USER MOD reduce.3.24.130724 H: found=0, std=0, add=711, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 708 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 18 ASN : amide:sc= 0.448 K(o=0.56,f=-5.1!) USER MOD Set 1.2: A 19 THR OG1 : rot 65:sc= 0.109 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -150:sc= 0.0422 USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 7:sc= 0.121 USER MOD Single : A 42 MET CE :methyl -160:sc= -0.0558 (180deg=-0.537) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot -52:sc= 0.269 USER MOD Single : A 48 ASN : amide:sc= -0.0585 X(o=-0.059,f=-0.059) USER MOD Single : A 49 LYS NZ :NH3+ 173:sc= 1.22 (180deg=1.15) USER MOD Single : A 50 SER OG : rot -129:sc= 1.12 USER MOD Single : A 57 THR OG1 : rot -60:sc= 0.582 USER MOD Single : A 60 SER OG : rot 180:sc= 0.567 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 MET CE :methyl 154:sc= -0.157 (180deg=-0.791) USER MOD Single : A 72 ASN : amide:sc= 0.0381 X(o=0.038,f=-0.06) USER MOD Single : A 74 LYS NZ :NH3+ 179:sc= 1.29 (180deg=1.27) USER MOD Single : A 75 SER OG : rot 19:sc= 0.0735 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0166) USER MOD Single : A 85 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 87 THR OG1 : rot 180:sc= 0.152 USER MOD Single : A 88 LYS NZ :NH3+ -140:sc= 0.937 (180deg=0.114) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -5.553 28.687 -7.322 1.00 0.00 N ATOM 2 CA GLY A 1 -6.764 29.512 -7.338 1.00 0.00 C ATOM 3 C GLY A 1 -7.923 28.720 -6.771 1.00 0.00 C ATOM 4 O GLY A 1 -7.934 28.452 -5.572 1.00 0.00 O ATOM 0 H1 GLY A 1 -4.757 29.231 -7.712 1.00 0.00 H new ATOM 0 H2 GLY A 1 -5.336 28.408 -6.344 1.00 0.00 H new ATOM 0 H3 GLY A 1 -5.705 27.835 -7.899 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.607 30.418 -6.752 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -6.989 29.827 -8.357 1.00 0.00 H new ATOM 8 N HIS A 2 -8.903 28.351 -7.599 1.00 0.00 N ATOM 9 CA HIS A 2 -9.912 27.372 -7.218 1.00 0.00 C ATOM 10 C HIS A 2 -9.204 26.037 -6.972 1.00 0.00 C ATOM 11 O HIS A 2 -8.285 25.686 -7.721 1.00 0.00 O ATOM 12 CB HIS A 2 -10.967 27.253 -8.326 1.00 0.00 C ATOM 13 CG HIS A 2 -12.051 26.254 -8.008 1.00 0.00 C ATOM 14 ND1 HIS A 2 -12.035 24.920 -8.344 1.00 0.00 N ATOM 15 CD2 HIS A 2 -13.210 26.494 -7.317 1.00 0.00 C ATOM 16 CE1 HIS A 2 -13.168 24.370 -7.878 1.00 0.00 C ATOM 17 NE2 HIS A 2 -13.909 25.286 -7.233 1.00 0.00 N ATOM 0 H HIS A 2 -9.015 28.721 -8.543 1.00 0.00 H new ATOM 0 HA HIS A 2 -10.429 27.679 -6.309 1.00 0.00 H new ATOM 0 HB2 HIS A 2 -11.420 28.230 -8.494 1.00 0.00 H new ATOM 0 HB3 HIS A 2 -10.477 26.964 -9.256 1.00 0.00 H new ATOM 0 HD2 HIS A 2 -13.526 27.444 -6.911 1.00 0.00 H new ATOM 0 HE1 HIS A 2 -13.445 23.334 -8.004 1.00 0.00 H new ATOM 0 HE2 HIS A 2 -14.806 25.131 -6.772 1.00 0.00 H new ATOM 25 N MET A 3 -9.642 25.311 -5.946 1.00 0.00 N ATOM 26 CA MET A 3 -9.128 24.014 -5.527 1.00 0.00 C ATOM 27 C MET A 3 -10.324 23.067 -5.481 1.00 0.00 C ATOM 28 O MET A 3 -11.458 23.507 -5.279 1.00 0.00 O ATOM 29 CB MET A 3 -8.484 24.120 -4.135 1.00 0.00 C ATOM 30 CG MET A 3 -7.409 25.202 -4.016 1.00 0.00 C ATOM 31 SD MET A 3 -6.783 25.397 -2.329 1.00 0.00 S ATOM 32 CE MET A 3 -5.704 26.830 -2.573 1.00 0.00 C ATOM 0 H MET A 3 -10.408 25.632 -5.353 1.00 0.00 H new ATOM 0 HA MET A 3 -8.365 23.654 -6.216 1.00 0.00 H new ATOM 0 HB2 MET A 3 -9.265 24.319 -3.401 1.00 0.00 H new ATOM 0 HB3 MET A 3 -8.043 23.157 -3.878 1.00 0.00 H new ATOM 0 HG2 MET A 3 -6.579 24.956 -4.679 1.00 0.00 H new ATOM 0 HG3 MET A 3 -7.819 26.153 -4.357 1.00 0.00 H new ATOM 0 HE1 MET A 3 -5.230 27.094 -1.628 1.00 0.00 H new ATOM 0 HE2 MET A 3 -4.937 26.587 -3.308 1.00 0.00 H new ATOM 0 HE3 MET A 3 -6.295 27.674 -2.930 1.00 0.00 H new ATOM 42 N VAL A 4 -10.097 21.771 -5.662 1.00 0.00 N ATOM 43 CA VAL A 4 -11.144 20.769 -5.812 1.00 0.00 C ATOM 44 C VAL A 4 -10.660 19.441 -5.204 1.00 0.00 C ATOM 45 O VAL A 4 -11.018 18.360 -5.672 1.00 0.00 O ATOM 46 CB VAL A 4 -11.562 20.742 -7.305 1.00 0.00 C ATOM 47 CG1 VAL A 4 -10.498 20.151 -8.246 1.00 0.00 C ATOM 48 CG2 VAL A 4 -12.921 20.076 -7.530 1.00 0.00 C ATOM 0 H VAL A 4 -9.157 21.379 -5.710 1.00 0.00 H new ATOM 0 HA VAL A 4 -12.054 20.999 -5.258 1.00 0.00 H new ATOM 0 HB VAL A 4 -11.658 21.794 -7.573 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -10.869 20.169 -9.271 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -9.585 20.743 -8.180 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -10.286 19.122 -7.955 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -13.160 20.087 -8.593 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -12.884 19.045 -7.177 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -13.689 20.621 -6.980 1.00 0.00 H new ATOM 58 N GLU A 5 -9.820 19.507 -4.165 1.00 0.00 N ATOM 59 CA GLU A 5 -9.104 18.391 -3.569 1.00 0.00 C ATOM 60 C GLU A 5 -9.479 18.290 -2.087 1.00 0.00 C ATOM 61 O GLU A 5 -8.937 18.974 -1.214 1.00 0.00 O ATOM 62 CB GLU A 5 -7.604 18.422 -3.896 1.00 0.00 C ATOM 63 CG GLU A 5 -6.834 19.684 -3.489 1.00 0.00 C ATOM 64 CD GLU A 5 -6.713 20.798 -4.539 1.00 0.00 C ATOM 65 OE1 GLU A 5 -7.464 20.857 -5.541 1.00 0.00 O ATOM 66 OE2 GLU A 5 -5.826 21.661 -4.351 1.00 0.00 O ATOM 0 H GLU A 5 -9.616 20.391 -3.698 1.00 0.00 H new ATOM 0 HA GLU A 5 -9.417 17.449 -4.019 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -7.133 17.566 -3.413 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -7.488 18.285 -4.971 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -7.314 20.103 -2.605 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -5.828 19.386 -3.194 1.00 0.00 H new ATOM 73 N ALA A 6 -10.507 17.488 -1.816 1.00 0.00 N ATOM 74 CA ALA A 6 -11.188 17.394 -0.521 1.00 0.00 C ATOM 75 C ALA A 6 -10.797 16.173 0.320 1.00 0.00 C ATOM 76 O ALA A 6 -11.490 15.808 1.269 1.00 0.00 O ATOM 77 CB ALA A 6 -12.701 17.471 -0.757 1.00 0.00 C ATOM 0 H ALA A 6 -10.905 16.862 -2.516 1.00 0.00 H new ATOM 0 HA ALA A 6 -10.857 18.238 0.084 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -13.222 17.402 0.198 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -12.947 18.418 -1.237 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -13.011 16.647 -1.400 1.00 0.00 H new ATOM 83 N ASP A 7 -9.694 15.532 -0.039 1.00 0.00 N ATOM 84 CA ASP A 7 -9.139 14.368 0.651 1.00 0.00 C ATOM 85 C ASP A 7 -7.626 14.280 0.410 1.00 0.00 C ATOM 86 O ASP A 7 -7.111 14.868 -0.554 1.00 0.00 O ATOM 87 CB ASP A 7 -9.842 13.115 0.124 1.00 0.00 C ATOM 88 CG ASP A 7 -9.548 11.847 0.925 1.00 0.00 C ATOM 89 OD1 ASP A 7 -9.055 11.918 2.077 1.00 0.00 O ATOM 90 OD2 ASP A 7 -9.785 10.764 0.350 1.00 0.00 O ATOM 0 H ASP A 7 -9.139 15.815 -0.846 1.00 0.00 H new ATOM 0 HA ASP A 7 -9.301 14.457 1.725 1.00 0.00 H new ATOM 0 HB2 ASP A 7 -10.918 13.289 0.123 1.00 0.00 H new ATOM 0 HB3 ASP A 7 -9.544 12.954 -0.912 1.00 0.00 H new ATOM 95 N ARG A 8 -6.907 13.511 1.234 1.00 0.00 N ATOM 96 CA ARG A 8 -5.466 13.260 1.114 1.00 0.00 C ATOM 97 C ARG A 8 -5.081 11.783 1.385 1.00 0.00 C ATOM 98 O ARG A 8 -4.332 11.505 2.324 1.00 0.00 O ATOM 99 CB ARG A 8 -4.708 14.232 2.032 1.00 0.00 C ATOM 100 CG ARG A 8 -5.091 14.050 3.514 1.00 0.00 C ATOM 101 CD ARG A 8 -3.886 13.874 4.456 1.00 0.00 C ATOM 102 NE ARG A 8 -2.880 14.937 4.321 1.00 0.00 N ATOM 103 CZ ARG A 8 -1.620 14.898 4.770 1.00 0.00 C ATOM 104 NH1 ARG A 8 -1.213 13.934 5.593 1.00 0.00 N ATOM 105 NH2 ARG A 8 -0.776 15.854 4.402 1.00 0.00 N ATOM 0 H ARG A 8 -7.326 13.030 2.030 1.00 0.00 H new ATOM 0 HA ARG A 8 -5.175 13.441 0.079 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -3.635 14.079 1.914 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -4.919 15.257 1.727 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -5.669 14.916 3.838 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -5.741 13.180 3.606 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -4.240 13.848 5.486 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -3.416 12.911 4.256 1.00 0.00 H new ATOM 0 HE ARG A 8 -3.171 15.787 3.838 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -1.865 13.209 5.891 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -0.249 13.920 5.925 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -1.091 16.603 3.786 1.00 0.00 H new ATOM 0 HH22 ARG A 8 0.188 15.839 4.735 1.00 0.00 H new ATOM 119 N PRO A 9 -5.571 10.804 0.611 1.00 0.00 N ATOM 120 CA PRO A 9 -5.487 9.387 0.955 1.00 0.00 C ATOM 121 C PRO A 9 -4.137 8.753 0.557 1.00 0.00 C ATOM 122 O PRO A 9 -4.070 7.733 -0.120 1.00 0.00 O ATOM 123 CB PRO A 9 -6.689 8.759 0.260 1.00 0.00 C ATOM 124 CG PRO A 9 -6.827 9.591 -1.010 1.00 0.00 C ATOM 125 CD PRO A 9 -6.462 10.989 -0.512 1.00 0.00 C ATOM 0 HA PRO A 9 -5.519 9.220 2.032 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -6.520 7.706 0.036 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -7.586 8.814 0.877 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -6.155 9.249 -1.797 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -7.838 9.553 -1.415 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -5.979 11.568 -1.299 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -7.354 11.540 -0.213 1.00 0.00 H new ATOM 133 N GLY A 10 -3.053 9.381 0.995 1.00 0.00 N ATOM 134 CA GLY A 10 -1.663 9.003 0.731 1.00 0.00 C ATOM 135 C GLY A 10 -1.292 7.597 1.205 1.00 0.00 C ATOM 136 O GLY A 10 -0.493 6.904 0.564 1.00 0.00 O ATOM 0 H GLY A 10 -3.120 10.216 1.577 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.477 9.073 -0.341 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.004 9.723 1.217 1.00 0.00 H new ATOM 140 N LYS A 11 -1.862 7.175 2.335 1.00 0.00 N ATOM 141 CA LYS A 11 -1.714 5.832 2.870 1.00 0.00 C ATOM 142 C LYS A 11 -2.727 4.918 2.206 1.00 0.00 C ATOM 143 O LYS A 11 -3.917 5.248 2.186 1.00 0.00 O ATOM 144 CB LYS A 11 -2.019 5.820 4.367 1.00 0.00 C ATOM 145 CG LYS A 11 -0.999 6.568 5.230 1.00 0.00 C ATOM 146 CD LYS A 11 -1.196 6.174 6.693 1.00 0.00 C ATOM 147 CE LYS A 11 -2.490 6.782 7.261 1.00 0.00 C ATOM 148 NZ LYS A 11 -2.235 7.764 8.332 1.00 0.00 N ATOM 0 H LYS A 11 -2.451 7.775 2.912 1.00 0.00 H new ATOM 0 HA LYS A 11 -0.692 5.501 2.686 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -3.003 6.260 4.528 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -2.073 4.785 4.705 1.00 0.00 H new ATOM 0 HG2 LYS A 11 0.014 6.326 4.909 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -1.123 7.644 5.111 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -1.233 5.088 6.779 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -0.343 6.511 7.282 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -3.044 7.264 6.456 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -3.122 5.983 7.