4.481 -7.137 1.00 0.00 C ATOM 28 CE1 TYR A 2 73.299 -6.754 -6.557 1.00 0.00 C ATOM 29 CE2 TYR A 2 75.447 -5.738 -7.032 1.00 0.00 C ATOM 30 CZ TYR A 2 74.681 -6.871 -6.742 1.00 0.00 C ATOM 31 OH TYR A 2 75.295 -8.103 -6.639 1.00 0.00 O ATOM 0 H TYR A 2 71.760 -0.878 -8.063 1.00 0.00 H new ATOM 0 HA TYR A 2 72.096 -3.640 -9.008 1.00 0.00 H new ATOM 0 HB2 TYR A 2 73.543 -2.221 -7.269 1.00 0.00 H new ATOM 0 HB3 TYR A 2 72.300 -2.718 -6.138 1.00 0.00 H new ATOM 0 HD1 TYR A 2 71.614 -5.414 -6.519 1.00 0.00 H new ATOM 0 HD2 TYR A 2 75.435 -3.609 -7.359 1.00 0.00 H new ATOM 0 HE1 TYR A 2 72.708 -7.630 -6.333 1.00 0.00 H new ATOM 0 HE2 TYR A 2 76.513 -5.832 -7.176 1.00 0.00 H new ATOM 0 HH TYR A 2 76.257 -8.003 -6.797 1.00 0.00 H new ATOM 41 N GLU A 3 69.995 -4.661 -8.133 1.00 0.00 N ATOM 42 CA GLU A 3 68.714 -5.234 -7.713 1.00 0.00 C ATOM 43 C GLU A 3 68.952 -6.453 -6.828 1.00 0.00 C ATOM 44 O GLU A 3 69.655 -7.383 -7.219 1.00 0.00 O ATOM 45 CB GLU A 3 67.907 -5.642 -8.951 1.00 0.00 C ATOM 46 CG GLU A 3 67.661 -4.413 -9.842 1.00 0.00 C ATOM 47 CD GLU A 3 68.888 -4.143 -10.711 1.00 0.00 C ATOM 48 OE1 GLU A 3 69.878 -4.832 -10.536 1.00 0.00 O ATOM 49 OE2 GLU A 3 68.815 -3.253 -11.544 1.00 0.00 O ATOM 0 H GLU A 3 70.533 -5.250 -8.769 1.00 0.00 H new ATOM 0 HA GLU A 3 68.157 -4.489 -7.145 1.00 0.00 H new ATOM 0 HB2 GLU A 3 68.445 -6.407 -9.511 1.00 0.00 H new ATOM 0 HB3 GLU A 3 66.956 -6.079 -8.648 1.00 0.00 H new ATOM 0 HG2 GLU A 3 66.788 -4.580 -10.473 1.00 0.00 H new ATOM 0 HG3 GLU A 3 67.445 -3.542 -9.223 1.00 0.00 H new ATOM 56 N PHE A 4 68.367 -6.452 -5.628 1.00 0.00 N ATOM 57 CA PHE A 4 68.537 -7.579 -4.701 1.00 0.00 C ATOM 58 C PHE A 4 67.421 -8.602 -4.884 1.00 0.00 C ATOM 59 O PHE A 4 66.237 -8.283 -4.769 1.00 0.00 O ATOM 60 CB PHE A 4 68.610 -7.071 -3.234 1.00 0.00 C ATOM 61 CG PHE A 4 68.230 -8.164 -2.238 1.00 0.00 C ATOM 62 CD1 PHE A 4 68.905 -9.402 -2.233 1.00 0.00 C ATOM 63 CD2 PHE A 4 67.183 -7.945 -1.319 1.00 0.00 C ATOM 64 CE1 PHE A 4 68.537 -10.399 -1.325 1.00 0.00 C ATOM 65 CE2 PHE A 4 66.821 -8.950 -0.416 1.00 0.00 C ATOM 66 CZ PHE A 4 67.498 -10.175 -0.419 1.00 0.00 C ATOM 0 H PHE A 4 67.779 -5.696 -5.277 1.00 0.00 H new ATOM 0 HA PHE A 4 69.480 -8.077 -4.928 1.00 0.00 H new ATOM 0 HB2 PHE A 4 69.619 -6.719 -3.021 1.00 0.00 H new ATOM 0 HB3 PHE A 4 67.942 -6.218 -3.111 1.00 0.00 H new ATOM 0 HD1 PHE A 4 69.708 -9.580 -2.932 1.00 0.00 H new ATOM 0 HD2 PHE A 4 66.660 -7.000 -1.312 1.00 0.00 H new ATOM 0 HE1 PHE A 4 69.058 -11.345 -1.324 1.00 0.00 H new ATOM 0 HE2 PHE A 4 66.017 -8.780 0.285 1.00 0.00 H new ATOM 0 HZ PHE A 4 67.216 -10.948 0.280 1.00 0.00 H new ATOM 76 N LYS A 5 67.826 -9.842 -5.161 1.00 0.00 N ATOM 77 CA LYS A 5 66.888 -10.947 -5.361 1.00 0.00 C ATOM 78 C LYS A 5 67.195 -12.055 -4.361 1.00 0.00 C ATOM 79 O LYS A 5 68.353 -12.282 -4.011 1.00 0.00 O ATOM 80 CB LYS A 5 67.032 -11.500 -6.779 1.00 0.00 C ATOM 81 CG LYS A 5 66.619 -10.440 -7.800 1.00 0.00 C ATOM 82 CD LYS A 5 66.861 -10.979 -9.210 1.00 0.00 C ATOM 83 CE LYS A 5 66.467 -9.920 -10.241 1.00 0.00 C ATOM 84 NZ LYS A 5 64.991 -9.721 -10.212 1.00 0.00 N ATOM 0 H LYS A 5 68.807 -10.108 -5.253 1.00 0.00 H new ATOM 0 HA LYS A 5 65.870 -10.585 -5.215 1.00 0.00 H new ATOM 0 HB2 LYS A 5 68.064 -11.804 -6.956 1.00 0.00 H new ATOM 0 HB3 LYS A 5 66.413 -12.389 -6.896 1.00 0.00 H new ATOM 0 HG2 LYS A 5 65.567 -10.184 -7.671 1.00 0.00 H new ATOM 0 HG3 LYS A 5 67.191 -9.525 -7.644 1.00 0.00 H new ATOM 0 HD2 LYS A 5 67.910 -11.247 -9.332 1.00 0.00 H new ATOM 0 HD3 LYS A 5 66.280 -11.888 -9.367 1.00 0.00 H new ATOM 0 HE2 LYS A 5 66.975 -8.980 -10.025 1.00 0.00 H new ATOM 0 HE3 LYS A 5 66.783 -10.232 -11.237 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 64.764 -8.757 -10.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 64.535 -10.409 -10.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 64.641 -9.858 -9.242 1.00 0.00 H new ATOM 98 N LEU A 6 66.162 -12.747 -3.899 1.00 0.00 N ATOM 99 CA LEU A 6 66.374 -13.830 -2.935 1.00 0.00 C ATOM 100 C LEU A 6 67.208 -14.949 -3.583 1.00 0.00 C ATOM 101 O LEU A 6 66.751 -15.570 -4.543 1.00 0.00 O ATOM 102 CB LEU A 6 65.035 -14.412 -2.456 1.00 0.00 C ATOM 103 CG LEU A 6 65.259 -15.325 -1.229 1.00 0.00 C ATOM 104 CD1 LEU A 6 65.315 -14.491 0.061 1.00 0.00 C ATOM 105 CD2 LEU A 6 64.111 -16.332 -1.119 1.00 0.00 C ATOM 0 H LEU A 6 65.190 -12.588 -4.165 1.00 0.00 H new ATOM 0 HA LEU A 6 66.905 -13.419 -2.076 1.00 0.00 H new ATOM 0 HB2 LEU A 6 64.351 -13.604 -2.197 1.00 0.00 H new ATOM 0 HB3 LEU A 6 64.568 -14.980 -3.261 1.00 0.00 H new ATOM 0 HG LEU A 6 66.206 -15.849 -1.358 1.00 0.00 H new ATOM 0 HD11 LEU A 6 65.473 -15.151 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.136 -13.777 -0.003 1.00 0.00 H new ATOM 0 HD13 LEU A 6 64.375 -13.953 0.188 1.00 0.00 H new ATOM 0 HD21 LEU A 6 64.272 -16.974 -0.253 1.00 0.00 H new ATOM 0 HD22 LEU A 6 63.168 -15.798 -1.004 1.00 0.00 H new ATOM 0 HD23 LEU A 6 64.075 -16.942 -2.021 1.00 0.00 H new ATOM 117 N PRO A 7 68.410 -15.223 -3.109 1.00 0.00 N ATOM 118 CA PRO A 7 69.272 -16.285 -3.710 1.00 0.00 C ATOM 119 C PRO A 7 68.805 -17.689 -3.338 1.00 0.00 C ATOM 120 O PRO A 7 69.312 -18.682 -3.860 1.00 0.00 O ATOM 121 CB PRO A 7 70.667 -15.985 -3.145 1.00 0.00 C ATOM 122 CG PRO A 7 70.413 -15.330 -1.826 1.00 0.00 C ATOM 123 CD PRO A 7 69.089 -14.569 -1.964 1.00 0.00 C ATOM 0 HA PRO A 7 69.244 -16.270 -4.800 1.00 0.00 H new ATOM 0 HB2 PRO A 7 71.251 -16.898 -3.027 1.00 0.00 H new ATOM 0 HB3 PRO A 7 71.230 -15.330 -3.810 1.00 0.00 H new ATOM 0 HG2 PRO A 7 70.352 -16.072 -1.030 1.00 0.00 H new ATOM 0 HG3 PRO A 7 71.225 -14.651 -1.568 1.00 0.00 H new ATOM 0 HD2 PRO A 7 68.493 -14.640 -1.054 1.00 0.00 H new ATOM 0 HD3 PRO A 7 69.257 -13.509 -2.154 1.00 0.00 H new ATOM 131 N ASP A 8 67.835 -17.760 -2.443 1.00 0.00 N ATOM 132 CA ASP A 8 67.297 -19.049 -2.018 1.00 0.00 C ATOM 133 C ASP A 8 68.410 -19.996 -1.567 1.00 0.00 C ATOM 134 O ASP A 8 68.318 -21.205 -1.789 1.00 0.00 O ATOM 135 CB ASP A 8 66.556 -19.700 -3.183 1.00 0.00 C ATOM 136 CG ASP A 8 65.290 -18.913 -3.505 1.00 0.00 C ATOM 137 OD1 ASP A 8 65.413 -17.764 -3.897 1.00 0.00 O ATOM 138 OD2 ASP A 8 64.217 -19.474 -3.361 1.00 0.00 O ATOM 0 H ASP A 8 67.404 -16.950 -1.997 1.00 0.00 H new ATOM 0 HA ASP A 8 66.623 -18.869 -1.180 1.00 0.00 H new ATOM 0 HB2 ASP A 8 67.203 -19.738 -4.060 1.00 0.00 H new ATOM 0 HB3 ASP A 8 66.300 -20.729 -2.931 1.00 0.00 H new ATOM 143 N ILE A 9 69.465 -19.464 -0.949 1.00 0.00 N ATOM 144 CA ILE A 9 70.568 -20.311 -0.501 1.00 0.00 C ATOM 145 C ILE A 9 70.932 -21.320 -1.597 1.00 0.00 C ATOM 146 O ILE A 9 71.561 -22.345 -1.340 1.00 0.00 O ATOM 147 CB ILE A 9 70.158 -21.045 0.798 1.00 0.00 C ATOM 148 CG1 ILE A 9 69.944 -20.010 1.917 1.00 0.00 C ATOM 149 CG2 ILE A 9 71.250 -22.052 1.224 1.00 0.00 C ATOM 150 CD1 ILE A 9 69.218 -20.668 3.100 1.00 0.00 C ATOM 0 H ILE A 9 69.578 -18.470 -0.750 1.00 0.00 H new ATOM 0 HA ILE A 9 71.443 -19.693 -0.298 1.00 0.00 H new ATOM 0 HB ILE A 9 69.234 -21.594 0.617 1.00 0.00 H new ATOM 0 HG12 ILE A 9 70.904 -19.610 2.244 1.00 0.00 H new ATOM 0 HG13 ILE A 9 69.360 -19.170 1.541 1.00 0.00 H new ATOM 0 HG21 ILE A 9 70.942 -22.557 2.139 1.00 0.00 H new ATOM 0 HG22 ILE A 9 71.394 -22.789 0.434 1.00 0.00 H new ATOM 0 HG23 ILE A 9 72.186 -21.521 1.400 1.00 0.00 H new ATOM 0 HD11 ILE A 9 69.068 -19.932 3.890 1.00 0.00 H new ATOM 0 HD12 ILE A 9 68.251 -21.046 2.769 1.00 0.00 H new ATOM 0 HD13 ILE A 9 69.819 -21.493 3.482 1.00 0.00 H new ATOM 162 N GLY A 10 70.531 -21.015 -2.828 1.00 0.00 N ATOM 163 CA GLY A 10 70.814 -21.893 -3.962 1.00 0.00 C ATOM 164 C GLY A 10 69.713 -22.935 -4.121 1.00 0.00 C ATOM 165 O GLY A 10 68.737 -22.938 -3.370 1.00 0.00 O ATOM 0 H GLY A 10 70.011 -20.170 -3.066 1.00 0.00 H new ATOM 0 HA2 GLY A 10 70.898 -21.302 -4.874 1.00 0.00 H new ATOM 0 HA3 GLY A 10 71.773 -22.389 -3.814 1.00 0.00 H new ATOM 169 N GLU A 11 69.869 -23.811 -5.107 1.00 0.00 N ATOM 170 CA GLU A 11 68.874 -24.850 -5.357 1.00 0.00 C ATOM 171 C GLU A 11 67.503 -24.223 -5.599 1.00 0.00 C ATOM 172 O GLU A 11 67.132 -23.946 -6.739 1.00 0.00 O ATOM 173 CB GLU A 11 68.811 -25.809 -4.161 1.00 0.00 C ATOM 174 CG GLU A 11 67.794 -26.919 -4.434 1.00 0.00 C ATOM 175 CD GLU A 11 67.816 -27.925 -3.290 1.00 0.00 C ATOM 176 OE1 GLU A 11 68.727 -27.851 -2.484 1.00 0.00 O ATOM 177 OE2 GLU A 11 66.915 -28.749 -3.231 1.00 0.00 O ATOM 0 H GLU A 11 70.667 -23.824 -5.742 1.00 0.00 H new ATOM 0 HA GLU A 11 69.163 -25.409 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 