USER MOD reduce.3.24.130724 H: found=0, std=0, add=708, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 704 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 45 CYS SG : rot -133:sc= -3.97! USER MOD Set 1.2: A 48 CYS SG : rot 131:sc= -2.3! USER MOD Set 1.3: A 86 CYS SG : rot -85:sc= -13.3! USER MOD Set 2.1: A 33 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 85 SER OG : rot 41:sc= -4.17! USER MOD Set 3.1: A 22 SER OG : rot 180:sc= 0.269 USER MOD Set 3.2: A 25 GLN : amide:sc= -5.03! C(o=-4.8!,f=-2.6!) USER MOD Single : A 1 SER N :NH3+ -153:sc= -0.614! (180deg=-1.48!) USER MOD Single : A 1 SER OG : rot -159:sc= -1.53! USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 TYR OH : rot -91:sc= -1.88! USER MOD Single : A 7 SER OG : rot 127:sc= -3.69! USER MOD Single : A 8 HIS : no HD1:sc= -3.9! C(o=-3.9!,f=-3.7!) USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 MET CE :methyl -136:sc= -4.79! (180deg=-8.23!) USER MOD Single : A 29 SER OG : rot 180:sc= -0.118 USER MOD Single : A 30 ASN : amide:sc= -7.04! C(o=-7!,f=-5.1!) USER MOD Single : A 42 SER OG : rot -166:sc= -2.31! USER MOD Single : A 44 SER OG : rot -41:sc= 0.261 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= -14.7! C(o=-15!,f=-18!) USER MOD Single : A 51 TYR OH : rot -170:sc= -0.404 USER MOD Single : A 53 ASN : amide:sc= -17.3! C(o=-17!,f=-16!) USER MOD Single : A 57 THR OG1 : rot 110:sc= -0.721 USER MOD Single : A 59 LYS NZ :NH3+ -173:sc= 0.0174 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= -2.49! C(o=-2.5!,f=-9.9!) USER MOD Single : A 70 MET CE :methyl -141:sc= -19.9! (180deg=-26.2!) USER MOD Single : A 73 CYS SG : rot 180:sc= 0 USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 ASN : amide:sc= -0.6! C(o=-0.6!,f=-11!) USER MOD Single : A 82 SER OG : rot -74:sc= -6.96! USER MOD Single : A 87 GLN : amide:sc= -8.84! C(o=-8.8!,f=-12!) USER MOD Single : A 90 MET CE :methyl 176:sc= -3.96! (180deg=-3.99!) USER MOD Single : A 91 THR OG1 : rot -120:sc= -1.99! USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 2.245 -10.900 -8.836 1.00 0.00 N ATOM 2 CA SER A 1 2.646 -9.696 -9.616 1.00 0.00 C ATOM 3 C SER A 1 3.890 -9.049 -8.999 1.00 0.00 C ATOM 4 O SER A 1 4.137 -9.156 -7.815 1.00 0.00 O ATOM 5 CB SER A 1 1.456 -8.740 -9.518 1.00 0.00 C ATOM 6 OG SER A 1 0.356 -9.417 -8.920 1.00 0.00 O ATOM 0 H1 SER A 1 1.742 -11.565 -9.458 1.00 0.00 H new ATOM 0 H2 SER A 1 3.093 -11.362 -8.450 1.00 0.00 H new ATOM 0 H3 SER A 1 1.620 -10.615 -8.055 1.00 0.00 H new ATOM 0 HA SER A 1 2.891 -9.945 -10.648 1.00 0.00 H new ATOM 0 HB2 SER A 1 1.725 -7.866 -8.925 1.00 0.00 H new ATOM 0 HB3 SER A 1 1.181 -8.381 -10.510 1.00 0.00 H new ATOM 0 HG SER A 1 -0.476 -8.950 -9.144 1.00 0.00 H new ATOM 14 N LYS A 2 4.668 -8.367 -9.795 1.00 0.00 N ATOM 15 CA LYS A 2 5.888 -7.698 -9.261 1.00 0.00 C ATOM 16 C LYS A 2 5.490 -6.451 -8.474 1.00 0.00 C ATOM 17 O LYS A 2 4.880 -5.546 -9.009 1.00 0.00 O ATOM 18 CB LYS A 2 6.688 -7.297 -10.498 1.00 0.00 C ATOM 19 CG LYS A 2 8.181 -7.297 -10.164 1.00 0.00 C ATOM 20 CD LYS A 2 8.975 -7.806 -11.370 1.00 0.00 C ATOM 21 CE LYS A 2 9.328 -6.629 -12.282 1.00 0.00 C ATOM 22 NZ LYS A 2 8.564 -6.873 -13.538 1.00 0.00 N ATOM 0 H LYS A 2 4.510 -8.244 -10.795 1.00 0.00 H new ATOM 0 HA LYS A 2 6.457 -8.344 -8.592 1.00 0.00 H new ATOM 0 HB2 LYS A 2 6.487 -7.991 -11.314 1.00 0.00 H new ATOM 0 HB3 LYS A 2 6.381 -6.308 -10.838 1.00 0.00 H new ATOM 0 HG2 LYS A 2 8.505 -6.290 -9.900 1.00 0.00 H new ATOM 0 HG3 LYS A 2 8.370 -7.930 -9.297 1.00 0.00 H new ATOM 0 HD2 LYS A 2 9.884 -8.306 -11.036 1.00 0.00 H new ATOM 0 HD3 LYS A 2 8.389 -8.543 -11.920 1.00 0.00 H new ATOM 0 HE2 LYS A 2 9.047 -5.679 -11.827 1.00 0.00 H new ATOM 0 HE3 LYS A 2 10.400 -6.586 -12.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 8.754 -6.106 -14.215 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 8.857 -7.781 -13.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 7.546 -6.902 -13.325 1.00 0.00 H new ATOM 36 N VAL A 3 5.818 -6.381 -7.213 1.00 0.00 N ATOM 37 CA VAL A 3 5.434 -5.173 -6.438 1.00 0.00 C ATOM 38 C VAL A 3 6.669 -4.462 -5.885 1.00 0.00 C ATOM 39 O VAL A 3 7.654 -5.078 -5.530 1.00 0.00 O ATOM 40 CB VAL A 3 4.557 -5.690 -5.305 1.00 0.00 C ATOM 41 CG1 VAL A 3 4.429 -4.613 -4.235 1.00 0.00 C ATOM 42 CG2 VAL A 3 3.172 -6.010 -5.852 1.00 0.00 C ATOM 0 H VAL A 3 6.327 -7.097 -6.694 1.00 0.00 H new ATOM 0 HA VAL A 3 4.913 -4.443 -7.058 1.00 0.00 H new ATOM 0 HB VAL A 3 5.005 -6.586 -4.876 1.00 0.00 H new ATOM 0 HG11 VAL A 3 3.802 -4.980 -3.423 1.00 0.00 H new ATOM 0 HG12 VAL A 3 5.417 -4.366 -3.847 1.00 0.00 H new ATOM 0 HG13 VAL A 3 3.976 -3.721 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 3 2.539 -6.381 -5.046 1.00 0.00 H new ATOM 0 HG22 VAL A 3 2.730 -5.108 -6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 3 3.254 -6.771 -6.628 1.00 0.00 H new ATOM 52 N VAL A 4 6.606 -3.163 -5.801 1.00 0.00 N ATOM 53 CA VAL A 4 7.763 -2.390 -5.258 1.00 0.00 C ATOM 54 C VAL A 4 7.278 -1.406 -4.204 1.00 0.00 C ATOM 55 O VAL A 4 6.386 -0.616 -4.432 1.00 0.00 O ATOM 56 CB VAL A 4 8.375 -1.670 -6.455 1.00 0.00 C ATOM 57 CG1 VAL A 4 9.264 -0.524 -5.969 1.00 0.00 C ATOM 58 CG2 VAL A 4 9.217 -2.657 -7.267 1.00 0.00 C ATOM 0 H VAL A 4 5.804 -2.600 -6.084 1.00 0.00 H new ATOM 0 HA VAL A 4 8.500 -3.030 -4.773 1.00 0.00 H new ATOM 0 HB VAL A 4 7.577 -1.268 -7.080 1.00 0.00 H new ATOM 0 HG11 VAL A 4 9.699 -0.012 -6.827 1.00 0.00 H new ATOM 0 HG12 VAL A 4 8.666 0.181 -5.391 1.00 0.00 H new ATOM 0 HG13 VAL A 4 10.061 -0.923 -5.342 1.00 0.00 H new ATOM 0 HG21 VAL A 4 9.655 -2.143 -8.123 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.012 -3.059 -6.639 1.00 0.00 H new ATOM 0 HG23 VAL A 4 8.584 -3.472 -7.618 1.00 0.00 H new ATOM 68 N TYR A 5 7.858 -1.474 -3.047 1.00 0.00 N ATOM 69 CA TYR A 5 7.438 -0.585 -1.935 1.00 0.00 C ATOM 70 C TYR A 5 8.392 0.580 -1.750 1.00 0.00 C ATOM 71 O TYR A 5 9.594 0.426 -1.786 1.00 0.00 O ATOM 72 CB TYR A 5 7.486 -1.488 -0.718 1.00 0.00 C ATOM 73 CG TYR A 5 6.644 -2.690 -1.004 1.00 0.00 C ATOM 74 CD1 TYR A 5 5.270 -2.523 -1.205 1.00 0.00 C ATOM 75 CD2 TYR A 5 7.213 -3.971 -1.075 1.00 0.00 C ATOM 76 CE1 TYR A 5 4.463 -3.632 -1.471 1.00 0.00 C ATOM 77 CE2 TYR A 5 6.407 -5.056 -1.332 1.00 0.00 C ATOM 78 CZ TYR A 5 5.033 -4.905 -1.530 1.00 0.00 C ATOM 79 OH TYR A 5 4.244 -6.008 -1.782 1.00 0.00 O ATOM 0 H TYR A 5 8.617 -2.117 -2.819 1.00 0.00 H new ATOM 0 HA TYR A 5 6.459 -0.142 -2.117 1.00 0.00 H new ATOM 0 HB2 TYR A 5 8.513 -1.784 -0.503 1.00 0.00 H new ATOM 0 HB3 TYR A 5 7.115 -0.963 0.162 1.00 0.00 H new ATOM 0 HD1 TYR A 5 4.833 -1.537 -1.155 1.00 0.00 H new ATOM 0 HD2 TYR A 5 8.275 -4.104 -0.929 1.00 0.00 H new ATOM 0 HE1 TYR A 5 3.402 -3.505 -1.630 1.00 0.00 H new ATOM 0 HE2 TYR A 5 6.845 -6.042 -1.381 1.00 0.00 H new ATOM 0 HH TYR A 5 3.929 -6.385 -0.934 1.00 0.00 H new ATOM 89 N VAL A 6 7.857 1.740 -1.524 1.00 0.00 N ATOM 90 CA VAL A 6 8.741 2.921 -1.301 1.00 0.00 C ATOM 91 C VAL A 6 8.467 3.525 0.065 1.00 0.00 C ATOM 92 O VAL A 6 7.334 3.770 0.429 1.00 0.00 O ATOM 93 CB VAL A 6 8.399 3.941 -2.386 1.00 0.00 C ATOM 94 CG1 VAL A 6 9.568 4.919 -2.549 1.00 0.00 C ATOM 95 CG2 VAL A 6 8.151 3.227 -3.707 1.00 0.00 C ATOM 0 H VAL A 6 6.855 1.927 -1.483 1.00 0.00 H new ATOM 0 HA VAL A 6 9.791 2.633 -1.343 1.00 0.00 H new ATOM 0 HB VAL A 6 7.500 4.485 -2.098 1.00 0.00 H new ATOM 0 HG11 VAL A 6 9.327 5.648 -3.323 1.00 0.00 H new ATOM 0 HG12 VAL A 6 9.744 5.436 -1.606 1.00 0.00 H new ATOM 0 HG13 VAL A 6 10.465 4.370 -2.835 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.908 3.960 -4.476 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.047 2.679 -3.998 1.00 0.00 H new ATOM 0 HG23 VAL A 6 7.320 2.530 -3.594 1.00 0.00 H new ATOM 105 N SER A 7 9.488 3.804 0.812 1.00 0.00 N ATOM 106 CA SER A 7 9.262 4.431 2.132 1.00 0.00 C ATOM 107 C SER A 7 9.013 5.917 1.899 1.00 0.00 C ATOM 108 O SER A 7 8.573 6.316 0.840 1.00 0.00 O ATOM 109 CB SER A 7 10.557 4.212 2.913 1.00 0.00 C ATOM 110 OG SER A 7 11.642 4.774 2.188 1.00 0.00 O ATOM 0 H SER A 7 10.462 3.627 0.568 1.00 0.00 H new ATOM 0 HA SER A 7 8.412 4.017 2.675 1.00 0.00 H new ATOM 0 HB2 SER A 7 10.484 4.674 3.898 1.00 0.00 H new ATOM 0 HB3 SER A 7 10.724 3.147 3.072 1.00 0.00 H new ATOM 0 HG SER A 7 12.140 5.388 2.768 1.00 0.00 H new ATOM 116 N HIS A 8 9.310 6.741 2.848 1.00 0.00 N ATOM 117 CA HIS A 8 9.107 8.201 2.631 1.00 0.00 C ATOM 118 C HIS A 8 10.472 8.884 2.534 1.00 0.00 C ATOM 119 O HIS A 8 10.579 10.043 2.185 1.00 0.00 O ATOM 120 CB HIS A 8 8.285 8.725 3.822 1.00 0.00 C ATOM 121 CG HIS A 8 8.385 7.802 5.004 1.00 0.00 C ATOM 122 ND1 HIS A 8 7.269 7.189 5.527 1.00 0.00 N ATOM 123 CD2 HIS A 8 9.444 7.386 5.774 1.00 0.00 C ATOM 124 CE1 HIS A 8 7.667 6.437 6.569 1.00 0.00 C ATOM 125 NE2 HIS A 8 8.986 6.520 6.764 1.00 0.00 N ATOM 0 H HIS A 8 9.682 6.478 3.761 1.00 0.00 H new ATOM 0 HA HIS A 8 8.572 8.410 1.705 1.00 0.00 H new ATOM 0 HB2 HIS A 8 8.639 9.717 4.102 1.00 0.00 H new ATOM 0 HB3 HIS A 8 7.241 8.830 3.528 1.00 0.00 H new ATOM 0 HD2 HIS A 8 10.472 7.684 5.633 1.00 0.00 H new ATOM 0 HE1 HIS A 8 7.001 5.839 7.174 1.00 0.00 H new ATOM 0 HE2 HIS A 8 9.538 6.051 7.482 1.00 0.00 H new ATOM 133 N ASP A 9 11.522 8.155 2.812 1.00 0.00 N ATOM 134 CA ASP A 9 12.889 8.732 2.707 1.00 0.00 C ATOM 135 C ASP A 9 13.532 8.287 1.387 1.00 0.00 C ATOM 136 O ASP A 9 14.665 8.612 1.094 1.00 0.00 O ATOM 137 CB ASP A 9 13.656 8.160 3.901 1.00 0.00 C ATOM 138 CG ASP A 9 13.867 6.658 3.700 1.00 0.00 C ATOM 139 OD1 ASP A 9 14.864 6.296 3.097 1.00 0.00 O ATOM 140 OD2 ASP A 9 13.030 5.896 4.153 1.00 0.00 O ATOM 0 H ASP A 9 11.488 7.180 3.109 1.00 0.00 H new ATOM 0 HA ASP A 9 12.888 9.822 2.717 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.618 8.663 4.004 1.00 0.00 H new ATOM 0 HB3 ASP A 9 13.102 8.340 4.823 1.00 0.00 H new ATOM 145 N GLY A 10 12.809 7.542 0.589 1.00 0.00 N ATOM 146 CA GLY A 10 13.366 7.073 -0.714 1.00 0.00 C ATOM 147 C GLY A 10 13.609 5.560 -0.669 1.00 0.00 C ATOM 148 O GLY A 10 13.677 