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -3.140 8.142 8.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -1.730 7.301 9.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -1.655 8.542 7.959 1.00 0.00 H new ATOM 162 N LEU A 12 -2.272 3.736 1.797 1.00 0.00 N ATOM 163 CA LEU A 12 -3.094 2.694 1.188 1.00 0.00 C ATOM 164 C LEU A 12 -3.115 1.443 2.062 1.00 0.00 C ATOM 165 O LEU A 12 -2.596 1.441 3.180 1.00 0.00 O ATOM 166 CB LEU A 12 -2.597 2.376 -0.235 1.00 0.00 C ATOM 167 CG LEU A 12 -2.741 3.502 -1.274 1.00 0.00 C ATOM 168 CD1 LEU A 12 -2.603 2.870 -2.661 1.00 0.00 C ATOM 169 CD2 LEU A 12 -4.082 4.246 -1.215 1.00 0.00 C ATOM 0 H LEU A 12 -1.291 3.469 1.883 1.00 0.00 H new ATOM 0 HA LEU A 12 -4.117 3.061 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.545 2.097 -0.176 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -3.138 1.503 -0.599 1.00 0.00 H new ATOM 0 HG LEU A 12 -1.969 4.240 -1.058 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -2.700 3.642 -3.424 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -1.626 2.394 -2.749 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -3.384 2.123 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -4.101 5.023 -1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -4.896 3.543 -1.391 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -4.202 4.701 -0.232 1.00 0.00 H new ATOM 181 N PHE A 13 -3.730 0.374 1.559 1.00 0.00 N ATOM 182 CA PHE A 13 -3.773 -0.945 2.157 1.00 0.00 C ATOM 183 C PHE A 13 -3.697 -1.961 1.017 1.00 0.00 C ATOM 184 O PHE A 13 -4.363 -1.766 0.000 1.00 0.00 O ATOM 185 CB PHE A 13 -5.088 -1.046 2.934 1.00 0.00 C ATOM 186 CG PHE A 13 -5.184 -2.231 3.864 1.00 0.00 C ATOM 187 CD1 PHE A 13 -4.601 -2.162 5.141 1.00 0.00 C ATOM 188 CD2 PHE A 13 -5.874 -3.388 3.469 1.00 0.00 C ATOM 189 CE1 PHE A 13 -4.725 -3.246 6.025 1.00 0.00 C ATOM 190 CE2 PHE A 13 -5.994 -4.472 4.354 1.00 0.00 C ATOM 191 CZ PHE A 13 -5.420 -4.403 5.635 1.00 0.00 C ATOM 0 H PHE A 13 -4.237 0.415 0.675 1.00 0.00 H new ATOM 0 HA PHE A 13 -2.949 -1.135 2.845 1.00 0.00 H new ATOM 0 HB2 PHE A 13 -5.221 -0.134 3.516 1.00 0.00 H new ATOM 0 HB3 PHE A 13 -5.912 -1.093 2.222 1.00 0.00 H new ATOM 0 HD1 PHE A 13 -4.059 -1.278 5.442 1.00 0.00 H new ATOM 0 HD2 PHE A 13 -6.313 -3.445 2.484 1.00 0.00 H new ATOM 0 HE1 PHE A 13 -4.284 -3.190 7.009 1.00 0.00 H new ATOM 0 HE2 PHE A 13 -6.528 -5.360 4.050 1.00 0.00 H new ATOM 0 HZ PHE A 13 -5.513 -5.236 6.317 1.00 0.00 H new ATOM 201 N ILE A 14 -2.856 -2.991 1.136 1.00 0.00 N ATOM 202 CA ILE A 14 -2.601 -3.990 0.106 1.00 0.00 C ATOM 203 C ILE A 14 -2.693 -5.362 0.769 1.00 0.00 C ATOM 204 O ILE A 14 -2.120 -5.585 1.838 1.00 0.00 O ATOM 205 CB ILE A 14 -1.226 -3.730 -0.538 1.00 0.00 C ATOM 206 CG1 ILE A 14 -1.184 -2.382 -1.296 1.00 0.00 C ATOM 207 CG2 ILE A 14 -0.912 -4.827 -1.565 1.00 0.00 C ATOM 208 CD1 ILE A 14 -0.701 -1.159 -0.519 1.00 0.00 C ATOM 0 H ILE A 14 -2.316 -3.155 1.986 1.00 0.00 H new ATOM 0 HA ILE A 14 -3.334 -3.940 -0.700 1.00 0.00 H new ATOM 0 HB ILE A 14 -0.500 -3.717 0.275 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -0.541 -2.504 -2.167 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -2.187 -2.172 -1.667 1.00 0.00 H new ATOM 0 HG21 ILE A 14 0.062 -4.636 -2.016 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -0.898 -5.797 -1.068 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.677 -4.828 -2.341 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -0.722 -0.284 -1.168 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -1.354 -0.991 0.337 1.00 0.00 H new ATOM 0 HD13 ILE A 14 0.318 -1.328 -0.171 1.00 0.00 H new ATOM 220 N GLY A 15 -3.384 -6.292 0.114 1.00 0.00 N ATOM 221 CA GLY A 15 -3.604 -7.652 0.577 1.00 0.00 C ATOM 222 C GLY A 15 -3.542 -8.634 -0.587 1.00 0.00 C ATOM 223 O GLY A 15 -3.170 -8.258 -1.702 1.00 0.00 O ATOM 0 H GLY A 15 -3.821 -6.107 -0.789 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.852 -7.914 1.321 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.575 -7.722 1.067 1.00 0.00 H new ATOM 227 N GLY A 16 -3.845 -9.906 -0.320 1.00 0.00 N ATOM 228 CA GLY A 16 -3.749 -10.999 -1.286 1.00 0.00 C ATOM 229 C GLY A 16 -2.334 -11.234 -1.823 1.00 0.00 C ATOM 230 O GLY A 16 -2.185 -11.883 -2.859 1.00 0.00 O ATOM 0 H GLY A 16 -4.172 -10.211 0.597 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.106 -11.916 -0.818 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -4.414 -10.789 -2.124 1.00 0.00 H new ATOM 234 N LEU A 17 -1.303 -10.692 -1.166 1.00 0.00 N ATOM 235 CA LEU A 17 0.072 -10.686 -1.660 1.00 0.00 C ATOM 236 C LEU A 17 0.695 -12.076 -1.636 1.00 0.00 C ATOM 237 O LEU A 17 0.163 -13.029 -1.054 1.00 0.00 O ATOM 238 CB LEU A 17 0.950 -9.715 -0.849 1.00 0.00 C ATOM 239 CG LEU A 17 0.605 -8.231 -1.027 1.00 0.00 C ATOM 240 CD1 LEU A 17 1.480 -7.430 -0.069 1.00 0.00 C ATOM 241 CD2 LEU A 17 0.843 -7.773 -2.469 1.00 0.00 C ATOM 0 H LEU A 17 -1.406 -10.237 -0.259 1.00 0.00 H new ATOM 0 HA LEU A 17 0.027 -10.350 -2.696 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.866 -9.968 0.208 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.992 -9.867 -1.132 1.00 0.00 H new ATOM 0 HG LEU A 17 -0.451 -8.073 -0.809 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.256 -6.368 -0.173 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.280 -7.744 0.955 1.00 0.00 H new ATOM 0 HD13 LEU A 17 2.530 -7.604 -0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.589 -6.717 -2.562 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.892 -7.918 -2.729 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.218 -8.357 -3.144 1.00 0.00 H new ATOM 253 N ASN A 18 1.870 -12.152 -2.253 1.00 0.00 N ATOM 254 CA ASN A 18 2.780 -13.275 -2.171 1.00 0.00 C ATOM 255 C ASN A 18 3.334 -13.409 -0.750 1.00 0.00 C ATOM 256 O ASN A 18 3.197 -12.527 0.100 1.00 0.00 O ATOM 257 CB ASN A 18 3.908 -13.020 -3.181 1.00 0.00 C ATOM 258 CG ASN A 18 4.731 -14.219 -3.603 1.00 0.00 C ATOM 259 OD1 ASN A 18 4.630 -15.309 -3.055 1.00 0.00 O ATOM 260 ND2 ASN A 18 5.580 -14.031 -4.589 1.00 0.00 N ATOM 0 H ASN A 18 2.222 -11.400 -2.846 1.00 0.00 H new ATOM 0 HA ASN A 18 2.269 -14.209 -2.405 1.00 0.00 H new ATOM 0 HB2 ASN A 18 3.469 -12.577 -4.075 1.00 0.00 H new ATOM 0 HB3 ASN A 18 4.583 -12.277 -2.756 1.00 0.00 H new ATOM 0 HD21 ASN A 18 6.168 -14.800 -4.909 1.00 0.00 H new ATOM 0 HD22 ASN A 18 5.650 -13.116 -5.034 1.00 0.00 H new ATOM 267 N THR A 19 4.027 -14.510 -0.518 1.00 0.00 N ATOM 268 CA THR A 19 4.776 -14.839 0.680 1.00 0.00 C ATOM 269 C THR A 19 6.238 -14.380 0.563 1.00 0.00 C ATOM 270 O THR A 19 6.999 -14.455 1.529 1.00 0.00 O ATOM 271 CB THR A 19 4.664 -16.365 0.910 1.00 0.00 C ATOM 272 OG1 THR A 19 4.248 -17.082 -0.252 1.00 0.00 O ATOM 273 CG2 THR A 19 3.634 -16.643 2.006 1.00 0.00 C ATOM 0 H THR A 19 4.084 -15.252 -1.215 1.00 0.00 H new ATOM 0 HA THR A 19 4.362 -14.313 1.540 1.00 0.00 H new ATOM 0 HB THR A 19 5.663 -16.703 1.186 1.00 0.00 H new ATOM 0 HG1 THR A 19 4.934 -17.003 -0.948 1.00 0.00 H new ATOM 0 HG21 THR A 19 3.556 -17.718 2.167 1.00 0.00 H new ATOM 0 HG22 THR A 19 3.947 -16.159 2.931 1.00 0.00 H new ATOM 0 HG23 THR A 19 2.664 -16.250 1.702 1.00 0.00 H new ATOM 281 N GLU A 20 6.658 -13.875 -0.597 1.00 0.00 N ATOM 282 CA GLU A 20 8.054 -13.591 -0.913 1.00 0.00 C ATOM 283 C GLU A 20 8.246 -12.142 -1.392 1.00 0.00 C ATOM 284 O GLU A 20 9.246 -11.814 -2.034 1.00 0.00 O ATOM 285 CB GLU A 20 8.546 -14.679 -1.887 1.00 0.00 C ATOM 286 CG GLU A 20 10.076 -14.732 -1.934 1.00 0.00 C ATOM 287 CD GLU A 20 10.676 -16.137 -1.938 1.00 0.00 C ATOM 288 OE1 GLU A 20 10.413 -16.928 -1.005 1.00 0.00 O ATOM 289 OE2 GLU A 20 11.483 -16.445 -2.838 1.00 0.00 O ATOM 0 H GLU A 20 6.020 -13.647 -1.360 1.00 0.00 H new ATOM 0 HA GLU A 20 8.681 -13.642 -0.023 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.156 -15.649 -1.580 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.156 -14.480 -2.885 1.00 0.00 H new ATOM 0 HG2 GLU A 20 10.415 -14.206 -2.827 1.00 0.00 H new ATOM 0 HG3 GLU A 20 10.469 -14.188 -1.075 1.00 0.00 H new ATOM 296 N THR A 21 7.290 -11.269 -1.075 1.00 0.00 N ATOM 297 CA THR A 21 7.338 -9.834 -1.284 1.00 0.00 C ATOM 298 C THR A 21 8.478 -9.264 -0.427 1.00 0.00 C ATOM 299 O THR A 21 8.852 -9.868 0.582 1.00 0.00 O ATOM 300 CB THR A 21 5.971 -9.279 -0.837 1.00 0.00 C ATOM 301 OG1 THR A 21 4.889 -10.085 -1.294 1.00 0.00 O ATOM 302 CG2 THR A 21 5.730 -7.835 -1.252 1.00 0.00 C ATOM 0 H THR A 21 6.416 -11.567 -0.642 1.00 0.00 H new ATOM 0 HA THR A 21 7.524 -9.564 -2.323 1.00 0.00 H new ATOM 0 HB THR A 21 6.009 -9.308 0.252 1.00 0.00 H new ATOM 0 HG1 THR A 21 4.097 -9.524 -1.429 1.00 0.00 H new ATOM 0 HG21 THR A 21 4.748 -7.515 -0.902 1.00 0.00 H new ATOM 0 HG22 THR A 21 6.497 -7.197 -0.813 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.771 -7.757 -2.338 1.00 0.00 H new ATOM 310 N ASN A 22 8.992 -8.085 -0.780 1.00 0.00 N ATOM 311 CA ASN A 22 9.860 -7.281 0.072 1.00 0.00 C ATOM 312 C ASN A 22 9.444 -5.818 -0.075 1.00 0.00 C ATOM 313 O ASN A 22 8.623 -5.507 -0.932 1.00 0.00 O ATOM 314 CB ASN A 22 11.339 -7.434 -0.305 1.00 0.00 C ATOM 315 CG ASN A 22 11.874 -8.815 0.008 1.00 0.00 C ATOM 316 OD1 ASN A 22 11.927 -9.223 1.167 1.00 0.00 O ATOM 317 ND2 ASN A 22 12.371 -9.508 -0.991 1.00 0.00 N ATOM 0 H ASN A 22 8.810 -7.656 -1.687 1.00 0.00 H new ATOM 0 HA ASN A 22 9.753 -7.621 1.102 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.463 -7.232 -1.369 1.00 0.00 H new ATOM 0 HB3 ASN A 22 11.927 -6.689 0.232 1.00 0.00 H new ATOM 0 HD21 ASN A 22 12.815 -10.409 -0.815 1.00 0.00 H new ATOM 0 HD22 ASN A 22 12.313 -9.145 -1.942 1.00 0.00 H new ATOM 324 N GLU A 23 10.033 -4.906 0.694 1.00 0.00 N ATOM 325 CA GLU A 23 9.654 -3.488 0.682 1.00 0.00 C ATOM 326 C GLU A 23 10.154 -2.835 -0.605 1.00 0.00 C ATOM 327 O GLU A 23 9.362 -2.294 -1.368 1.00 0.00 O ATOM 328 CB GLU A 23 10.190 -2.792 1.942 1.00 0.00 C ATOM 329 CG GLU A 23 9.532 -3.388 3.192 1.00 0.00 C ATOM 330 CD GLU A 23 10.368 -3.234 4.453 1.00 0.00 C ATOM 331 OE1 GLU A 23 11.376 -3.981 4.558 1.00 0.00 O ATOM 332 OE2 GLU A 23 9.936 -2.498 5.364 1.00 0.00 O ATOM 0 H GLU A 23 10.787 -5.125 1.345 1.00 0.00 H new ATOM 0 HA GLU A 23 8.569 -3.389 0.698 1.00 0.00 H new ATOM 0 HB2 GLU A 23 11.272 -2.910 2.000 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.988 -1.722 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 23 8.565 -2.909 3.347 1.00 0.00 H new ATOM 0 HG3 GLU A 23 9.339 -4.447 3.021 1.00 0.00 H new ATOM 339 N LYS A 24 11.438 -3.008 -0.924 1.00 0.00 N ATOM 340 CA LYS A 24 12.005 -2.716 -2.242 1.00 0.00 C ATOM 341 C LYS A 24 11.179 -3.293 -3.384 1.00 0.00 C ATOM 342 O LYS A 24 10.968 -2.649 -4.408 1.00 0.00 O ATOM 343 CB LYS A 24 13.444 -3.237 -2.301 1.00 0.00 C ATOM 344 CG LYS A 24 13.656 -4.741 -2.014 1.00 0.00 C ATOM 345 CD LYS A 24 14.952 -4.951 -1.213 1.00 0.00 C ATOM 346 CE LYS A 24 15.014 -6.345 -0.579 1.00 0.00 C ATOM 347 NZ LYS A 24 15.887 -6.369 0.615 1.00 0.00 N ATOM 0 H LYS A 24 12.127 -3.362 -0.260 1.00 0.00 H new ATOM 0 HA LYS A 24 11.993 -1.634 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 24 13.842 -3.022 -3.292 1.00 0.00 H new ATOM 0 HB3 LYS A 24 14.040 -2.668 -1.587 1.00 0.00 H new ATOM 0 HG2 LYS A 24 12.807 -5.135 -1.456 1.00 0.00 H new ATOM 0 HG3 LYS A 24 13.706 -5.294 -2.952 1.00 0.00 H new ATOM 0 HD2 LYS A 24 15.811 -4.813 -1.870 1.00 0.00 H new ATOM 0 HD3 LYS A 24 15.023 -4.194 -0.432 1.00 0.00 H new ATOM 0 HE2 LYS A 24 14.009 -6.662 -0.301 1.00 0.00 H new ATOM 0 HE3 LYS A 24 15.383 -7.062 -1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 15.902 -7.329 1.015 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 16.852 -6.091 0.