11 69.795 -26.242 -3.979 1.00 0.00 H new ATOM 0 HB3 GLU A 11 68.532 -25.262 -3.260 1.00 0.00 H new ATOM 0 HG2 GLU A 11 66.796 -26.494 -4.539 1.00 0.00 H new ATOM 0 HG3 GLU A 11 68.028 -27.417 -5.375 1.00 0.00 H new ATOM 184 N GLY A 12 66.754 -24.006 -4.518 1.00 0.00 N ATOM 185 CA GLY A 12 65.420 -23.413 -4.616 1.00 0.00 C ATOM 186 C GLY A 12 64.471 -24.047 -3.604 1.00 0.00 C ATOM 187 O GLY A 12 64.725 -25.143 -3.103 1.00 0.00 O ATOM 0 H GLY A 12 67.047 -24.231 -3.567 1.00 0.00 H new ATOM 0 HA2 GLY A 12 65.481 -22.339 -4.441 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.029 -23.550 -5.624 1.00 0.00 H new ATOM 191 N VAL A 13 63.378 -23.347 -3.308 1.00 0.00 N ATOM 192 CA VAL A 13 62.389 -23.845 -2.351 1.00 0.00 C ATOM 193 C VAL A 13 60.988 -23.405 -2.776 1.00 0.00 C ATOM 194 O VAL A 13 59.990 -23.828 -2.193 1.00 0.00 O ATOM 195 CB VAL A 13 62.704 -23.314 -0.945 1.00 0.00 C ATOM 196 CG1 VAL A 13 61.545 -23.644 0.006 1.00 0.00 C ATOM 197 CG2 VAL A 13 63.985 -23.973 -0.422 1.00 0.00 C ATOM 0 H VAL A 13 63.154 -22.438 -3.714 1.00 0.00 H new ATOM 0 HA VAL A 13 62.429 -24.934 -2.333 1.00 0.00 H new ATOM 0 HB VAL A 13 62.840 -22.234 -0.994 1.00 0.00 H new ATOM 0 HG11 VAL A 13 61.773 -23.265 1.002 1.00 0.00 H new ATOM 0 HG12 VAL A 13 60.630 -23.177 -0.359 1.00 0.00 H new ATOM 0 HG13 VAL A 13 61.408 -24.724 0.051 1.00 0.00 H new ATOM 0 HG21 VAL A 13 64.207 -23.595 0.576 1.00 0.00 H new ATOM 0 HG22 VAL A 13 63.847 -25.053 -0.378 1.00 0.00 H new ATOM 0 HG23 VAL A 13 64.813 -23.740 -1.091 1.00 0.00 H new ATOM 207 N THR A 14 60.930 -22.553 -3.793 1.00 0.00 N ATOM 208 CA THR A 14 59.657 -22.050 -4.304 1.00 0.00 C ATOM 209 C THR A 14 58.817 -21.431 -3.191 1.00 0.00 C ATOM 210 O THR A 14 57.666 -21.813 -2.983 1.00 0.00 O ATOM 211 CB THR A 14 58.867 -23.173 -4.974 1.00 0.00 C ATOM 212 OG1 THR A 14 58.522 -24.153 -4.007 1.00 0.00 O ATOM 213 CG2 THR A 14 59.712 -23.812 -6.077 1.00 0.00 C ATOM 0 H THR A 14 61.750 -22.195 -4.282 1.00 0.00 H new ATOM 0 HA THR A 14 59.882 -21.277 -5.039 1.00 0.00 H new ATOM 0 HB THR A 14 57.958 -22.762 -5.413 1.00 0.00 H new ATOM 0 HG1 THR A 14 58.733 -23.817 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 14 59.145 -24.612 -6.552 1.00 0.00 H new ATOM 0 HG22 THR A 14 59.969 -23.058 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 14 60.625 -24.221 -5.645 1.00 0.00 H new ATOM 221 N GLU A 15 59.399 -20.458 -2.499 1.00 0.00 N ATOM 222 CA GLU A 15 58.702 -19.763 -1.418 1.00 0.00 C ATOM 223 C GLU A 15 59.552 -18.619 -0.882 1.00 0.00 C ATOM 224 O GLU A 15 60.769 -18.746 -0.752 1.00 0.00 O ATOM 225 CB GLU A 15 58.397 -20.744 -0.285 1.00 0.00 C ATOM 226 CG GLU A 15 57.601 -20.038 0.816 1.00 0.00 C ATOM 227 CD GLU A 15 57.224 -21.037 1.904 1.00 0.00 C ATOM 228 OE1 GLU A 15 57.345 -22.225 1.655 1.00 0.00 O ATOM 229 OE2 GLU A 15 56.820 -20.601 2.968 1.00 0.00 O ATOM 0 H GLU A 15 60.351 -20.131 -2.665 1.00 0.00 H new ATOM 0 HA GLU A 15 57.771 -19.356 -1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 15 57.830 -21.592 -0.669 1.00 0.00 H new ATOM 0 HB3 GLU A 15 59.326 -21.141 0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 15 58.193 -19.228 1.243 1.00 0.00 H new ATOM 0 HG3 GLU A 15 56.702 -19.588 0.395 1.00 0.00 H new ATOM 236 N GLY A 16 58.898 -17.509 -0.553 1.00 0.00 N ATOM 237 CA GLY A 16 59.600 -16.354 -0.010 1.00 0.00 C ATOM 238 C GLY A 16 58.673 -15.549 0.893 1.00 0.00 C ATOM 239 O GLY A 16 57.742 -14.910 0.411 1.00 0.00 O ATOM 0 H GLY A 16 57.890 -17.386 -0.652 1.00 0.00 H new ATOM 0 HA2 GLY A 16 60.473 -16.682 0.554 1.00 0.00 H new ATOM 0 HA3 GLY A 16 59.963 -15.725 -0.823 1.00 0.00 H new ATOM 243 N GLU A 17 58.929 -15.577 2.206 1.00 0.00 N ATOM 244 CA GLU A 17 58.101 -14.839 3.163 1.00 0.00 C ATOM 245 C GLU A 17 58.964 -13.886 3.978 1.00 0.00 C ATOM 246 O GLU A 17 60.103 -14.199 4.322 1.00 0.00 O ATOM 247 CB GLU A 17 57.381 -15.812 4.098 1.00 0.00 C ATOM 248 CG GLU A 17 56.412 -15.038 4.993 1.00 0.00 C ATOM 249 CD GLU A 17 55.657 -16.003 5.901 1.00 0.00 C ATOM 250 OE1 GLU A 17 56.044 -17.158 5.958 1.00 0.00 O ATOM 251 OE2 GLU A 17 54.705 -15.570 6.530 1.00 0.00 O ATOM 0 H GLU A 17 59.698 -16.099 2.627 1.00 0.00 H new ATOM 0 HA GLU A 17 57.359 -14.263 2.610 1.00 0.00 H new ATOM 0 HB2 GLU A 17 56.839 -16.558 3.516 1.00 0.00 H new ATOM 0 HB3 GLU A 17 58.106 -16.350 4.709 1.00 0.00 H new ATOM 0 HG2 GLU A 17 56.960 -14.313 5.595 1.00 0.00 H new ATOM 0 HG3 GLU A 17 55.708 -14.476 4.380 1.00 0.00 H new ATOM 258 N ILE A 18 58.411 -12.711 4.267 1.00 0.00 N ATOM 259 CA ILE A 18 59.129 -11.690 5.032 1.00 0.00 C ATOM 260 C ILE A 18 58.648 -11.668 6.477 1.00 0.00 C ATOM 261 O ILE A 18 57.459 -11.485 6.741 1.00 0.00 O ATOM 262 CB ILE A 18 58.882 -10.325 4.395 1.00 0.00 C ATOM 263 CG1 ILE A 18 59.030 -10.438 2.875 1.00 0.00 C ATOM 264 CG2 ILE A 18 59.903 -9.317 4.919 1.00 0.00 C ATOM 265 CD1 ILE A 18 58.791 -9.072 2.235 1.00 0.00 C ATOM 0 H ILE A 18 57.469 -12.440 3.984 1.00 0.00 H new ATOM 0 HA ILE A 18 60.194 -11.922 5.022 1.00 0.00 H new ATOM 0 HB ILE A 18 57.876 -9.990 4.647 1.00 0.00 H new ATOM 0 HG12 ILE A 18 60.027 -10.800 2.622 1.00 0.00 H new ATOM 0 HG13 ILE A 18 58.318 -11.164 2.483 1.00 0.00 H new ATOM 0 HG21 ILE A 18 59.722 -8.344 4.461 1.00 0.00 H new ATOM 0 HG22 ILE A 18 59.808 -9.232 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 18 60.909 -9.654 4.669 1.00 0.00 H new ATOM 0 HD11 ILE A 18 58.897 -9.154 1.153 1.00 0.00 H new ATOM 0 HD12 ILE A 18 57.785 -8.728 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 18 59.520 -8.358 2.618 1.00 0.00 H new ATOM 277 N VAL A 19 59.572 -11.876 7.413 1.00 0.00 N ATOM 278 CA VAL A 19 59.217 -11.897 8.835 1.00 0.00 C ATOM 279 C VAL A 19 59.571 -10.585 9.542 1.00 0.00 C ATOM 280 O VAL A 19 58.751 -10.045 10.283 1.00 0.00 O ATOM 281 CB VAL A 19 59.926 -13.065 9.523 1.00 0.00 C ATOM 282 CG1 VAL A 19 61.419 -12.772 9.655 1.00 0.00 C ATOM 283 CG2 VAL A 19 59.327 -13.278 10.914 1.00 0.00 C ATOM 0 H VAL A 19 60.561 -12.031 7.219 1.00 0.00 H new ATOM 0 HA VAL A 19 58.136 -12.021 8.903 1.00 0.00 H new ATOM 0 HB VAL A 19 59.791 -13.964 8.921 1.00 0.00 H new ATOM 0 HG11 VAL A 19 61.912 -13.611 10.146 1.00 0.00 H new ATOM 0 HG12 VAL A 19 61.850 -12.627 8.665 1.00 0.00 H new ATOM 0 HG13 VAL A 19 61.561 -11.869 10.249 1.00 0.00 H new ATOM 0 HG21 VAL A 19 59.832 -14.110 11.404 1.00 0.00 H new ATOM 0 HG22 VAL A 19 59.457 -12.374 11.508 1.00 0.00 H new ATOM 0 HG23 VAL A 19 58.264 -13.502 10.822 1.00 0.00 H new ATOM 293 N ARG A 20 60.796 -10.079 9.347 1.00 0.00 N ATOM 294 CA ARG A 20 61.206 -8.840 10.030 1.00 0.00 C ATOM 295 C ARG A 20 62.168 -7.978 9.202 1.00 0.00 C ATOM 296 O ARG A 20 63.136 -8.476 8.627 1.00 0.00 O ATOM 297 CB ARG A 20 61.886 -9.223 11.353 1.00 0.00 C ATOM 298 CG ARG A 20 62.259 -7.970 12.151 1.00 0.00 C ATOM 299 CD ARG A 20 62.870 -8.393 13.488 1.00 0.00 C ATOM 300 NE ARG A 20 63.143 -7.222 14.316 1.00 0.00 N ATOM 301 CZ ARG A 20 62.205 -6.691 15.095 1.00 0.00 C ATOM 302 NH1 ARG A 20 61.002 -7.196 15.113 1.00 0.00 N ATOM 303 NH2 ARG A 20 62.486 -5.653 15.835 1.00 0.00 N ATOM 0 H ARG A 20 61.504 -10.492 8.740 1.00 0.00 H new ATOM 0 HA ARG A 20 60.310 -8.241 10.191 1.00 0.00 H new ATOM 0 HB2 ARG A 20 61.218 -9.851 11.943 1.00 0.00 H new ATOM 0 HB3 ARG A 20 62.781 -9.812 11.151 1.00 0.00 H new ATOM 0 HG2 ARG A 20 62.968 -7.363 11.588 1.00 0.00 H new ATOM 0 HG3 ARG A 20 61.376 -7.354 12.319 1.00 0.00 H new ATOM 0 HD2 ARG A 20 62.189 -9.065 14.010 1.00 0.00 H new ATOM 0 HD3 ARG A 20 63.793 -8.947 13.314 1.00 0.00 H new ATOM 0 HE ARG A 20 64.072 -6.802 14.297 1.00 0.00 H new ATOM 0 HH11 ARG A 20 60.778 -8.001 14.528 1.00 0.00 H new ATOM 0 HH12 ARG A 20 60.286 -6.786 15.712 1.00 0.00 H new ATOM 0 HH21 ARG A 20 63.423 -5.251 15.815 1.00 0.00 H new ATOM 0 HH22 ARG A 20 61.768 -5.244 16.433 1.00 0.00 H new ATOM 317 N TRP A 21 61.904 -6.663 9.210 1.00 0.00 N ATOM 318 CA TRP A 21 62.751 -5.677 8.518 1.00 0.00 C ATOM 319 C TRP A 21 63.491 -4.844 9.570 1.00 0.00 C ATOM 320 O TRP A 21 62.894 -4.433 10.564 1.00 0.00 O ATOM 321 CB TRP A 21 61.900 -4.703 7.673 1.00 0.00 C ATOM 322 CG TRP A 21 61.484 -5.289 6.360 1.00 0.00 C ATOM 323 CD1 TRP A 21 60.207 -5.577 6.021 1.00 0.00 C ATOM 324 CD2 TRP A 21 62.303 -5.608 5.191 1.00 0.00 C ATOM 325 NE1 TRP A 21 60.186 -6.057 4.725 1.00 0.00 N ATOM 326 CE2 TRP A 21 61.452 -6.097 4.171 1.00 0.00 C ATOM 327 CE3 TRP A 21 63.686 -5.523 4.914 1.00 0.00 C ATOM 328 CZ2 TRP A 21 61.949 -6.482 2.929 1.00 0.00 C ATOM 329 CZ3 TRP A 21 64.186 -5.913 3.658 1.00 