4.907 -1.691 1.00 0.00 O ATOM 0 H GLY A 10 11.855 7.238 0.785 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.675 7.314 -1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 10 14.300 7.593 -0.927 1.00 0.00 H new ATOM 152 N THR A 11 13.739 4.994 0.502 1.00 0.00 N ATOM 153 CA THR A 11 13.972 3.534 0.596 1.00 0.00 C ATOM 154 C THR A 11 12.943 2.799 -0.259 1.00 0.00 C ATOM 155 O THR A 11 11.778 3.145 -0.299 1.00 0.00 O ATOM 156 CB THR A 11 13.837 3.204 2.095 1.00 0.00 C ATOM 157 OG1 THR A 11 15.079 2.715 2.577 1.00 0.00 O ATOM 158 CG2 THR A 11 12.751 2.148 2.345 1.00 0.00 C ATOM 0 H THR A 11 13.693 5.485 1.395 1.00 0.00 H new ATOM 0 HA THR A 11 14.949 3.226 0.225 1.00 0.00 H new ATOM 0 HB THR A 11 13.552 4.116 2.619 1.00 0.00 H new ATOM 0 HG1 THR A 11 15.000 2.505 3.531 1.00 0.00 H new ATOM 0 HG21 THR A 11 12.684 1.941 3.413 1.00 0.00 H new ATOM 0 HG22 THR A 11 11.791 2.521 1.987 1.00 0.00 H new ATOM 0 HG23 THR A 11 13.005 1.231 1.813 1.00 0.00 H new ATOM 166 N ARG A 12 13.380 1.799 -0.944 1.00 0.00 N ATOM 167 CA ARG A 12 12.452 1.025 -1.820 1.00 0.00 C ATOM 168 C ARG A 12 12.574 -0.483 -1.563 1.00 0.00 C ATOM 169 O ARG A 12 13.629 -0.985 -1.228 1.00 0.00 O ATOM 170 CB ARG A 12 12.892 1.358 -3.247 1.00 0.00 C ATOM 171 CG ARG A 12 12.276 2.693 -3.672 1.00 0.00 C ATOM 172 CD ARG A 12 12.217 2.765 -5.199 1.00 0.00 C ATOM 173 NE ARG A 12 11.423 3.990 -5.495 1.00 0.00 N ATOM 174 CZ ARG A 12 11.917 4.916 -6.270 1.00 0.00 C ATOM 175 NH1 ARG A 12 12.841 5.719 -5.819 1.00 0.00 N ATOM 176 NH2 ARG A 12 11.485 5.040 -7.496 1.00 0.00 N ATOM 0 H ARG A 12 14.346 1.473 -0.943 1.00 0.00 H new ATOM 0 HA ARG A 12 11.410 1.285 -1.632 1.00 0.00 H new ATOM 0 HB2 ARG A 12 13.979 1.414 -3.300 1.00 0.00 H new ATOM 0 HB3 ARG A 12 12.580 0.567 -3.929 1.00 0.00 H new ATOM 0 HG2 ARG A 12 11.274 2.793 -3.254 1.00 0.00 H new ATOM 0 HG3 ARG A 12 12.869 3.520 -3.281 1.00 0.00 H new ATOM 0 HD2 ARG A 12 13.216 2.828 -5.630 1.00 0.00 H new ATOM 0 HD3 ARG A 12 11.744 1.877 -5.618 1.00 0.00 H new ATOM 0 HE ARG A 12 10.493 4.105 -5.092 1.00 0.00 H new ATOM 0 HH11 ARG A 12 13.177 5.623 -4.861 1.00 0.00 H new ATOM 0 HH12 ARG A 12 13.227 6.443 -6.425 1.00 0.00 H new ATOM 0 HH21 ARG A 12 10.761 4.413 -7.848 1.00 0.00 H new ATOM 0 HH22 ARG A 12 11.871 5.764 -8.102 1.00 0.00 H new ATOM 190 N ARG A 13 11.496 -1.207 -1.730 1.00 0.00 N ATOM 191 CA ARG A 13 11.534 -2.686 -1.511 1.00 0.00 C ATOM 192 C ARG A 13 10.698 -3.392 -2.580 1.00 0.00 C ATOM 193 O ARG A 13 9.510 -3.173 -2.690 1.00 0.00 O ATOM 194 CB ARG A 13 10.912 -2.906 -0.135 1.00 0.00 C ATOM 195 CG ARG A 13 11.475 -4.188 0.480 1.00 0.00 C ATOM 196 CD ARG A 13 11.746 -3.959 1.968 1.00 0.00 C ATOM 197 NE ARG A 13 12.779 -2.889 2.011 1.00 0.00 N ATOM 198 CZ ARG A 13 13.983 -3.162 2.433 1.00 0.00 C ATOM 199 NH1 ARG A 13 14.148 -3.811 3.554 1.00 0.00 N ATOM 200 NH2 ARG A 13 15.021 -2.788 1.736 1.00 0.00 N ATOM 0 H ARG A 13 10.588 -0.836 -2.010 1.00 0.00 H new ATOM 0 HA ARG A 13 12.548 -3.083 -1.569 1.00 0.00 H new ATOM 0 HB2 ARG A 13 11.125 -2.055 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.828 -2.977 -0.221 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.769 -5.008 0.349 1.00 0.00 H new ATOM 0 HG3 ARG A 13 12.395 -4.475 -0.029 1.00 0.00 H new ATOM 0 HD2 ARG A 13 10.840 -3.654 2.492 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.101 -4.870 2.449 1.00 0.00 H new ATOM 0 HE ARG A 13 12.546 -1.942 1.711 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.336 -4.104 4.098 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.089 -4.025 3.886 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.892 -2.282 0.860 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.962 -3.002 2.067 1.00 0.00 H new ATOM 214 N GLU A 14 11.297 -4.233 -3.373 1.00 0.00 N ATOM 215 CA GLU A 14 10.511 -4.933 -4.429 1.00 0.00 C ATOM 216 C GLU A 14 10.161 -6.356 -3.993 1.00 0.00 C ATOM 217 O GLU A 14 11.023 -7.146 -3.663 1.00 0.00 O ATOM 218 CB GLU A 14 11.427 -4.956 -5.654 1.00 0.00 C ATOM 219 CG GLU A 14 11.992 -3.555 -5.896 1.00 0.00 C ATOM 220 CD GLU A 14 13.435 -3.493 -5.392 1.00 0.00 C ATOM 221 OE1 GLU A 14 14.111 -4.505 -5.466 1.00 0.00 O ATOM 222 OE2 GLU A 14 13.838 -2.433 -4.940 1.00 0.00 O ATOM 0 H GLU A 14 12.289 -4.466 -3.338 1.00 0.00 H new ATOM 0 HA GLU A 14 9.565 -4.431 -4.632 1.00 0.00 H new ATOM 0 HB2 GLU A 14 12.240 -5.666 -5.500 1.00 0.00 H new ATOM 0 HB3 GLU A 14 10.872 -5.292 -6.530 1.00 0.00 H new ATOM 0 HG2 GLU A 14 11.956 -3.315 -6.959 1.00 0.00 H new ATOM 0 HG3 GLU A 14 11.383 -2.812 -5.381 1.00 0.00 H new ATOM 229 N LEU A 15 8.897 -6.692 -3.998 1.00 0.00 N ATOM 230 CA LEU A 15 8.494 -8.068 -3.593 1.00 0.00 C ATOM 231 C LEU A 15 7.983 -8.848 -4.793 1.00 0.00 C ATOM 232 O LEU A 15 7.416 -8.297 -5.715 1.00 0.00 O ATOM 233 CB LEU A 15 7.334 -7.900 -2.608 1.00 0.00 C ATOM 234 CG LEU A 15 7.839 -7.782 -1.167 1.00 0.00 C ATOM 235 CD1 LEU A 15 6.657 -7.757 -0.209 1.00 0.00 C ATOM 236 CD2 LEU A 15 8.647 -8.977 -0.788 1.00 0.00 C ATOM 0 H LEU A 15 8.130 -6.074 -4.264 1.00 0.00 H new ATOM 0 HA LEU A 15 9.341 -8.603 -3.163 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.759 -7.011 -2.868 1.00 0.00 H new ATOM 0 HB3 LEU A 15 6.658 -8.751 -2.690 1.00 0.00 H new ATOM 0 HG LEU A 15 8.436 -6.872 -1.107 1.00 0.00 H new ATOM 0 HD11 LEU A 15 7.020 -7.673 0.815 1.00 0.00 H new ATOM 0 HD12 LEU A 15 6.020 -6.903 -0.439 1.00 0.00 H new ATOM 0 HD13 LEU A 15 6.083 -8.677 -0.316 1.00 0.00 H new ATOM 0 HD21 LEU A 15 8.995 -8.870 0.240 1.00 0.00 H new ATOM 0 HD22 LEU A 15 8.032 -9.873 -0.872 1.00 0.00 H new ATOM 0 HD23 LEU A 15 9.505 -9.062 -1.454 1.00 0.00 H new ATOM 248 N ASP A 16 8.127 -10.136 -4.757 1.00 0.00 N ATOM 249 CA ASP A 16 7.593 -10.962 -5.860 1.00 0.00 C ATOM 250 C ASP A 16 6.292 -11.582 -5.360 1.00 0.00 C ATOM 251 O ASP A 16 6.284 -12.634 -4.753 1.00 0.00 O ATOM 252 CB ASP A 16 8.653 -12.033 -6.130 1.00 0.00 C ATOM 253 CG ASP A 16 8.644 -12.397 -7.615 1.00 0.00 C ATOM 254 OD1 ASP A 16 8.454 -11.504 -8.424 1.00 0.00 O ATOM 255 OD2 ASP A 16 8.828 -13.565 -7.919 1.00 0.00 O ATOM 0 H ASP A 16 8.592 -10.652 -4.010 1.00 0.00 H new ATOM 0 HA ASP A 16 7.388 -10.405 -6.774 1.00 0.00 H new ATOM 0 HB2 ASP A 16 9.638 -11.666 -5.841 1.00 0.00 H new ATOM 0 HB3 ASP A 16 8.453 -12.918 -5.526 1.00 0.00 H new ATOM 260 N VAL A 17 5.199 -10.912 -5.572 1.00 0.00 N ATOM 261 CA VAL A 17 3.899 -11.426 -5.069 1.00 0.00 C ATOM 262 C VAL A 17 3.143 -12.138 -6.187 1.00 0.00 C ATOM 263 O VAL A 17 3.576 -12.161 -7.320 1.00 0.00 O ATOM 264 CB VAL A 17 3.154 -10.164 -4.615 1.00 0.00 C ATOM 265 CG1 VAL A 17 1.689 -10.495 -4.330 1.00 0.00 C ATOM 266 CG2 VAL A 17 3.807 -9.621 -3.343 1.00 0.00 C ATOM 0 H VAL A 17 5.149 -10.026 -6.075 1.00 0.00 H new ATOM 0 HA VAL A 17 4.009 -12.154 -4.265 1.00 0.00 H new ATOM 0 HB VAL A 17 3.204 -9.415 -5.406 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.168 -9.593 -4.008 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.221 -10.881 -5.235 1.00 0.00 H new ATOM 0 HG13 VAL A 17 1.632 -11.247 -3.543 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.280 -8.724 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 17 3.758 -10.376 -2.558 1.00 0.00 H new ATOM 0 HG23 VAL A 17 4.850 -9.376 -3.545 1.00 0.00 H new ATOM 276 N ALA A 18 2.030 -12.739 -5.874 1.00 0.00 N ATOM 277 CA ALA A 18 1.258 -13.462 -6.925 1.00 0.00 C ATOM 278 C ALA A 18 -0.187 -12.953 -6.976 1.00 0.00 C ATOM 279 O ALA A 18 -0.434 -11.763 -6.976 1.00 0.00 O ATOM 280 CB ALA A 18 1.300 -14.932 -6.511 1.00 0.00 C ATOM 0 H ALA A 18 1.621 -12.762 -4.940 1.00 0.00 H new ATOM 0 HA ALA A 18 1.677 -13.309 -7.919 1.00 0.00 H new ATOM 0 HB1 ALA A 18 0.751 -15.531 -7.238 1.00 0.00 H new ATOM 0 HB2 ALA A 18 2.336 -15.269 -6.471 1.00 0.00 H new ATOM 0 HB3 ALA A 18 0.843 -15.046 -5.528 1.00 0.00 H new ATOM 286 N ASP A 19 -1.141 -13.842 -7.029 1.00 0.00 N ATOM 287 CA ASP A 19 -2.560 -13.412 -7.091 1.00 0.00 C ATOM 288 C ASP A 19 -3.273 -13.742 -5.776 1.00 0.00 C ATOM 289 O ASP A 19 -3.302 -14.875 -5.339 1.00 0.00 O ATOM 290 CB ASP A 19 -3.145 -14.213 -8.259 1.00 0.00 C ATOM 291 CG ASP A 19 -3.549 -15.615 -7.791 1.00 0.00 C ATOM 292 OD1 ASP A 19 -2.662 -16.413 -7.541 1.00 0.00 O ATOM 293 OD2 ASP A 19 -4.739 -15.865 -7.690 1.00 0.00 O ATOM 0 H ASP A 19 -0.994 -14.851 -7.032 1.00 0.00 H new ATOM 0 HA ASP A 19 -2.674 -12.338 -7.235 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -4.012 -13.694 -8.667 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -2.411 -14.287 -9.062 1.00 0.00 H new ATOM 298 N GLY A 20 -3.854 -12.759 -5.151 1.00 0.00 N ATOM 299 CA GLY A 20 -4.572 -13.012 -3.870 1.00 0.00 C ATOM 300 C GLY A 20 -3.811 -12.377 -2.703 1.00 0.00 C ATOM 301 O GLY A 20 -4.317 -12.292 -1.601 1.00 0.00 O ATOM 0 H GLY A 20 -3.864 -11.790 -5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -5.580 -12.601 -3.923 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -4.673 -14.085 -3.707 1.00 0.00 H new ATOM 305 N VAL A 21 -2.605 -11.926 -2.925 1.00 0.00 N ATOM 306 CA VAL A 21 -1.842 -11.298 -1.808 1.00 0.00 C ATOM 307 C VAL A 21 -2.035 -9.783 -1.815 1.00 0.00 C ATOM 308 O VAL A 21 -2.552 -9.207 -2.751 1.00 0.00 O ATOM 309 CB VAL A 21 -0.372 -11.616 -2.067 1.00 0.00 C ATOM 310 CG1 VAL A 21 0.490 -10.993 -0.968 1.00 0.00 C ATOM 311 CG2 VAL A 21 -0.149 -13.127 -2.080 1.00 0.00 C ATOM 0 H VAL A 21 -2.120 -11.964 -3.821 1.00 0.00 H new ATOM 0 HA VAL A 21 -2.182 -11.677 -0.844 1.00 0.00 H new ATOM 0 HB VAL A 21 -0.092 -11.204 -3.037 1.00 0.00 H new ATOM 0 HG11 VAL A 21 1.539 -11.221 -1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 21 0.349 -9.912 -0.964 1.00 0.00 H new ATOM 0 HG13 VAL A 21 0.197 -11.401 -0.001 1.00 0.00 H new ATOM 0 HG21 VAL A 21 0.904 -13.338 -2.266 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -0.438 -13.546 -1.116 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -0.754 -13.577 -2.867 1.00 0.00 H new ATOM 321 N SER A 22 -1.593 -9.146 -0.776 1.00 0.00 N ATOM 322 CA SER A 22 -1.703 -7.662 -0.685 1.00 0.00 C ATOM 323 C SER A 