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 15.521 -5.704 1.326 1.00 0.00 H new ATOM 361 N ALA A 25 10.686 -4.515 -3.205 1.00 0.00 N ATOM 362 CA ALA A 25 9.918 -5.182 -4.232 1.00 0.00 C ATOM 363 C ALA A 25 8.547 -4.531 -4.410 1.00 0.00 C ATOM 364 O ALA A 25 7.959 -4.654 -5.478 1.00 0.00 O ATOM 365 CB ALA A 25 9.788 -6.654 -3.861 1.00 0.00 C ATOM 0 H ALA A 25 10.810 -5.059 -2.351 1.00 0.00 H new ATOM 0 HA ALA A 25 10.433 -5.092 -5.188 1.00 0.00 H new ATOM 0 HB1 ALA A 25 9.211 -7.172 -4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.780 -7.100 -3.790 1.00 0.00 H new ATOM 0 HB3 ALA A 25 9.280 -6.744 -2.901 1.00 0.00 H new ATOM 371 N LEU A 26 8.024 -3.848 -3.390 1.00 0.00 N ATOM 372 CA LEU A 26 6.759 -3.127 -3.433 1.00 0.00 C ATOM 373 C LEU A 26 6.931 -1.727 -4.007 1.00 0.00 C ATOM 374 O LEU A 26 6.028 -1.266 -4.709 1.00 0.00 O ATOM 375 CB LEU A 26 6.173 -3.046 -2.023 1.00 0.00 C ATOM 376 CG LEU A 26 5.501 -4.353 -1.584 1.00 0.00 C ATOM 377 CD1 LEU A 26 5.143 -4.262 -0.097 1.00 0.00 C ATOM 378 CD2 LEU A 26 4.275 -4.685 -2.444 1.00 0.00 C ATOM 0 H LEU A 26 8.488 -3.782 -2.484 1.00 0.00 H new ATOM 0 HA LEU A 26 6.078 -3.671 -4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.966 -2.796 -1.318 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.444 -2.237 -1.983 1.00 0.00 H new ATOM 0 HG LEU A 26 6.203 -5.174 -1.730 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.665 -5.189 0.220 1.00 0.00 H new ATOM 0 HD12 LEU A 26 6.050 -4.104 0.487 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.459 -3.428 0.062 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.830 -5.618 -2.098 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.543 -3.881 -2.360 1.00 0.00 H new ATOM 0 HD23 LEU A 26 4.579 -4.792 -3.485 1.00 0.00 H new ATOM 390 N GLU A 27 8.092 -1.093 -3.791 1.00 0.00 N ATOM 391 CA GLU A 27 8.497 0.064 -4.589 1.00 0.00 C ATOM 392 C GLU A 27 8.412 -0.352 -6.063 1.00 0.00 C ATOM 393 O GLU A 27 7.819 0.344 -6.890 1.00 0.00 O ATOM 394 CB GLU A 27 9.928 0.542 -4.269 1.00 0.00 C ATOM 395 CG GLU A 27 10.225 0.930 -2.810 1.00 0.00 C ATOM 396 CD GLU A 27 11.730 1.101 -2.527 1.00 0.00 C ATOM 397 OE1 GLU A 27 12.587 0.807 -3.394 1.00 0.00 O ATOM 398 OE2 GLU A 27 12.097 1.484 -1.388 1.00 0.00 O ATOM 0 H GLU A 27 8.763 -1.364 -3.072 1.00 0.00 H new ATOM 0 HA GLU A 27 7.836 0.899 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 27 10.621 -0.248 -4.557 1.00 0.00 H new ATOM 0 HB3 GLU A 27 10.146 1.404 -4.900 1.00 0.00 H new ATOM 0 HG2 GLU A 27 9.709 1.861 -2.575 1.00 0.00 H new ATOM 0 HG3 GLU A 27 9.821 0.165 -2.147 1.00 0.00 H new ATOM 405 N ALA A 28 8.941 -1.540 -6.384 1.00 0.00 N ATOM 406 CA ALA A 28 8.971 -2.042 -7.747 1.00 0.00 C ATOM 407 C ALA A 28 7.566 -2.335 -8.285 1.00 0.00 C ATOM 408 O ALA A 28 7.339 -2.081 -9.468 1.00 0.00 O ATOM 409 CB ALA A 28 9.889 -3.262 -7.864 1.00 0.00 C ATOM 0 H ALA A 28 9.357 -2.173 -5.701 1.00 0.00 H new ATOM 0 HA ALA A 28 9.386 -1.253 -8.374 1.00 0.00 H new ATOM 0 HB1 ALA A 28 9.893 -3.617 -8.895 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.902 -2.984 -7.572 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.527 -4.054 -7.209 1.00 0.00 H new ATOM 415 N VAL A 29 6.614 -2.831 -7.480 1.00 0.00 N ATOM 416 CA VAL A 29 5.232 -3.020 -7.933 1.00 0.00 C ATOM 417 C VAL A 29 4.614 -1.674 -8.322 1.00 0.00 C ATOM 418 O VAL A 29 4.124 -1.538 -9.444 1.00 0.00 O ATOM 419 CB VAL A 29 4.356 -3.748 -6.885 1.00 0.00 C ATOM 420 CG1 VAL A 29 2.892 -3.842 -7.345 1.00 0.00 C ATOM 421 CG2 VAL A 29 4.848 -5.177 -6.632 1.00 0.00 C ATOM 0 H VAL A 29 6.778 -3.108 -6.512 1.00 0.00 H new ATOM 0 HA VAL A 29 5.265 -3.665 -8.811 1.00 0.00 H new ATOM 0 HB VAL A 29 4.429 -3.158 -5.971 1.00 0.00 H new ATOM 0 HG11 VAL A 29 2.305 -4.359 -6.586 1.00 0.00 H new ATOM 0 HG12 VAL A 29 2.492 -2.839 -7.493 1.00 0.00 H new ATOM 0 HG13 VAL A 29 2.840 -4.395 -8.283 1.00 0.00 H new ATOM 0 HG21 VAL A 29 4.208 -5.656 -5.891 1.00 0.00 H new ATOM 0 HG22 VAL A 29 4.813 -5.744 -7.562 1.00 0.00 H new ATOM 0 HG23 VAL A 29 5.873 -5.149 -6.263 1.00 0.00 H new ATOM 431 N PHE A 30 4.589 -0.708 -7.400 1.00 0.00 N ATOM 432 CA PHE A 30 3.629 0.391 -7.461 1.00 0.00 C ATOM 433 C PHE A 30 4.259 1.747 -7.796 1.00 0.00 C ATOM 434 O PHE A 30 3.524 2.712 -7.991 1.00 0.00 O ATOM 435 CB PHE A 30 2.887 0.500 -6.121 1.00 0.00 C ATOM 436 CG PHE A 30 1.930 -0.605 -5.736 1.00 0.00 C ATOM 437 CD1 PHE A 30 0.615 -0.596 -6.238 1.00 0.00 C ATOM 438 CD2 PHE A 30 2.303 -1.548 -4.758 1.00 0.00 C ATOM 439 CE1 PHE A 30 -0.334 -1.501 -5.735 1.00 0.00 C ATOM 440 CE2 PHE A 30 1.355 -2.462 -4.267 1.00 0.00 C ATOM 441 CZ PHE A 30 0.031 -2.419 -4.735 1.00 0.00 C ATOM 0 H PHE A 30 5.224 -0.667 -6.603 1.00 0.00 H new ATOM 0 HA PHE A 30 2.944 0.153 -8.275 1.00 0.00 H new ATOM 0 HB2 PHE A 30 3.636 0.580 -5.333 1.00 0.00 H new ATOM 0 HB3 PHE A 30 2.328 1.436 -6.126 1.00 0.00 H new ATOM 0 HD1 PHE A 30 0.336 0.106 -7.009 1.00 0.00 H new ATOM 0 HD2 PHE A 30 3.317 -1.569 -4.386 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -1.344 -1.492 -6.117 1.00 0.00 H new ATOM 0 HE2 PHE A 30 1.644 -3.197 -3.530 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.708 -3.092 -4.326 1.00 0.00 H new ATOM 451 N GLY A 31 5.584 1.880 -7.859 1.00 0.00 N ATOM 452 CA GLY A 31 6.210 3.196 -7.964 1.00 0.00 C ATOM 453 C GLY A 31 5.821 3.982 -9.217 1.00 0.00 C ATOM 454 O GLY A 31 5.949 5.205 -9.215 1.00 0.00 O ATOM 0 H GLY A 31 6.239 1.099 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.944 3.783 -7.085 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.293 3.072 -7.949 1.00 0.00 H new ATOM 458 N LYS A 32 5.290 3.322 -10.251 1.00 0.00 N ATOM 459 CA LYS A 32 4.891 3.945 -11.512 1.00 0.00 C ATOM 460 C LYS A 32 3.610 4.778 -11.397 1.00 0.00 C ATOM 461 O LYS A 32 3.136 5.303 -12.404 1.00 0.00 O ATOM 462 CB LYS A 32 4.777 2.854 -12.588 1.00 0.00 C ATOM 463 CG LYS A 32 3.520 1.980 -12.448 1.00 0.00 C ATOM 464 CD LYS A 32 3.676 0.690 -13.254 1.00 0.00 C ATOM 465 CE LYS A 32 2.310 0.033 -13.460 1.00 0.00 C ATOM 466 NZ LYS A 32 2.425 -1.302 -14.073 1.00 0.00 N ATOM 0 H LYS A 32 5.123 2.316 -10.232 1.00 0.00 H new ATOM 0 HA LYS A 32 5.661 4.661 -11.799 1.00 0.00 H new ATOM 0 HB2 LYS A 32 4.775 3.324 -13.571 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.660 2.216 -12.542 1.00 0.00 H new ATOM 0 HG2 LYS A 32 3.350 1.742 -11.398 1.00 0.00 H new ATOM 0 HG3 LYS A 32 2.646 2.530 -12.796 1.00 0.00 H new ATOM 0 HD2 LYS A 32 4.133 0.908 -14.219 1.00 0.00 H new ATOM 0 HD3 LYS A 32 4.344 0.004 -12.732 1.00 0.00 H new ATOM 0 HE2 LYS A 32 1.800 -0.052 -12.500 1.00 0.00 H new ATOM 0 HE3 LYS A 32 1.693 0.671 -14.093 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 1.477 -1.711 -14.195 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 2.888 -1.219 -15.001 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 2.992 -1.919 -13.457 1.00 0.00 H new ATOM 480 N TYR A 33 3.018 4.872 -10.206 1.00 0.00 N ATOM 481 CA TYR A 33 1.830 5.674 -9.951 1.00 0.00 C ATOM 482 C TYR A 33 2.168 7.004 -9.277 1.00 0.00 C ATOM 483 O TYR A 33 1.266 7.810 -9.050 1.00 0.00 O ATOM 484 CB TYR A 33 0.820 4.833 -9.167 1.00 0.00 C ATOM 485 CG TYR A 33 0.343 3.637 -9.973 1.00 0.00 C ATOM 486 CD1 TYR A 33 -0.459 3.850 -11.108 1.00 0.00 C ATOM 487 CD2 TYR A 33 0.777 2.335 -9.662 1.00 0.00 C ATOM 488 CE1 TYR A 33 -0.790 2.778 -11.950 1.00 0.00 C ATOM 489 CE2 TYR A 33 0.425 1.250 -10.481 1.00 0.00 C ATOM 490 CZ TYR A 33 -0.330 1.477 -11.650 1.00 0.00 C ATOM 491 OH TYR A 33 -0.581 0.440 -12.492 1.00 0.00 O ATOM 0 H TYR A 33 3.360 4.382 -9.379 1.00 0.00 H new ATOM 0 HA TYR A 33 1.371 5.955 -10.899 1.00 0.00 H new ATOM 0 HB2 TYR A 33 1.275 4.489 -8.239 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -0.034 5.452 -8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.821 4.842 -11.332 1.00 0.00 H new ATOM 0 HD2 TYR A 33 1.386 2.169 -8.786 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.396 2.948 -12.827 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.731 0.248 -10.217 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.001 0.778 -13.311 1.00 0.00 H new ATOM 501 N GLY A 34 3.449 7.296 -9.019 1.00 0.00 N ATOM 502 CA GLY A 34 3.857 8.628 -8.591 1.00 0.00 C ATOM 503 C GLY A 34 5.108 8.697 -7.731 1.00 0.00 C ATOM 504 O GLY A 34 5.332 9.742 -7.125 1.00 0.00 O ATOM 0 H GLY A 34 4.214 6.626 -9.101 1.00 0.00 H new ATOM 0 HA2 GLY A 34 4.016 9.240 -9.479 1.00 0.00 H new ATOM 0 HA3 GLY A 34 3.034 9.078 -8.036 1.00 0.00 H new ATOM 508 N ARG A 35 5.944 7.655 -7.709 1.00 0.00 N ATOM 509 CA ARG A 35 7.047 7.437 -6.773 1.00 0.00 C ATOM 510 C ARG A 35 6.486 7.149 -5.382 1.00 0.00 C ATOM 511 O ARG A 35 5.406 7.584 -4.983 1.00 0.00 O ATOM 512 CB ARG A 35 8.092 8.584 -6.806 1.00 0.00 C ATOM 513 CG ARG A 35 9.377 8.282 -6.012 1.00 0.00 C ATOM 514 CD ARG A 35 10.415 9.410 -6.117 1.00 0.00 C ATOM 515 NE ARG A 35 11.010 9.517 -7.460 1.00 0.00 N ATOM 516 CZ ARG A 35 11.953 8.732 -7.995 1.00 0.00 C ATOM 517 NH1 ARG A 35 12.505 7.739 -7.301 1.00 0.00 N ATOM 518 NH2 ARG A 35 12.349 8.943 -9.239 1.00 0.00 N ATOM 0 H ARG A 35 5.863 6.896 -8.386 1.00 0.00 H new ATOM 0 HA ARG A 35 7.610 6.558 -7.087 1.00 0.00 H new ATOM 0 HB2 ARG A 35 8.358 8.790 -7.843 1.00 0.00 H new ATOM 0 HB3 ARG A 35 7.635 9.490 -6.408 1.00 0.00 H new ATOM 0 HG2 ARG A 35 9.123 8.123 -4.964 1.00 0.00 H new ATOM 0 HG3 ARG A 35 9.816 7.354 -6.378 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.942 10.357 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.206 9.238 -5.387 1.00 0.00 H new ATOM 0 HE ARG A 35 10.665 10.275 -8.049 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.211 7.563 -6.340 1.00 0.00 H new ATOM 0 HH12 ARG A 35 13.222 7.154 -7.730 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.936 9.700 -9.784 1.00 0.00 H new ATOM 0 HH22 ARG A 35 13.067 8.349 -9.653 1.00 0.00 H new ATOM 532 N ILE A 36 7.233 6.342 -4.646 1.00 0.00 N ATOM 533 CA ILE A 36 6.928 5.902 -3.305 1.00 0.00 C ATOM 534 C ILE A 36 8.099 6.358 -2.465 1.00 0.00 C ATOM 535 O ILE A 36 9.250 6.184 -2.873 1.00 0.00 O ATOM 536 CB ILE A 36 6.775 4.372 -3.318 1.00 0.00 C ATOM 537 CG1 ILE A 36 5.510 4.017 -4.111 1.00 0.00 C ATOM 538 CG2 ILE A 36 6.694 3.790 -1.902 1.00 0.00 C ATOM 539 CD1 ILE A 36 5.446 2.550 -4.511 1.00 0.00 C ATOM 0 H ILE A 36 8.113 5.959 -4.991 1.00 0.00 H new ATOM 0 HA ILE A 36 5.999 6.309 -2.905 1.00 0.00 H new ATOM 0 HB ILE A 36 7.656 3.937 -3.789 1.00 0.00 H new ATOM 0 HG12 ILE A 36 4.633 4.262 -3.512 1.00 0.00 H new ATOM 0 HG13 ILE A 36 5.466 4.634 -5.008 1.00 0.00 H new ATOM 0 HG21 ILE A 36 6.586 2.707 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE A 36 7.604 4.036 -1.355 1.00 0.00 H new ATOM 0 HG23 ILE A 36 5.834 4.213 -1.383 1.00 0.00 H new ATOM 0 HD11 ILE A 36 4.528 2.365 -5.069 1.00 0.00 H new ATOM 0 HD12 ILE A 36 6.305 2.305 -5.135 1.00 0.00 H new ATOM 0 HD13 ILE A 36 5.459 1.928 -3.616 1.00 0.00 H new ATOM 551 N VAL A 37 7.796 6.890 -1.290 1.00 0.00 N ATOM 552 CA VAL A 37 8.800 7.352 -0.348 1.00 0.00 C ATOM 553 C VAL A 37 8.661 6.612 0.987 1.00 0.00 C ATOM 554 O VAL A 37 9.555 6.719 1.820 1.00 0.00 O ATOM 555 CB VAL A 37 8.764 8.897 -0.265 1.00 0.00 C ATOM 556 CG1 VAL A 37 9.144 9.524 -1.619 1.00 0.00 C ATOM 557 CG2 VAL A 37 7.398 9.464 0.138 1.00 0.00 C ATOM 0 H VAL A 37 6.838 7.013 -0.963 1.00 0.00 H new ATOM 0 HA VAL A 37 9.805 7.106 -0.692 1.00 0.00 H new ATOM 0 HB VAL A 37 9.484 9.153 0.512 1.00 0.00 H new ATOM 0 HG11 VAL A 37 9.112 10.611 -1.538 1.00 0.00 H new ATOM 0 HG12 VAL A 37 10.150 9.210 -1.896 1.00 0.00 H new ATOM 0 HG13 VAL A 37 8.439 9.196 -2.383 1.00 0.00 H new ATOM 0 HG21 VAL A 37 7.452 10.552 0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 37 6.649 9.162 -0.594 1.00 0.00 H new ATOM 0 HG23 VAL A 37 7.121 9.081 1.120 1.00 0.00 H new ATOM 567 N GLU A 38 7.629 5.779 1.180 1.00 0.00 N ATOM 568 CA GLU A 38 7.451 4.988 2.390 1.00 0.00 C ATOM 569 C GLU A 38 6.782 3.650 2.045 1.00 0.00 C ATOM 570 O GLU A 38 5.857 3.612 1.232 1.00 0.00 O ATOM 571 CB GLU A 38 6.634 5.815 3.409 1.00 0.00 C ATOM 572 CG GLU A 38 7.542 6.279 4.558 1.00 0.00 C ATOM 573 CD GLU A 38 6.831 6.586 5.872 1.00 0.00 C ATOM 574 OE1 GLU A 38 5.776 5.981 6.157 1.00 0.00 O ATOM 575 OE2 GLU A 38 7.398 7.346 6.695 1.00 0.00 O ATOM 0 H GLU A 38 6.891 5.639 0.490 1.00 0.00 H new ATOM 0 HA GLU A 38 8.414 4.752 2.843 1.00 0.00 H new ATOM 0 HB2 GLU A 38 6.189 6.679 2.915 1.00 0.00 H new ATOM 0 HB3 GLU A 38 5.814 5.215 3.803 1.00 0.00 H new ATOM 0 HG2 GLU A 38 8.290 5.508 4.741 1.00 0.00 H new ATOM 0 HG3 GLU A 38 8.077 7.173 4.237 1.00 0.00 H new ATOM 582 N VAL A 39 7.263 2.556 2.647 1.00 0.00 N ATOM 583 CA VAL A 39 6.734 1.199 2.540 1.00 0.00 C ATOM 584 C VAL A 39 6.876 0.534 3.916 1.00 0.00 C ATOM 585 O VAL A 39 7.873 0.753 4.618 1.00 0.00 O ATOM 586 CB VAL A 39 7.515 0.397 1.471 1.00 0.00 C ATOM 587 CG1 VAL A 39 6.931 -1.009 1.305 1.00 0.00 C ATOM 588 CG2 VAL A 39 7.497 1.056 0.085 1.00 0.00 C ATOM 0 H VAL A 39 8.080 2.601 3.257 1.00 0.00 H new ATOM 0 HA VAL A 39 5.688 1.223 2.236 1.00 0.00 H new ATOM 0 HB VAL A 39 8.541 0.363 1.838 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.498 -1.551 0.548 1.00 0.00 H new ATOM 0 HG12 VAL A 39 6.990 -1.542 2.254 1.00 0.00 H new ATOM 0 HG13 VAL A 39 5.889 -0.936 0.994 1.00 0.00 H new ATOM 0 HG21 VAL A 39 8.062 0.443 -0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 39 6.467 1.148 -0.261 1.00 0.00 H new ATOM 0 HG23 VAL A 39 7.948 2.046 0.147 1.00 0.00 H new ATOM 598 N LEU A 40 5.930 -0.336 4.280 1.00 0.00 N ATOM 599 CA LEU A 40 5.986 -1.103 5.515 1.00 0.00 C ATOM 600 C LEU A 40 5.520 -2.531 5.242 1.00 0.00 C ATOM 601 O LEU A 40 4.342 -2.770 4.953 1.00 0.00 O ATOM 602 CB LEU A 40 5.152 -0.402 6.605 1.00 0.00 C ATOM 603 CG LEU A 40 5.897 -0.325 7.948 1.00 0.00 C ATOM 604 CD1 LEU A 40 5.085 0.504 8.942 1.00 0.00 C ATOM 605 CD2 LEU A 40 6.144 -1.719 8.527 1.00 0.00 C ATOM 0 H LEU A 40 5.100 -0.525 3.718 1.00 0.00 H new ATOM 0 HA LEU A 40 7.010 -1.157 5.886 1.00 0.00 H new ATOM 0 HB2 LEU A 40 4.898 0.605 6.274 1.00 0.00 H new ATOM 0 HB3 LEU A 40 4.213 -0.938 6.743 1.00 0.00 H new ATOM 0 HG LEU A 40 6.863 0.149 7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 40 5.617 0.556 9.892 1.00 0.00 H new ATOM 0 HD12 LEU A 40 4.946 1.511 8.548 1.00 0.00 H new ATOM 0 HD13 LEU A 40 4.112 0.037 9.096 1.00 0.00 H new ATOM 0 HD21 LEU A 40 6.672 -1.630 9.476 1.00 0.00 H new ATOM 0 HD22 LEU A 40 5.190 -2.220 8.688 1.00 0.00 H new ATOM 0 HD23 LEU A 40 6.746 -2.301 7.830 1.00 0.00 H new ATOM 617 N LEU A 41 6.450 -3.488 5.290 1.00 0.00 N ATOM 618 CA LEU A 41 6.103 -4.904 5.291 1.00 0.00 C ATOM 619 C LEU A 41 5.875 -5.339 6.732 1.00 0.00 C ATOM 620 O LEU A 41 6.489 -4.808 7.656 1.00 0.00 O ATOM 621 CB LEU A 41 7.224 -5.740 4.649 1.00 0.00 C ATOM 622 CG LEU A 41 6.816 -7.164 4.226 1.00 0.00 C ATOM 623 CD1 LEU A 41 5.671 -7.137 3.203 1.00 0.00 C ATOM 624 CD2 LEU A 41 8.015 -7.861 3.581 1.00 0.00 C ATOM 0 H LEU A 41 7.452 -3.303 5.329 1.00 0.00 H new ATOM 0 HA LEU A 41 5.198 -5.062 4.705 1.00 0.00 H new ATOM 0 HB2 LEU A 41 7.595 -5.209 3.772 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.053 -5.810 5.354 1.00 0.00 H new ATOM 0 HG LEU A 41 6.484 -7.697 5.117 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.407 -8.157 2.925 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.803 -6.644 3.641 1.00 0.00 H new ATOM 0 HD13 LEU A 41 5.989 -6.590 2.315 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.731 -8.869 3.280 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.335 -7.297 2.705 1.00 0.00 H new ATOM 0 HD23 LEU A 41 8.834 -7.914 4.298 1.00 0.00 H new ATOM 636 N MET A 42 5.064 -6.373 6.926 1.00 0.00 N ATOM 637 CA MET A 42 4.765 -6.938 8.242 1.00 0.00 C ATOM 638 C MET A 42 5.308 -8.381 8.250 1.00 0.00 C ATOM 639 O MET A 42 5.633 -8.934 7.190 1.00 0.00 O ATOM 640 CB MET A 42 3.242 -6.844 8.517 1.00 0.00 C ATOM 641 CG MET A 42 2.531 -5.635 7.887 1.00 0.00 C ATOM 642 SD MET A 42 2.975 -4.029 8.572 1.00 0.00 S ATOM 643 CE MET A 42 2.218 -4.245 10.200 1.00 0.00 C ATOM 0 H MET A 42 4.587 -6.852 6.162 1.00 0.00 H new ATOM 0 HA MET A 42 5.245 -6.386 9.050 1.00 0.00 H new ATOM 0 HB2 MET A 42 2.767 -7.754 8.151 1.00 0.00 H new ATOM 0 HB3 MET A 42 3.086 -6.814 9.595 1.00 0.00 H new ATOM 0 HG2 MET A 42 2.745 -5.626 6.818 1.00 0.00 H new ATOM 0 HG3 MET A 42 1.455 -5.772 7.995 1.00 0.00 H new ATOM 0 HE1 MET A 42 2.059 -3.270 10.660 1.00 0.00 H new ATOM 0 HE2 MET A 42 1.261 -4.755 10.091 1.00 0.00 H new ATOM 0 HE3 MET A 42 2.877 -4.841 10.832 1.00 0.00 H new ATOM 653 N LYS A 43 5.331 -9.072 9.394 1.00 0.00 N ATOM 654 CA LYS A 43 5.873 -10.413 9.555 1.00 0.00 C ATOM 655 C LYS A 43 5.040 -11.191 10.560 1.00 0.00 C ATOM 656 O LYS A 43 4.419 -10.595 11.444 1.00 0.00 O ATOM 657 CB LYS A 43 7.335 -10.342 10.004 1.00 0.00 C ATOM 658 CG LYS A 43 8.228 -9.924 8.834 1.00 0.00 C ATOM 659 CD LYS A 43 9.606 -9.471 9.298 1.00 0.00 C ATOM 660 CE LYS A 43 10.369 -8.832 8.123 1.00 0.00 C ATOM 661 NZ LYS A 43 11.432 -9.694 7.572 1.00 0.00 N ATOM 0 H LYS A 43 4.957 -8.692 10.263 1.00 0.00 H new ATOM 0 HA LYS A 43 5.834 -10.931 8.597 1.00 0.00 H new ATOM 0 HB2 LYS A 43 7.437 -9.629 10.822 1.00 0.00 H new ATOM 0 HB3 LYS A 43 7.653 -11.312 10.385 1.00 0.00 H new ATOM 0 HG2 LYS A 43 8.335 -10.761 8.144 1.00 0.00 H new ATOM 0 HG3 LYS A 43 7.748 -9.116 8.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 9.508 -8.754 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 43 10.166 -10.321 9.688 1.00 0.00 H new ATOM 0 HE2 LYS A 43 9.662 -8.589 7.330 1.00 0.00 H new ATOM 0 HE3 LYS A 43 10.810 -7.892 8.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 11.904 -9.203 6.786 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 12.128 -9.906 8.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 11.015 -10.581 7.226 1.00 0.00 H new ATOM 675 N ASP A 44 4.991 -12.507 10.388 1.00 0.00 N ATOM 676 CA ASP A 44 4.039 -13.348 11.113 1.00 0.00 C ATOM 677 C ASP A 44 4.530 -13.712 12.503 1.00 0.00 C ATOM 678 O ASP A 44 5.705 -14.039 12.669 1.00 0.00 O ATOM 679 CB ASP A 44 3.714 -14.648 10.383 1.00 0.00 C ATOM 680 CG ASP A 44 2.311 -15.079 10.794 1.00 0.00 C ATOM 681 OD1 ASP A 44 1.330 -14.599 10.188 1.00 0.00 O ATOM 682 OD2 ASP A 44 2.180 -15.780 11.817 1.00 0.00 O ATOM 0 H ASP A 44 5.601 -13.019 9.751 1.00 0.00 H new ATOM 0 HA ASP A 44 3.139 -12.737 11.182 1.00 0.00 H new ATOM 0 HB2 ASP A 44 3.768 -14.503 9.304 1.00 0.00 H new ATOM 0 HB3 ASP A 44 4.440 -15.420 10.638 1.00 0.00 H new ATOM 687 N ARG A 45 3.622 -13.728 13.481 1.00 0.00 N ATOM 688 CA ARG A 45 3.928 -14.174 14.838 1.00 0.00 C ATOM 689 C ARG A 45 4.144 -15.684 14.962 1.00 0.00 C ATOM 690 O ARG A 45 4.560 -16.113 16.035 1.00 0.00 O ATOM 691 CB ARG A 45 2.849 -13.693 15.820 1.00 0.00 C ATOM 692 CG ARG A 45 1.415 -14.189 15.537 1.00 0.00 C ATOM 693 CD ARG A 45 0.761 -14.718 16.820 1.00 0.00 C ATOM 694 NE ARG A 45 -0.709 -14.760 16.734 1.00 0.00 N ATOM 695 CZ ARG A 45 -1.517 -15.190 17.712 1.00 0.00 C ATOM 696 NH1 ARG A 45 -1.015 -15.713 18.829 1.00 0.00 N ATOM 697 NH2 ARG A 45 -2.836 -15.097 17.585 1.00 0.00 N ATOM 0 H ARG A 45 2.654 -13.432 13.353 1.00 0.00 H new ATOM 0 HA ARG A 45 4.883 -13.718 15.097 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.131 -14.009 16.824 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.843 -12.603 15.819 1.00 0.00 H new ATOM 0 HG2 ARG A 45 0.817 -13.375 15.127 1.00 0.00 H new ATOM 0 HG3 ARG A 45 1.439 -14.977 14.784 1.00 0.00 H new ATOM 0 HD2 ARG A 45 1.137 -15.720 17.028 1.00 0.00 H new ATOM 0 HD3 ARG A 45 1.054 -14.087 17.659 1.00 0.00 H new ATOM 0 HE ARG A 