0.00 C ATOM 330 CH2 TRP A 21 63.318 -6.389 2.671 1.00 0.00 C ATOM 0 H TRP A 21 61.104 -6.254 9.692 1.00 0.00 H new ATOM 0 HA TRP A 21 63.439 -6.216 7.866 1.00 0.00 H new ATOM 0 HB2 TRP A 21 61.012 -4.420 8.237 1.00 0.00 H new ATOM 0 HB3 TRP A 21 62.469 -3.791 7.495 1.00 0.00 H new ATOM 0 HD1 TRP A 21 59.344 -5.452 6.659 1.00 0.00 H new ATOM 0 HE1 TRP A 21 59.339 -6.347 4.236 1.00 0.00 H new ATOM 0 HE3 TRP A 21 64.363 -5.156 5.671 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 61.278 -6.851 2.168 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 65.245 -5.844 3.456 1.00 0.00 H new ATOM 0 HH2 TRP A 21 63.707 -6.685 1.708 1.00 0.00 H new ATOM 341 N ASP A 22 64.778 -4.577 9.345 1.00 0.00 N ATOM 342 CA ASP A 22 65.562 -3.768 10.288 1.00 0.00 C ATOM 343 C ASP A 22 65.729 -2.341 9.777 1.00 0.00 C ATOM 344 O ASP A 22 66.291 -1.491 10.467 1.00 0.00 O ATOM 345 CB ASP A 22 66.940 -4.390 10.496 1.00 0.00 C ATOM 346 CG ASP A 22 67.560 -4.748 9.149 1.00 0.00 C ATOM 347 OD1 ASP A 22 66.837 -5.244 8.301 1.00 0.00 O ATOM 348 OD2 ASP A 22 68.748 -4.538 8.991 1.00 0.00 O ATOM 0 H ASP A 22 65.297 -4.903 8.530 1.00 0.00 H new ATOM 0 HA ASP A 22 65.023 -3.743 11.235 1.00 0.00 H new ATOM 0 HB2 ASP A 22 67.586 -3.692 11.029 1.00 0.00 H new ATOM 0 HB3 ASP A 22 66.855 -5.283 11.115 1.00 0.00 H new ATOM 353 N VAL A 23 65.254 -2.085 8.560 1.00 0.00 N ATOM 354 CA VAL A 23 65.366 -0.755 7.962 1.00 0.00 C ATOM 355 C VAL A 23 64.069 -0.383 7.246 1.00 0.00 C ATOM 356 O VAL A 23 63.258 -1.250 6.925 1.00 0.00 O ATOM 357 CB VAL A 23 66.538 -0.732 6.976 1.00 0.00 C ATOM 358 CG1 VAL A 23 67.847 -1.003 7.734 1.00 0.00 C ATOM 359 CG2 VAL A 23 66.346 -1.825 5.918 1.00 0.00 C ATOM 0 H VAL A 23 64.790 -2.776 7.971 1.00 0.00 H new ATOM 0 HA VAL A 23 65.546 -0.025 8.751 1.00 0.00 H new ATOM 0 HB VAL A 23 66.580 0.244 6.493 1.00 0.00 H new ATOM 0 HG11 VAL A 23 68.683 -0.987 7.034 1.00 0.00 H new ATOM 0 HG12 VAL A 23 67.994 -0.234 8.492 1.00 0.00 H new ATOM 0 HG13 VAL A 23 67.794 -1.980 8.214 1.00 0.00 H new ATOM 0 HG21 VAL A 23 67.182 -1.805 5.219 1.00 0.00 H new ATOM 0 HG22 VAL A 23 66.303 -2.799 6.405 1.00 0.00 H new ATOM 0 HG23 VAL A 23 65.416 -1.649 5.377 1.00 0.00 H new ATOM 369 N LYS A 24 63.870 0.915 7.015 1.00 0.00 N ATOM 370 CA LYS A 24 62.658 1.405 6.350 1.00 0.00 C ATOM 371 C LYS A 24 63.016 2.334 5.193 1.00 0.00 C ATOM 372 O LYS A 24 64.067 2.970 5.198 1.00 0.00 O ATOM 373 CB LYS A 24 61.800 2.169 7.365 1.00 0.00 C ATOM 374 CG LYS A 24 61.355 1.232 8.503 1.00 0.00 C ATOM 375 CD LYS A 24 60.277 0.250 8.009 1.00 0.00 C ATOM 376 CE LYS A 24 59.555 -0.372 9.210 1.00 0.00 C ATOM 377 NZ LYS A 24 60.506 -1.227 9.977 1.00 0.00 N ATOM 0 H LYS A 24 64.530 1.647 7.277 1.00 0.00 H new ATOM 0 HA LYS A 24 62.105 0.552 5.956 1.00 0.00 H new ATOM 0 HB2 LYS A 24 62.367 3.005 7.774 1.00 0.00 H new ATOM 0 HB3 LYS A 24 60.926 2.590 6.868 1.00 0.00 H new ATOM 0 HG2 LYS A 24 62.214 0.677 8.881 1.00 0.00 H new ATOM 0 HG3 LYS A 24 60.965 1.820 9.334 1.00 0.00 H new ATOM 0 HD2 LYS A 24 59.562 0.770 7.372 1.00 0.00 H new ATOM 0 HD3 LYS A 24 60.734 -0.532 7.402 1.00 0.00 H new ATOM 0 HE2 LYS A 24 59.155 0.412 9.853 1.00 0.00 H new ATOM 0 HE3 LYS A 24 58.708 -0.968 8.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 59.982 -1.779 10.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 60.994 -1.874 9.325 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 61.206 -0.625 10.455 1.00 0.00 H new ATOM 391 N GLU A 25 62.133 2.406 4.207 1.00 0.00 N ATOM 392 CA GLU A 25 62.361 3.262 3.047 1.00 0.00 C ATOM 393 C GLU A 25 62.670 4.692 3.480 1.00 0.00 C ATOM 394 O GLU A 25 62.087 5.202 4.436 1.00 0.00 O ATOM 395 CB GLU A 25 61.125 3.251 2.137 1.00 0.00 C ATOM 396 CG GLU A 25 59.894 3.702 2.928 1.00 0.00 C ATOM 397 CD GLU A 25 58.679 3.775 2.010 1.00 0.00 C ATOM 398 OE1 GLU A 25 58.543 2.904 1.167 1.00 0.00 O ATOM 399 OE2 GLU A 25 57.905 4.705 2.162 1.00 0.00 O ATOM 0 H GLU A 25 61.256 1.886 4.185 1.00 0.00 H new ATOM 0 HA GLU A 25 63.219 2.874 2.498 1.00 0.00 H new ATOM 0 HB2 GLU A 25 61.283 3.912 1.285 1.00 0.00 H new ATOM 0 HB3 GLU A 25 60.965 2.249 1.738 1.00 0.00 H new ATOM 0 HG2 GLU A 25 59.701 3.006 3.744 1.00 0.00 H new ATOM 0 HG3 GLU A 25 60.079 4.677 3.378 1.00 0.00 H new ATOM 406 N GLY A 26 63.588 5.340 2.757 1.00 0.00 N ATOM 407 CA GLY A 26 63.959 6.722 3.055 1.00 0.00 C ATOM 408 C GLY A 26 65.141 6.825 4.021 1.00 0.00 C ATOM 409 O GLY A 26 65.479 7.926 4.457 1.00 0.00 O ATOM 0 H GLY A 26 64.084 4.930 1.966 1.00 0.00 H new ATOM 0 HA2 GLY A 26 64.210 7.234 2.126 1.00 0.00 H new ATOM 0 HA3 GLY A 26 63.100 7.239 3.483 1.00 0.00 H new ATOM 413 N ASP A 27 65.772 5.693 4.363 1.00 0.00 N ATOM 414 CA ASP A 27 66.916 5.714 5.292 1.00 0.00 C ATOM 415 C ASP A 27 68.161 5.079 4.663 1.00 0.00 C ATOM 416 O ASP A 27 68.065 4.219 3.789 1.00 0.00 O ATOM 417 CB ASP A 27 66.549 4.985 6.592 1.00 0.00 C ATOM 418 CG ASP A 27 66.339 3.494 6.339 1.00 0.00 C ATOM 419 OD1 ASP A 27 66.644 3.042 5.249 1.00 0.00 O ATOM 420 OD2 ASP A 27 65.870 2.823 7.244 1.00 0.00 O ATOM 0 H ASP A 27 65.518 4.767 4.019 1.00 0.00 H new ATOM 0 HA ASP A 27 67.150 6.755 5.515 1.00 0.00 H new ATOM 0 HB2 ASP A 27 67.340 5.125 7.328 1.00 0.00 H new ATOM 0 HB3 ASP A 27 65.642 5.418 7.013 1.00 0.00 H new ATOM 425 N MET A 28 69.333 5.531 5.112 1.00 0.00 N ATOM 426 CA MET A 28 70.608 5.027 4.594 1.00 0.00 C ATOM 427 C MET A 28 71.041 3.765 5.345 1.00 0.00 C ATOM 428 O MET A 28 70.666 3.564 6.499 1.00 0.00 O ATOM 429 CB MET A 28 71.684 6.114 4.740 1.00 0.00 C ATOM 430 CG MET A 28 71.269 7.369 3.959 1.00 0.00 C ATOM 431 SD MET A 28 70.193 8.400 4.988 1.00 0.00 S ATOM 432 CE MET A 28 70.038 9.778 3.824 1.00 0.00 C ATOM 0 H MET A 28 69.427 6.246 5.834 1.00 0.00 H new ATOM 0 HA MET A 28 70.481 4.773 3.542 1.00 0.00 H new ATOM 0 HB2 MET A 28 71.824 6.360 5.793 1.00 0.00 H new ATOM 0 HB3 MET A 28 72.640 5.744 4.369 1.00 0.00 H new ATOM 0 HG2 MET A 28 72.153 7.933 3.662 1.00 0.00 H new ATOM 0 HG3 MET A 28 70.750 7.084 3.044 1.00 0.00 H new ATOM 0 HE1 MET A 28 69.403 10.550 4.257 1.00 0.00 H new ATOM 0 HE2 MET A 28 71.025 10.193 3.618 1.00 0.00 H new ATOM 0 HE3 MET A 28 69.593 9.421 2.895 1.00 0.00 H new ATOM 442 N VAL A 29 71.848 2.923 4.685 1.00 0.00 N ATOM 443 CA VAL A 29 72.344 1.689 5.312 1.00 0.00 C ATOM 444 C VAL A 29 73.819 1.481 4.973 1.00 0.00 C ATOM 445 O VAL A 29 74.277 1.857 3.894 1.00 0.00 O ATOM 446 CB VAL A 29 71.525 0.472 4.854 1.00 0.00 C ATOM 447 CG1 VAL A 29 71.492 0.384 3.326 1.00 0.00 C ATOM 448 CG2 VAL A 29 72.152 -0.807 5.417 1.00 0.00 C ATOM 0 H VAL A 29 72.169 3.070 3.728 1.00 0.00 H new ATOM 0 HA VAL A 29 72.235 1.790 6.392 1.00 0.00 H new ATOM 0 HB VAL A 29 70.505 0.583 5.222 1.00 0.00 H new ATOM 0 HG11 VAL A 29 70.907 -0.485 3.024 1.00 0.00 H new ATOM 0 HG12 VAL A 29 71.037 1.287 2.919 1.00 0.00 H new ATOM 0 HG13 VAL A 29 72.509 0.287 2.945 1.00 0.00 H new ATOM 0 HG21 VAL A 29 71.571 -1.670 5.092 1.00 0.00 H new ATOM 0 HG22 VAL A 29 73.175 -0.901 5.054 1.00 0.00 H new ATOM 0 HG23 VAL A 29 72.156 -0.761 6.506 1.00 0.00 H new ATOM 458 N GLU A 30 74.562 0.890 5.910 1.00 0.00 N ATOM 459 CA GLU A 30 75.998 0.643 5.724 1.00 0.00 C ATOM 460 C GLU A 30 76.286 -0.841 5.494 1.00 0.00 C ATOM 461 O GLU A 30 75.522 -1.707 5.921 1.00 0.00 O ATOM 462 CB GLU A 30 76.755 1.125 6.965 1.00 0.00 C ATOM 463 CG GLU A 30 76.618 2.644 7.065 1.00 0.00 C ATOM 464 CD GLU A 30 77.336 3.161 8.308 1.00 0.00 C ATOM 465 OE1 GLU A 30 77.945 2.360 8.996 1.00 0.00 O ATOM 466 OE2 GLU A 30 77.264 4.354 8.552 1.00 0.00 O ATOM 0 H GLU A 30 74.195 0.572 6.807 1.00 0.00 H new ATOM 0 HA GLU A 30 76.329 1.190 4.841 1.00 0.00 H new ATOM 0 HB2 GLU A 30 76.354 0.650 7.860 1.00 0.00 H new ATOM 0 HB3 GLU A 30 77.806 0.844 6.899 1.00 0.00 H new ATOM 0 HG2 GLU A 30 77.036 3.113 6.174 1.00 0.00 H new ATOM 0 HG3 GLU A 30 75.564 2.919 7.105 1.00 0.00 H new ATOM 473 N LYS A 31 77.407 -1.118 4.833 1.00 0.00 N ATOM 474 CA LYS A 31 77.817 -2.494 4.552 1.00 0.00 C ATOM 475 C LYS A 31 78.059 -3.252 5.858 1.00 0.00 C ATOM 476 O LYS A 31 78.634 -2.706 6.798 1.00 0.00 O ATOM 477 CB LYS A 31 79.098 -2.480 3.707 1.00 0.00 C ATOM 478 CG LYS A 31 79.475 -3.907 3.295 1.00 0.00 C ATOM 479 CD LYS A 31 80.689 -3.861 2.366 1.00 0.00 C ATOM 480 CE LYS A 31 81.044 -5.280 1.915 1.00 0.00 C ATOM 481 NZ LYS A 31 81.538 -6.060 3.086 1.00 0.00 N ATOM 0 H LYS A 31 78.049 -0.408 4.481 1.00 0.00 H new ATOM 0 HA LYS A 31 77.024 -2.999 4.001 1.00 0.00 H new ATOM 0 HB2 LYS A 31 78.950 -1.864 2.820 1.00 0.00 H new ATOM 0 HB3 LYS A 31 79.912 -2.030 4.275 1.00 0.00 H new ATOM 0 HG2 LYS A 31 79.701 -4.505 4.178 1.00 0.00 H new ATOM 0 HG3 LYS A 31 78.635 -4.386 2.792 1.00 0.00 H new ATOM 0 HD2 LYS A 31 80.473 -3.236 1.499 1.00 0.00 H new ATOM 0 HD3 LYS A 31 81.537 -3.409 2.881 1.00 0.00 H new ATOM 0 HE2 LYS A 31 80.169 -5.766 1.483 1.00 0.00 H new ATOM 0 HE3 LYS A 31 81.807 -5.247 1.