22 -0.304 -7.071 -0.520 1.00 0.00 C ATOM 324 O SER A 22 0.648 -7.785 -0.275 1.00 0.00 O ATOM 325 CB SER A 22 -2.550 -7.392 0.563 1.00 0.00 C ATOM 326 OG SER A 22 -2.898 -8.626 1.180 1.00 0.00 O ATOM 0 H SER A 22 -1.153 -9.592 0.029 1.00 0.00 H new ATOM 0 HA SER A 22 -2.153 -7.217 -1.572 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.995 -6.767 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 22 -3.451 -6.843 0.291 1.00 0.00 H new ATOM 0 HG SER A 22 -3.438 -8.451 1.979 1.00 0.00 H new ATOM 332 N LEU A 23 -0.157 -5.782 -0.634 1.00 0.00 N ATOM 333 CA LEU A 23 1.200 -5.196 -0.456 1.00 0.00 C ATOM 334 C LEU A 23 1.692 -5.507 0.952 1.00 0.00 C ATOM 335 O LEU A 23 2.860 -5.749 1.169 1.00 0.00 O ATOM 336 CB LEU A 23 1.042 -3.682 -0.665 1.00 0.00 C ATOM 337 CG LEU A 23 0.414 -3.411 -2.039 1.00 0.00 C ATOM 338 CD1 LEU A 23 0.695 -1.967 -2.452 1.00 0.00 C ATOM 339 CD2 LEU A 23 1.018 -4.355 -3.086 1.00 0.00 C ATOM 0 H LEU A 23 -0.903 -5.118 -0.839 1.00 0.00 H new ATOM 0 HA LEU A 23 1.927 -5.603 -1.159 1.00 0.00 H new ATOM 0 HB2 LEU A 23 0.416 -3.260 0.121 1.00 0.00 H new ATOM 0 HB3 LEU A 23 2.013 -3.192 -0.596 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.661 -3.578 -1.976 1.00 0.00 H new ATOM 0 HD11 LEU A 23 0.249 -1.774 -3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.265 -1.288 -1.716 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.772 -1.807 -2.507 1.00 0.00 H new ATOM 0 HD21 LEU A 23 0.567 -4.156 -4.058 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.094 -4.192 -3.145 1.00 0.00 H new ATOM 0 HD23 LEU A 23 0.823 -5.388 -2.800 1.00 0.00 H new ATOM 351 N MET A 24 0.806 -5.524 1.911 1.00 0.00 N ATOM 352 CA MET A 24 1.240 -5.841 3.295 1.00 0.00 C ATOM 353 C MET A 24 1.705 -7.278 3.373 1.00 0.00 C ATOM 354 O MET A 24 2.837 -7.557 3.670 1.00 0.00 O ATOM 355 CB MET A 24 0.018 -5.647 4.190 1.00 0.00 C ATOM 356 CG MET A 24 0.440 -4.897 5.455 1.00 0.00 C ATOM 357 SD MET A 24 -0.810 -5.124 6.739 1.00 0.00 S ATOM 358 CE MET A 24 -0.423 -6.849 7.113 1.00 0.00 C ATOM 0 H MET A 24 -0.189 -5.334 1.795 1.00 0.00 H new ATOM 0 HA MET A 24 2.065 -5.200 3.605 1.00 0.00 H new ATOM 0 HB2 MET A 24 -0.752 -5.087 3.659 1.00 0.00 H new ATOM 0 HB3 MET A 24 -0.414 -6.613 4.452 1.00 0.00 H new ATOM 0 HG2 MET A 24 1.405 -5.265 5.803 1.00 0.00 H new ATOM 0 HG3 MET A 24 0.563 -3.836 5.237 1.00 0.00 H new ATOM 0 HE1 MET A 24 -1.348 -7.418 7.205 1.00 0.00 H new ATOM 0 HE2 MET A 24 0.183 -7.268 6.310 1.00 0.00 H new ATOM 0 HE3 MET A 24 0.130 -6.903 8.051 1.00 0.00 H new ATOM 368 N GLN A 25 0.816 -8.175 3.113 1.00 0.00 N ATOM 369 CA GLN A 25 1.122 -9.628 3.184 1.00 0.00 C ATOM 370 C GLN A 25 2.536 -9.977 2.667 1.00 0.00 C ATOM 371 O GLN A 25 3.418 -10.249 3.455 1.00 0.00 O ATOM 372 CB GLN A 25 0.044 -10.215 2.289 1.00 0.00 C ATOM 373 CG GLN A 25 0.162 -11.735 2.217 1.00 0.00 C ATOM 374 CD GLN A 25 -1.174 -12.325 1.749 1.00 0.00 C ATOM 375 OE1 GLN A 25 -1.352 -13.526 1.763 1.00 0.00 O ATOM 376 NE2 GLN A 25 -2.134 -11.531 1.329 1.00 0.00 N ATOM 0 H GLN A 25 -0.145 -7.961 2.845 1.00 0.00 H new ATOM 0 HA GLN A 25 1.123 -10.012 4.204 1.00 0.00 H new ATOM 0 HB2 GLN A 25 -0.940 -9.941 2.670 1.00 0.00 H new ATOM 0 HB3 GLN A 25 0.127 -9.792 1.288 1.00 0.00 H new ATOM 0 HG2 GLN A 25 0.959 -12.017 1.529 1.00 0.00 H new ATOM 0 HG3 GLN A 25 0.428 -12.137 3.194 1.00 0.00 H new ATOM 0 HE21 GLN A 25 -1.991 -10.521 1.315 1.00 0.00 H new ATOM 0 HE22 GLN A 25 -3.022 -11.925 1.017 1.00 0.00 H new ATOM 385 N ALA A 26 2.769 -10.007 1.373 1.00 0.00 N ATOM 386 CA ALA A 26 4.147 -10.376 0.892 1.00 0.00 C ATOM 387 C ALA A 26 5.196 -9.671 1.744 1.00 0.00 C ATOM 388 O ALA A 26 6.066 -10.284 2.329 1.00 0.00 O ATOM 389 CB ALA A 26 4.265 -9.881 -0.555 1.00 0.00 C ATOM 0 H ALA A 26 2.086 -9.798 0.645 1.00 0.00 H new ATOM 0 HA ALA A 26 4.304 -11.453 0.960 1.00 0.00 H new ATOM 0 HB1 ALA A 26 5.252 -10.128 -0.945 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.502 -10.362 -1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 26 4.124 -8.800 -0.583 1.00 0.00 H new ATOM 395 N ALA A 27 5.111 -8.377 1.802 1.00 0.00 N ATOM 396 CA ALA A 27 6.086 -7.584 2.595 1.00 0.00 C ATOM 397 C ALA A 27 6.076 -8.069 4.044 1.00 0.00 C ATOM 398 O ALA A 27 7.088 -8.433 4.608 1.00 0.00 O ATOM 399 CB ALA A 27 5.537 -6.168 2.484 1.00 0.00 C ATOM 0 H ALA A 27 4.397 -7.825 1.327 1.00 0.00 H new ATOM 0 HA ALA A 27 7.117 -7.663 2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 6.181 -5.484 3.037 1.00 0.00 H new ATOM 0 HB2 ALA A 27 5.506 -5.871 1.436 1.00 0.00 H new ATOM 0 HB3 ALA A 27 4.530 -6.134 2.900 1.00 0.00 H new ATOM 405 N VAL A 28 4.914 -8.093 4.621 1.00 0.00 N ATOM 406 CA VAL A 28 4.733 -8.569 6.019 1.00 0.00 C ATOM 407 C VAL A 28 5.699 -9.729 6.313 1.00 0.00 C ATOM 408 O VAL A 28 6.572 -9.628 7.153 1.00 0.00 O ATOM 409 CB VAL A 28 3.260 -9.011 6.001 1.00 0.00 C ATOM 410 CG1 VAL A 28 3.078 -10.444 6.523 1.00 0.00 C ATOM 411 CG2 VAL A 28 2.414 -8.073 6.848 1.00 0.00 C ATOM 0 H VAL A 28 4.051 -7.792 4.168 1.00 0.00 H new ATOM 0 HA VAL A 28 4.945 -7.833 6.794 1.00 0.00 H new ATOM 0 HB VAL A 28 2.936 -8.978 4.961 1.00 0.00 H new ATOM 0 HG11 VAL A 28 2.022 -10.711 6.491 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.646 -11.134 5.898 1.00 0.00 H new ATOM 0 HG13 VAL A 28 3.437 -10.505 7.550 1.00 0.00 H new ATOM 0 HG21 VAL A 28 1.374 -8.400 6.825 1.00 0.00 H new ATOM 0 HG22 VAL A 28 2.775 -8.086 7.876 1.00 0.00 H new ATOM 0 HG23 VAL A 28 2.485 -7.060 6.451 1.00 0.00 H new ATOM 421 N SER A 29 5.549 -10.822 5.618 1.00 0.00 N ATOM 422 CA SER A 29 6.454 -11.987 5.836 1.00 0.00 C ATOM 423 C SER A 29 7.881 -11.551 5.590 1.00 0.00 C ATOM 424 O SER A 29 8.776 -11.795 6.376 1.00 0.00 O ATOM 425 CB SER A 29 6.020 -12.983 4.788 1.00 0.00 C ATOM 426 OG SER A 29 7.118 -13.325 3.950 1.00 0.00 O ATOM 0 H SER A 29 4.834 -10.960 4.904 1.00 0.00 H new ATOM 0 HA SER A 29 6.405 -12.399 6.844 1.00 0.00 H new ATOM 0 HB2 SER A 29 5.627 -13.879 5.268 1.00 0.00 H new ATOM 0 HB3 SER A 29 5.213 -12.562 4.188 1.00 0.00 H new ATOM 0 HG SER A 29 6.825 -13.973 3.275 1.00 0.00 H new ATOM 432 N ASN A 30 8.084 -10.858 4.508 1.00 0.00 N ATOM 433 CA ASN A 30 9.434 -10.344 4.202 1.00 0.00 C ATOM 434 C ASN A 30 9.865 -9.421 5.344 1.00 0.00 C ATOM 435 O ASN A 30 10.997 -8.986 5.414 1.00 0.00 O ATOM 436 CB ASN A 30 9.256 -9.565 2.895 1.00 0.00 C ATOM 437 CG ASN A 30 9.678 -10.441 1.715 1.00 0.00 C ATOM 438 OD1 ASN A 30 10.853 -10.631 1.472 1.00 0.00 O ATOM 439 ND2 ASN A 30 8.759 -10.988 0.967 1.00 0.00 N ATOM 0 H ASN A 30 7.366 -10.627 3.822 1.00 0.00 H new ATOM 0 HA ASN A 30 10.194 -11.119 4.100 1.00 0.00 H new ATOM 0 HB2 ASN A 30 8.216 -9.259 2.781 1.00 0.00 H new ATOM 0 HB3 ASN A 30 9.855 -8.655 2.918 1.00 0.00 H new ATOM 0 HD21 ASN A 30 9.027 -11.576 0.178 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.773 -10.828 1.172 1.00 0.00 H new ATOM 446 N GLY A 31 8.957 -9.116 6.246 1.00 0.00 N ATOM 447 CA GLY A 31 9.315 -8.217 7.386 1.00 0.00 C ATOM 448 C GLY A 31 9.091 -6.772 6.970 1.00 0.00 C ATOM 449 O GLY A 31 9.037 -5.881 7.794 1.00 0.00 O ATOM 0 H GLY A 31 7.993 -9.449 6.240 1.00 0.00 H new ATOM 0 HA2 GLY A 31 8.707 -8.456 8.258 1.00 0.00 H new ATOM 0 HA3 GLY A 31 10.356 -8.369 7.672 1.00 0.00 H new ATOM 453 N ILE A 32 8.938 -6.538 5.699 1.00 0.00 N ATOM 454 CA ILE A 32 8.686 -5.156 5.223 1.00 0.00 C ATOM 455 C ILE A 32 7.672 -4.492 6.161 1.00 0.00 C ATOM 456 O ILE A 32 7.794 -3.333 6.505 1.00 0.00 O ATOM 457 CB ILE A 32 8.132 -5.359 3.818 1.00 0.00 C ATOM 458 CG1 ILE A 32 9.259 -5.840 2.901 1.00 0.00 C ATOM 459 CG2 ILE A 32 7.553 -4.051 3.269 1.00 0.00 C ATOM 460 CD1 ILE A 32 8.816 -5.727 1.441 1.00 0.00 C ATOM 0 H ILE A 32 8.977 -7.248 4.968 1.00 0.00 H new ATOM 0 HA ILE A 32 9.563 -4.508 5.212 1.00 0.00 H new ATOM 0 HB ILE A 32 7.335 -6.102 3.857 1.00 0.00 H new ATOM 0 HG12 ILE A 32 10.156 -5.243 3.067 1.00 0.00 H new ATOM 0 HG13 ILE A 32 9.516 -6.873 3.135 1.00 0.00 H new ATOM 0 HG21 ILE A 32 7.163 -4.219 2.265 1.00 0.00 H new ATOM 0 HG22 ILE A 32 6.747 -3.709 3.919 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.336 -3.294 3.232 1.00 0.00 H new ATOM 0 HD11 ILE A 32 9.620 -6.070 0.789 1.00 0.00 H new ATOM 0 HD12 ILE A 32 7.931 -6.343 1.281 1.00 0.00 H new ATOM 0 HD13 ILE A 32 8.581 -4.688 1.211 1.00 0.00 H new ATOM 472 N TYR A 33 6.691 -5.237 6.613 1.00 0.00 N ATOM 473 CA TYR A 33 5.700 -4.658 7.570 1.00 0.00 C ATOM 474 C TYR A 33 5.823 -5.307 8.943 1.00 0.00 C ATOM 475 O TYR A 33 4.996 -6.111 9.323 1.00 0.00 O ATOM 476 CB TYR A 33 4.315 -4.980 7.026 1.00 0.00 C ATOM 477 CG TYR A 33 4.044 -4.160 5.808 1.00 0.00 C ATOM 478 CD1 TYR A 33 3.698 -2.806 5.916 1.00 0.00 C ATOM 479 CD2 TYR A 33 4.128 -4.767 4.569 1.00 0.00 C ATOM 480 CE1 TYR A 33 3.434 -2.064 4.755 1.00 0.00 C ATOM 481 CE2 TYR A 33 3.871 -4.041 3.417 1.00 0.00 C ATOM 482 CZ TYR A 33 3.518 -2.685 3.499 1.00 0.00 C ATOM 483 OH TYR A 33 3.260 -1.964 2.350 1.00 0.00 O ATOM 0 H TYR A 33 6.536 -6.213 6.362 1.00 0.00 H new ATOM 0 HA TYR A 33 5.873 -3.587 7.671 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.248 -6.041 6.783 1.00 0.00 H new ATOM 0 HB3 TYR A 33 3.560 -4.778 7.786 1.00 0.00 H new ATOM 0 HD1 TYR A 33 3.635 -2.337 6.887 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.395 -5.811 4.498 1.00 0.00 H new ATOM 0 HE1 TYR A 33 3.167 -1.020 4.827 1.00 0.00 H new ATOM 0 HE2 TYR A 33 3.943 -4.521 2.452 1.00 0.00 H new ATOM 0 HH TYR A 33 3.364 -2.546 1.568 1.00 0.00 H new ATOM 559 N CYS A 39 -3.577 -5.434 10.709 1.00 0.00 N ATOM 560 CA CYS A 39 -4.454 -5.850 9.566 1.00 0.00 C ATOM 561 C CYS A 39 -4.308 -7.349 9.305 1.00 0.00 C ATOM 562 O CYS A 39 -5.283 -8.067 9.219 1.00 0.00 O ATOM 563 CB CYS A 39 -4.007 -5.046 8.329 1.00 0.00 C ATOM 564 SG CYS A 39 -2.208 -4.825 8.315 1.00 0.00 S ATOM 0 HA CYS A 39 -5.502 -5.654 9.794 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.321 -5.563 7.422 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -4.497 -4.072 8.327 1.00 0.00 H new ATOM 569 N GLY A 40 -3.101 -7.828 9.172 1.00 0.00 N ATOM 