45 -1.142 -14.439 15.868 1.00 0.00 H new ATOM 0 HH11 ARG A 45 -0.005 -15.790 18.947 1.00 0.00 H new ATOM 0 HH12 ARG A 45 -1.641 -16.037 19.567 1.00 0.00 H new ATOM 0 HH21 ARG A 45 -3.240 -14.696 16.739 1.00 0.00 H new ATOM 0 HH22 ARG A 45 -3.445 -15.427 18.334 1.00 0.00 H new ATOM 711 N GLU A 46 3.856 -16.496 13.940 1.00 0.00 N ATOM 712 CA GLU A 46 4.136 -17.922 13.981 1.00 0.00 C ATOM 713 C GLU A 46 5.646 -18.109 14.112 1.00 0.00 C ATOM 714 O GLU A 46 6.091 -18.817 15.013 1.00 0.00 O ATOM 715 CB GLU A 46 3.557 -18.619 12.734 1.00 0.00 C ATOM 716 CG GLU A 46 3.965 -20.100 12.687 1.00 0.00 C ATOM 717 CD GLU A 46 3.468 -20.862 11.460 1.00 0.00 C ATOM 718 OE1 GLU A 46 2.246 -20.931 11.224 1.00 0.00 O ATOM 719 OE2 GLU A 46 4.306 -21.421 10.710 1.00 0.00 O ATOM 0 H GLU A 46 3.426 -16.180 13.071 1.00 0.00 H new ATOM 0 HA GLU A 46 3.655 -18.387 14.841 1.00 0.00 H new ATOM 0 HB2 GLU A 46 2.470 -18.538 12.741 1.00 0.00 H new ATOM 0 HB3 GLU A 46 3.909 -18.113 11.835 1.00 0.00 H new ATOM 0 HG2 GLU A 46 5.053 -20.164 12.721 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.588 -20.595 13.582 1.00 0.00 H new ATOM 726 N THR A 47 6.425 -17.498 13.208 1.00 0.00 N ATOM 727 CA THR A 47 7.868 -17.729 13.156 1.00 0.00 C ATOM 728 C THR A 47 8.570 -16.671 12.283 1.00 0.00 C ATOM 729 O THR A 47 9.385 -17.020 11.433 1.00 0.00 O ATOM 730 CB THR A 47 8.140 -19.206 12.749 1.00 0.00 C ATOM 731 OG1 THR A 47 9.521 -19.496 12.798 1.00 0.00 O ATOM 732 CG2 THR A 47 7.627 -19.634 11.388 1.00 0.00 C ATOM 0 H THR A 47 6.078 -16.843 12.507 1.00 0.00 H new ATOM 0 HA THR A 47 8.312 -17.599 14.143 1.00 0.00 H new ATOM 0 HB THR A 47 7.570 -19.772 13.486 1.00 0.00 H new ATOM 0 HG1 THR A 47 10.014 -18.830 12.275 1.00 0.00 H new ATOM 0 HG21 THR A 47 7.876 -20.681 11.218 1.00 0.00 H new ATOM 0 HG22 THR A 47 6.545 -19.508 11.351 1.00 0.00 H new ATOM 0 HG23 THR A 47 8.090 -19.021 10.615 1.00 0.00 H new ATOM 740 N ASN A 48 8.260 -15.379 12.456 1.00 0.00 N ATOM 741 CA ASN A 48 8.845 -14.237 11.728 1.00 0.00 C ATOM 742 C ASN A 48 8.468 -14.225 10.245 1.00 0.00 C ATOM 743 O ASN A 48 9.091 -13.505 9.461 1.00 0.00 O ATOM 744 CB ASN A 48 10.381 -14.168 11.863 1.00 0.00 C ATOM 745 CG ASN A 48 10.922 -14.554 13.225 1.00 0.00 C ATOM 746 OD1 ASN A 48 10.565 -13.971 14.240 1.00 0.00 O ATOM 747 ND2 ASN A 48 11.788 -15.551 13.280 1.00 0.00 N ATOM 0 H ASN A 48 7.562 -15.084 13.139 1.00 0.00 H new ATOM 0 HA ASN A 48 8.414 -13.355 12.202 1.00 0.00 H new ATOM 0 HB2 ASN A 48 10.826 -14.822 11.113 1.00 0.00 H new ATOM 0 HB3 ASN A 48 10.706 -13.153 11.634 1.00 0.00 H new ATOM 0 HD21 ASN A 48 12.170 -15.846 14.179 1.00 0.00 H new ATOM 0 HD22 ASN A 48 12.074 -16.026 12.424 1.00 0.00 H new ATOM 754 N LYS A 49 7.511 -15.061 9.826 1.00 0.00 N ATOM 755 CA LYS A 49 7.229 -15.346 8.412 1.00 0.00 C ATOM 756 C LYS A 49 6.793 -14.096 7.651 1.00 0.00 C ATOM 757 O LYS A 49 6.519 -13.053 8.227 1.00 0.00 O ATOM 758 CB LYS A 49 6.140 -16.427 8.255 1.00 0.00 C ATOM 759 CG LYS A 49 6.214 -17.527 9.307 1.00 0.00 C ATOM 760 CD LYS A 49 5.157 -18.605 9.092 1.00 0.00 C ATOM 761 CE LYS A 49 5.684 -19.700 8.172 1.00 0.00 C ATOM 762 NZ LYS A 49 4.729 -20.815 8.070 1.00 0.00 N ATOM 0 H LYS A 49 6.901 -15.567 10.468 1.00 0.00 H new ATOM 0 HA LYS A 49 8.165 -15.711 7.988 1.00 0.00 H new ATOM 0 HB2 LYS A 49 5.160 -15.953 8.306 1.00 0.00 H new ATOM 0 HB3 LYS A 49 6.226 -16.876 7.266 1.00 0.00 H new ATOM 0 HG2 LYS A 49 7.204 -17.982 9.284 1.00 0.00 H new ATOM 0 HG3 LYS A 49 6.087 -17.089 10.297 1.00 0.00 H new ATOM 0 HD2 LYS A 49 4.870 -19.036 10.051 1.00 0.00 H new ATOM 0 HD3 LYS A 49 4.260 -18.161 8.660 1.00 0.00 H new ATOM 0 HE2 LYS A 49 5.872 -19.287 7.181 1.00 0.00 H new ATOM 0 HE3 LYS A 49 6.638 -20.068 8.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 5.057 -21.488 7.349 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 4.660 -21.298 8.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 3.794 -20.448 7.800 1.00 0.00 H new ATOM 776 N SER A 50 6.576 -14.215 6.358 1.00 0.00 N ATOM 777 CA SER A 50 6.135 -13.132 5.505 1.00 0.00 C ATOM 778 C SER A 50 4.680 -13.417 5.139 1.00 0.00 C ATOM 779 O SER A 50 4.425 -14.384 4.429 1.00 0.00 O ATOM 780 CB SER A 50 7.157 -13.145 4.378 1.00 0.00 C ATOM 781 OG SER A 50 6.848 -12.380 3.239 1.00 0.00 O ATOM 0 H SER A 50 6.705 -15.094 5.857 1.00 0.00 H new ATOM 0 HA SER A 50 6.110 -12.125 5.922 1.00 0.00 H new ATOM 0 HB2 SER A 50 8.108 -12.793 4.777 1.00 0.00 H new ATOM 0 HB3 SER A 50 7.305 -14.178 4.064 1.00 0.00 H new ATOM 0 HG SER A 50 6.955 -12.931 2.436 1.00 0.00 H new ATOM 787 N ARG A 51 3.705 -12.671 5.688 1.00 0.00 N ATOM 788 CA ARG A 51 2.274 -12.884 5.357 1.00 0.00 C ATOM 789 C ARG A 51 1.939 -12.229 4.008 1.00 0.00 C ATOM 790 O ARG A 51 2.801 -11.624 3.380 1.00 0.00 O ATOM 791 CB ARG A 51 1.294 -12.381 6.447 1.00 0.00 C ATOM 792 CG ARG A 51 1.827 -12.291 7.887 1.00 0.00 C ATOM 793 CD ARG A 51 2.258 -10.876 8.293 1.00 0.00 C ATOM 794 NE ARG A 51 3.110 -10.224 7.279 1.00 0.00 N ATOM 795 CZ ARG A 51 2.693 -9.399 6.312 1.00 0.00 C ATOM 796 NH1 ARG A 51 1.454 -8.951 6.292 1.00 0.00 N ATOM 797 NH2 ARG A 51 3.506 -8.972 5.369 1.00 0.00 N ATOM 0 H ARG A 51 3.873 -11.920 6.358 1.00 0.00 H new ATOM 0 HA ARG A 51 2.137 -13.964 5.298 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.943 -11.391 6.155 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.425 -13.039 6.449 1.00 0.00 H new ATOM 0 HG2 ARG A 51 1.055 -12.638 8.574 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.676 -12.966 7.994 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.371 -10.266 8.462 1.00 0.00 H new ATOM 0 HD3 ARG A 51 2.798 -10.923 9.239 1.00 0.00 H new ATOM 0 HE ARG A 51 4.110 -10.421 7.319 1.00 0.00 H new ATOM 0 HH11 ARG A 51 0.798 -9.233 7.021 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.151 -8.322 5.548 1.00 0.00 H new ATOM 0 HH21 ARG A 51 4.482 -9.270 5.363 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.160 -8.343 4.644 1.00 0.00 H new ATOM 811 N GLY A 52 0.678 -12.280 3.569 1.00 0.00 N ATOM 812 CA GLY A 52 0.233 -11.764 2.280 1.00 0.00 C ATOM 813 C GLY A 52 -0.519 -10.433 2.387 1.00 0.00 C ATOM 814 O GLY A 52 -1.577 -10.281 1.779 1.00 0.00 O ATOM 0 H GLY A 52 -0.077 -12.692 4.117 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.098 -11.633 1.630 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -0.414 -12.502 1.805 1.00 0.00 H new ATOM 818 N PHE A 53 -0.029 -9.456 3.153 1.00 0.00 N ATOM 819 CA PHE A 53 -0.559 -8.090 3.167 1.00 0.00 C ATOM 820 C PHE A 53 0.602 -7.131 3.437 1.00 0.00 C ATOM 821 O PHE A 53 1.642 -7.567 3.933 1.00 0.00 O ATOM 822 CB PHE A 53 -1.705 -7.950 4.188 1.00 0.00 C ATOM 823 CG PHE A 53 -1.377 -8.145 5.659 1.00 0.00 C ATOM 824 CD1 PHE A 53 -0.970 -7.037 6.425 1.00 0.00 C ATOM 825 CD2 PHE A 53 -1.537 -9.403 6.288 1.00 0.00 C ATOM 826 CE1 PHE A 53 -0.756 -7.177 7.802 1.00 0.00 C ATOM 827 CE2 PHE A 53 -1.296 -9.536 7.672 1.00 0.00 C ATOM 828 CZ PHE A 53 -0.906 -8.418 8.433 1.00 0.00 C ATOM 0 H PHE A 53 0.757 -9.592 3.789 1.00 0.00 H new ATOM 0 HA PHE A 53 -0.998 -7.840 2.201 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -2.137 -6.956 4.071 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -2.480 -8.668 3.921 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -0.823 -6.078 5.951 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -1.844 -10.261 5.708 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -0.471 -6.315 8.386 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -1.411 -10.498 8.149 1.00 0.00 H new ATOM 0 HZ PHE A 53 -0.724 -8.516 9.493 1.00 0.00 H new ATOM 838 N ALA A 54 0.476 -5.849 3.120 1.00 0.00 N ATOM 839 CA ALA A 54 1.518 -4.849 3.345 1.00 0.00 C ATOM 840 C ALA A 54 0.891 -3.453 3.359 1.00 0.00 C ATOM 841 O ALA A 54 -0.333 -3.305 3.292 1.00 0.00 O ATOM 842 CB ALA A 54 2.593 -4.952 2.252 1.00 0.00 C ATOM 0 H ALA A 54 -0.367 -5.466 2.692 1.00 0.00 H new ATOM 0 HA ALA A 54 1.994 -5.030 4.309 1.00 0.00 H new ATOM 0 HB1 ALA A 54 3.365 -4.203 2.429 1.00 0.00 H new ATOM 0 HB2 ALA A 54 3.040 -5.946 2.274 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.138 -4.781 1.277 1.00 0.00 H new ATOM 848 N PHE A 55 1.724 -2.425 3.471 1.00 0.00 N ATOM 849 CA PHE A 55 1.338 -1.030 3.462 1.00 0.00 C ATOM 850 C PHE A 55 2.367 -0.278 2.611 1.00 0.00 C ATOM 851 O PHE A 55 3.549 -0.633 2.610 1.00 0.00 O ATOM 852 CB PHE A 55 1.275 -0.585 4.929 1.00 0.00 C ATOM 853 CG PHE A 55 1.230 0.900 5.197 1.00 0.00 C ATOM 854 CD1 PHE A 55 0.437 1.755 4.411 1.00 0.00 C ATOM 855 CD2 PHE A 55 1.989 1.424 6.258 1.00 0.00 C ATOM 856 CE1 PHE A 55 0.484 3.141 4.630 1.00 0.00 C ATOM 857 CE2 PHE A 55 1.999 2.802 6.504 1.00 0.00 C ATOM 858 CZ PHE A 55 1.257 3.660 5.683 1.00 0.00 C ATOM 0 H PHE A 55 2.731 -2.553 3.575 1.00 0.00 H new ATOM 0 HA PHE A 55 0.362 -0.831 3.019 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.393 -1.037 5.382 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.143 -0.995 5.444 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.204 1.348 3.643 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.566 0.761 6.885 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.074 3.808 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.577 3.202 7.324 1.00 0.00 H new ATOM 0 HZ PHE A 55 1.279 4.725 5.860 1.00 0.00 H new ATOM 868 N VAL A 56 1.904 0.710 1.844 1.00 0.00 N ATOM 869 CA VAL A 56 2.710 1.600 1.018 1.00 0.00 C ATOM 870 C VAL A 56 2.127 3.001 1.223 1.00 0.00 C ATOM 871 O VAL A 56 0.908 3.143 1.401 1.00 0.00 O ATOM 872 CB VAL A 56 2.651 1.146 -0.462 1.00 0.00 C ATOM 873 CG1 VAL A 56 3.391 2.094 -1.414 1.00 0.00 C ATOM 874 CG2 VAL A 56 3.263 -0.250 -0.664 1.00 0.00 C ATOM 0 H VAL A 56 0.908 0.919 1.781 1.00 0.00 H new ATOM 0 HA VAL A 56 3.764 1.588 1.294 1.00 0.00 H new ATOM 0 HB VAL A 56 1.587 1.142 -0.698 1.00 0.00 H new ATOM 0 HG11 VAL A 56 3.312 1.720 -2.435 1.00 0.00 H new ATOM 0 HG12 VAL A 56 2.946 3.088 -1.356 1.00 0.00 H new ATOM 0 HG13 VAL A 56 4.441 2.150 -1.128 1.00 0.00 H new ATOM 0 HG21 VAL A 56 3.199 -0.526 -1.716 1.00 0.00 H new ATOM 0 HG22 VAL A 56 4.308 -0.237 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.716 -0.977 -0.064 1.00 0.00 H new ATOM 884 N THR A 57 2.984 4.021 1.165 1.00 0.00 N ATOM 885 CA THR A 57 2.603 5.416 1.254 1.00 0.00 C ATOM 886 C THR A 57 3.228 6.165 0.082 1.00 0.00 C ATOM 887 O THR A 57 4.459 6.237 -0.047 1.00 0.00 O ATOM 888 CB THR A 57 3.105 6.029 2.560 1.00 0.00 C ATOM 889 OG1 THR A 57 3.039 5.162 3.675 1.00 0.00 O ATOM 890 CG2 