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 82.043 -6.906 2.752 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 82.185 -5.470 3.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 80.732 -6.349 3.676 1.00 0.00 H new ATOM 495 N ASP A 32 77.602 -4.506 5.913 1.00 0.00 N ATOM 496 CA ASP A 32 77.764 -5.328 7.118 1.00 0.00 C ATOM 497 C ASP A 32 76.938 -4.772 8.283 1.00 0.00 C ATOM 498 O ASP A 32 77.215 -5.076 9.444 1.00 0.00 O ATOM 499 CB ASP A 32 79.243 -5.393 7.542 1.00 0.00 C ATOM 500 CG ASP A 32 79.456 -6.550 8.513 1.00 0.00 C ATOM 501 OD1 ASP A 32 78.475 -7.168 8.894 1.00 0.00 O ATOM 502 OD2 ASP A 32 80.598 -6.800 8.865 1.00 0.00 O ATOM 0 H ASP A 32 77.120 -4.973 5.144 1.00 0.00 H new ATOM 0 HA ASP A 32 77.410 -6.330 6.874 1.00 0.00 H new ATOM 0 HB2 ASP A 32 79.876 -5.522 6.664 1.00 0.00 H new ATOM 0 HB3 ASP A 32 79.537 -4.454 8.012 1.00 0.00 H new ATOM 507 N GLN A 33 75.926 -3.954 7.978 1.00 0.00 N ATOM 508 CA GLN A 33 75.077 -3.372 9.023 1.00 0.00 C ATOM 509 C GLN A 33 73.609 -3.433 8.603 1.00 0.00 C ATOM 510 O GLN A 33 73.059 -2.448 8.113 1.00 0.00 O ATOM 511 CB GLN A 33 75.483 -1.915 9.257 1.00 0.00 C ATOM 512 CG GLN A 33 74.746 -1.354 10.477 1.00 0.00 C ATOM 513 CD GLN A 33 75.219 -2.059 11.745 1.00 0.00 C ATOM 514 OE1 GLN A 33 74.404 -2.528 12.539 1.00 0.00 O ATOM 515 NE2 GLN A 33 76.498 -2.148 11.989 1.00 0.00 N ATOM 0 H GLN A 33 75.676 -3.682 7.027 1.00 0.00 H new ATOM 0 HA GLN A 33 75.206 -3.941 9.944 1.00 0.00 H new ATOM 0 HB2 GLN A 33 76.560 -1.849 9.411 1.00 0.00 H new ATOM 0 HB3 GLN A 33 75.250 -1.318 8.375 1.00 0.00 H new ATOM 0 HG2 GLN A 33 74.926 -0.282 10.559 1.00 0.00 H new ATOM 0 HG3 GLN A 33 73.671 -1.489 10.356 1.00 0.00 H new ATOM 0 HE21 GLN A 33 77.171 -1.758 11.329 1.00 0.00 H new ATOM 0 HE22 GLN A 33 76.824 -2.607 12.839 1.00 0.00 H new ATOM 524 N ASP A 34 72.976 -4.594 8.795 1.00 0.00 N ATOM 525 CA ASP A 34 71.578 -4.758 8.422 1.00 0.00 C ATOM 526 C ASP A 34 71.058 -6.114 8.888 1.00 0.00 C ATOM 527 O ASP A 34 71.360 -7.141 8.281 1.00 0.00 O ATOM 528 CB ASP A 34 71.427 -4.652 6.901 1.00 0.00 C ATOM 529 CG ASP A 34 69.953 -4.662 6.516 1.00 0.00 C ATOM 530 OD1 ASP A 34 69.267 -3.706 6.843 1.00 0.00 O ATOM 531 OD2 ASP A 34 69.530 -5.622 5.893 1.00 0.00 O ATOM 0 H ASP A 34 73.408 -5.423 9.203 1.00 0.00 H new ATOM 0 HA ASP A 34 70.998 -3.970 8.902 1.00 0.00 H new ATOM 0 HB2 ASP A 34 71.897 -3.735 6.545 1.00 0.00 H new ATOM 0 HB3 ASP A 34 71.942 -5.483 6.418 1.00 0.00 H new ATOM 536 N LEU A 35 70.264 -6.124 9.958 1.00 0.00 N ATOM 537 CA LEU A 35 69.713 -7.386 10.463 1.00 0.00 C ATOM 538 C LEU A 35 68.450 -7.742 9.687 1.00 0.00 C ATOM 539 O LEU A 35 67.368 -7.240 9.975 1.00 0.00 O ATOM 540 CB LEU A 35 69.378 -7.305 11.970 1.00 0.00 C ATOM 541 CG LEU A 35 68.790 -8.645 12.462 1.00 0.00 C ATOM 542 CD1 LEU A 35 69.768 -9.798 12.179 1.00 0.00 C ATOM 543 CD2 LEU A 35 68.539 -8.565 13.975 1.00 0.00 C ATOM 0 H LEU A 35 69.991 -5.294 10.484 1.00 0.00 H new ATOM 0 HA LEU A 35 70.472 -8.156 10.325 1.00 0.00 H new ATOM 0 HB2 LEU A 35 70.278 -7.065 12.537 1.00 0.00 H new ATOM 0 HB3 LEU A 35 68.665 -6.500 12.148 1.00 0.00 H new ATOM 0 HG LEU A 35 67.855 -8.832 11.933 1.00 0.00 H new ATOM 0 HD11 LEU A 35 69.338 -10.735 12.532 1.00 0.00 H new ATOM 0 HD12 LEU A 35 69.952 -9.864 11.107 1.00 0.00 H new ATOM 0 HD13 LEU A 35 70.709 -9.613 12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 35 68.124 -9.510 14.325 1.00 0.00 H new ATOM 0 HD22 LEU A 35 69.479 -8.369 14.490 1.00 0.00 H new ATOM 0 HD23 LEU A 35 67.835 -7.759 14.185 1.00 0.00 H new ATOM 555 N VAL A 36 68.600 -8.636 8.716 1.00 0.00 N ATOM 556 CA VAL A 36 67.475 -9.088 7.898 1.00 0.00 C ATOM 557 C VAL A 36 67.274 -10.586 8.108 1.00 0.00 C ATOM 558 O VAL A 36 68.219 -11.370 8.024 1.00 0.00 O ATOM 559 CB VAL A 36 67.754 -8.771 6.404 1.00 0.00 C ATOM 560 CG1 VAL A 36 69.267 -8.832 6.145 1.00 0.00 C ATOM 561 CG2 VAL A 36 67.044 -9.791 5.493 1.00 0.00 C ATOM 0 H VAL A 36 69.493 -9.065 8.474 1.00 0.00 H new ATOM 0 HA VAL A 36 66.565 -8.566 8.194 1.00 0.00 H new ATOM 0 HB VAL A 36 67.375 -7.774 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 36 69.466 -8.610 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 36 69.774 -8.100 6.774 1.00 0.00 H new ATOM 0 HG13 VAL A 36 69.637 -9.830 6.381 1.00 0.00 H new ATOM 0 HG21 VAL A 36 67.251 -9.553 4.450 1.00 0.00 H new ATOM 0 HG22 VAL A 36 67.409 -10.794 5.716 1.00 0.00 H new ATOM 0 HG23 VAL A 36 65.969 -9.749 5.668 1.00 0.00 H new ATOM 571 N GLU A 37 66.033 -10.966 8.388 1.00 0.00 N ATOM 572 CA GLU A 37 65.693 -12.370 8.614 1.00 0.00 C ATOM 573 C GLU A 37 64.739 -12.852 7.529 1.00 0.00 C ATOM 574 O GLU A 37 63.677 -12.265 7.328 1.00 0.00 O ATOM 575 CB GLU A 37 65.021 -12.512 9.985 1.00 0.00 C ATOM 576 CG GLU A 37 64.754 -13.988 10.281 1.00 0.00 C ATOM 577 CD GLU A 37 64.071 -14.124 11.640 1.00 0.00 C ATOM 578 OE1 GLU A 37 64.141 -13.181 12.411 1.00 0.00 O ATOM 579 OE2 GLU A 37 63.467 -15.156 11.880 1.00 0.00 O ATOM 0 H GLU A 37 65.244 -10.324 8.464 1.00 0.00 H new ATOM 0 HA GLU A 37 66.601 -12.972 8.584 1.00 0.00 H new ATOM 0 HB2 GLU A 37 65.660 -12.086 10.759 1.00 0.00 H new ATOM 0 HB3 GLU A 37 64.085 -11.953 10.001 1.00 0.00 H new ATOM 0 HG2 GLU A 37 64.124 -14.417 9.502 1.00 0.00 H new ATOM 0 HG3 GLU A 37 65.691 -14.545 10.276 1.00 0.00 H new ATOM 586 N VAL A 38 65.125 -13.920 6.826 1.00 0.00 N ATOM 587 CA VAL A 38 64.293 -14.473 5.759 1.00 0.00 C ATOM 588 C VAL A 38 64.063 -15.966 5.983 1.00 0.00 C ATOM 589 O VAL A 38 64.987 -16.705 6.342 1.00 0.00 O ATOM 590 CB VAL A 38 64.961 -14.241 4.402 1.00 0.00 C ATOM 591 CG1 VAL A 38 65.004 -12.739 4.113 1.00 0.00 C ATOM 592 CG2 VAL A 38 66.384 -14.796 4.414 1.00 0.00 C ATOM 0 H VAL A 38 66.004 -14.415 6.977 1.00 0.00 H new ATOM 0 HA VAL A 38 63.327 -13.967 5.770 1.00 0.00 H new ATOM 0 HB VAL A 38 64.388 -14.752 3.629 1.00 0.00 H new ATOM 0 HG11 VAL A 38 65.479 -12.568 3.147 1.00 0.00 H new ATOM 0 HG12 VAL A 38 63.989 -12.343 4.093 1.00 0.00 H new ATOM 0 HG13 VAL A 38 65.575 -12.235 4.893 1.00 0.00 H new ATOM 0 HG21 VAL A 38 66.849 -14.625 3.443 1.00 0.00 H new ATOM 0 HG22 VAL A 38 66.964 -14.293 5.188 1.00 0.00 H new ATOM 0 HG23 VAL A 38 66.355 -15.866 4.619 1.00 0.00 H new ATOM 602 N MET A 39 62.818 -16.401 5.772 1.00 0.00 N ATOM 603 CA MET A 39 62.444 -17.807 5.948 1.00 0.00 C ATOM 604 C MET A 39 62.028 -18.411 4.611 1.00 0.00 C ATOM 605 O MET A 39 61.384 -17.750 3.795 1.00 0.00 O ATOM 606 CB MET A 39 61.291 -17.915 6.949 1.00 0.00 C ATOM 607 CG MET A 39 60.034 -17.269 6.368 1.00 0.00 C ATOM 608 SD MET A 39 58.787 -17.111 7.669 1.00 0.00 S ATOM 609 CE MET A 39 58.564 -18.876 7.999 1.00 0.00 C ATOM 0 H MET A 39 62.050 -15.798 5.478 1.00 0.00 H new ATOM 0 HA MET A 39 63.304 -18.357 6.331 1.00 0.00 H new ATOM 0 HB2 MET A 39 61.097 -18.962 7.182 1.00 0.00 H new ATOM 0 HB3 MET A 39 61.563 -17.425 7.884 1.00 0.00 H new ATOM 0 HG2 MET A 39 60.272 -16.288 5.956 1.00 0.00 H new ATOM 0 HG3 MET A 39 59.646 -17.874 5.548 1.00 0.00 H new ATOM 0 HE1 MET A 39 57.560 -19.050 8.386 1.00 0.00 H new ATOM 0 HE2 MET A 39 58.699 -19.439 7.075 1.00 0.00 H new ATOM 0 HE3 MET A 39 59.298 -19.204 8.735 1.00 0.00 H new ATOM 619 N THR A 40 62.397 -19.671 4.382 1.00 0.00 N ATOM 620 CA THR A 40 62.057 -20.347 3.124 1.00 0.00 C ATOM 621 C THR A 40 60.893 -21.315 3.335 1.00 0.00 C ATOM 622 O THR A 40 59.813 -21.135 2.772 1.00 0.00 O ATOM 623 CB THR A 40 63.283 -21.116 2.590 1.00 0.00 C ATOM 624 OG1 THR A 40 63.209 -22.477 2.993 1.00 0.00 O ATOM 625 CG2 THR A 40 64.570 -20.499 3.146 1.00 0.00 C ATOM 0 H THR A 40 62.926 -20.242 5.041 1.00 0.00 H new ATOM 0 HA THR A 40 61.760 -19.593 2.395 1.00 0.00 H new ATOM 0 HB THR A 40 63.290 -21.054 1.502 1.00 0.00 H new ATOM 0 HG1 THR A 40 63.988 -22.962 2.651 1.00 0.00 H new ATOM 0 HG21 THR A 40 65.431 -21.048 2.764 1.00 0.00 H new ATOM 0 HG22 THR A 40 64.637 -19.456 2.835 1.00 0.00 H new ATOM 0 HG23 THR A 40 64.559 -20.553 4.235 1.00 0.00 H new ATOM 633 N ASP A 41 61.124 -22.344 4.152 1.00 0.00 N ATOM 634 CA ASP A 41 60.098 -23.355 4.453 1.00 0.00 C ATOM 635 C ASP A 41 59.968 -23.516 5.967 1.00 0.00 C ATOM 636 O ASP A 41 60.134 -24.615 6.493 