570 CA GLY A 40 -2.909 -9.281 8.909 1.00 0.00 C ATOM 571 C GLY A 40 -3.911 -9.722 7.843 1.00 0.00 C ATOM 572 O GLY A 40 -4.533 -10.760 7.948 1.00 0.00 O ATOM 0 H GLY A 40 -2.244 -7.278 9.234 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.890 -9.473 8.572 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.055 -9.853 9.825 1.00 0.00 H new ATOM 576 N GLY A 41 -4.079 -8.928 6.821 1.00 0.00 N ATOM 577 CA GLY A 41 -5.049 -9.283 5.749 1.00 0.00 C ATOM 578 C GLY A 41 -6.465 -8.920 6.202 1.00 0.00 C ATOM 579 O GLY A 41 -7.429 -9.555 5.822 1.00 0.00 O ATOM 0 H GLY A 41 -3.585 -8.047 6.683 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -4.802 -8.752 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.988 -10.348 5.527 1.00 0.00 H new ATOM 583 N SER A 42 -6.602 -7.900 7.010 1.00 0.00 N ATOM 584 CA SER A 42 -7.963 -7.501 7.477 1.00 0.00 C ATOM 585 C SER A 42 -8.265 -6.058 7.068 1.00 0.00 C ATOM 586 O SER A 42 -9.396 -5.709 6.790 1.00 0.00 O ATOM 587 CB SER A 42 -7.930 -7.639 8.997 1.00 0.00 C ATOM 588 OG SER A 42 -7.381 -6.458 9.565 1.00 0.00 O ATOM 0 H SER A 42 -5.835 -7.329 7.365 1.00 0.00 H new ATOM 0 HA SER A 42 -8.743 -8.122 7.036 1.00 0.00 H new ATOM 0 HB2 SER A 42 -8.937 -7.806 9.380 1.00 0.00 H new ATOM 0 HB3 SER A 42 -7.332 -8.505 9.282 1.00 0.00 H new ATOM 0 HG SER A 42 -7.152 -6.622 10.504 1.00 0.00 H new ATOM 594 N ALA A 43 -7.264 -5.218 7.015 1.00 0.00 N ATOM 595 CA ALA A 43 -7.493 -3.799 6.604 1.00 0.00 C ATOM 596 C ALA A 43 -8.213 -3.005 7.697 1.00 0.00 C ATOM 597 O ALA A 43 -9.299 -2.499 7.495 1.00 0.00 O ATOM 598 CB ALA A 43 -8.356 -3.870 5.352 1.00 0.00 C ATOM 0 H ALA A 43 -6.297 -5.453 7.239 1.00 0.00 H new ATOM 0 HA ALA A 43 -6.547 -3.288 6.426 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -8.563 -2.861 4.995 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -7.829 -4.428 4.578 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -9.295 -4.372 5.585 1.00 0.00 H new ATOM 604 N SER A 44 -7.621 -2.890 8.846 1.00 0.00 N ATOM 605 CA SER A 44 -8.265 -2.105 9.945 1.00 0.00 C ATOM 606 C SER A 44 -7.260 -1.131 10.590 1.00 0.00 C ATOM 607 O SER A 44 -7.527 -0.564 11.631 1.00 0.00 O ATOM 608 CB SER A 44 -8.718 -3.153 10.960 1.00 0.00 C ATOM 609 OG SER A 44 -9.602 -2.549 11.895 1.00 0.00 O ATOM 0 H SER A 44 -6.718 -3.303 9.079 1.00 0.00 H new ATOM 0 HA SER A 44 -9.092 -1.496 9.579 1.00 0.00 H new ATOM 0 HB2 SER A 44 -9.217 -3.978 10.451 1.00 0.00 H new ATOM 0 HB3 SER A 44 -7.855 -3.573 11.477 1.00 0.00 H new ATOM 0 HG SER A 44 -9.267 -1.660 12.134 1.00 0.00 H new ATOM 615 N CYS A 45 -6.092 -0.967 10.019 1.00 0.00 N ATOM 616 CA CYS A 45 -5.066 -0.066 10.662 1.00 0.00 C ATOM 617 C CYS A 45 -4.767 1.210 9.870 1.00 0.00 C ATOM 618 O CYS A 45 -5.028 1.322 8.707 1.00 0.00 O ATOM 619 CB CYS A 45 -3.769 -0.883 10.837 1.00 0.00 C ATOM 620 SG CYS A 45 -3.976 -2.576 10.236 1.00 0.00 S ATOM 0 H CYS A 45 -5.800 -1.408 9.147 1.00 0.00 H new ATOM 0 HA CYS A 45 -5.475 0.271 11.615 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -2.956 -0.399 10.296 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -3.486 -0.900 11.890 1.00 0.00 H new ATOM 0 HG CYS A 45 -3.508 -3.410 11.117 1.00 0.00 H new ATOM 625 N ALA A 46 -4.185 2.180 10.521 1.00 0.00 N ATOM 626 CA ALA A 46 -3.844 3.452 9.823 1.00 0.00 C ATOM 627 C ALA A 46 -2.329 3.585 9.664 1.00 0.00 C ATOM 628 O ALA A 46 -1.846 4.308 8.814 1.00 0.00 O ATOM 629 CB ALA A 46 -4.379 4.553 10.734 1.00 0.00 C ATOM 0 H ALA A 46 -3.930 2.146 11.508 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.272 3.499 8.822 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -4.168 5.526 10.291 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -5.456 4.435 10.854 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.896 4.486 11.709 1.00 0.00 H new ATOM 635 N THR A 47 -1.575 2.904 10.480 1.00 0.00 N ATOM 636 CA THR A 47 -0.091 3.006 10.377 1.00 0.00 C ATOM 637 C THR A 47 0.408 2.333 9.098 1.00 0.00 C ATOM 638 O THR A 47 1.524 2.550 8.669 1.00 0.00 O ATOM 639 CB THR A 47 0.451 2.291 11.613 1.00 0.00 C ATOM 640 OG1 THR A 47 1.851 2.095 11.469 1.00 0.00 O ATOM 641 CG2 THR A 47 -0.241 0.938 11.782 1.00 0.00 C ATOM 0 H THR A 47 -1.919 2.283 11.212 1.00 0.00 H new ATOM 0 HA THR A 47 0.242 4.043 10.333 1.00 0.00 H new ATOM 0 HB THR A 47 0.255 2.902 12.494 1.00 0.00 H new ATOM 0 HG1 THR A 47 2.201 1.638 12.262 1.00 0.00 H new ATOM 0 HG21 THR A 47 0.152 0.436 12.666 1.00 0.00 H new ATOM 0 HG22 THR A 47 -1.314 1.090 11.898 1.00 0.00 H new ATOM 0 HG23 THR A 47 -0.055 0.322 10.902 1.00 0.00 H new ATOM 649 N CYS A 48 -0.413 1.541 8.466 1.00 0.00 N ATOM 650 CA CYS A 48 0.028 0.889 7.198 1.00 0.00 C ATOM 651 C CYS A 48 -0.437 1.744 6.025 1.00 0.00 C ATOM 652 O CYS A 48 -0.407 1.328 4.888 1.00 0.00 O ATOM 653 CB CYS A 48 -0.597 -0.518 7.132 1.00 0.00 C ATOM 654 SG CYS A 48 -1.182 -1.077 8.740 1.00 0.00 S ATOM 0 H CYS A 48 -1.361 1.318 8.768 1.00 0.00 H new ATOM 0 HA CYS A 48 1.113 0.798 7.158 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -1.428 -0.512 6.427 1.00 0.00 H new ATOM 0 HB3 CYS A 48 0.140 -1.224 6.750 1.00 0.00 H new ATOM 0 HG CYS A 48 -2.394 -1.533 8.626 1.00 0.00 H new ATOM 659 N HIS A 49 -0.846 2.958 6.287 1.00 0.00 N ATOM 660 CA HIS A 49 -1.278 3.837 5.166 1.00 0.00 C ATOM 661 C HIS A 49 -0.223 3.743 4.065 1.00 0.00 C ATOM 662 O HIS A 49 0.959 3.725 4.341 1.00 0.00 O ATOM 663 CB HIS A 49 -1.325 5.249 5.760 1.00 0.00 C ATOM 664 CG HIS A 49 -2.040 6.189 4.821 1.00 0.00 C ATOM 665 ND1 HIS A 49 -2.744 7.291 5.280 1.00 0.00 N ATOM 666 CD2 HIS A 49 -2.156 6.223 3.452 1.00 0.00 C ATOM 667 CE1 HIS A 49 -3.241 7.934 4.208 1.00 0.00 C ATOM 668 NE2 HIS A 49 -2.912 7.324 3.070 1.00 0.00 N ATOM 0 H HIS A 49 -0.899 3.373 7.217 1.00 0.00 H new ATOM 0 HA HIS A 49 -2.243 3.563 4.739 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -1.835 5.229 6.723 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -0.312 5.608 5.943 1.00 0.00 H new ATOM 0 HD1 HIS A 49 -2.864 7.565 6.255 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.724 5.501 2.774 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.834 8.835 4.263 1.00 0.00 H new ATOM 676 N VAL A 50 -0.620 3.673 2.827 1.00 0.00 N ATOM 677 CA VAL A 50 0.384 3.575 1.744 1.00 0.00 C ATOM 678 C VAL A 50 -0.096 4.329 0.528 1.00 0.00 C ATOM 679 O VAL A 50 -1.275 4.540 0.329 1.00 0.00 O ATOM 680 CB VAL A 50 0.503 2.099 1.401 1.00 0.00 C ATOM 681 CG1 VAL A 50 1.183 1.364 2.545 1.00 0.00 C ATOM 682 CG2 VAL A 50 -0.891 1.530 1.164 1.00 0.00 C ATOM 0 H VAL A 50 -1.594 3.680 2.523 1.00 0.00 H new ATOM 0 HA VAL A 50 1.340 3.997 2.056 1.00 0.00 H new ATOM 0 HB VAL A 50 1.101 1.974 0.499 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.268 0.306 2.298 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.178 1.780 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.592 1.478 3.453 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -0.815 0.471 0.917 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -1.491 1.650 2.066 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -1.365 2.061 0.339 1.00 0.00 H new ATOM 692 N TYR A 51 0.817 4.713 -0.287 1.00 0.00 N ATOM 693 CA TYR A 51 0.460 5.452 -1.520 1.00 0.00 C ATOM 694 C TYR A 51 0.936 4.659 -2.743 1.00 0.00 C ATOM 695 O TYR A 51 2.099 4.341 -2.881 1.00 0.00 O ATOM 696 CB TYR A 51 1.201 6.781 -1.379 1.00 0.00 C ATOM 697 CG TYR A 51 0.423 7.743 -0.485 1.00 0.00 C ATOM 698 CD1 TYR A 51 -0.882 7.433 -0.050 1.00 0.00 C ATOM 699 CD2 TYR A 51 0.992 8.984 -0.138 1.00 0.00 C ATOM 700 CE1 TYR A 51 -1.601 8.351 0.729 1.00 0.00 C ATOM 701 CE2 TYR A 51 0.259 9.903 0.628 1.00 0.00 C ATOM 702 CZ TYR A 51 -1.033 9.586 1.061 1.00 0.00 C ATOM 703 OH TYR A 51 -1.750 10.494 1.813 1.00 0.00 O ATOM 0 H TYR A 51 1.815 4.548 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 51 -0.611 5.603 -1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 51 2.192 6.607 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.346 7.228 -2.363 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.329 6.487 -0.317 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.993 9.228 -0.462 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -2.595 8.104 1.073 1.00 0.00 H new ATOM 0 HE2 TYR A 51 0.693 10.858 0.884 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.283 11.355 1.818 1.00 0.00 H new ATOM 713 N VAL A 52 0.036 4.318 -3.621 1.00 0.00 N ATOM 714 CA VAL A 52 0.434 3.522 -4.829 1.00 0.00 C ATOM 715 C VAL A 52 0.593 4.449 -6.055 1.00 0.00 C ATOM 716 O VAL A 52 -0.071 5.464 -6.144 1.00 0.00 O ATOM 717 CB VAL A 52 -0.723 2.540 -5.065 1.00 0.00 C ATOM 718 CG1 VAL A 52 -0.370 1.569 -6.209 1.00 0.00 C ATOM 719 CG2 VAL A 52 -0.975 1.746 -3.783 1.00 0.00 C ATOM 0 H VAL A 52 -0.955 4.552 -3.561 1.00 0.00 H new ATOM 0 HA VAL A 52 1.386 3.012 -4.681 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.618 3.098 -5.339 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -1.197 0.877 -6.368 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -0.189 2.134 -7.123 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.527 1.008 -5.946 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -1.796 1.047 -3.944 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.075 1.194 -3.514 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.235 2.431 -2.976 1.00 0.00 H new ATOM 729 N ASN A 53 1.430 4.117 -7.022 1.00 0.00 N ATOM 730 CA ASN A 53 1.545 5.006 -8.221 1.00 0.00 C ATOM 731 C ASN A 53 0.309 4.827 -9.108 1.00 0.00 C ATOM 732 O ASN A 53 -0.042 3.728 -9.487 1.00 0.00 O ATOM 733 CB ASN A 53 2.825 4.591 -8.972 1.00 0.00 C ATOM 734 CG ASN A 53 2.836 3.094 -9.294 1.00 0.00 C ATOM 735 OD1 ASN A 53 3.761 2.614 -9.920 1.00 0.00 O ATOM 736 ND2 ASN A 53 1.855 2.328 -8.930 1.00 0.00 N ATOM 0 H ASN A 53 2.023 3.287 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 53 1.602 6.057 -7.936 1.00 0.00 H new ATOM 0 HB2 ASN A 53 2.905 5.162 -9.897 1.00 0.00 H new ATOM 0 HB3 ASN A 53 3.698 4.839 -8.368 1.00 0.00 H new ATOM 0 HD21 ASN A 53 1.866 1.337 -9.169 1.00 0.00 H