THR A 57 2.258 7.239 2.938 1.00 0.00 C ATOM 0 H THR A 57 3.989 3.887 1.052 1.00 0.00 H new ATOM 0 HA THR A 57 1.516 5.492 1.227 1.00 0.00 H new ATOM 0 HB THR A 57 4.147 6.276 2.357 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.108 4.895 3.827 1.00 0.00 H new ATOM 0 HG21 THR A 57 2.628 7.665 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 57 2.319 7.987 2.148 1.00 0.00 H new ATOM 0 HG23 THR A 57 1.220 6.931 3.066 1.00 0.00 H new ATOM 898 N PHE A 58 2.398 6.783 -0.751 1.00 0.00 N ATOM 899 CA PHE A 58 2.897 7.543 -1.886 1.00 0.00 C ATOM 900 C PHE A 58 3.139 8.979 -1.456 1.00 0.00 C ATOM 901 O PHE A 58 2.588 9.431 -0.446 1.00 0.00 O ATOM 902 CB PHE A 58 1.951 7.425 -3.087 1.00 0.00 C ATOM 903 CG PHE A 58 1.671 5.991 -3.506 1.00 0.00 C ATOM 904 CD1 PHE A 58 0.872 5.154 -2.698 1.00 0.00 C ATOM 905 CD2 PHE A 58 2.271 5.463 -4.664 1.00 0.00 C ATOM 906 CE1 PHE A 58 0.737 3.794 -3.003 1.00 0.00 C ATOM 907 CE2 PHE A 58 2.096 4.106 -4.991 1.00 0.00 C ATOM 908 CZ PHE A 58 1.344 3.267 -4.151 1.00 0.00 C ATOM 0 H PHE A 58 1.382 6.772 -0.661 1.00 0.00 H new ATOM 0 HA PHE A 58 3.849 7.131 -2.220 1.00 0.00 H new ATOM 0 HB2 PHE A 58 1.008 7.914 -2.844 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.381 7.963 -3.931 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.362 5.565 -1.839 1.00 0.00 H new ATOM 0 HD2 PHE A 58 2.866 6.100 -5.302 1.00 0.00 H new ATOM 0 HE1 PHE A 58 0.164 3.150 -2.352 1.00 0.00 H new ATOM 0 HE2 PHE A 58 2.541 3.708 -5.891 1.00 0.00 H new ATOM 0 HZ PHE A 58 1.234 2.219 -4.389 1.00 0.00 H new ATOM 918 N GLU A 59 4.026 9.674 -2.165 1.00 0.00 N ATOM 919 CA GLU A 59 4.485 10.989 -1.738 1.00 0.00 C ATOM 920 C GLU A 59 3.325 11.978 -1.755 1.00 0.00 C ATOM 921 O GLU A 59 3.105 12.692 -0.775 1.00 0.00 O ATOM 922 CB GLU A 59 5.633 11.460 -2.627 1.00 0.00 C ATOM 923 CG GLU A 59 6.241 12.761 -2.086 1.00 0.00 C ATOM 924 CD GLU A 59 6.214 13.919 -3.085 1.00 0.00 C ATOM 925 OE1 GLU A 59 7.095 13.930 -3.970 1.00 0.00 O ATOM 926 OE2 GLU A 59 5.418 14.878 -2.923 1.00 0.00 O ATOM 0 H GLU A 59 4.440 9.346 -3.038 1.00 0.00 H new ATOM 0 HA GLU A 59 4.858 10.926 -0.716 1.00 0.00 H new ATOM 0 HB2 GLU A 59 6.401 10.688 -2.677 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.271 11.617 -3.643 1.00 0.00 H new ATOM 0 HG2 GLU A 59 5.701 13.057 -1.187 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.273 12.573 -1.790 1.00 0.00 H new ATOM 933 N SER A 60 2.537 11.965 -2.830 1.00 0.00 N ATOM 934 CA SER A 60 1.342 12.785 -2.905 1.00 0.00 C ATOM 935 C SER A 60 0.118 11.923 -2.586 1.00 0.00 C ATOM 936 O SER A 60 0.147 10.696 -2.750 1.00 0.00 O ATOM 937 CB SER A 60 1.276 13.494 -4.267 1.00 0.00 C ATOM 938 OG SER A 60 0.210 13.038 -5.074 1.00 0.00 O ATOM 0 H SER A 60 2.710 11.394 -3.657 1.00 0.00 H new ATOM 0 HA SER A 60 1.365 13.579 -2.159 1.00 0.00 H new ATOM 0 HB2 SER A 60 1.171 14.567 -4.107 1.00 0.00 H new ATOM 0 HB3 SER A 60 2.217 13.341 -4.796 1.00 0.00 H new ATOM 0 HG SER A 60 0.214 13.522 -5.926 1.00 0.00 H new ATOM 944 N PRO A 61 -1.001 12.557 -2.212 1.00 0.00 N ATOM 945 CA PRO A 61 -2.255 11.854 -2.060 1.00 0.00 C ATOM 946 C PRO A 61 -2.812 11.388 -3.406 1.00 0.00 C ATOM 947 O PRO A 61 -3.421 10.326 -3.459 1.00 0.00 O ATOM 948 CB PRO A 61 -3.175 12.858 -1.381 1.00 0.00 C ATOM 949 CG PRO A 61 -2.639 14.220 -1.810 1.00 0.00 C ATOM 950 CD PRO A 61 -1.140 13.973 -1.895 1.00 0.00 C ATOM 0 HA PRO A 61 -2.145 10.941 -1.475 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -4.210 12.722 -1.694 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -3.153 12.746 -0.297 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -3.053 14.536 -2.768 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -2.882 14.998 -1.086 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -0.682 14.595 -2.664 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -0.647 14.216 -0.953 1.00 0.00 H new ATOM 958 N ALA A 62 -2.639 12.152 -4.491 1.00 0.00 N ATOM 959 CA ALA A 62 -3.166 11.767 -5.796 1.00 0.00 C ATOM 960 C ALA A 62 -2.340 10.640 -6.418 1.00 0.00 C ATOM 961 O ALA A 62 -2.889 9.794 -7.123 1.00 0.00 O ATOM 962 CB ALA A 62 -3.244 12.986 -6.716 1.00 0.00 C ATOM 0 H ALA A 62 -2.137 13.040 -4.486 1.00 0.00 H new ATOM 0 HA ALA A 62 -4.177 11.382 -5.661 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.639 12.685 -7.686 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.901 13.734 -6.273 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -2.248 13.409 -6.845 1.00 0.00 H new ATOM 968 N ASP A 63 -1.050 10.577 -6.087 1.00 0.00 N ATOM 969 CA ASP A 63 -0.169 9.473 -6.456 1.00 0.00 C ATOM 970 C ASP A 63 -0.735 8.178 -5.861 1.00 0.00 C ATOM 971 O ASP A 63 -0.836 7.151 -6.537 1.00 0.00 O ATOM 972 CB ASP A 63 1.264 9.737 -5.947 1.00 0.00 C ATOM 973 CG ASP A 63 1.979 10.927 -6.591 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.570 11.398 -7.682 1.00 0.00 O ATOM 975 OD2 ASP A 63 2.962 11.426 -6.003 1.00 0.00 O ATOM 0 H ASP A 63 -0.582 11.304 -5.546 1.00 0.00 H new ATOM 0 HA ASP A 63 -0.120 9.380 -7.541 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.225 9.898 -4.870 1.00 0.00 H new ATOM 0 HB3 ASP A 63 1.862 8.841 -6.114 1.00 0.00 H new ATOM 980 N ALA A 64 -1.176 8.239 -4.599 1.00 0.00 N ATOM 981 CA ALA A 64 -1.826 7.119 -3.934 1.00 0.00 C ATOM 982 C ALA A 64 -3.208 6.838 -4.525 1.00 0.00 C ATOM 983 O ALA A 64 -3.590 5.673 -4.633 1.00 0.00 O ATOM 984 CB ALA A 64 -1.946 7.396 -2.435 1.00 0.00 C ATOM 0 H ALA A 64 -1.089 9.071 -4.015 1.00 0.00 H new ATOM 0 HA ALA A 64 -1.208 6.235 -4.092 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -2.434 6.552 -1.947 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -0.952 7.536 -2.010 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -2.538 8.298 -2.278 1.00 0.00 H new ATOM 990 N LYS A 65 -3.969 7.873 -4.906 1.00 0.00 N ATOM 991 CA LYS A 65 -5.294 7.682 -5.491 1.00 0.00 C ATOM 992 C LYS A 65 -5.215 6.795 -6.715 1.00 0.00 C ATOM 993 O LYS A 65 -6.027 5.879 -6.797 1.00 0.00 O ATOM 994 CB LYS A 65 -5.983 8.991 -5.886 1.00 0.00 C ATOM 995 CG LYS A 65 -6.570 9.737 -4.689 1.00 0.00 C ATOM 996 CD LYS A 65 -7.256 11.007 -5.187 1.00 0.00 C ATOM 997 CE LYS A 65 -7.980 11.703 -4.040 1.00 0.00 C ATOM 998 NZ LYS A 65 -8.498 13.016 -4.460 1.00 0.00 N ATOM 0 H LYS A 65 -3.686 8.849 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 65 -5.891 7.213 -4.709 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -5.265 9.635 -6.393 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -6.778 8.776 -6.600 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -7.285 9.104 -4.163 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -5.783 9.988 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -6.517 11.681 -5.622 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -7.965 10.759 -5.977 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -8.803 11.078 -3.692 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -7.298 11.829 -3.199 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -8.986 13.468 -3.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -7.708 13.618 -4.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -9.166 12.890 -5.247 1.00 0.00 H new ATOM 1012 N ASP A 66 -4.299 7.053 -7.648 1.00 0.00 N ATOM 1013 CA ASP A 66 -4.246 6.281 -8.875 1.00 0.00 C ATOM 1014 C ASP A 66 -3.759 4.873 -8.611 1.00 0.00 C ATOM 1015 O ASP A 66 -4.284 3.924 -9.200 1.00 0.00 O ATOM 1016 CB ASP A 66 -3.332 6.953 -9.906 1.00 0.00 C ATOM 1017 CG ASP A 66 -4.148 7.690 -10.974 1.00 0.00 C ATOM 1018 OD1 ASP A 66 -5.272 7.261 -11.320 1.00 0.00 O ATOM 1019 OD2 ASP A 66 -3.741 8.810 -11.359 1.00 0.00 O ATOM 0 H ASP A 66 -3.593 7.785 -7.573 1.00 0.00 H new ATOM 0 HA ASP A 66 -5.259 6.235 -9.275 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -2.667 7.656 -9.403 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -2.701 6.202 -10.381 1.00 0.00 H new ATOM 1024 N ALA A 67 -2.797 4.708 -7.699 1.00 0.00 N ATOM 1025 CA ALA A 67 -2.376 3.372 -7.324 1.00 0.00 C ATOM 1026 C ALA A 67 -3.566 2.586 -6.741 1.00 0.00 C ATOM 1027 O ALA A 67 -3.701 1.382 -6.973 1.00 0.00 O ATOM 1028 CB ALA A 67 -1.218 3.445 -6.325 1.00 0.00 C ATOM 0 H ALA A 67 -2.311 5.467 -7.222 1.00 0.00 H new ATOM 0 HA ALA A 67 -2.024 2.845 -8.211 1.00 0.00 H new ATOM 0 HB1 ALA A 67 -0.910 2.436 -6.050 1.00 0.00 H new ATOM 0 HB2 ALA A 67 -0.378 3.970 -6.780 1.00 0.00 H new ATOM 0 HB3 ALA A 67 -1.541 3.981 -5.433 1.00 0.00 H new ATOM 1034 N ALA A 68 -4.461 3.274 -6.021 1.00 0.00 N ATOM 1035 CA ALA A 68 -5.724 2.777 -5.488 1.00 0.00 C ATOM 1036 C ALA A 68 -6.871 2.739 -6.516 1.00 0.00 C ATOM 1037 O ALA A 68 -8.019 2.513 -6.117 1.00 0.00 O ATOM 1038 CB ALA A 68 -6.130 3.615 -4.276 1.00 0.00 C ATOM 0 H ALA A 68 -4.307 4.254 -5.783 1.00 0.00 H new ATOM 0 HA ALA A 68 -5.551 1.740 -5.200 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -7.074 3.244 -3.877 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.359 3.543 -3.509 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -6.247 4.656 -4.576 1.00 0.00 H new ATOM 1044 N ARG A 69 -6.611 2.932 -7.811 1.00 0.00 N ATOM 1045 CA ARG A 69 -7.626 2.845 -8.867 1.00 0.00 C ATOM 1046 C ARG A 69 -7.217 1.884 -9.973 1.00 0.00 C ATOM 1047 O ARG A 69 -8.077 1.165 -10.481 1.00 0.00 O ATOM 1048 CB ARG A 69 -7.891 4.242 -9.447 1.00 0.00 C ATOM 1049 CG ARG A 69 -8.605 5.176 -8.459 1.00 0.00 C ATOM 1050 CD ARG A 69 -10.118 4.957 -8.396 1.00 0.00 C ATOM 1051 NE ARG A 69 -10.845 6.180 -8.768 1.00 0.00 N ATOM 1052 CZ ARG A 69 -12.114 6.258 -9.180 1.00 0.00 C ATOM 1053 NH1 ARG A 69 -12.917 5.203 -9.101 1.00 0.00 N ATOM 1054 NH2 ARG A 69 -12.575 7.393 -9.684 1.00 0.00 N ATOM 0 H ARG A 69 -5.680 3.156 -8.161 1.00 0.00 H new ATOM 0 HA ARG A 69 -8.540 2.454 -8.420 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.944 4.692 -9.744 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -8.495 4.146 -10.349 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -8.183 5.031 -7.464 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.407 6.210 -8.741 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -10.399 4.145 -9.066 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -10.403 4.653 -7.389 1.00 0.00 H new ATOM 0 HE ARG A 69 -10.329 7.057 -8.705 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -12.567 4.323 -8.723 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -13.884 5.273 -9.418 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -11.962 8.205 -9.757 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -13.543 