1.00 0.00 O ATOM 637 CB ASP A 41 60.513 -24.696 3.844 1.00 0.00 C ATOM 638 CG ASP A 41 59.401 -25.723 4.028 1.00 0.00 C ATOM 639 OD1 ASP A 41 58.353 -25.540 3.431 1.00 0.00 O ATOM 640 OD2 ASP A 41 59.613 -26.678 4.757 1.00 0.00 O ATOM 0 H ASP A 41 62.016 -22.503 4.621 1.00 0.00 H new ATOM 0 HA ASP A 41 59.144 -23.037 4.034 1.00 0.00 H new ATOM 0 HB2 ASP A 41 60.731 -24.571 2.783 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.428 -25.051 4.317 1.00 0.00 H new ATOM 645 N LYS A 42 59.697 -22.410 6.665 1.00 0.00 N ATOM 646 CA LYS A 42 59.580 -22.443 8.122 1.00 0.00 C ATOM 647 C LYS A 42 60.968 -22.592 8.743 1.00 0.00 C ATOM 648 O LYS A 42 61.186 -23.426 9.622 1.00 0.00 O ATOM 649 CB LYS A 42 58.673 -23.606 8.569 1.00 0.00 C ATOM 650 CG LYS A 42 58.060 -23.304 9.941 1.00 0.00 C ATOM 651 CD LYS A 42 57.065 -24.407 10.302 1.00 0.00 C ATOM 652 CE LYS A 42 56.484 -24.135 11.690 1.00 0.00 C ATOM 653 NZ LYS A 42 55.705 -22.864 11.662 1.00 0.00 N ATOM 0 H LYS A 42 59.556 -21.490 6.248 1.00 0.00 H new ATOM 0 HA LYS A 42 59.130 -21.509 8.460 1.00 0.00 H new ATOM 0 HB2 LYS A 42 57.882 -23.762 7.836 1.00 0.00 H new ATOM 0 HB3 LYS A 42 59.250 -24.529 8.616 1.00 0.00 H new ATOM 0 HG2 LYS A 42 58.843 -23.243 10.697 1.00 0.00 H new ATOM 0 HG3 LYS A 42 57.558 -22.337 9.923 1.00 0.00 H new ATOM 0 HD2 LYS A 42 56.265 -24.446 9.563 1.00 0.00 H new ATOM 0 HD3 LYS A 42 57.561 -25.378 10.287 1.00 0.00 H new ATOM 0 HE2 LYS A 42 55.842 -24.961 11.995 1.00 0.00 H new ATOM 0 HE3 LYS A 42 57.286 -24.066 12.425 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 55.070 -22.828 12.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 56.359 -22.056 11.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 55.142 -22.821 10.789 1.00 0.00 H new ATOM 667 N VAL A 43 61.908 -21.776 8.263 1.00 0.00 N ATOM 668 CA VAL A 43 63.287 -21.807 8.753 1.00 0.00 C ATOM 669 C VAL A 43 63.775 -20.389 9.022 1.00 0.00 C ATOM 670 O VAL A 43 63.221 -19.424 8.496 1.00 0.00 O ATOM 671 CB VAL A 43 64.199 -22.470 7.710 1.00 0.00 C ATOM 672 CG1 VAL A 43 65.581 -22.720 8.322 1.00 0.00 C ATOM 673 CG2 VAL A 43 63.589 -23.804 7.266 1.00 0.00 C ATOM 0 H VAL A 43 61.739 -21.084 7.533 1.00 0.00 H new ATOM 0 HA VAL A 43 63.318 -22.382 9.678 1.00 0.00 H new ATOM 0 HB VAL A 43 64.297 -21.811 6.847 1.00 0.00 H new ATOM 0 HG11 VAL A 43 66.227 -23.191 7.581 1.00 0.00 H new ATOM 0 HG12 VAL A 43 66.018 -21.771 8.634 1.00 0.00 H new ATOM 0 HG13 VAL A 43 65.483 -23.376 9.187 1.00 0.00 H new ATOM 0 HG21 VAL A 43 64.238 -24.272 6.526 1.00 0.00 H new ATOM 0 HG22 VAL A 43 63.488 -24.463 8.129 1.00 0.00 H new ATOM 0 HG23 VAL A 43 62.607 -23.627 6.827 1.00 0.00 H new ATOM 683 N THR A 44 64.816 -20.267 9.845 1.00 0.00 N ATOM 684 CA THR A 44 65.377 -18.952 10.180 1.00 0.00 C ATOM 685 C THR A 44 66.848 -18.889 9.795 1.00 0.00 C ATOM 686 O THR A 44 67.684 -19.581 10.376 1.00 0.00 O ATOM 687 CB THR A 44 65.255 -18.687 11.682 1.00 0.00 C ATOM 688 OG1 THR A 44 63.909 -18.892 12.091 1.00 0.00 O ATOM 689 CG2 THR A 44 65.672 -17.248 11.987 1.00 0.00 C ATOM 0 H THR A 44 65.287 -21.054 10.291 1.00 0.00 H new ATOM 0 HA THR A 44 64.818 -18.198 9.626 1.00 0.00 H new ATOM 0 HB THR A 44 65.907 -19.371 12.225 1.00 0.00 H new ATOM 0 HG1 THR A 44 63.830 -18.724 13.053 1.00 0.00 H new ATOM 0 HG21 THR A 44 65.584 -17.063 13.058 1.00 0.00 H new ATOM 0 HG22 THR A 44 66.705 -17.095 11.676 1.00 0.00 H new ATOM 0 HG23 THR A 44 65.024 -16.559 11.445 1.00 0.00 H new ATOM 697 N VAL A 45 67.161 -18.043 8.821 1.00 0.00 N ATOM 698 CA VAL A 45 68.544 -17.875 8.364 1.00 0.00 C ATOM 699 C VAL A 45 68.906 -16.395 8.249 1.00 0.00 C ATOM 700 O VAL A 45 68.175 -15.604 7.643 1.00 0.00 O ATOM 701 CB VAL A 45 68.743 -18.565 7.007 1.00 0.00 C ATOM 702 CG1 VAL A 45 68.698 -20.086 7.190 1.00 0.00 C ATOM 703 CG2 VAL A 45 67.624 -18.146 6.052 1.00 0.00 C ATOM 0 H VAL A 45 66.481 -17.462 8.331 1.00 0.00 H new ATOM 0 HA VAL A 45 69.201 -18.336 9.102 1.00 0.00 H new ATOM 0 HB VAL A 45 69.709 -18.273 6.596 1.00 0.00 H new ATOM 0 HG11 VAL A 45 68.840 -20.573 6.225 1.00 0.00 H new ATOM 0 HG12 VAL A 45 69.491 -20.394 7.872 1.00 0.00 H new ATOM 0 HG13 VAL A 45 67.732 -20.374 7.604 1.00 0.00 H new ATOM 0 HG21 VAL A 45 67.765 -18.636 5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 45 66.661 -18.438 6.470 1.00 0.00 H new ATOM 0 HG23 VAL A 45 67.647 -17.065 5.916 1.00 0.00 H new ATOM 713 N LYS A 46 70.050 -16.035 8.834 1.00 0.00 N ATOM 714 CA LYS A 46 70.542 -14.660 8.799 1.00 0.00 C ATOM 715 C LYS A 46 71.471 -14.469 7.604 1.00 0.00 C ATOM 716 O LYS A 46 72.325 -15.313 7.332 1.00 0.00 O ATOM 717 CB LYS A 46 71.296 -14.346 10.098 1.00 0.00 C ATOM 718 CG LYS A 46 71.869 -12.925 10.048 1.00 0.00 C ATOM 719 CD LYS A 46 72.570 -12.608 11.372 1.00 0.00 C ATOM 720 CE LYS A 46 73.230 -11.230 11.283 1.00 0.00 C ATOM 721 NZ LYS A 46 72.291 -10.269 10.638 1.00 0.00 N ATOM 0 H LYS A 46 70.655 -16.682 9.340 1.00 0.00 H new ATOM 0 HA LYS A 46 69.695 -13.981 8.702 1.00 0.00 H new ATOM 0 HB2 LYS A 46 70.624 -14.445 10.950 1.00 0.00 H new ATOM 0 HB3 LYS A 46 72.102 -15.066 10.242 1.00 0.00 H new ATOM 0 HG2 LYS A 46 72.573 -12.835 9.221 1.00 0.00 H new ATOM 0 HG3 LYS A 46 71.070 -12.206 9.866 1.00 0.00 H new ATOM 0 HD2 LYS A 46 71.850 -12.626 12.190 1.00 0.00 H new ATOM 0 HD3 LYS A 46 73.320 -13.369 11.590 1.00 0.00 H new ATOM 0 HE2 LYS A 46 73.499 -10.879 12.279 1.00 0.00 H new ATOM 0 HE3 LYS A 46 74.154 -11.294 10.708 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 72.618 -10.059 9.673 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 71.340 -10.687 10.598 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 72.260 -9.389 11.192 1.00 0.00 H new ATOM 735 N ILE A 47 71.310 -13.354 6.895 1.00 0.00 N ATOM 736 CA ILE A 47 72.150 -13.063 5.728 1.00 0.00 C ATOM 737 C ILE A 47 72.609 -11.598 5.729 1.00 0.00 C ATOM 738 O ILE A 47 71.878 -10.725 5.262 1.00 0.00 O ATOM 739 CB ILE A 47 71.362 -13.337 4.438 1.00 0.00 C ATOM 740 CG1 ILE A 47 70.979 -14.819 4.380 1.00 0.00 C ATOM 741 CG2 ILE A 47 72.235 -12.979 3.229 1.00 0.00 C ATOM 742 CD1 ILE A 47 70.042 -15.061 3.194 1.00 0.00 C ATOM 0 H ILE A 47 70.612 -12.640 7.103 1.00 0.00 H new ATOM 0 HA ILE A 47 73.028 -13.707 5.777 1.00 0.00 H new ATOM 0 HB ILE A 47 70.456 -12.732 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 47 71.874 -15.433 4.280 1.00 0.00 H new ATOM 0 HG13 ILE A 47 70.491 -15.116 5.308 1.00 0.00 H new ATOM 0 HG21 ILE A 47 71.681 -13.171 2.310 1.00 0.00 H new ATOM 0 HG22 ILE A 47 72.506 -11.924 3.275 1.00 0.00 H new ATOM 0 HG23 ILE A 47 73.140 -13.587 3.241 1.00 0.00 H new ATOM 0 HD11 ILE A 47 69.770 -16.116 3.154 1.00 0.00 H new ATOM 0 HD12 ILE A 47 69.141 -14.459 3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 47 70.546 -14.781 2.269 1.00 0.00 H new ATOM 754 N PRO A 48 73.800 -11.305 6.221 1.00 0.00 N ATOM 755 CA PRO A 48 74.338 -9.908 6.238 1.00 0.00 C ATOM 756 C PRO A 48 74.371 -9.302 4.832 1.00 0.00 C ATOM 757 O PRO A 48 74.563 -10.015 3.851 1.00 0.00 O ATOM 758 CB PRO A 48 75.762 -10.062 6.821 1.00 0.00 C ATOM 759 CG PRO A 48 75.747 -11.363 7.560 1.00 0.00 C ATOM 760 CD PRO A 48 74.753 -12.261 6.823 1.00 0.00 C ATOM 0 HA PRO A 48 73.718 -9.231 6.825 1.00 0.00 H new ATOM 0 HB2 PRO A 48 76.512 -10.067 6.030 1.00 0.00 H new ATOM 0 HB3 PRO A 48 76.006 -9.234 7.487 1.00 0.00 H new ATOM 0 HG2 PRO A 48 76.740 -11.813 7.576 1.00 0.00 H new ATOM 0 HG3 PRO A 48 75.446 -11.218 8.597 1.00 0.00 H new ATOM 0 HD2 PRO A 48 75.247 -12.867 6.063 1.00 0.00 H new ATOM 0 HD3 PRO A 48 74.253 -12.950 7.504 1.00 0.00 H new ATOM 768 N SER A 49 74.152 -7.987 4.741 1.00 0.00 N ATOM 769 CA SER A 49 74.134 -7.305 3.446 1.00 0.00 C ATOM 770 C SER A 49 75.553 -6.902 3.002 1.00 0.00 C ATOM 771 O SER A 49 76.158 -6.024 3.617 1.00 0.00 O ATOM 772 CB SER A 49 73.285 -6.039 3.562 1.00 0.00 C ATOM 773 OG SER A 49 71.931 -6.393 3.810 1.00 0.00 O ATOM 0 H SER A 49 73.986 -7.378 5.543 1.00 0.00 H new ATOM 0 HA SER A 49 73.719 -7.990 2.707 1.00 0.00 H new ATOM 0 HB2 SER A 49 73.661 -5.410 4.369 1.00 0.00 H new ATOM 0 HB3 SER A 49 73.357 -5.456 2.644 1.00 0.00 H new ATOM 0 HG SER A 49 71.389 -5.580 3.886 1.00 0.00 H new ATOM 779 N PRO A 50 76.095 -7.485 1.949 1.00 0.00 N ATOM 780 CA PRO A 50 77.455 -7.120 1.449 1.00 0.00 C ATOM 781 C PRO A 50 77.389 -5.924 0.506 1.00 0.00 C ATOM 782 O PRO A 50 78.231 -5.766 -0.377 1.00 0.00 O ATOM 783 CB PRO A 50 77.888 -8.376 0.691 1.00 0.00 C ATOM 784 CG PRO A 50 76.618 -8.932 0.126 1.00 0.00 C ATOM 785 CD PRO A 50 75.502 -8.557 1.116 