new ATOM 0 HD22 ASN A 53 1.072 2.717 -8.404 1.00 0.00 H new ATOM 743 N GLU A 54 -0.364 5.906 -9.412 1.00 0.00 N ATOM 744 CA GLU A 54 -1.605 5.838 -10.250 1.00 0.00 C ATOM 745 C GLU A 54 -1.528 4.732 -11.311 1.00 0.00 C ATOM 746 O GLU A 54 -2.535 4.183 -11.712 1.00 0.00 O ATOM 747 CB GLU A 54 -1.694 7.208 -10.922 1.00 0.00 C ATOM 748 CG GLU A 54 -0.594 7.331 -11.979 1.00 0.00 C ATOM 749 CD GLU A 54 0.766 7.449 -11.289 1.00 0.00 C ATOM 750 OE1 GLU A 54 0.840 8.128 -10.279 1.00 0.00 O ATOM 751 OE2 GLU A 54 1.711 6.857 -11.784 1.00 0.00 O ATOM 0 H GLU A 54 -0.105 6.846 -9.112 1.00 0.00 H new ATOM 0 HA GLU A 54 -2.478 5.603 -9.641 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -2.673 7.335 -11.384 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -1.588 7.997 -10.178 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -0.606 6.461 -12.635 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -0.773 8.205 -12.605 1.00 0.00 H new ATOM 758 N ALA A 55 -0.358 4.408 -11.781 1.00 0.00 N ATOM 759 CA ALA A 55 -0.249 3.349 -12.827 1.00 0.00 C ATOM 760 C ALA A 55 -0.740 1.993 -12.301 1.00 0.00 C ATOM 761 O ALA A 55 -1.023 1.093 -13.065 1.00 0.00 O ATOM 762 CB ALA A 55 1.239 3.287 -13.173 1.00 0.00 C ATOM 0 H ALA A 55 0.525 4.827 -11.490 1.00 0.00 H new ATOM 0 HA ALA A 55 -0.866 3.577 -13.696 1.00 0.00 H new ATOM 0 HB1 ALA A 55 1.403 2.529 -13.939 1.00 0.00 H new ATOM 0 HB2 ALA A 55 1.566 4.257 -13.547 1.00 0.00 H new ATOM 0 HB3 ALA A 55 1.810 3.031 -12.280 1.00 0.00 H new ATOM 768 N PHE A 56 -0.845 1.833 -11.008 1.00 0.00 N ATOM 769 CA PHE A 56 -1.319 0.525 -10.456 1.00 0.00 C ATOM 770 C PHE A 56 -2.517 0.745 -9.533 1.00 0.00 C ATOM 771 O PHE A 56 -3.172 -0.189 -9.113 1.00 0.00 O ATOM 772 CB PHE A 56 -0.119 -0.028 -9.693 1.00 0.00 C ATOM 773 CG PHE A 56 0.940 -0.411 -10.708 1.00 0.00 C ATOM 774 CD1 PHE A 56 1.742 0.596 -11.264 1.00 0.00 C ATOM 775 CD2 PHE A 56 1.119 -1.751 -11.128 1.00 0.00 C ATOM 776 CE1 PHE A 56 2.704 0.282 -12.228 1.00 0.00 C ATOM 777 CE2 PHE A 56 2.088 -2.052 -12.084 1.00 0.00 C ATOM 778 CZ PHE A 56 2.876 -1.041 -12.639 1.00 0.00 C ATOM 0 H PHE A 56 -0.625 2.546 -10.312 1.00 0.00 H new ATOM 0 HA PHE A 56 -1.655 -0.165 -11.230 1.00 0.00 H new ATOM 0 HB2 PHE A 56 0.269 0.718 -8.999 1.00 0.00 H new ATOM 0 HB3 PHE A 56 -0.410 -0.895 -9.099 1.00 0.00 H new ATOM 0 HD1 PHE A 56 1.616 1.620 -10.945 1.00 0.00 H new ATOM 0 HD2 PHE A 56 0.507 -2.537 -10.710 1.00 0.00 H new ATOM 0 HE1 PHE A 56 3.315 1.063 -12.655 1.00 0.00 H new ATOM 0 HE2 PHE A 56 2.231 -3.075 -12.398 1.00 0.00 H new ATOM 0 HZ PHE A 56 3.618 -1.283 -13.386 1.00 0.00 H new ATOM 788 N THR A 57 -2.817 1.975 -9.227 1.00 0.00 N ATOM 789 CA THR A 57 -3.988 2.261 -8.347 1.00 0.00 C ATOM 790 C THR A 57 -5.269 2.198 -9.188 1.00 0.00 C ATOM 791 O THR A 57 -6.314 1.784 -8.726 1.00 0.00 O ATOM 792 CB THR A 57 -3.778 3.684 -7.806 1.00 0.00 C ATOM 793 OG1 THR A 57 -4.341 4.619 -8.716 1.00 0.00 O ATOM 794 CG2 THR A 57 -2.285 3.976 -7.636 1.00 0.00 C ATOM 0 H THR A 57 -2.304 2.796 -9.547 1.00 0.00 H new ATOM 0 HA THR A 57 -4.077 1.542 -7.532 1.00 0.00 H new ATOM 0 HB THR A 57 -4.266 3.769 -6.835 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.140 5.022 -8.318 1.00 0.00 H new ATOM 0 HG21 THR A 57 -2.154 4.988 -7.252 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.852 3.263 -6.935 1.00 0.00 H new ATOM 0 HG23 THR A 57 -1.785 3.886 -8.600 1.00 0.00 H new ATOM 802 N ASP A 58 -5.185 2.616 -10.428 1.00 0.00 N ATOM 803 CA ASP A 58 -6.380 2.596 -11.325 1.00 0.00 C ATOM 804 C ASP A 58 -6.678 1.164 -11.783 1.00 0.00 C ATOM 805 O ASP A 58 -7.761 0.856 -12.239 1.00 0.00 O ATOM 806 CB ASP A 58 -5.985 3.474 -12.517 1.00 0.00 C ATOM 807 CG ASP A 58 -5.047 2.698 -13.446 1.00 0.00 C ATOM 808 OD1 ASP A 58 -4.136 2.064 -12.940 1.00 0.00 O ATOM 809 OD2 ASP A 58 -5.258 2.751 -14.646 1.00 0.00 O ATOM 0 H ASP A 58 -4.332 2.973 -10.859 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.280 2.959 -10.828 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -6.876 3.785 -13.062 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -5.494 4.381 -12.165 1.00 0.00 H new ATOM 814 N LYS A 59 -5.721 0.292 -11.654 1.00 0.00 N ATOM 815 CA LYS A 59 -5.923 -1.130 -12.065 1.00 0.00 C ATOM 816 C LYS A 59 -6.688 -1.856 -10.994 1.00 0.00 C ATOM 817 O LYS A 59 -7.710 -2.480 -11.202 1.00 0.00 O ATOM 818 CB LYS A 59 -4.527 -1.743 -12.068 1.00 0.00 C ATOM 819 CG LYS A 59 -3.526 -0.769 -12.692 1.00 0.00 C ATOM 820 CD LYS A 59 -2.282 -1.539 -13.142 1.00 0.00 C ATOM 821 CE LYS A 59 -2.358 -1.798 -14.648 1.00 0.00 C ATOM 822 NZ LYS A 59 -1.043 -1.345 -15.182 1.00 0.00 N ATOM 0 H LYS A 59 -4.796 0.502 -11.278 1.00 0.00 H new ATOM 0 HA LYS A 59 -6.447 -1.195 -13.018 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -4.225 -1.984 -11.049 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -4.533 -2.678 -12.628 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -3.979 -0.259 -13.542 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -3.250 -0.001 -11.970 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -1.383 -0.969 -12.905 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -2.212 -2.484 -12.603 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -2.528 -2.854 -14.859 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -3.180 -1.246 -15.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -1.060 -1.379 -16.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -0.859 -0.370 -14.870 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -0.291 -1.969 -14.827 1.00 0.00 H new ATOM 836 N VAL A 60 -6.122 -1.786 -9.847 1.00 0.00 N ATOM 837 CA VAL A 60 -6.657 -2.457 -8.665 1.00 0.00 C ATOM 838 C VAL A 60 -7.843 -1.666 -8.103 1.00 0.00 C ATOM 839 O VAL A 60 -7.867 -0.453 -8.171 1.00 0.00 O ATOM 840 CB VAL A 60 -5.418 -2.438 -7.771 1.00 0.00 C ATOM 841 CG1 VAL A 60 -5.453 -1.252 -6.821 1.00 0.00 C ATOM 842 CG2 VAL A 60 -5.300 -3.749 -7.024 1.00 0.00 C ATOM 0 H VAL A 60 -5.264 -1.262 -9.674 1.00 0.00 H new ATOM 0 HA VAL A 60 -7.065 -3.457 -8.809 1.00 0.00 H new ATOM 0 HB VAL A 60 -4.532 -2.323 -8.396 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.561 -1.261 -6.195 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -5.484 -0.326 -7.396 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.339 -1.317 -6.190 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.414 -3.727 -6.389 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.186 -3.897 -6.406 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.215 -4.568 -7.738 1.00 0.00 H new ATOM 852 N PRO A 61 -8.798 -2.383 -7.580 1.00 0.00 N ATOM 853 CA PRO A 61 -10.012 -1.743 -7.018 1.00 0.00 C ATOM 854 C PRO A 61 -9.677 -0.828 -5.858 1.00 0.00 C ATOM 855 O PRO A 61 -8.627 -0.903 -5.250 1.00 0.00 O ATOM 856 CB PRO A 61 -10.877 -2.916 -6.583 1.00 0.00 C ATOM 857 CG PRO A 61 -9.915 -4.046 -6.404 1.00 0.00 C ATOM 858 CD PRO A 61 -8.846 -3.841 -7.446 1.00 0.00 C ATOM 0 HA PRO A 61 -10.517 -1.101 -7.739 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -11.407 -2.696 -5.656 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.631 -3.152 -7.333 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -9.489 -4.042 -5.401 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.411 -5.007 -6.536 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -7.887 -4.250 -7.127 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -9.102 -4.326 -8.388 1.00 0.00 H new ATOM 866 N ALA A 62 -10.577 0.055 -5.579 1.00 0.00 N ATOM 867 CA ALA A 62 -10.376 1.032 -4.493 1.00 0.00 C ATOM 868 C ALA A 62 -10.687 0.415 -3.133 1.00 0.00 C ATOM 869 O ALA A 62 -10.900 -0.775 -3.002 1.00 0.00 O ATOM 870 CB ALA A 62 -11.361 2.143 -4.828 1.00 0.00 C ATOM 0 H ALA A 62 -11.466 0.143 -6.071 1.00 0.00 H new ATOM 0 HA ALA A 62 -9.346 1.384 -4.425 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.293 2.929 -4.076 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -11.123 2.557 -5.808 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -12.374 1.740 -4.841 1.00 0.00 H new ATOM 876 N ALA A 63 -10.710 1.231 -2.128 1.00 0.00 N ATOM 877 CA ALA A 63 -11.000 0.738 -0.752 1.00 0.00 C ATOM 878 C ALA A 63 -12.460 1.020 -0.381 1.00 0.00 C ATOM 879 O ALA A 63 -13.103 1.874 -0.960 1.00 0.00 O ATOM 880 CB ALA A 63 -10.053 1.535 0.138 1.00 0.00 C ATOM 0 H ALA A 63 -10.538 2.234 -2.196 1.00 0.00 H new ATOM 0 HA ALA A 63 -10.858 -0.338 -0.651 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -10.195 1.239 1.177 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -9.023 1.338 -0.158 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -10.264 2.599 0.032 1.00 0.00 H new ATOM 886 N ASN A 64 -12.992 0.307 0.577 1.00 0.00 N ATOM 887 CA ASN A 64 -14.414 0.536 0.973 1.00 0.00 C ATOM 888 C ASN A 64 -14.503 1.391 2.242 1.00 0.00 C ATOM 889 O ASN A 64 -13.516 1.892 2.742 1.00 0.00 O ATOM 890 CB ASN A 64 -14.989 -0.855 1.230 1.00 0.00 C ATOM 891 CG ASN A 64 -14.072 -1.623 2.183 1.00 0.00 C ATOM 892 OD1 ASN A 64 -13.092 -1.087 2.664 1.00 0.00 O ATOM 893 ND2 ASN A 64 -14.348 -2.864 2.479 1.00 0.00 N ATOM 0 H ASN A 64 -12.506 -0.421 1.101 1.00 0.00 H new ATOM 0 HA ASN A 64 -14.962 1.073 0.198 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -15.988 -0.773 1.658 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -15.089 -1.397 0.290 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -13.742 -3.384 3.114 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -15.170 -3.314 2.076 1.00 0.00 H new ATOM 900 N GLU A 65 -15.691 1.555 2.763 1.00 0.00 N ATOM 901 CA GLU A 65 -15.874 2.373 3.999 1.00 0.00 C ATOM 902 C GLU A 65 -14.850 1.969 5.063 1.00 0.00 C ATOM 903 O GLU A 65 -14.508 2.744 5.933 1.00 0.00 O ATOM 904 CB GLU A 65 -17.295 2.056 4.468 1.00 0.00 C ATOM 905 CG GLU A 65 -17.328 0.675 5.126 1.00 0.00 C ATOM 906 CD GLU A 65 -18.726 0.408 5.685 1.00 0.00 C ATOM 907 OE1 GLU A 65 -19.612 1.200 5.412 1.00 0.00 O ATOM 908 OE2 GLU A 65 -18.887 -0.585 6.377 1.00 0.00 O ATOM 0 H GLU A 65 -16.548 1.154 2.383 1.00 0.00 H new