7.455 -9.999 1.00 0.00 H new ATOM 1068 N ASP A 70 -5.948 1.885 -10.386 1.00 0.00 N ATOM 1069 CA ASP A 70 -5.462 1.006 -11.450 1.00 0.00 C ATOM 1070 C ASP A 70 -5.395 -0.434 -10.938 1.00 0.00 C ATOM 1071 O ASP A 70 -6.077 -1.319 -11.459 1.00 0.00 O ATOM 1072 CB ASP A 70 -4.088 1.496 -11.952 1.00 0.00 C ATOM 1073 CG ASP A 70 -3.471 0.622 -13.057 1.00 0.00 C ATOM 1074 OD1 ASP A 70 -3.520 -0.618 -13.002 1.00 0.00 O ATOM 1075 OD2 ASP A 70 -2.802 1.154 -13.975 1.00 0.00 O ATOM 0 H ASP A 70 -5.230 2.494 -9.993 1.00 0.00 H new ATOM 0 HA ASP A 70 -6.152 1.032 -12.294 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -4.193 2.514 -12.326 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -3.399 1.536 -11.109 1.00 0.00 H new ATOM 1080 N MET A 71 -4.545 -0.680 -9.938 1.00 0.00 N ATOM 1081 CA MET A 71 -3.998 -2.002 -9.639 1.00 0.00 C ATOM 1082 C MET A 71 -4.923 -2.927 -8.835 1.00 0.00 C ATOM 1083 O MET A 71 -4.546 -4.062 -8.529 1.00 0.00 O ATOM 1084 CB MET A 71 -2.614 -1.836 -8.982 1.00 0.00 C ATOM 1085 CG MET A 71 -1.511 -1.736 -10.041 1.00 0.00 C ATOM 1086 SD MET A 71 0.119 -2.353 -9.525 1.00 0.00 S ATOM 1087 CE MET A 71 -0.277 -4.099 -9.228 1.00 0.00 C ATOM 0 H MET A 71 -4.213 0.047 -9.304 1.00 0.00 H new ATOM 0 HA MET A 71 -3.898 -2.525 -10.590 1.00 0.00 H new ATOM 0 HB2 MET A 71 -2.608 -0.941 -8.360 1.00 0.00 H new ATOM 0 HB3 MET A 71 -2.416 -2.682 -8.324 1.00 0.00 H new ATOM 0 HG2 MET A 71 -1.828 -2.290 -10.925 1.00 0.00 H new ATOM 0 HG3 MET A 71 -1.409 -0.692 -10.338 1.00 0.00 H new ATOM 0 HE1 MET A 71 0.621 -4.703 -9.358 1.00 0.00 H new ATOM 0 HE2 MET A 71 -0.651 -4.219 -8.211 1.00 0.00 H new ATOM 0 HE3 MET A 71 -1.039 -4.425 -9.936 1.00 0.00 H new ATOM 1097 N ASN A 72 -6.132 -2.492 -8.493 1.00 0.00 N ATOM 1098 CA ASN A 72 -7.134 -3.305 -7.817 1.00 0.00 C ATOM 1099 C ASN A 72 -7.570 -4.488 -8.685 1.00 0.00 C ATOM 1100 O ASN A 72 -7.559 -4.409 -9.917 1.00 0.00 O ATOM 1101 CB ASN A 72 -8.342 -2.450 -7.397 1.00 0.00 C ATOM 1102 CG ASN A 72 -9.033 -1.618 -8.478 1.00 0.00 C ATOM 1103 OD1 ASN A 72 -9.714 -0.650 -8.156 1.00 0.00 O ATOM 1104 ND2 ASN A 72 -8.905 -1.940 -9.747 1.00 0.00 N ATOM 0 H ASN A 72 -6.448 -1.541 -8.683 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.679 -3.711 -6.914 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -9.086 -3.114 -6.957 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -8.015 -1.771 -6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -9.372 -1.385 -10.464 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -8.339 -2.745 -10.014 1.00 0.00 H new ATOM 1111 N GLY A 73 -7.988 -5.579 -8.039 1.00 0.00 N ATOM 1112 CA GLY A 73 -8.666 -6.732 -8.638 1.00 0.00 C ATOM 1113 C GLY A 73 -7.838 -7.581 -9.612 1.00 0.00 C ATOM 1114 O GLY A 73 -8.220 -8.724 -9.880 1.00 0.00 O ATOM 0 H GLY A 73 -7.856 -5.688 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -9.015 -7.379 -7.833 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -9.550 -6.373 -9.165 1.00 0.00 H new ATOM 1118 N LYS A 74 -6.727 -7.070 -10.148 1.00 0.00 N ATOM 1119 CA LYS A 74 -5.829 -7.806 -11.031 1.00 0.00 C ATOM 1120 C LYS A 74 -4.841 -8.637 -10.211 1.00 0.00 C ATOM 1121 O LYS A 74 -4.897 -8.651 -8.981 1.00 0.00 O ATOM 1122 CB LYS A 74 -5.173 -6.842 -12.036 1.00 0.00 C ATOM 1123 CG LYS A 74 -4.340 -5.704 -11.423 1.00 0.00 C ATOM 1124 CD LYS A 74 -3.861 -4.707 -12.490 1.00 0.00 C ATOM 1125 CE LYS A 74 -5.024 -3.879 -13.040 1.00 0.00 C ATOM 1126 NZ LYS A 74 -4.579 -2.863 -14.005 1.00 0.00 N ATOM 0 H LYS A 74 -6.423 -6.112 -9.974 1.00 0.00 H new ATOM 0 HA LYS A 74 -6.388 -8.525 -11.629 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -4.531 -7.421 -12.700 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -5.956 -6.402 -12.654 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -4.936 -5.179 -10.677 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -3.478 -6.123 -10.905 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -3.111 -4.043 -12.060 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -3.379 -5.247 -13.305 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -5.744 -4.542 -13.520 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -5.542 -3.391 -12.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -5.403 -2.339 -14.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -3.925 -2.203 -13.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -4.093 -3.327 -14.799 1.00 0.00 H new ATOM 1140 N SER A 75 -3.964 -9.362 -10.899 1.00 0.00 N ATOM 1141 CA SER A 75 -3.082 -10.361 -10.319 1.00 0.00 C ATOM 1142 C SER A 75 -1.635 -9.911 -10.462 1.00 0.00 C ATOM 1143 O SER A 75 -1.299 -9.136 -11.362 1.00 0.00 O ATOM 1144 CB SER A 75 -3.374 -11.682 -11.028 1.00 0.00 C ATOM 1145 OG SER A 75 -2.669 -12.789 -10.507 1.00 0.00 O ATOM 0 H SER A 75 -3.846 -9.265 -11.908 1.00 0.00 H new ATOM 0 HA SER A 75 -3.252 -10.493 -9.251 1.00 0.00 H new ATOM 0 HB2 SER A 75 -4.443 -11.885 -10.967 1.00 0.00 H new ATOM 0 HB3 SER A 75 -3.130 -11.575 -12.085 1.00 0.00 H new ATOM 0 HG SER A 75 -2.345 -12.576 -9.607 1.00 0.00 H new ATOM 1151 N LEU A 76 -0.777 -10.441 -9.598 1.00 0.00 N ATOM 1152 CA LEU A 76 0.664 -10.249 -9.659 1.00 0.00 C ATOM 1153 C LEU A 76 1.312 -11.595 -9.431 1.00 0.00 C ATOM 1154 O LEU A 76 1.159 -12.148 -8.343 1.00 0.00 O ATOM 1155 CB LEU A 76 1.133 -9.234 -8.608 1.00 0.00 C ATOM 1156 CG LEU A 76 2.335 -8.420 -9.110 1.00 0.00 C ATOM 1157 CD1 LEU A 76 2.518 -7.197 -8.217 1.00 0.00 C ATOM 1158 CD2 LEU A 76 3.635 -9.231 -9.121 1.00 0.00 C ATOM 0 H LEU A 76 -1.072 -11.029 -8.819 1.00 0.00 H new ATOM 0 HA LEU A 76 0.948 -9.848 -10.632 1.00 0.00 H new ATOM 0 HB2 LEU A 76 0.313 -8.560 -8.360 1.00 0.00 H new ATOM 0 HB3 LEU A 76 1.404 -9.757 -7.691 1.00 0.00 H new ATOM 0 HG LEU A 76 2.124 -8.127 -10.139 1.00 0.00 H new ATOM 0 HD11 LEU A 76 3.370 -6.615 -8.568 1.00 0.00 H new ATOM 0 HD12 LEU A 76 1.619 -6.582 -8.253 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.696 -7.519 -7.191 1.00 0.00 H new ATOM 0 HD21 LEU A 76 4.451 -8.606 -9.485 1.00 0.00 H new ATOM 0 HD22 LEU A 76 3.861 -9.570 -8.110 1.00 0.00 H new ATOM 0 HD23 LEU A 76 3.520 -10.094 -9.776 1.00 0.00 H new ATOM 1170 N ASP A 77 2.017 -12.127 -10.429 1.00 0.00 N ATOM 1171 CA ASP A 77 2.826 -13.340 -10.287 1.00 0.00 C ATOM 1172 C ASP A 77 1.963 -14.482 -9.729 1.00 0.00 C ATOM 1173 O ASP A 77 2.323 -15.200 -8.794 1.00 0.00 O ATOM 1174 CB ASP A 77 4.127 -13.008 -9.517 1.00 0.00 C ATOM 1175 CG ASP A 77 5.231 -12.528 -10.457 1.00 0.00 C ATOM 1176 OD1 ASP A 77 4.936 -11.775 -11.413 1.00 0.00 O ATOM 1177 OD2 ASP A 77 6.403 -12.930 -10.277 1.00 0.00 O ATOM 0 H ASP A 77 2.044 -11.726 -11.367 1.00 0.00 H new ATOM 0 HA ASP A 77 3.171 -13.717 -11.250 1.00 0.00 H new ATOM 0 HB2 ASP A 77 3.923 -12.239 -8.772 1.00 0.00 H new ATOM 0 HB3 ASP A 77 4.467 -13.892 -8.978 1.00 0.00 H new ATOM 1182 N GLY A 78 0.764 -14.608 -10.304 1.00 0.00 N ATOM 1183 CA GLY A 78 -0.229 -15.610 -9.966 1.00 0.00 C ATOM 1184 C GLY A 78 -0.961 -15.361 -8.646 1.00 0.00 C ATOM 1185 O GLY A 78 -1.636 -16.276 -8.178 1.00 0.00 O ATOM 0 H GLY A 78 0.453 -13.984 -11.049 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -0.964 -15.660 -10.770 1.00 0.00 H new ATOM 0 HA3 GLY A 78 0.258 -16.584 -9.918 1.00 0.00 H new ATOM 1189 N LYS A 79 -0.868 -14.179 -8.023 1.00 0.00 N ATOM 1190 CA LYS A 79 -1.505 -13.867 -6.741 1.00 0.00 C ATOM 1191 C LYS A 79 -2.591 -12.844 -6.999 1.00 0.00 C ATOM 1192 O LYS A 79 -2.314 -11.779 -7.552 1.00 0.00 O ATOM 1193 CB LYS A 79 -0.505 -13.293 -5.724 1.00 0.00 C ATOM 1194 CG LYS A 79 0.764 -14.117 -5.508 1.00 0.00 C ATOM 1195 CD LYS A 79 0.541 -15.576 -5.104 1.00 0.00 C ATOM 1196 CE LYS A 79 1.895 -16.163 -4.674 1.00 0.00 C ATOM 1197 NZ LYS A 79 1.913 -17.636 -4.670 1.00 0.00 N ATOM 0 H LYS A 79 -0.336 -13.398 -8.406 1.00 0.00 H new ATOM 0 HA LYS A 79 -1.910 -14.787 -6.319 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -0.217 -12.294 -6.049 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -1.012 -13.182 -4.766 1.00 0.00 H new ATOM 0 HG2 LYS A 79 1.349 -14.098 -6.427 1.00 0.00 H new ATOM 0 HG3 LYS A 79 1.364 -13.633 -4.738 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.178 -15.639 -4.287 1.00 0.00 H new ATOM 0 HD3 LYS A 79 0.127 -16.143 -5.938 1.00 0.00 H new ATOM 0 HE2 LYS A 79 2.672 -15.798 -5.346 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.141 -15.800 -3.676 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 2.851 -17.971 -4.372 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.193 -17.990 -4.009 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 1.708 -17.988 -5.627 1.00 0.00 H new ATOM 1211 N ALA A 80 -3.824 -13.154 -6.617 1.00 0.00 N ATOM 1212 CA ALA A 80 -4.952 -12.241 -6.712 1.00 0.00 C ATOM 1213 C ALA A 80 -4.850 -11.198 -5.596 1.00 0.00 C ATOM 1214 O ALA A 80 -5.480 -11.326 -4.544 1.00 0.00 O ATOM 1215 CB ALA A 80 -6.245 -13.046 -6.626 1.00 0.00 C ATOM 0 H ALA A 80 -4.070 -14.063 -6.226 1.00 0.00 H new ATOM 0 HA ALA A 80 -4.946 -11.710 -7.664 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -7.099 -12.372 -6.696 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -6.282 -13.764 -7.445 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -6.280 -13.578 -5.675 1.00 0.00 H new ATOM 1221 N ILE A 81 -4.002 -10.199 -5.815 1.00 0.00 N ATOM 1222 CA ILE A 81 -3.751 -9.119 -4.875 1.00 0.00 C ATOM 1223 C ILE A 81 -4.989 -8.222 -4.732 1.00 0.00 C ATOM 1224 O ILE A 81 -5.919 -8.250 -5.548 1.00 0.00 O ATOM 1225 CB ILE A 81 -2.485 -8.335 -5.294 1.00 0.00 C ATOM 1226 CG1 ILE A 81 -2.563 -7.825 -6.755 1.00 0.00 C ATOM 1227 CG2 ILE A 81 -1.263 -9.264 -5.175 1.00 0.00 C ATOM 1228 CD1 ILE A 81 -1.559 -6.720 -7.111 1.00 0.00 C ATOM 0 H ILE A 81 -3.458 -10.118 -6.674 1.00 0.00 H new ATOM 0 HA ILE A 81 -3.559 -9.536 -3.887 1.00 0.00 H new ATOM 0 HB ILE A 81 -2.402 -7.470 -4.636 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -2.405 -8.668 -7.427 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -3.571 -7.453 -6.941 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -0.364 -8.722 -5.468 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -1.163 -9.603 -4.144 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -1.396 -10.126 -5.829 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -1.692 -6.430 -8.153 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.727 -5.855 -6.469 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.544 -7.089 -6.963 1.00 0.00 H new ATOM 1240 N LYS A 82 -4.991 -7.388 -3.694 1.00 0.00 N ATOM 1241 CA LYS A 82 -6.018 -6.387 -3.424 1.00 0.00 C ATOM 1242 C LYS A 82 -5.334 -5.068 -3.127 1.00 0.00 C ATOM 1243 O LYS A 82 -4.253 -5.070 -2.539 1.00 0.00 O ATOM 1244 CB LYS A 82 -6.866 -6.819 -2.217 1.00 0.00 C ATOM 1245 CG LYS A 82 -7.779 -7.985 -2.595 1.00 0.00 C ATOM 1246 CD LYS A 82 -8.680 -8.436 -1.448 1.00 0.00 C ATOM 1247 CE LYS A 82 -9.294 -9.813 -1.726 1.00 0.00 C ATOM 1248 NZ LYS A 82 -10.047 -9.885 -2.996 1.00 0.00 N ATOM 0 H LYS A 82 -4.250 -7.392 -2.993 1.00 0.00 H new ATOM 0 HA LYS A 82 -6.673 -6.282 -4.289 1.00 0.00 H new ATOM 0 HB2 LYS A 82 -6.215 -7.111 -1.393 1.00 0.00 H new ATOM 0 HB3 LYS A 82 -7.465 -5.979 -1.867 1.00 0.00 H new ATOM 0 HG2 LYS A 82 -8.399 -7.693 -3.443 1.00 0.00 H new ATOM 0 HG3 LYS A 82 -7.168 -8.826 -2.921 1.00 0.00 H new ATOM 0 HD2 LYS A 82 -8.103 -8.473 -0.524 1.00 0.00 H new ATOM 0 HD3 LYS A 82 -9.475 -7.705 -1.299 1.00 0.00 H new ATOM 0 HE2 LYS A 82 -8.499 -10.558 -1.743 1.00 0.00 H new ATOM 0 HE3 LYS A 82 -9.960 -10.076 -0.