1.00 0.00 C ATOM 0 HA PRO A 50 78.141 -6.833 2.246 1.00 0.00 H new ATOM 0 HB2 PRO A 50 78.602 -8.137 -0.098 1.00 0.00 H new ATOM 0 HB3 PRO A 50 78.374 -9.092 1.354 1.00 0.00 H new ATOM 0 HG2 PRO A 50 76.417 -8.516 -0.861 1.00 0.00 H new ATOM 0 HG3 PRO A 50 76.686 -10.014 0.009 1.00 0.00 H new ATOM 0 HD2 PRO A 50 74.610 -8.209 0.596 1.00 0.00 H new ATOM 0 HD3 PRO A 50 75.204 -9.413 1.722 1.00 0.00 H new ATOM 793 N VAL A 51 76.347 -5.114 0.671 1.00 0.00 N ATOM 794 CA VAL A 51 76.127 -3.962 -0.199 1.00 0.00 C ATOM 795 C VAL A 51 75.741 -2.716 0.600 1.00 0.00 C ATOM 796 O VAL A 51 75.216 -2.815 1.710 1.00 0.00 O ATOM 797 CB VAL A 51 75.009 -4.333 -1.167 1.00 0.00 C ATOM 798 CG1 VAL A 51 75.494 -5.477 -2.051 1.00 0.00 C ATOM 799 CG2 VAL A 51 73.799 -4.808 -0.363 1.00 0.00 C ATOM 0 H VAL A 51 75.642 -5.234 1.398 1.00 0.00 H new ATOM 0 HA VAL A 51 77.047 -3.722 -0.732 1.00 0.00 H new ATOM 0 HB VAL A 51 74.736 -3.473 -1.778 1.00 0.00 H new ATOM 0 HG11 VAL A 51 74.706 -5.756 -2.750 1.00 0.00 H new ATOM 0 HG12 VAL A 51 76.376 -5.159 -2.606 1.00 0.00 H new ATOM 0 HG13 VAL A 51 75.747 -6.335 -1.429 1.00 0.00 H new ATOM 0 HG21 VAL A 51 72.992 -5.076 -1.045 1.00 0.00 H new ATOM 0 HG22 VAL A 51 74.076 -5.678 0.232 1.00 0.00 H new ATOM 0 HG23 VAL A 51 73.465 -4.008 0.298 1.00 0.00 H new ATOM 809 N ARG A 52 75.996 -1.539 0.019 1.00 0.00 N ATOM 810 CA ARG A 52 75.670 -0.268 0.668 1.00 0.00 C ATOM 811 C ARG A 52 75.257 0.769 -0.375 1.00 0.00 C ATOM 812 O ARG A 52 75.763 0.765 -1.497 1.00 0.00 O ATOM 813 CB ARG A 52 76.891 0.240 1.450 1.00 0.00 C ATOM 814 CG ARG A 52 78.057 0.475 0.481 1.00 0.00 C ATOM 815 CD ARG A 52 79.281 0.964 1.255 1.00 0.00 C ATOM 816 NE ARG A 52 80.395 1.204 0.341 1.00 0.00 N ATOM 817 CZ ARG A 52 81.224 0.222 -0.009 1.00 0.00 C ATOM 818 NH1 ARG A 52 81.053 -0.980 0.472 1.00 0.00 N ATOM 819 NH2 ARG A 52 82.212 0.466 -0.825 1.00 0.00 N ATOM 0 H ARG A 52 76.427 -1.442 -0.900 1.00 0.00 H new ATOM 0 HA ARG A 52 74.838 -0.425 1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 52 76.644 1.166 1.970 1.00 0.00 H new ATOM 0 HB3 ARG A 52 77.177 -0.486 2.211 1.00 0.00 H new ATOM 0 HG2 ARG A 52 78.294 -0.448 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG A 52 77.774 1.210 -0.272 1.00 0.00 H new ATOM 0 HD2 ARG A 52 79.038 1.881 1.792 1.00 0.00 H new ATOM 0 HD3 ARG A 52 79.567 0.224 2.002 1.00 0.00 H new ATOM 0 HE ARG A 52 80.541 2.141 -0.036 1.00 0.00 H new ATOM 0 HH11 ARG A 52 80.284 -1.167 1.116 1.00 0.00 H new ATOM 0 HH12 ARG A 52 81.688 -1.732 0.204 1.00 0.00 H new ATOM 0 HH21 ARG A 52 82.348 1.407 -1.194 1.00 0.00 H new ATOM 0 HH22 ARG A 52 82.848 -0.284 -1.094 1.00 0.00 H new ATOM 833 N GLY A 53 74.341 1.660 -0.005 1.00 0.00 N ATOM 834 CA GLY A 53 73.890 2.694 -0.932 1.00 0.00 C ATOM 835 C GLY A 53 72.654 3.412 -0.394 1.00 0.00 C ATOM 836 O GLY A 53 72.621 3.815 0.769 1.00 0.00 O ATOM 0 H GLY A 53 73.902 1.688 0.915 1.00 0.00 H new ATOM 0 HA2 GLY A 53 74.691 3.415 -1.096 1.00 0.00 H new ATOM 0 HA3 GLY A 53 73.662 2.246 -1.899 1.00 0.00 H new ATOM 840 N LYS A 54 71.635 3.570 -1.246 1.00 0.00 N ATOM 841 CA LYS A 54 70.396 4.246 -0.843 1.00 0.00 C ATOM 842 C LYS A 54 69.187 3.392 -1.202 1.00 0.00 C ATOM 843 O LYS A 54 69.208 2.657 -2.188 1.00 0.00 O ATOM 844 CB LYS A 54 70.279 5.600 -1.556 1.00 0.00 C ATOM 845 CG LYS A 54 71.357 6.552 -1.035 1.00 0.00 C ATOM 846 CD LYS A 54 71.248 7.887 -1.774 1.00 0.00 C ATOM 847 CE LYS A 54 72.252 8.890 -1.201 1.00 0.00 C ATOM 848 NZ LYS A 54 73.602 8.608 -1.767 1.00 0.00 N ATOM 0 H LYS A 54 71.643 3.242 -2.212 1.00 0.00 H new ATOM 0 HA LYS A 54 70.425 4.400 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 54 70.388 5.466 -2.632 1.00 0.00 H new ATOM 0 HB3 LYS A 54 69.290 6.027 -1.387 1.00 0.00 H new ATOM 0 HG2 LYS A 54 71.236 6.705 0.037 1.00 0.00 H new ATOM 0 HG3 LYS A 54 72.346 6.119 -1.186 1.00 0.00 H new ATOM 0 HD2 LYS A 54 71.437 7.739 -2.837 1.00 0.00 H new ATOM 0 HD3 LYS A 54 70.236 8.281 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 54 71.947 9.908 -1.445 1.00 0.00 H new ATOM 0 HE3 LYS A 54 72.278 8.817 -0.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 74.289 9.287 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 73.890 7.642 -1.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 73.570 8.699 -2.803 1.00 0.00 H new ATOM 862 N ILE A 55 68.131 3.494 -0.394 1.00 0.00 N ATOM 863 CA ILE A 55 66.910 2.728 -0.632 1.00 0.00 C ATOM 864 C ILE A 55 65.883 3.629 -1.320 1.00 0.00 C ATOM 865 O ILE A 55 65.523 4.682 -0.793 1.00 0.00 O ATOM 866 CB ILE A 55 66.364 2.226 0.716 1.00 0.00 C ATOM 867 CG1 ILE A 55 67.529 1.785 1.621 1.00 0.00 C ATOM 868 CG2 ILE A 55 65.429 1.033 0.489 1.00 0.00 C ATOM 869 CD1 ILE A 55 68.371 0.709 0.926 1.00 0.00 C ATOM 0 H ILE A 55 68.098 4.097 0.428 1.00 0.00 H new ATOM 0 HA ILE A 55 67.117 1.871 -1.273 1.00 0.00 H new ATOM 0 HB ILE A 55 65.814 3.036 1.195 1.00 0.00 H new ATOM 0 HG12 ILE A 55 68.154 2.644 1.863 1.00 0.00 H new ATOM 0 HG13 ILE A 55 67.140 1.398 2.563 1.00 0.00 H new ATOM 0 HG21 ILE A 55 65.046 0.683 1.448 1.00 0.00 H new ATOM 0 HG22 ILE A 55 64.596 1.339 -0.144 1.00 0.00 H new ATOM 0 HG23 ILE A 55 65.979 0.228 0.002 1.00 0.00 H new ATOM 0 HD11 ILE A 55 69.190 0.409 1.580 1.00 0.00 H new ATOM 0 HD12 ILE A 55 67.746 -0.157 0.707 1.00 0.00 H new ATOM 0 HD13 ILE A 55 68.777 1.108 -0.003 1.00 0.00 H new ATOM 881 N VAL A 56 65.449 3.234 -2.519 1.00 0.00 N ATOM 882 CA VAL A 56 64.497 4.044 -3.286 1.00 0.00 C ATOM 883 C VAL A 56 63.061 3.881 -2.775 1.00 0.00 C ATOM 884 O VAL A 56 62.376 4.876 -2.538 1.00 0.00 O ATOM 885 CB VAL A 56 64.575 3.673 -4.786 1.00 0.00 C ATOM 886 CG1 VAL A 56 63.343 4.198 -5.538 1.00 0.00 C ATOM 887 CG2 VAL A 56 65.825 4.307 -5.411 1.00 0.00 C ATOM 0 H VAL A 56 65.737 2.369 -2.976 1.00 0.00 H new ATOM 0 HA VAL A 56 64.773 5.090 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 56 64.617 2.587 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 56 63.417 3.927 -6.591 1.00 0.00 H new ATOM 0 HG12 VAL A 56 62.442 3.757 -5.112 1.00 0.00 H new ATOM 0 HG13 VAL A 56 63.295 5.283 -5.445 1.00 0.00 H new ATOM 0 HG21 VAL A 56 65.877 4.044 -6.467 1.00 0.00 H new ATOM 0 HG22 VAL A 56 65.773 5.391 -5.309 1.00 0.00 H new ATOM 0 HG23 VAL A 56 66.714 3.937 -4.901 1.00 0.00 H new ATOM 897 N LYS A 57 62.598 2.640 -2.630 1.00 0.00 N ATOM 898 CA LYS A 57 61.225 2.416 -2.176 1.00 0.00 C ATOM 899 C LYS A 57 60.963 0.939 -1.913 1.00 0.00 C ATOM 900 O LYS A 57 61.606 0.068 -2.494 1.00 0.00 O ATOM 901 CB LYS A 57 60.243 2.926 -3.240 1.00 0.00 C ATOM 902 CG LYS A 57 58.804 2.793 -2.733 1.00 0.00 C ATOM 903 CD LYS A 57 57.840 3.380 -3.764 1.00 0.00 C ATOM 904 CE LYS A 57 56.405 3.260 -3.246 1.00 0.00 C ATOM 905 NZ LYS A 57 55.468 3.872 -4.230 1.00 0.00 N ATOM 0 H LYS A 57 63.137 1.794 -2.815 1.00 0.00 H new ATOM 0 HA LYS A 57 61.083 2.961 -1.243 1.00 0.00 H new ATOM 0 HB2 LYS A 57 60.459 3.968 -3.476 1.00 0.00 H new ATOM 0 HB3 LYS A 57 60.366 2.358 -4.162 1.00 0.00 H new ATOM 0 HG2 LYS A 57 58.566 1.744 -2.554 1.00 0.00 H new ATOM 0 HG3 LYS A 57 58.694 3.312 -1.781 1.00 0.00 H new ATOM 0 HD2 LYS A 57 58.084 4.426 -3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 57 57.941 2.854 -4.713 1.00 0.00 H new ATOM 0 HE2 LYS A 57 56.150 2.212 -3.089 1.00 0.00 H new ATOM 0 HE3 LYS A 57 56.313 3.759 -2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 54.493 3.790 -3.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 55.707 4.876 -4.