ATOM 0 HA GLU A 65 -15.730 3.438 3.817 1.00 0.00 H new ATOM 0 HB2 GLU A 65 -17.632 2.814 5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -17.981 2.082 3.622 1.00 0.00 H new ATOM 0 HG2 GLU A 65 -17.063 -0.092 4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 65 -16.589 0.624 5.926 1.00 0.00 H new ATOM 915 N ARG A 66 -14.350 0.766 4.997 1.00 0.00 N ATOM 916 CA ARG A 66 -13.343 0.329 6.005 1.00 0.00 C ATOM 917 C ARG A 66 -12.083 1.172 5.859 1.00 0.00 C ATOM 918 O ARG A 66 -11.669 1.852 6.776 1.00 0.00 O ATOM 919 CB ARG A 66 -13.028 -1.128 5.666 1.00 0.00 C ATOM 920 CG ARG A 66 -13.315 -2.006 6.883 1.00 0.00 C ATOM 921 CD ARG A 66 -13.142 -3.478 6.501 1.00 0.00 C ATOM 922 NE ARG A 66 -14.147 -3.718 5.430 1.00 0.00 N ATOM 923 CZ ARG A 66 -14.305 -4.917 4.940 1.00 0.00 C ATOM 924 NH1 ARG A 66 -13.447 -5.386 4.074 1.00 0.00 N ATOM 925 NH2 ARG A 66 -15.320 -5.647 5.315 1.00 0.00 N ATOM 0 H ARG A 66 -14.593 0.070 4.293 1.00 0.00 H new ATOM 0 HA ARG A 66 -13.710 0.438 7.025 1.00 0.00 H new ATOM 0 HB2 ARG A 66 -13.631 -1.454 4.818 1.00 0.00 H new ATOM 0 HB3 ARG A 66 -11.983 -1.227 5.371 1.00 0.00 H new ATOM 0 HG2 ARG A 66 -12.639 -1.749 7.698 1.00 0.00 H new ATOM 0 HG3 ARG A 66 -14.329 -1.829 7.242 1.00 0.00 H new ATOM 0 HD2 ARG A 66 -12.131 -3.677 6.146 1.00 0.00 H new ATOM 0 HD3 ARG A 66 -13.314 -4.131 7.357 1.00 0.00 H new ATOM 0 HE ARG A 66 -14.712 -2.945 5.079 1.00 0.00 H new ATOM 0 HH11 ARG A 66 -12.654 -4.815 3.781 1.00 0.00 H new ATOM 0 HH12 ARG A 66 -13.570 -6.323 3.691 1.00 0.00 H new ATOM 0 HH21 ARG A 66 -15.990 -5.280 5.991 1.00 0.00 H new ATOM 0 HH22 ARG A 66 -15.443 -6.584 4.932 1.00 0.00 H new ATOM 939 N GLU A 67 -11.476 1.138 4.708 1.00 0.00 N ATOM 940 CA GLU A 67 -10.235 1.930 4.484 1.00 0.00 C ATOM 941 C GLU A 67 -10.506 3.445 4.510 1.00 0.00 C ATOM 942 O GLU A 67 -9.689 4.228 4.093 1.00 0.00 O ATOM 943 CB GLU A 67 -9.752 1.499 3.097 1.00 0.00 C ATOM 944 CG GLU A 67 -8.694 2.485 2.601 1.00 0.00 C ATOM 945 CD GLU A 67 -7.635 1.755 1.791 1.00 0.00 C ATOM 946 OE1 GLU A 67 -6.906 0.972 2.373 1.00 0.00 O ATOM 947 OE2 GLU A 67 -7.571 1.994 0.604 1.00 0.00 O ATOM 0 H GLU A 67 -11.788 0.591 3.906 1.00 0.00 H new ATOM 0 HA GLU A 67 -9.499 1.749 5.268 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -9.336 0.493 3.141 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -10.590 1.467 2.401 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -9.163 3.256 1.989 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -8.230 2.989 3.449 1.00 0.00 H new ATOM 954 N ILE A 68 -11.628 3.891 4.984 1.00 0.00 N ATOM 955 CA ILE A 68 -11.853 5.356 5.001 1.00 0.00 C ATOM 956 C ILE A 68 -11.363 5.940 6.336 1.00 0.00 C ATOM 957 O ILE A 68 -10.823 7.024 6.378 1.00 0.00 O ATOM 958 CB ILE A 68 -13.367 5.525 4.804 1.00 0.00 C ATOM 959 CG1 ILE A 68 -13.663 5.731 3.315 1.00 0.00 C ATOM 960 CG2 ILE A 68 -13.886 6.736 5.585 1.00 0.00 C ATOM 961 CD1 ILE A 68 -12.908 4.686 2.490 1.00 0.00 C ATOM 0 H ILE A 68 -12.387 3.318 5.354 1.00 0.00 H new ATOM 0 HA ILE A 68 -11.304 5.888 4.224 1.00 0.00 H new ATOM 0 HB ILE A 68 -13.866 4.628 5.171 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -14.734 5.648 3.132 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -13.365 6.734 3.010 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -14.960 6.836 5.430 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -13.684 6.598 6.647 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -13.384 7.638 5.234 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -13.121 4.835 1.431 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -11.837 4.790 2.663 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -13.228 3.687 2.787 1.00 0.00 H new ATOM 973 N GLY A 69 -11.543 5.231 7.423 1.00 0.00 N ATOM 974 CA GLY A 69 -11.074 5.759 8.744 1.00 0.00 C ATOM 975 C GLY A 69 -9.635 5.300 9.002 1.00 0.00 C ATOM 976 O GLY A 69 -8.748 6.104 9.193 1.00 0.00 O ATOM 0 H GLY A 69 -11.991 4.315 7.454 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -11.125 6.848 8.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -11.728 5.404 9.541 1.00 0.00 H new ATOM 980 N MET A 70 -9.394 4.017 8.996 1.00 0.00 N ATOM 981 CA MET A 70 -8.000 3.522 9.228 1.00 0.00 C ATOM 982 C MET A 70 -7.042 4.304 8.346 1.00 0.00 C ATOM 983 O MET A 70 -5.987 4.738 8.755 1.00 0.00 O ATOM 984 CB MET A 70 -7.981 2.065 8.741 1.00 0.00 C ATOM 985 CG MET A 70 -8.773 1.923 7.437 1.00 0.00 C ATOM 986 SD MET A 70 -9.558 0.304 7.399 1.00 0.00 S ATOM 987 CE MET A 70 -8.205 -0.474 6.519 1.00 0.00 C ATOM 0 H MET A 70 -10.095 3.292 8.842 1.00 0.00 H new ATOM 0 HA MET A 70 -7.714 3.624 10.275 1.00 0.00 H new ATOM 0 HB2 MET A 70 -6.952 1.741 8.585 1.00 0.00 H new ATOM 0 HB3 MET A 70 -8.408 1.415 9.505 1.00 0.00 H new ATOM 0 HG2 MET A 70 -9.526 2.708 7.367 1.00 0.00 H new ATOM 0 HG3 MET A 70 -8.110 2.040 6.580 1.00 0.00 H new ATOM 0 HE1 MET A 70 -8.603 -1.178 5.788 1.00 0.00 H new ATOM 0 HE2 MET A 70 -7.618 0.288 6.006 1.00 0.00 H new ATOM 0 HE3 MET A 70 -7.569 -1.006 7.226 1.00 0.00 H new ATOM 997 N LEU A 71 -7.427 4.465 7.128 1.00 0.00 N ATOM 998 CA LEU A 71 -6.602 5.189 6.139 1.00 0.00 C ATOM 999 C LEU A 71 -6.597 6.686 6.473 1.00 0.00 C ATOM 1000 O LEU A 71 -5.630 7.385 6.237 1.00 0.00 O ATOM 1001 CB LEU A 71 -7.367 4.866 4.866 1.00 0.00 C ATOM 1002 CG LEU A 71 -6.592 5.203 3.587 1.00 0.00 C ATOM 1003 CD1 LEU A 71 -7.606 5.675 2.542 1.00 0.00 C ATOM 1004 CD2 LEU A 71 -5.559 6.312 3.830 1.00 0.00 C ATOM 0 H LEU A 71 -8.311 4.113 6.760 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.548 4.917 6.090 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -7.618 3.805 4.861 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.308 5.416 4.867 1.00 0.00 H new ATOM 0 HG LEU A 71 -6.052 4.318 3.249 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -7.086 5.924 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.328 4.881 2.351 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -8.127 6.557 2.913 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -5.029 6.525 2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.067 7.214 4.173 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -4.847 5.986 4.588 1.00 0.00 H new ATOM 1016 N GLU A 72 -7.668 7.175 7.044 1.00 0.00 N ATOM 1017 CA GLU A 72 -7.735 8.619 7.421 1.00 0.00 C ATOM 1018 C GLU A 72 -7.233 8.823 8.858 1.00 0.00 C ATOM 1019 O GLU A 72 -7.023 9.937 9.295 1.00 0.00 O ATOM 1020 CB GLU A 72 -9.217 8.985 7.326 1.00 0.00 C ATOM 1021 CG GLU A 72 -9.489 10.261 8.128 1.00 0.00 C ATOM 1022 CD GLU A 72 -10.502 11.129 7.379 1.00 0.00 C ATOM 1023 OE1 GLU A 72 -10.105 11.784 6.430 1.00 0.00 O ATOM 1024 OE2 GLU A 72 -11.659 11.124 7.769 1.00 0.00 O ATOM 0 H GLU A 72 -8.503 6.633 7.266 1.00 0.00 H new ATOM 0 HA GLU A 72 -7.113 9.238 6.774 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -9.498 9.133 6.283 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -9.828 8.167 7.708 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -9.872 10.007 9.116 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.561 10.813 8.278 1.00 0.00 H new ATOM 1031 N CYS A 73 -7.050 7.770 9.604 1.00 0.00 N ATOM 1032 CA CYS A 73 -6.583 7.947 11.007 1.00 0.00 C ATOM 1033 C CYS A 73 -5.386 8.893 11.021 1.00 0.00 C ATOM 1034 O CYS A 73 -5.364 9.871 11.741 1.00 0.00 O ATOM 1035 CB CYS A 73 -6.180 6.551 11.479 1.00 0.00 C ATOM 1036 SG CYS A 73 -7.195 6.079 12.901 1.00 0.00 S ATOM 0 H CYS A 73 -7.201 6.806 9.308 1.00 0.00 H new ATOM 0 HA CYS A 73 -7.347 8.376 11.656 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -6.309 5.831 10.671 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -5.125 6.538 11.752 1.00 0.00 H new ATOM 0 HG CYS A 73 -6.854 4.890 13.302 1.00 0.00 H new ATOM 1042 N VAL A 74 -4.405 8.631 10.208 1.00 0.00 N ATOM 1043 CA VAL A 74 -3.234 9.543 10.156 1.00 0.00 C ATOM 1044 C VAL A 74 -3.492 10.621 9.099 1.00 0.00 C ATOM 1045 O VAL A 74 -3.285 10.414 7.920 1.00 0.00 O ATOM 1046 CB VAL A 74 -2.045 8.661 9.770 1.00 0.00 C ATOM 1047 CG1 VAL A 74 -1.937 7.489 10.747 1.00 0.00 C ATOM 1048 CG2 VAL A 74 -2.247 8.117 8.357 1.00 0.00 C ATOM 0 H VAL A 74 -4.363 7.828 9.580 1.00 0.00 H new ATOM 0 HA VAL A 74 -3.047 10.051 11.102 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.132 9.255 9.807 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -1.090 6.862 10.471 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -1.792 7.870 11.758 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -2.853 6.899 10.710 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -1.399 7.489 8.084 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -3.162 7.526 8.322 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -2.324 8.947 7.655 1.00 0.00 H new ATOM 1058 N THR A 75 -3.966 11.765 9.511 1.00 0.00 N ATOM 1059 CA THR A 75 -4.263 12.846 8.530 1.00 0.00 C ATOM 1060 C THR A 75 -3.085 13.036 7.575 1.00 0.00 C ATOM 1061 O THR A 75 -2.117 13.704 7.880 1.00 0.00 O ATOM 1062 CB THR A 75 -4.456 14.099 9.383 1.00 0.00 C ATOM 1063 OG1 THR A 75 -4.811 15.191 8.546 1.00 0.00 O ATOM 1064 CG2 THR A 75 -3.153 14.419 10.121 1.00 0.00 C ATOM 0 H THR A 75 -4.160 11.997 10.485 1.00 0.00 H new ATOM 0 HA THR A 75 -5.136 12.620 7.918 1.00 0.00 H new ATOM 0 HB THR A 75 -5.250 13.927 10.109 1.00 0.00 H new ATOM 0 HG1 THR A 75 -4.936 15.995 9.092 1.00 0.00 H new ATOM 0 HG21 THR A 75 -3.290 15.313 10.730 1.00 0.00 H new ATOM 0 HG22 THR A 75 -2.883 13.580 10.763 1.00 0.00 H new ATOM 0 HG23 THR A 75 -2.357 14.592 9.396 1.00 0.00 H new ATOM 1072 N ALA A 76 -3.166 12.447 6.415 1.00 0.00 N ATOM 1073 CA ALA A 76 -2.064 12.579 5.424 1.00 0.00 C ATOM 1074 C ALA A 76 -2.622 13.062 4.087 1.00 0.00 C ATOM 1075 O ALA A 76 -2.302 12.522 3.048 1.00 0.00 O ATOM 1076 CB ALA A 76 -1.497 11.166 5.283 1.00 0.00 C ATOM 0 H ALA A 76 -3.954 11.876 6.110 1.00 0.00 H new ATOM 0 HA ALA A 76 -1.306 13.297 5.735 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.675 11.173 4.567 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -1.132 10.822 6.251 