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 -10.503 -10.816 -3.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 -10.773 -9.141 -3.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 -9.395 -9.749 -3.795 1.00 0.00 H new ATOM 1262 N VAL A 83 -5.976 -3.958 -3.470 1.00 0.00 N ATOM 1263 CA VAL A 83 -5.639 -2.625 -2.986 1.00 0.00 C ATOM 1264 C VAL A 83 -6.943 -2.066 -2.412 1.00 0.00 C ATOM 1265 O VAL A 83 -8.019 -2.341 -2.957 1.00 0.00 O ATOM 1266 CB VAL A 83 -5.090 -1.724 -4.120 1.00 0.00 C ATOM 1267 CG1 VAL A 83 -4.547 -0.403 -3.546 1.00 0.00 C ATOM 1268 CG2 VAL A 83 -3.956 -2.331 -4.954 1.00 0.00 C ATOM 0 H VAL A 83 -6.769 -3.961 -4.112 1.00 0.00 H new ATOM 0 HA VAL A 83 -4.847 -2.660 -2.237 1.00 0.00 H new ATOM 0 HB VAL A 83 -5.951 -1.585 -4.774 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -4.166 0.217 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -5.348 0.127 -3.031 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -3.742 -0.616 -2.843 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -3.646 -1.619 -5.719 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -3.110 -2.559 -4.306 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -4.305 -3.247 -5.431 1.00 0.00 H new ATOM 1278 N GLU A 84 -6.885 -1.321 -1.311 1.00 0.00 N ATOM 1279 CA GLU A 84 -8.040 -0.629 -0.766 1.00 0.00 C ATOM 1280 C GLU A 84 -7.628 0.605 0.031 1.00 0.00 C ATOM 1281 O GLU A 84 -6.454 0.811 0.359 1.00 0.00 O ATOM 1282 CB GLU A 84 -8.928 -1.600 0.035 1.00 0.00 C ATOM 1283 CG GLU A 84 -8.245 -2.538 1.036 1.00 0.00 C ATOM 1284 CD GLU A 84 -9.144 -3.704 1.466 1.00 0.00 C ATOM 1285 OE1 GLU A 84 -10.291 -3.817 0.980 1.00 0.00 O ATOM 1286 OE2 GLU A 84 -8.696 -4.562 2.257 1.00 0.00 O ATOM 0 H GLU A 84 -6.030 -1.183 -0.773 1.00 0.00 H new ATOM 0 HA GLU A 84 -8.646 -0.260 -1.593 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -9.663 -1.008 0.580 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -9.478 -2.215 -0.677 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.332 -2.934 0.591 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.950 -1.969 1.917 1.00 0.00 H new ATOM 1293 N GLN A 85 -8.613 1.462 0.297 1.00 0.00 N ATOM 1294 CA GLN A 85 -8.435 2.712 1.005 1.00 0.00 C ATOM 1295 C GLN A 85 -8.605 2.440 2.496 1.00 0.00 C ATOM 1296 O GLN A 85 -9.729 2.259 2.977 1.00 0.00 O ATOM 1297 CB GLN A 85 -9.450 3.750 0.512 1.00 0.00 C ATOM 1298 CG GLN A 85 -9.353 4.007 -0.998 1.00 0.00 C ATOM 1299 CD GLN A 85 -10.246 5.179 -1.372 1.00 0.00 C ATOM 1300 OE1 GLN A 85 -11.337 5.018 -1.922 1.00 0.00 O ATOM 1301 NE2 GLN A 85 -9.786 6.373 -1.070 1.00 0.00 N ATOM 0 H GLN A 85 -9.579 1.294 0.015 1.00 0.00 H new ATOM 0 HA GLN A 85 -7.440 3.117 0.820 1.00 0.00 H new ATOM 0 HB2 GLN A 85 -10.457 3.410 0.754 1.00 0.00 H new ATOM 0 HB3 GLN A 85 -9.293 4.687 1.046 1.00 0.00 H new ATOM 0 HG2 GLN A 85 -8.321 4.220 -1.276 1.00 0.00 H new ATOM 0 HG3 GLN A 85 -9.654 3.116 -1.549 1.00 0.00 H new ATOM 0 HE21 GLN A 85 -8.878 6.470 -0.615 1.00 0.00 H new ATOM 0 HE22 GLN A 85 -10.337 7.203 -1.291 1.00 0.00 H new ATOM 1310 N ALA A 86 -7.493 2.440 3.234 1.00 0.00 N ATOM 1311 CA ALA A 86 -7.515 2.364 4.697 1.00 0.00 C ATOM 1312 C ALA A 86 -7.809 3.766 5.252 1.00 0.00 C ATOM 1313 O ALA A 86 -6.971 4.379 5.922 1.00 0.00 O ATOM 1314 CB ALA A 86 -6.220 1.759 5.262 1.00 0.00 C ATOM 0 H ALA A 86 -6.555 2.492 2.837 1.00 0.00 H new ATOM 0 HA ALA A 86 -8.306 1.686 5.017 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -6.280 1.722 6.350 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -6.089 0.750 4.871 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -5.371 2.376 4.966 1.00 0.00 H new ATOM 1320 N THR A 87 -8.966 4.318 4.885 1.00 0.00 N ATOM 1321 CA THR A 87 -9.468 5.634 5.247 1.00 0.00 C ATOM 1322 C THR A 87 -10.873 5.789 4.659 1.00 0.00 C ATOM 1323 O THR A 87 -11.419 4.874 4.039 1.00 0.00 O ATOM 1324 CB THR A 87 -8.489 6.732 4.765 1.00 0.00 C ATOM 1325 OG1 THR A 87 -8.793 8.015 5.285 1.00 0.00 O ATOM 1326 CG2 THR A 87 -8.397 6.842 3.239 1.00 0.00 C ATOM 0 H THR A 87 -9.620 3.817 4.284 1.00 0.00 H new ATOM 0 HA THR A 87 -9.537 5.742 6.329 1.00 0.00 H new ATOM 0 HB THR A 87 -7.525 6.404 5.154 1.00 0.00 H new ATOM 0 HG1 THR A 87 -8.143 8.667 4.949 1.00 0.00 H new ATOM 0 HG21 THR A 87 -7.693 7.631 2.973 1.00 0.00 H new ATOM 0 HG22 THR A 87 -8.053 5.894 2.826 1.00 0.00 H new ATOM 0 HG23 THR A 87 -9.380 7.080 2.831 1.00 0.00 H new ATOM 1334 N LYS A 88 -11.463 6.958 4.883 1.00 0.00 N ATOM 1335 CA LYS A 88 -12.810 7.370 4.550 1.00 0.00 C ATOM 1336 C LYS A 88 -12.776 8.896 4.368 1.00 0.00 C ATOM 1337 O LYS A 88 -11.754 9.501 4.732 1.00 0.00 O ATOM 1338 CB LYS A 88 -13.736 6.861 5.666 1.00 0.00 C ATOM 1339 CG LYS A 88 -13.745 7.714 6.950 1.00 0.00 C ATOM 1340 CD LYS A 88 -13.932 6.895 8.234 1.00 0.00 C ATOM 1341 CE LYS A 88 -15.023 5.829 8.090 1.00 0.00 C ATOM 1342 NZ LYS A 88 -15.530 5.357 9.394 1.00 0.00 N ATOM 0 H LYS A 88 -10.955 7.710 5.348 1.00 0.00 H new ATOM 0 HA LYS A 88 -13.198 6.952 3.621 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -14.753 6.808 5.277 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -13.441 5.844 5.926 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -12.807 8.266 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -14.545 8.451 6.880 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -12.990 6.414 8.496 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -14.187 7.564 9.055 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -15.850 6.237 7.509 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -14.627 4.982 7.530 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -15.681 4.329 9.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -14.836 5.578 10.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -16.430 5.832 9.609 1.00 0.00 H new ATOM 1356 N PRO A 89 -13.795 9.541 3.789 1.00 0.00 N ATOM 1357 CA PRO A 89 -13.840 10.999 3.698 1.00 0.00 C ATOM 1358 C PRO A 89 -14.080 11.608 5.094 1.00 0.00 C ATOM 1359 O PRO A 89 -13.968 10.907 6.106 1.00 0.00 O ATOM 1360 CB PRO A 89 -14.978 11.268 2.708 1.00 0.00 C ATOM 1361 CG PRO A 89 -15.960 10.137 2.999 1.00 0.00 C ATOM 1362 CD PRO A 89 -15.039 8.958 3.304 1.00 0.00 C ATOM 0 HA PRO A 89 -12.912 11.456 3.354 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -15.430 12.247 2.869 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -14.629 11.244 1.676 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -16.609 10.372 3.843 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -16.607 9.934 2.146 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -15.481 8.300 4.053 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -14.867 8.355 2.412 1.00 0.00 H new ATOM 1370 N SER A 90 -14.456 12.887 5.162 1.00 0.00 N ATOM 1371 CA SER A 90 -15.132 13.440 6.333 1.00 0.00 C ATOM 1372 C SER A 90 -16.220 12.465 6.791 1.00 0.00 C ATOM 1373 O SER A 90 -17.128 12.167 6.011 1.00 0.00 O ATOM 1374 CB SER A 90 -15.831 14.752 5.964 1.00 0.00 C ATOM 1375 OG SER A 90 -14.929 15.809 5.690 1.00 0.00 O ATOM 0 H SER A 90 -14.301 13.562 4.413 1.00 0.00 H new ATOM 0 HA SER A 90 -14.391 13.607 7.115 1.00 0.00 H new ATOM 0 HB2 SER A 90 -16.462 14.586 5.091 1.00 0.00 H new ATOM 0 HB3 SER A 90 -16.489 15.048 6.781 1.00 0.00 H new ATOM 0 HG SER A 90 -15.433 16.617 5.460 1.00 0.00 H new ATOM 1381 N PHE A 91 -16.163 11.977 8.033 1.00 0.00 N ATOM 1382 CA PHE A 91 -17.354 11.403 8.649 1.00 0.00 C ATOM 1383 C PHE A 91 -18.202 12.540 9.221 1.00 0.00 C ATOM 1384 O PHE A 91 -17.680 13.594 9.590 1.00 0.00 O ATOM 1385 CB PHE A 91 -16.999 10.390 9.746 1.00 0.00 C ATOM 1386 CG PHE A 91 -17.931 9.193 9.780 1.00 0.00 C ATOM 1387 CD1 PHE A 91 -19.203 9.258 10.380 1.00 0.00 C ATOM 1388 CD2 PHE A 91 -17.541 8.007 9.148 1.00 0.00 C ATOM 1389 CE1 PHE A 91 -20.066 8.153 10.365 1.00 0.00 C ATOM 1390 CE2 PHE A 91 -18.392 6.891 9.154 1.00 0.00 C ATOM 1391 CZ PHE A 91 -19.657 6.963 9.752 1.00 0.00 C ATOM 0 H PHE A 91 -15.326 11.968 8.616 1.00 0.00 H new ATOM 0 HA PHE A 91 -17.916 10.860 7.890 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -15.977 10.042 9.593 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -17.024 10.889 10.714 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -19.519 10.173 10.859 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -16.582 7.950 8.654 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -21.041 8.220 10.824 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -18.069 5.969 8.694 1.00 0.00 H new ATOM 0 HZ PHE A 91 -20.313 6.105 9.740 1.00 0.00 H new ATOM 1401 N GLU A 92 -19.503 12.308 9.318 1.00 0.00 N ATOM 1402 CA GLU A 92 -20.409 13.005 10.227 1.00 0.00 C ATOM 1403 C GLU A 92 -20.248 12.392 11.628 1.00 0.00 C ATOM 1404 O GLU A 92 -21.243 11.840 12.160 1.00 0.00 O ATOM 1405 CB GLU A 92 -21.848 12.864 9.698 1.00 0.00 C ATOM 1406 CG GLU A 92 -22.075 13.401 8.277 1.00 0.00 C ATOM 1407 CD GLU A 92 -23.556 13.327 7.889 1.00 0.00 C ATOM 1408 OE1 GLU A 92 -24.145 12.222 7.841 1.00 0.00 O ATOM 1409 OE2 GLU A 92 -24.158 14.395 7.607 1.00 0.00 O ATOM 0 H GLU A 92 -19.975 11.606 8.748 1.00 0.00 H new ATOM 0 HA GLU A 92 -20.179 14.069 10.287 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -22.125 11.810 9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -22.521 13.385 10.379 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -21.731 14.434 8.216 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -21.481 12.825 7.568 1.00 0.00 H new TER 1416 GLU A 92