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 55.550 3.377 -5.141 1.00 0.00 H new ATOM 919 N ILE A 58 60.004 0.662 -1.034 1.00 0.00 N ATOM 920 CA ILE A 58 59.649 -0.712 -0.691 1.00 0.00 C ATOM 921 C ILE A 58 58.367 -1.129 -1.421 1.00 0.00 C ATOM 922 O ILE A 58 57.294 -0.572 -1.193 1.00 0.00 O ATOM 923 CB ILE A 58 59.476 -0.796 0.831 1.00 0.00 C ATOM 924 CG1 ILE A 58 59.579 -2.254 1.291 1.00 0.00 C ATOM 925 CG2 ILE A 58 58.126 -0.194 1.260 1.00 0.00 C ATOM 926 CD1 ILE A 58 59.077 -2.395 2.737 1.00 0.00 C ATOM 0 H ILE A 58 59.458 1.372 -0.546 1.00 0.00 H new ATOM 0 HA ILE A 58 60.436 -1.397 -1.004 1.00 0.00 H new ATOM 0 HB ILE A 58 60.272 -0.219 1.303 1.00 0.00 H new ATOM 0 HG12 ILE A 58 58.992 -2.893 0.631 1.00 0.00 H new ATOM 0 HG13 ILE A 58 60.613 -2.591 1.224 1.00 0.00 H new ATOM 0 HG21 ILE A 58 58.024 -0.264 2.343 1.00 0.00 H new ATOM 0 HG22 ILE A 58 58.082 0.852 0.958 1.00 0.00 H new ATOM 0 HG23 ILE A 58 57.315 -0.744 0.783 1.00 0.00 H new ATOM 0 HD11 ILE A 58 59.156 -3.436 3.050 1.00 0.00 H new ATOM 0 HD12 ILE A 58 59.682 -1.771 3.395 1.00 0.00 H new ATOM 0 HD13 ILE A 58 58.036 -2.078 2.793 1.00 0.00 H new ATOM 938 N LEU A 59 58.496 -2.102 -2.316 1.00 0.00 N ATOM 939 CA LEU A 59 57.348 -2.575 -3.088 1.00 0.00 C ATOM 940 C LEU A 59 56.311 -3.262 -2.199 1.00 0.00 C ATOM 941 O LEU A 59 55.111 -3.069 -2.387 1.00 0.00 O ATOM 942 CB LEU A 59 57.808 -3.535 -4.196 1.00 0.00 C ATOM 943 CG LEU A 59 58.583 -2.761 -5.275 1.00 0.00 C ATOM 944 CD1 LEU A 59 59.269 -3.766 -6.214 1.00 0.00 C ATOM 945 CD2 LEU A 59 57.632 -1.859 -6.089 1.00 0.00 C ATOM 0 H LEU A 59 59.374 -2.576 -2.525 1.00 0.00 H new ATOM 0 HA LEU A 59 56.876 -1.703 -3.539 1.00 0.00 H new ATOM 0 HB2 LEU A 59 58.440 -4.316 -3.773 1.00 0.00 H new ATOM 0 HB3 LEU A 59 56.945 -4.030 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 59 59.328 -2.128 -4.792 1.00 0.00 H new ATOM 0 HD11 LEU A 59 59.822 -3.227 -6.983 1.00 0.00 H new ATOM 0 HD12 LEU A 59 59.957 -4.388 -5.641 1.00 0.00 H new ATOM 0 HD13 LEU A 59 58.515 -4.398 -6.684 1.00 0.00 H new ATOM 0 HD21 LEU A 59 58.201 -1.321 -6.847 1.00 0.00 H new ATOM 0 HD22 LEU A 59 56.873 -2.474 -6.574 1.00 0.00 H new ATOM 0 HD23 LEU A 59 57.149 -1.145 -5.422 1.00 0.00 H new ATOM 957 N TYR A 60 56.768 -4.080 -1.244 1.00 0.00 N ATOM 958 CA TYR A 60 55.841 -4.798 -0.361 1.00 0.00 C ATOM 959 C TYR A 60 56.355 -4.822 1.085 1.00 0.00 C ATOM 960 O TYR A 60 57.564 -4.834 1.319 1.00 0.00 O ATOM 961 CB TYR A 60 55.688 -6.241 -0.860 1.00 0.00 C ATOM 962 CG TYR A 60 55.664 -6.269 -2.378 1.00 0.00 C ATOM 963 CD1 TYR A 60 54.491 -5.932 -3.075 1.00 0.00 C ATOM 964 CD2 TYR A 60 56.816 -6.641 -3.101 1.00 0.00 C ATOM 965 CE1 TYR A 60 54.473 -5.966 -4.476 1.00 0.00 C ATOM 966 CE2 TYR A 60 56.792 -6.674 -4.498 1.00 0.00 C ATOM 967 CZ TYR A 60 55.622 -6.337 -5.185 1.00 0.00 C ATOM 968 OH TYR A 60 55.602 -6.370 -6.565 1.00 0.00 O ATOM 0 H TYR A 60 57.756 -4.260 -1.064 1.00 0.00 H new ATOM 0 HA TYR A 60 54.881 -4.281 -0.378 1.00 0.00 H new ATOM 0 HB2 TYR A 60 56.512 -6.851 -0.490 1.00 0.00 H new ATOM 0 HB3 TYR A 60 54.769 -6.675 -0.466 1.00 0.00 H new ATOM 0 HD1 TYR A 60 53.603 -5.647 -2.531 1.00 0.00 H new ATOM 0 HD2 TYR A 60 57.721 -6.902 -2.573 1.00 0.00 H new ATOM 0 HE1 TYR A 60 53.571 -5.706 -5.010 1.00 0.00 H new ATOM 0 HE2 TYR A 60 57.677 -6.960 -5.047 1.00 0.00 H new ATOM 0 HH TYR A 60 56.481 -6.647 -6.898 1.00 0.00 H new ATOM 978 N ARG A 61 55.428 -4.862 2.050 1.00 0.00 N ATOM 979 CA ARG A 61 55.786 -4.915 3.469 1.00 0.00 C ATOM 980 C ARG A 61 55.449 -6.287 4.061 1.00 0.00 C ATOM 981 O ARG A 61 55.184 -7.243 3.331 1.00 0.00 O ATOM 982 CB ARG A 61 55.036 -3.821 4.237 1.00 0.00 C ATOM 983 CG ARG A 61 53.524 -4.054 4.138 1.00 0.00 C ATOM 984 CD ARG A 61 52.788 -2.945 4.891 1.00 0.00 C ATOM 985 NE ARG A 61 51.343 -3.150 4.806 1.00 0.00 N ATOM 986 CZ ARG A 61 50.697 -3.916 5.682 1.00 0.00 C ATOM 987 NH1 ARG A 61 51.356 -4.509 6.641 1.00 0.00 N ATOM 988 NH2 ARG A 61 49.405 -4.074 5.589 1.00 0.00 N ATOM 0 H ARG A 61 54.424 -4.859 1.872 1.00 0.00 H new ATOM 0 HA ARG A 61 56.860 -4.751 3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 61 55.345 -3.822 5.282 1.00 0.00 H new ATOM 0 HB3 ARG A 61 55.289 -2.842 3.831 1.00 0.00 H new ATOM 0 HG2 ARG A 61 53.215 -4.066 3.093 1.00 0.00 H new ATOM 0 HG3 ARG A 61 53.267 -5.026 4.558 1.00 0.00 H new ATOM 0 HD2 ARG A 61 53.100 -2.935 5.935 1.00 0.00 H new ATOM 0 HD3 ARG A 61 53.050 -1.974 4.471 1.00 0.00 H new ATOM 0 HE ARG A 61 50.818 -2.696 4.059 1.00 0.00 H new ATOM 0 HH11 ARG A 61 52.365 -4.385 6.719 1.00 0.00 H new ATOM 0 HH12 ARG A 61 50.861 -5.096 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 61 48.887 -3.610 4.843 1.00 0.00 H new ATOM 0 HH22 ARG A 61 48.913 -4.662 6.262 1.00 0.00 H new ATOM 1002 N GLU A 62 55.468 -6.365 5.388 1.00 0.00 N ATOM 1003 CA GLU A 62 55.172 -7.615 6.097 1.00 0.00 C ATOM 1004 C GLU A 62 53.830 -8.206 5.666 1.00 0.00 C ATOM 1005 O GLU A 62 52.916 -7.478 5.276 1.00 0.00 O ATOM 1006 CB GLU A 62 55.150 -7.367 7.608 1.00 0.00 C ATOM 1007 CG GLU A 62 56.569 -7.085 8.103 1.00 0.00 C ATOM 1008 CD GLU A 62 56.553 -6.834 9.607 1.00 0.00 C ATOM 1009 OE1 GLU A 62 55.492 -6.956 10.196 1.00 0.00 O ATOM 1010 OE2 GLU A 62 57.603 -6.530 10.148 1.00 0.00 O ATOM 0 H GLU A 62 55.685 -5.578 5.999 1.00 0.00 H new ATOM 0 HA GLU A 62 55.957 -8.328 5.845 1.00 0.00 H new ATOM 0 HB2 GLU A 62 54.499 -6.523 7.839 1.00 0.00 H new ATOM 0 HB3 GLU A 62 54.740 -8.236 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 62 57.218 -7.930 7.873 1.00 0.00 H new ATOM 0 HG3 GLU A 62 56.979 -6.218 7.585 1.00 0.00 H new ATOM 1017 N GLY A 63 53.721 -9.539 5.744 1.00 0.00 N ATOM 1018 CA GLY A 63 52.476 -10.231 5.363 1.00 0.00 C ATOM 1019 C GLY A 63 52.543 -10.775 3.937 1.00 0.00 C ATOM 1020 O GLY A 63 51.545 -11.255 3.401 1.00 0.00 O ATOM 0 H GLY A 63 54.468 -10.156 6.063 1.00 0.00 H new ATOM 0 HA2 GLY A 63 52.289 -11.051 6.056 1.00 0.00 H new ATOM 0 HA3 GLY A 63 51.636 -9.542 5.450 1.00 0.00 H new ATOM 1024 N GLN A 64 53.712 -10.673 3.308 1.00 0.00 N ATOM 1025 CA GLN A 64 53.873 -11.135 1.923 1.00 0.00 C ATOM 1026 C GLN A 64 54.506 -12.527 1.837 1.00 0.00 C ATOM 1027 O GLN A 64 55.505 -12.816 2.495 1.00 0.00 O ATOM 1028 CB GLN A 64 54.737 -10.129 1.153 1.00 0.00 C ATOM 1029 CG GLN A 64 54.959 -10.612 -0.283 1.00 0.00 C ATOM 1030 CD GLN A 64 55.686 -9.540 -1.083 1.00 0.00 C ATOM 1031 OE1 GLN A 64 56.791 -9.139 -0.724 1.00 0.00 O ATOM 1032 NE2 GLN A 64 55.116 -9.038 -2.145 1.00 0.00 N ATOM 0 H GLN A 64 54.555 -10.280 3.726 1.00 0.00 H new ATOM 0 HA GLN A 64 52.879 -11.206 1.482 1.00 0.00 H new ATOM 0 HB2 GLN A 64 54.252 -9.153 1.145 1.00 0.00 H new ATOM 0 HB3 GLN A 64 55.697 -10.004 1.655 1.00 0.00 H new ATOM 0 HG2 GLN A 64 55.541 -11.534 -0.280 1.00 0.00 H new ATOM 0 HG3 GLN A 64 54.002 -10.841 -0.751 1.00 0.00 H new ATOM 0 HE21 GLN A 64 54.199 -9.374 -2.439 1.00 0.00 H new ATOM 0 HE22 GLN A 64 55.588 -8.310 -2.681 1.00 0.00 H new ATOM 1041 N VAL A 65 53.926 -13.371 0.978 1.00 0.00 N ATOM 1042 CA VAL A 65 54.433 -14.728 0.740 1.00 0.00 C ATOM 1043 C VAL A 65 54.262 -15.063 -0.746 1.00 0.00 C ATOM 1044 O VAL A 65 53.143 -15.081 -1.253 1.00 0.00 O ATOM 1045 CB VAL A 65 53.679 -15.747 1.614 1.00 0.00 C ATOM 1046 CG1 VAL A 65 52.169 -15.494 1.549 1.00 0.00 C ATOM 1047 CG2 VAL A 65 53.978 -17.171 1.129 1.00 0.00 C ATOM 0 H VAL A 65 53.098 -13.136 0.431 1.00 0.00 H new ATOM 0 HA VAL A 65 55.489 -14.777 1.007 1.00 0.00 H new ATOM 0 HB VAL A 65 54.014 -15.634 2.645 1.00 0.00 H new ATOM 0 HG11 VAL A 65 51.651 -16.223 2.172 1.00 0.00 H new ATOM 0 HG12 VAL A 65 51.953 -14.489 1.910 1.00 0.00 H new ATOM 0 HG13 VAL A 65 51.828 -15.590 0.518 1.00 0.00 H new ATOM 0 HG21 VAL A 65 53.442 -17.887 1.751 1.00 0.00 H new ATOM 0 HG22 VAL A 65 53.656 -17.278 0.093 1.00 0.00 H new ATOM 0 HG23 VAL A 65 55.049 -17.361 1.197 1.00 0.00 H new ATOM 1057 N VAL A 66 55.374 -15.286 -1.457 1.00 0.00 N ATOM 1058 CA VAL A 66 55.303 -15.565 -2.902 1.00 0.00 C ATOM 1059 C VAL A 66 56.435 -16.505 -3.373 1.00 0.00 C ATOM 1060 O VAL A 66 57.570 -16.361 -2.917 1.00 0.00 O ATOM 1061 CB VAL A 66 55.460 -14.233 -3.647 1.00 0.00 C ATOM 1062 CG1 VAL A 66 55.007 -14.371 -5.100 1.00 0.00 C ATOM 1063 CG2 VAL A 66 54.622 -13.151 -2.968 1.00 0.00 C ATOM 0 H VAL A 66 56.317 -15.280 -1.068 1.00 0.00 H new ATOM 0 HA VAL A 66 54.349 -16.050 -3.108 1.00 0.00 H new ATOM 0 HB VAL A 66 56.514 -13.955 -3.624 1.00 0.00 H new ATOM 0 HG11 VAL A 66 55.126 -13.415 -5.611 1.00 0.00 H new ATOM 0 HG12 VAL A 66 55.612 -15.128 -5.600 1.00 0.00 H new ATOM 0 HG13 VAL A 66 53.959 -14.669 -5.128 1.00 0.00 H new ATOM 0 HG21 VAL A 66 54.740 -12.209 -3.504 1.00 0.00 H new ATOM 0 HG22 VAL A 66 53.572 -13.445 -2.977 1.00 0.00 H new ATOM 0 HG23 VAL A 66 54.955 -13.026 -1.938 1.00 0.00 H new ATOM 1073 N PRO A 67 56.188 -17.424 -4.307 1.00 0.00 N ATOM 1074 CA PRO A 67 57.275 -18.312 -4.839 1.00 0.00 C ATOM 1075 C PRO A 67 58.453 -17.509 -5.405 1.00 0.00 C ATOM 1076 O PRO A 67 58.274 -16.426 -5.960 1.00 0.00 O ATOM 1077 CB PRO A 67 56.590 -19.134 -5.949 1.00 0.00 C ATOM 1078 CG PRO A 67 55.129 -19.075 -5.646 1.00 0.00 C ATOM 1079 CD PRO A 67 54.881 -17.742 -4.935 1.00 0.00 C ATOM 0 HA PRO A 67 57.703 -18.934 -4.053 1.00 0.00 H new ATOM 0 HB2 PRO A 67 56.804 -18.718 -6.934 1.00 0.00 H new ATOM 0 HB3 PRO A 67 56.949 -20.163 -5.953 1.00 0.00 H new ATOM 0 HG2 PRO A 67 54.541 -19.141 -6.561 1.00 0.00 H new ATOM 0 HG3 PRO A 67 54.831 -19.912 -5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 67 54.575 -16.966 -5.637 1.00 0.00 H new ATOM 0 HD3 PRO A 67 54.090 -17.828 -4.190 1.00 0.00 H new ATOM 1087 N VAL A 68 59.654 -18.062 -5.248 1.00 0.00 N ATOM 1088 CA VAL A 68 60.876 -17.413 -5.731 1.00 0.00 C ATOM 1089 C VAL A 68 60.730 -16.946 -7.177 1.00 0.00 C ATOM 1090 O VAL A 68 60.305 -17.705 -8.049 1.00 0.00 O ATOM 1091 CB VAL A 68 62.038 -18.413 -5.654 1.00 0.00 C ATOM 1092 CG1 VAL A 68 61.779 -19.568 -6.633 1.00 0.00 C ATOM 1093 CG2 VAL A 68 63.344 -17.717 -6.049 1.00 0.00 C ATOM 0 H VAL A 68 59.809 -18.960 -4.789 1.00 0.00 H new ATOM 0 HA VAL A 68 61.067 -16.542 -5.104 1.00 0.00 H new ATOM 0 HB VAL A 68 62.117 -18.794 -4.636 1.00 0.00 H new ATOM 0 HG11 VAL A 68 62.602 -20.280 -6.581 1.00 0.00 H new ATOM 0 HG12 VAL A 68 60.848 -20.069 -6.367 1.00 0.00 H new ATOM 0 HG13 VAL A 68 61.702 -19.175 -7.647 1.00 0.00 H new ATOM 0 HG21 VAL A 68 64.167 -18.429 -5.993 1.00 0.00 H new ATOM 0 HG22 VAL A 68 63.261 -17.338 -7.067 1.00 0.00 H new ATOM 0 HG23 VAL A 68 63.535 -16.888 -5.368 1.00 0.00 H new ATOM 1103 N GLY A 69 61.104 -15.691 -7.427 1.00 0.00 N ATOM 1104 CA GLY A 69 61.037 -15.122 -8.778 1.00 0.00 C ATOM 1105 C GLY A 69 60.487 -13.698 -8.767 1.00 0.00 C ATOM 1106 O GLY A 69 59.569 -13.380 -9.524 1.00 0.00 O ATOM 0 H GLY A 69 61.456 -15.049 -6.716 1.00 0.00 H new ATOM 0 HA2 GLY A 69 62.032 -15.124 -9.223 1.00 0.00 H new ATOM 0 HA3 GLY A 69 60.406 -15.751 -9.406 1.00 0.00 H new ATOM 1110 N SER A 70 61.053 -12.831 -7.928 1.00 0.00 N ATOM 1111 CA SER A 70 60.591 -11.445 -7.876 1.00 0.00 C ATOM 1112 C SER A 70 61.580 -10.546 -7.141 1.00 0.00 C ATOM 1113 O SER A 70 62.383 -11.011 -6.331 1.00 0.00 O ATOM 1114 CB SER A 70 59.234 -11.364 -7.185 1.00 0.00 C ATOM 1115 OG SER A 70 58.848 -10.001 -7.076 1.00 0.00 O ATOM 0 H SER A 70 61.815 -13.056 -7.289 1.00 0.00 H new ATOM 0 HA SER A 70 60.506 -11.095 -8.905 1.00 0.00 H new ATOM 0 HB2 SER A 70 58.489 -11.921 -7.753 1.00 0.00 H new ATOM 0 HB3 SER A 70 59.288 -11.820 -6.196 1.00 0.00 H new ATOM 0 HG SER A 70 57.975 -9.943 -6.634 1.00 0.00 H new ATOM 1121 N THR A 71 61.506 -9.246 -7.428 1.00 0.00 N ATOM 1122 CA THR A 71 62.386 -8.273 -6.785 1.00 0.00 C ATOM 1123 C THR A 71 61.744 -7.750 -5.509 1.00 0.00 C ATOM 1124 O THR A 71 60.579 -7.359 -5.506 1.00 0.00 O ATOM 1125 CB THR A 71 62.653 -7.101 -7.728 1.00 0.00 C ATOM 1126 OG1 THR A 71 61.418 -6.595 -8.218 1.00 0.00 O ATOM 1127 CG2 THR A 71 63.512 -7.574 -8.896 1.00 0.00 C ATOM 0 H THR A 71 60.849 -8.845 -8.098 1.00 0.00 H new ATOM 0 HA THR A 71 63.327 -8.766 -6.543 1.00 0.00 H new ATOM 0 HB THR A 71 63.178 -6.312 -7.189 1.00 0.00 H new ATOM 0 HG1 THR A 71 60.774 -6.535 -7.482 1.00 0.00 H new ATOM 0 HG21 THR A 71 63.703 -6.738 -9.569 1.00 0.00 H new ATOM 0 HG22 THR A 71 64.459 -7.959 -8.518 1.00 0.00 H new ATOM 0 HG23 THR A 71 62.989 -8.363 -9.436 1.00 0.00 H new ATOM 1135 N LEU A 72 62.502 -7.750 -4.417 1.00 0.00 N ATOM 1136 CA LEU A 72 61.969 -7.276 -3.137 1.00 0.00 C ATOM 1137 C LEU A 72 62.299 -5.805 -2.903 1.00 0.00 C ATOM 1138 O LEU A 72 61.708 -5.170 -2.029 1.00 0.00 O ATOM 1139 CB LEU A 72 62.546 -8.100 -1.986 1.00 0.00 C ATOM 1140 CG LEU A 72 62.469 -9.597 -2.318 1.00 0.00 C ATOM 1141 CD1 LEU A 72 62.872 -10.424 -1.090 1.00 0.00 C ATOM 1142 CD2 LEU A 72 61.044 -9.967 -2.765 1.00 0.00 C ATOM 0 H LEU A 72 63.471 -8.066 -4.387 1.00 0.00 H new ATOM 0 HA LEU A 72 60.886 -7.391 -3.174 1.00 0.00 H new ATOM 0 HB2 LEU A 72 63.582 -7.812 -1.806 1.00 0.00 H new ATOM 0 HB3 LEU A 72 61.994 -7.894 -1.069 1.00 0.00 H new ATOM 0 HG LEU A 72 63.158 -9.817 -3.134 1.00 0.00 H new ATOM 0 HD11 LEU A 72 62.815 -11.485 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 72 63.892 -10.172 -0.800 1.00 0.00 H new ATOM 0 HD13 LEU A 72 62.195 -10.203 -0.265 1.00 0.00 H new ATOM 0 HD21 LEU A 72 61.000 -11.031 -2.998 1.00 0.00 H new ATOM 0 HD22 LEU A 72 60.341 -9.742 -1.963 1.00 0.00 H new ATOM 0 HD23 LEU A 72 60.779 -9.390 -3.651 1.00 0.00 H new ATOM 1154 N LEU A 73 63.244 -5.256 -3.662 1.00 0.00 N ATOM 1155 CA LEU A 73 63.614 -3.853 -3.470 1.00 0.00 C ATOM 1156 C LEU A 73 64.556 -3.383 -4.583 1.00 0.00 C ATOM 1157 O LEU A 73 65.401 -4.145 -5.053 1.00 0.00 O ATOM 1158 CB LEU A 73 64.300 -3.697 -2.088 1.00 0.00 C ATOM 1159 CG LEU A 73 63.948 -2.360 -1.419 1.00 0.00 C ATOM 1160 CD1 LEU A 73 64.706 -2.259 -0.090 1.00 0.00 C ATOM 1161 CD2 LEU A 73 64.348 -1.188 -2.324 1.00 0.00 C ATOM 0 H LEU A 73 63.756 -5.743 -4.397 1.00 0.00 H new ATOM 0 HA LEU A 73 62.715 -3.237 -3.507 1.00 0.00 H new ATOM 0 HB2 LEU A 73 63.998 -4.518 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 73 65.381 -3.768 -2.210 1.00 0.00 H new ATOM 0 HG LEU A 73 62.873 -2.316 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 73 64.465 -1.313 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 73 64.414 -3.085 0.559 1.00 0.00 H new ATOM 0 HD13 LEU A 73 65.779 -2.307 -0.278 1.00 0.00 H new ATOM 0 HD21 LEU A 73 64.092 -0.248 -1.836 1.00 0.00 H new ATOM 0 HD22 LEU A 73 65.422 -1.221 -2.508 1.00 0.00 H new ATOM 0 HD23 LEU A 73 63.815 -1.262 -3.272 1.00 0.00 H new ATOM 1173 N GLN A 74 64.429 -2.114 -4.973 1.00 0.00 N ATOM 1174 CA GLN A 74 65.309 -1.535 -6.004 1.00 0.00 C ATOM 1175 C GLN A 74 66.323 -0.630 -5.313 1.00 0.00 C ATOM 1176 O GLN A 74 65.949 0.227 -4.512 1.00 0.00 O ATOM 1177 CB GLN A 74 64.488 -0.739 -7.040 1.00 0.00 C ATOM 1178 CG GLN A 74 63.961 -1.673 -8.143 1.00 0.00 C ATOM 1179 CD GLN A 74 63.105 -0.887 -9.129 1.00 0.00 C ATOM 1180 OE1 GLN A 74 63.018 0.339 -9.040 1.00 0.00 O ATOM 1181 NE2 GLN A 74 62.459 -1.521 -10.071 1.00 0.00 N ATOM 0 H GLN A 74 63.734 -1.468 -4.598 1.00 0.00 H new ATOM 0 HA GLN A 74 65.825 -2.332 -6.539 1.00 0.00 H new ATOM 0 HB2 GLN A 74 63.653 -0.242 -6.547 1.00 0.00 H new ATOM 0 HB3 GLN A 74 65.108 0.042 -7.482 1.00 0.00 H new ATOM 0 HG2 GLN A 74 64.796 -2.139 -8.666 1.00 0.00 H new ATOM 0 HG3 GLN A 74 63.374 -2.477 -7.700 1.00 0.00 H new ATOM 0 HE21 GLN A 74 62.531 -2.536 -10.145 1.00 0.00 H new ATOM 0 HE22 GLN A 74 61.883 -1.001 -10.733 1.00 0.00 H new ATOM 1190 N ILE A 75 67.613 -0.846 -5.592 1.00 0.00 N ATOM 1191 CA ILE A 75 68.674 -0.069 -4.946 1.00 0.00 C ATOM 1192 C ILE A 75 69.648 0.511 -5.962 1.00 0.00 C ATOM 1193 O ILE A 75 70.215 -0.206 -6.786 1.00 0.00 O ATOM 1194 CB ILE A 75 69.420 -0.989 -3.976 1.00 0.00 C ATOM 1195 CG1 ILE A 75 68.459 -1.438 -2.867 1.00 0.00 C ATOM 1196 CG2 ILE A 75 70.610 -0.254 -3.352 1.00 0.00 C ATOM 1197 CD1 ILE A 75 69.052 -2.608 -2.085 1.00 0.00 C ATOM 0 H ILE A 75 67.945 -1.546 -6.255 1.00 0.00 H new ATOM 0 HA ILE A 75 68.223 0.770 -4.415 1.00 0.00 H new ATOM 0 HB ILE A 75 69.790 -1.856 -4.522 1.00 0.00 H new ATOM 0 HG12 ILE A 75 68.260 -0.606 -2.192 1.00 0.00 H new ATOM 0 HG13 ILE A 75 67.504 -1.731 -3.302 1.00 0.00 H new ATOM 0 HG21 ILE A 75 71.130 -0.921 -2.665 1.00 0.00 H new ATOM 0 HG22 ILE A 75 71.295 0.063 -4.138 1.00 0.00 H new ATOM 0 HG23 ILE A 75 70.253 0.620 -2.808 1.00 0.00 H new ATOM 0 HD11 ILE A 75 68.357 -2.913 -1.303 1.00 0.00 H new ATOM 0 HD12 ILE A 75 69.228 -3.445 -2.760 1.00 0.00 H new ATOM 0 HD13 ILE A 75 69.995 -2.302 -1.633 1.00 0.00 H new ATOM 1209 N ASP A 76 69.850 1.821 -5.871 1.00 0.00 N ATOM 1210 CA ASP A 76 70.779 2.516 -6.758 1.00 0.00 C ATOM 1211 C ASP A 76 72.181 2.490 -6.161 1.00 0.00 C ATOM 1212 O ASP A 76 72.360 2.722 -4.966 1.00 0.00 O ATOM 1213 CB ASP A 76 70.341 3.970 -6.956 1.00 0.00 C ATOM 1214 CG ASP A 76 69.035 4.024 -7.741 1.00 0.00 C ATOM 1215 OD1 ASP A 76 68.682 3.021 -8.339 1.00 0.00 O ATOM 1216 OD2 ASP A 76 68.413 5.073 -7.742 1.00 0.00 O ATOM 0 H ASP A 76 69.384 2.424 -5.193 1.00 0.00 H new ATOM 0 HA ASP A 76 70.781 2.009 -7.723 1.00 0.00 H new ATOM 0 HB2 ASP A 76 70.212 4.454 -5.988 1.00 0.00 H new ATOM 0 HB3 ASP A 76 71.116 4.522 -7.487 1.00 0.00 H new ATOM 1221 N THR A 77 73.172 2.208 -6.998 1.00 0.00 N ATOM 1222 CA THR A 77 74.557 2.154 -6.542 1.00 0.00 C ATOM 1223 C THR A 77 75.180 3.546 -6.557 1.00 0.00 C ATOM 1224 O THR A 77 75.564 4.013 -5.498 1.00 0.00 O ATOM 1225 CB THR A 77 75.363 1.219 -7.449 1.00 0.00 C ATOM 1226 OG1 THR A 77 74.707 -0.038 -7.533 1.00 0.00 O ATOM 1227 CG2 THR A 77 76.769 1.031 -6.879 1.00 0.00 C ATOM 1228 OXT THR A 77 75.255 4.130 -7.627 1.00 0.00 O ATOM 0 H THR A 77 73.044 2.014 -7.991 1.00 0.00 H new ATOM 0 HA THR A 77 74.573 1.775 -5.520 1.00 0.00 H new ATOM 0 HB THR A 77 75.438 1.656 -8.445 1.00 0.00 H new ATOM 0 HG1 THR A 77 75.221 -0.637 -8.114 1.00 0.00 H new ATOM 0 HG21 THR A 77 77.338 0.365 -7.527 1.00 0.00 H new ATOM 0 HG22 THR A 77 77.270 1.997 -6.821 1.00 0.00 H new ATOM 0 HG23 THR A 77 76.702 0.596 -5.882 1.00 0.00 H new TER 1236 THR A 77