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -2.279 10.494 4.931 1.00 0.00 H new ATOM 1082 N GLU A 77 -3.468 14.062 4.112 1.00 0.00 N ATOM 1083 CA GLU A 77 -4.068 14.574 2.844 1.00 0.00 C ATOM 1084 C GLU A 77 -4.392 13.404 1.928 1.00 0.00 C ATOM 1085 O GLU A 77 -3.913 13.311 0.816 1.00 0.00 O ATOM 1086 CB GLU A 77 -3.022 15.507 2.222 1.00 0.00 C ATOM 1087 CG GLU A 77 -1.732 14.734 1.938 1.00 0.00 C ATOM 1088 CD GLU A 77 -0.810 15.584 1.062 1.00 0.00 C ATOM 1089 OE1 GLU A 77 -1.324 16.395 0.308 1.00 0.00 O ATOM 1090 OE2 GLU A 77 0.393 15.410 1.159 1.00 0.00 O ATOM 0 H GLU A 77 -3.769 14.546 4.958 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.000 15.113 3.014 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -3.409 15.936 1.298 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -2.817 16.338 2.897 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -1.232 14.483 2.874 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -1.962 13.794 1.437 1.00 0.00 H new ATOM 1097 N LEU A 78 -5.206 12.515 2.418 1.00 0.00 N ATOM 1098 CA LEU A 78 -5.612 11.316 1.641 1.00 0.00 C ATOM 1099 C LEU A 78 -5.614 11.595 0.137 1.00 0.00 C ATOM 1100 O LEU A 78 -6.157 12.579 -0.325 1.00 0.00 O ATOM 1101 CB LEU A 78 -7.022 11.041 2.130 1.00 0.00 C ATOM 1102 CG LEU A 78 -7.581 9.801 1.428 1.00 0.00 C ATOM 1103 CD1 LEU A 78 -6.533 8.686 1.414 1.00 0.00 C ATOM 1104 CD2 LEU A 78 -8.812 9.313 2.185 1.00 0.00 C ATOM 0 H LEU A 78 -5.617 12.572 3.350 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.930 10.477 1.784 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.019 10.889 3.209 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -7.660 11.902 1.931 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.845 10.060 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -6.942 7.809 0.912 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -5.645 9.028 0.882 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.265 8.426 2.438 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -9.216 8.430 1.691 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -8.534 9.061 3.208 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -9.567 10.099 2.197 1.00 0.00 H new ATOM 1116 N LYS A 79 -5.014 10.729 -0.630 1.00 0.00 N ATOM 1117 CA LYS A 79 -4.982 10.930 -2.106 1.00 0.00 C ATOM 1118 C LYS A 79 -6.073 10.074 -2.751 1.00 0.00 C ATOM 1119 O LYS A 79 -6.673 9.249 -2.093 1.00 0.00 O ATOM 1120 CB LYS A 79 -3.596 10.445 -2.542 1.00 0.00 C ATOM 1121 CG LYS A 79 -2.543 10.896 -1.527 1.00 0.00 C ATOM 1122 CD LYS A 79 -1.156 10.689 -2.123 1.00 0.00 C ATOM 1123 CE LYS A 79 -0.472 12.042 -2.231 1.00 0.00 C ATOM 1124 NZ LYS A 79 0.558 11.873 -3.294 1.00 0.00 N ATOM 0 H LYS A 79 -4.543 9.888 -0.298 1.00 0.00 H new ATOM 0 HA LYS A 79 -5.156 11.966 -2.397 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -3.591 9.358 -2.626 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -3.356 10.842 -3.529 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -2.691 11.946 -1.273 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -2.644 10.327 -0.603 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -0.570 10.017 -1.496 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -1.231 10.223 -3.105 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -1.185 12.824 -2.493 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -0.017 12.330 -1.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 1.072 12.768 -3.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.227 11.127 -3.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 0.095 11.606 -4.186 1.00 0.00 H new ATOM 1138 N PRO A 80 -6.292 10.282 -4.020 1.00 0.00 N ATOM 1139 CA PRO A 80 -7.316 9.491 -4.740 1.00 0.00 C ATOM 1140 C PRO A 80 -6.871 8.032 -4.833 1.00 0.00 C ATOM 1141 O PRO A 80 -7.677 7.124 -4.888 1.00 0.00 O ATOM 1142 CB PRO A 80 -7.372 10.142 -6.119 1.00 0.00 C ATOM 1143 CG PRO A 80 -6.045 10.809 -6.278 1.00 0.00 C ATOM 1144 CD PRO A 80 -5.621 11.244 -4.902 1.00 0.00 C ATOM 0 HA PRO A 80 -8.289 9.485 -4.248 1.00 0.00 H new ATOM 0 HB2 PRO A 80 -7.539 9.401 -6.900 1.00 0.00 H new ATOM 0 HB3 PRO A 80 -8.188 10.862 -6.184 1.00 0.00 H new ATOM 0 HG2 PRO A 80 -5.316 10.124 -6.711 1.00 0.00 H new ATOM 0 HG3 PRO A 80 -6.118 11.664 -6.950 1.00 0.00 H new ATOM 0 HD2 PRO A 80 -4.538 11.209 -4.785 1.00 0.00 H new ATOM 0 HD3 PRO A 80 -5.931 12.267 -4.691 1.00 0.00 H new ATOM 1152 N ASN A 81 -5.587 7.805 -4.848 1.00 0.00 N ATOM 1153 CA ASN A 81 -5.077 6.408 -4.935 1.00 0.00 C ATOM 1154 C ASN A 81 -4.539 5.933 -3.579 1.00 0.00 C ATOM 1155 O ASN A 81 -4.157 4.790 -3.427 1.00 0.00 O ATOM 1156 CB ASN A 81 -3.947 6.456 -5.959 1.00 0.00 C ATOM 1157 CG ASN A 81 -2.948 7.550 -5.578 1.00 0.00 C ATOM 1158 OD1 ASN A 81 -3.239 8.396 -4.756 1.00 0.00 O ATOM 1159 ND2 ASN A 81 -1.773 7.567 -6.144 1.00 0.00 N ATOM 0 H ASN A 81 -4.868 8.527 -4.804 1.00 0.00 H new ATOM 0 HA ASN A 81 -5.866 5.713 -5.221 1.00 0.00 H new ATOM 0 HB2 ASN A 81 -3.443 5.490 -6.004 1.00 0.00 H new ATOM 0 HB3 ASN A 81 -4.352 6.651 -6.952 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -1.098 8.291 -5.897 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -1.529 6.857 -6.834 1.00 0.00 H new ATOM 1166 N SER A 82 -4.495 6.790 -2.593 1.00 0.00 N ATOM 1167 CA SER A 82 -3.970 6.356 -1.264 1.00 0.00 C ATOM 1168 C SER A 82 -4.618 5.043 -0.836 1.00 0.00 C ATOM 1169 O SER A 82 -5.628 4.633 -1.370 1.00 0.00 O ATOM 1170 CB SER A 82 -4.389 7.458 -0.301 1.00 0.00 C ATOM 1171 OG SER A 82 -3.738 8.662 -0.655 1.00 0.00 O ATOM 0 H SER A 82 -4.797 7.763 -2.648 1.00 0.00 H new ATOM 0 HA SER A 82 -2.892 6.198 -1.288 1.00 0.00 H new ATOM 0 HB2 SER A 82 -5.470 7.593 -0.333 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.133 7.180 0.721 1.00 0.00 H new ATOM 0 HG SER A 82 -2.793 8.610 -0.402 1.00 0.00 H new ATOM 1177 N ARG A 83 -4.045 4.384 0.132 1.00 0.00 N ATOM 1178 CA ARG A 83 -4.633 3.102 0.599 1.00 0.00 C ATOM 1179 C ARG A 83 -3.867 2.568 1.809 1.00 0.00 C ATOM 1180 O ARG A 83 -2.855 3.104 2.204 1.00 0.00 O ATOM 1181 CB ARG A 83 -4.486 2.150 -0.588 1.00 0.00 C ATOM 1182 CG ARG A 83 -5.850 1.897 -1.203 1.00 0.00 C ATOM 1183 CD ARG A 83 -5.712 1.671 -2.701 1.00 0.00 C ATOM 1184 NE ARG A 83 -7.077 1.905 -3.206 1.00 0.00 N ATOM 1185 CZ ARG A 83 -7.263 2.387 -4.405 1.00 0.00 C ATOM 1186 NH1 ARG A 83 -6.719 1.800 -5.435 1.00 0.00 N ATOM 1187 NH2 ARG A 83 -7.993 3.456 -4.572 1.00 0.00 N ATOM 0 H ARG A 83 -3.198 4.678 0.618 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.671 3.216 0.912 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -3.814 2.579 -1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -4.042 1.210 -0.261 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -6.312 1.027 -0.737 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -6.506 2.746 -1.014 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -4.994 2.359 -3.147 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -5.367 0.662 -2.926 1.00 0.00 H new ATOM 0 HE ARG A 83 -7.880 1.689 -2.616 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -6.149 0.965 -5.304 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -6.864 2.176 -6.372 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -8.418 3.914 -3.766 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -8.139 3.833 -5.509 1.00 0.00 H new ATOM 1201 N LEU A 84 -4.340 1.501 2.386 1.00 0.00 N ATOM 1202 CA LEU A 84 -3.637 0.903 3.564 1.00 0.00 C ATOM 1203 C LEU A 84 -2.739 -0.240 3.091 1.00 0.00 C ATOM 1204 O LEU A 84 -3.118 -1.000 2.222 1.00 0.00 O ATOM 1205 CB LEU A 84 -4.744 0.316 4.449 1.00 0.00 C ATOM 1206 CG LEU A 84 -4.669 0.877 5.875 1.00 0.00 C ATOM 1207 CD1 LEU A 84 -5.535 0.007 6.776 1.00 0.00 C ATOM 1208 CD2 LEU A 84 -3.241 0.809 6.408 1.00 0.00 C ATOM 0 H LEU A 84 -5.186 1.012 2.095 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.028 1.640 4.088 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.718 0.544 4.016 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.654 -0.770 4.477 1.00 0.00 H new ATOM 0 HG LEU A 84 -5.005 1.914 5.863 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -5.496 0.388 7.796 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -6.565 0.027 6.420 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -5.164 -1.018 6.757 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.211 1.212 7.420 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.906 -0.228 6.420 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -2.584 1.395 5.765 1.00 0.00 H new ATOM 1220 N SER A 85 -1.571 -0.403 3.668 1.00 0.00 N ATOM 1221 CA SER A 85 -0.709 -1.541 3.244 1.00 0.00 C ATOM 1222 C SER A 85 -1.593 -2.787 3.161 1.00 0.00 C ATOM 1223 O SER A 85 -1.363 -3.696 2.390 1.00 0.00 O ATOM 1224 CB SER A 85 0.320 -1.732 4.352 1.00 0.00 C ATOM 1225 OG SER A 85 0.952 -0.496 4.645 1.00 0.00 O ATOM 0 H SER A 85 -1.187 0.194 4.401 1.00 0.00 H new ATOM 0 HA SER A 85 -0.226 -1.365 2.283 1.00 0.00 H new ATOM 0 HB2 SER A 85 -0.165 -2.123 5.246 1.00 0.00 H new ATOM 0 HB3 SER A 85 1.064 -2.467 4.046 1.00 0.00 H new ATOM 0 HG SER A 85 0.284 0.221 4.646 1.00 0.00 H new ATOM 1231 N CYS A 86 -2.610 -2.799 3.988 1.00 0.00 N ATOM 1232 CA CYS A 86 -3.565 -3.957 4.056 1.00 0.00 C ATOM 1233 C CYS A 86 -4.852 -3.708 3.259 1.00 0.00 C ATOM 1234 O CYS A 86 -5.922 -4.084 3.693 1.00 0.00 O ATOM 1235 CB CYS A 86 -3.924 -4.128 5.554 1.00 0.00 C ATOM 1236 SG CYS A 86 -4.020 -2.524 6.423 1.00 0.00 S ATOM 0 H CYS A 86 -2.825 -2.039 4.634 1.00 0.00 H new ATOM 0 HA CYS A 86 -3.097 -4.842 3.624 1.00 0.00 H new ATOM 0 HB2 CYS A 86 -4.880 -4.645 5.641 1.00 0.00 H new ATOM 0 HB3 CYS A 86 -3.176 -4.757 6.036 1.00 0.00 H new ATOM 0 HG CYS A 86 -2.832 -2.171 6.815 1.00 0.00 H new ATOM 1241 N GLN A 87 -4.790 -3.089 2.111 1.00 0.00 N ATOM 1242 CA GLN A 87 -6.062 -2.866 1.362 1.00 0.00 C ATOM 1243 C GLN A 87 -6.013 -3.375 -0.074 1.00 0.00 C ATOM 1244 O GLN A 87 -6.952 -3.974 -0.561 1.00 0.00 O ATOM 1245 CB GLN A 87 -6.297 -1.363 1.367 1.00 0.00 C ATOM 1246 CG GLN A 87 -7.678 -1.095 0.766 1.00 0.00 C ATOM 1247 CD GLN A 87 -8.762 -1.329 1.825 1.00 0.00 C ATOM 1248 OE1 GLN A 87 -9.916 -1.021 1.603 1.00 0.00 O ATOM 1249 NE2 GLN A 87 -8.445 -1.870 2.973 1.00 0.00 N ATOM 0 H GLN A 87 -3.941 -2.737 1.669 1.00 0.00 H new ATOM 0 HA GLN A 87 -6.866 -3.422 1.844 1.00 0.00 H new ATOM 0 HB2 GLN A 87 -6.242 -0.973 2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 87 -5.525 -0.855 0.788 1.00 0.00 H new ATOM 0 HG2 GLN A 87 -7.732 -0.070 0.398 1.00 0.00 H new ATOM 0 HG3 GLN A 87 -7.845 -1.750 -0.089 1.00 0.00 H new ATOM 0 HE21 GLN A 87 -7.478 -2.130 3.164 1.00 0.00 H new ATOM 0 HE22 GLN A 87 -9.165 -2.031 3.677 1.00 0.00 H new ATOM 1258 N ILE A 88 -4.958 -3.107 -0.771 1.00 0.00 N ATOM 1259 CA ILE A 88 -4.899 -3.541 -2.199 1.00 0.00 C ATOM 1260 C ILE A 88 -4.404 -4.974 -2.332 1.00 0.00 C ATOM 1261 O ILE A 88 -3.623 -5.464 -1.539 1.00 0.00 O ATOM 1262 CB ILE A 88 -3.928 -2.605 -2.926 1.00 0.00 C ATOM 1263 CG1 ILE A 88 -3.857 -1.233 -2.239 1.00 0.00 C ATOM 1264 CG2 ILE A 88 -4.410 -2.422 -4.365 1.00 0.00 C ATOM 1265 CD1 ILE A 88 -3.160 -0.225 -3.167 1.00 0.00 C ATOM 0 H ILE A 88 -4.136 -2.611 -0.427 1.00 0.00 H new ATOM 0 HA ILE A 88 -5.900 -3.497 -2.628 1.00 0.00 H new ATOM 0 HB ILE A 88 -2.932 -3.048 -2.904 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -4.861 -0.885 -1.996 1.00 0.00 H new ATOM 0 HG13 ILE A 88 -3.312 -1.314 -1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 88 -3.728 -1.757 -4.895 1.00 0.00 H new ATOM 0 HG22 ILE A 88 -4.436 -3.390 -4.866 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -5.410 -1.988 -4.361 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -3.111 0.747 -2.677 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -2.150 -0.571 -3.388 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -3.724 -0.135 -4.096 1.00 0.00 H new ATOM 1277 N ILE A 89 -4.842 -5.631 -3.362 1.00 0.00 N ATOM 1278 CA ILE A 89 -4.406 -7.022 -3.624 1.00 0.00 C ATOM 1279 C ILE A 89 -3.525 -7.028 -4.871 1.00 0.00 C ATOM 1280 O ILE A 89 -3.542 -6.095 -5.650 1.00 0.00 O ATOM 1281 CB ILE A 89 -5.697 -7.803 -3.863 1.00 0.00 C ATOM 1282 CG1 ILE A 89 -6.406 -8.058 -2.528 1.00 0.00 C ATOM 1283 CG2 ILE A 89 -5.366 -9.136 -4.529 1.00 0.00 C ATOM 1284 CD1 ILE A 89 -5.398 -8.564 -1.493 1.00 0.00 C ATOM 0 H ILE A 89 -5.497 -5.254 -4.047 1.00 0.00 H new ATOM 0 HA ILE A 89 -3.829 -7.457 -2.808 1.00 0.00 H new ATOM 0 HB ILE A 89 -6.354 -7.224 -4.511 1.00 0.00 H new ATOM 0 HG12 ILE A 89 -6.875 -7.140 -2.174 1.00 0.00 H new ATOM 0 HG13 ILE A 89 -7.202 -8.791 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 89 -6.286 -9.695 -4.701 1.00 0.00 H new ATOM 0 HG22 ILE A 89 -4.869 -8.953 -5.482 1.00 0.00 H new ATOM 0 HG23 ILE A 89 -4.706 -9.713 -3.881 1.00 0.00 H new ATOM 0 HD11 ILE A 89 -5.908 -8.743 -0.546 1.00 0.00 H new ATOM 0 HD12 ILE A 89 -4.950 -9.493 -1.846 1.00 0.00 H new ATOM 0 HD13 ILE A 89 -4.618 -7.816 -1.349 1.00 0.00 H new ATOM 1296 N MET A 90 -2.750 -8.050 -5.074 1.00 0.00 N ATOM 1297 CA MET A 90 -1.878 -8.068 -6.279 1.00 0.00 C ATOM 1298 C MET A 90 -2.354 -9.117 -7.286 1.00 0.00 C ATOM 1299 O MET A 90 -2.256 -10.305 -7.055 1.00 0.00 O ATOM 1300 CB MET A 90 -0.487 -8.412 -5.753 1.00 0.00 C ATOM 1301 CG MET A 90 0.560 -7.608 -6.522 1.00 0.00 C ATOM 1302 SD MET A 90 0.240 -5.837 -6.326 1.00 0.00 S ATOM 1303 CE MET A 90 0.172 -5.431 -8.089 1.00 0.00 C ATOM 0 H MET A 90 -2.681 -8.867 -4.467 1.00 0.00 H new ATOM 0 HA MET A 90 -1.893 -7.114 -6.806 1.00 0.00 H new ATOM 0 HB2 MET A 90 -0.423 -8.188 -4.688 1.00 0.00 H new ATOM 0 HB3 MET A 90 -0.297 -9.479 -5.866 1.00 0.00 H new ATOM 0 HG2 MET A 90 1.558 -7.849 -6.156 1.00 0.00 H new ATOM 0 HG3 MET A 90 0.534 -7.877 -7.578 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.090 -4.380 -8.210 1.00 0.00 H new ATOM 0 HE2 MET A 90 1.145 -5.617 -8.543 1.00 0.00 H new ATOM 0 HE3 MET A 90 -0.580 -6.051 -8.576 1.00 0.00 H new ATOM 1313 N THR A 91 -2.856 -8.681 -8.410 1.00 0.00 N ATOM 1314 CA THR A 91 -3.325 -9.648 -9.442 1.00 0.00 C ATOM 1315 C THR A 91 -2.180 -9.964 -10.408 1.00 0.00 C ATOM 1316 O THR A 91 -1.256 -9.188 -10.547 1.00 0.00 O ATOM 1317 CB THR A 91 -4.464 -8.931 -10.169 1.00 0.00 C ATOM 1318 OG1 THR A 91 -4.275 -7.527 -10.070 1.00 0.00 O ATOM 1319 CG2 THR A 91 -5.799 -9.312 -9.528 1.00 0.00 C ATOM 0 H THR A 91 -2.961 -7.697 -8.657 1.00 0.00 H new ATOM 0 HA THR A 91 -3.655 -10.594 -9.013 1.00 0.00 H new ATOM 0 HB THR A 91 -4.469 -9.226 -11.218 1.00 0.00 H new ATOM 0 HG1 THR A 91 -5.044 -7.125 -9.616 1.00 0.00 H new ATOM 0 HG21 THR A 91 -6.610 -8.801 -10.046 1.00 0.00 H new ATOM 0 HG22 THR A 91 -5.943 -10.390 -9.602 1.00 0.00 H new ATOM 0 HG23 THR A 91 -5.796 -9.017 -8.479 1.00 0.00 H new ATOM 1327 N PRO A 92 -2.275 -11.099 -11.041 1.00 0.00 N ATOM 1328 CA PRO A 92 -1.224 -11.529 -11.999 1.00 0.00 C ATOM 1329 C PRO A 92 -1.224 -10.651 -13.255 1.00 0.00 C ATOM 1330 O PRO A 92 -0.409 -10.824 -14.140 1.00 0.00 O ATOM 1331 CB PRO A 92 -1.607 -12.971 -12.325 1.00 0.00 C ATOM 1332 CG PRO A 92 -3.073 -13.054 -12.049 1.00 0.00 C ATOM 1333 CD PRO A 92 -3.362 -12.079 -10.937 1.00 0.00 C ATOM 0 HA PRO A 92 -0.217 -11.443 -11.591 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.387 -13.212 -13.365 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.049 -13.676 -11.709 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -3.649 -12.806 -12.940 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.355 -14.066 -11.759 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -4.338 -11.609 -11.060 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.366 -12.571 -9.964 1.00 0.00 H new ATOM 1341 N GLU A 93 -2.117 -9.703 -13.340 1.00 0.00 N ATOM 1342 CA GLU A 93 -2.147 -8.816 -14.539 1.00 0.00 C ATOM 1343 C GLU A 93 -1.692 -7.402 -14.159 1.00 0.00 C ATOM 1344 O GLU A 93 -1.170 -6.667 -14.971 1.00 0.00 O ATOM 1345 CB GLU A 93 -3.606 -8.809 -14.999 1.00 0.00 C ATOM 1346 CG GLU A 93 -4.526 -8.594 -13.797 1.00 0.00 C ATOM 1347 CD GLU A 93 -5.128 -9.932 -13.367 1.00 0.00 C ATOM 1348 OE1 GLU A 93 -4.616 -10.954 -13.795 1.00 0.00 O ATOM 1349 OE2 GLU A 93 -6.090 -9.914 -12.616 1.00 0.00 O ATOM 0 H GLU A 93 -2.825 -9.504 -12.634 1.00 0.00 H new ATOM 0 HA GLU A 93 -1.479 -9.164 -15.327 1.00 0.00 H new ATOM 0 HB2 GLU A 93 -3.762 -8.019 -15.734 1.00 0.00 H new ATOM 0 HB3 GLU A 93 -3.847 -9.752 -15.489 1.00 0.00 H new ATOM 0 HG2 GLU A 93 -3.966 -8.153 -12.972 1.00 0.00 H new ATOM 0 HG3 GLU A 93 -5.320 -7.892 -14.054 1.00 0.00 H new ATOM 1356 N LEU A 94 -1.891 -7.018 -12.926 1.00 0.00 N ATOM 1357 CA LEU A 94 -1.476 -5.652 -12.481 1.00 0.00 C ATOM 1358 C LEU A 94 -0.124 -5.723 -11.801 1.00 0.00 C ATOM 1359 O LEU A 94 0.029 -5.387 -10.644 1.00 0.00 O ATOM 1360 CB LEU A 94 -2.544 -5.225 -11.492 1.00 0.00 C ATOM 1361 CG LEU A 94 -3.924 -5.557 -12.060 1.00 0.00 C ATOM 1362 CD1 LEU A 94 -4.981 -4.776 -11.287 1.00 0.00 C ATOM 1363 CD2 LEU A 94 -3.976 -5.173 -13.546 1.00 0.00 C ATOM 0 H LEU A 94 -2.325 -7.593 -12.204 1.00 0.00 H new ATOM 0 HA LEU A 94 -1.384 -4.951 -13.311 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -2.398 -5.735 -10.540 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -2.467 -4.156 -11.296 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.116 -6.626 -11.963 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -5.969 -5.007 -11.686 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.941 -5.054 -10.234 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.790 -3.708 -11.388 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -4.961 -5.411 -13.949 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -3.788 -4.105 -13.652 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -3.216 -5.731 -14.093 1.00 0.00 H new ATOM 1375 N ASP A 95 0.847 -6.198 -12.502 1.00 0.00 N ATOM 1376 CA ASP A 95 2.197 -6.342 -11.892 1.00 0.00 C ATOM 1377 C ASP A 95 3.149 -5.213 -12.296 1.00 0.00 C ATOM 1378 O ASP A 95 3.041 -4.632 -13.358 1.00 0.00 O ATOM 1379 CB ASP A 95 2.678 -7.721 -12.375 1.00 0.00 C ATOM 1380 CG ASP A 95 4.038 -7.629 -13.081 1.00 0.00 C ATOM 1381 OD1 ASP A 95 4.149 -6.849 -14.012 1.00 0.00 O ATOM 1382 OD2 ASP A 95 4.942 -8.340 -12.676 1.00 0.00 O ATOM 0 H ASP A 95 0.774 -6.496 -13.475 1.00 0.00 H new ATOM 0 HA ASP A 95 2.167 -6.273 -10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 95 2.754 -8.399 -11.525 1.00 0.00 H new ATOM 0 HB3 ASP A 95 1.941 -8.146 -13.057 1.00 0.00 H new ATOM 1387 N GLY A 96 4.082 -4.908 -11.429 1.00 0.00 N ATOM 1388 CA GLY A 96 5.052 -3.815 -11.706 1.00 0.00 C ATOM 1389 C GLY A 96 4.595 -2.590 -10.932 1.00 0.00 C ATOM 1390 O GLY A 96 4.919 -1.468 -11.265 1.00 0.00 O ATOM 0 H GLY A 96 4.211 -5.377 -10.533 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.057 -4.108 -11.401 1.00 0.00 H new ATOM 0 HA3 GLY A 96 5.093 -3.600 -12.774 1.00 0.00 H new ATOM 1394 N ILE A 97 3.804 -2.806 -9.921 1.00 0.00 N ATOM 1395 CA ILE A 97 3.253 -1.666 -9.149 1.00 0.00 C ATOM 1396 C ILE A 97 4.260 -1.034 -8.204 1.00 0.00 C ATOM 1397 O ILE A 97 5.057 -1.694 -7.566 1.00 0.00 O ATOM 1398 CB ILE A 97 2.089 -2.255 -8.353 1.00 0.00 C ATOM 1399 CG1 ILE A 97 1.435 -1.146 -7.511 1.00 0.00 C ATOM 1400 CG2 ILE A 97 2.605 -3.379 -7.450 1.00 0.00 C ATOM 1401 CD1 ILE A 97 2.143 -1.004 -6.159 1.00 0.00 C ATOM 0 H ILE A 97 3.515 -3.729 -9.596 1.00 0.00 H new ATOM 0 HA ILE A 97 2.956 -0.864 -9.825 1.00 0.00 H new ATOM 0 HB ILE A 97 1.344 -2.667 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 97 1.477 -0.200 -8.051 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.381 -1.376 -7.353 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.775 -3.799 -6.882 1.00 0.00 H new ATOM 0 HG22 ILE A 97 3.058 -4.159 -8.062 1.00 0.00 H new ATOM 0 HG23 ILE A 97 3.350 -2.980 -6.762 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.665 -0.214 -5.579 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.078 -1.945 -5.613 1.00 0.00 H new ATOM 0 HD13 ILE A 97 3.191 -0.751 -6.322 1.00 0.00 H new ATOM 1413 N VAL A 98 4.185 0.261 -8.094 1.00 0.00 N ATOM 1414 CA VAL A 98 5.083 0.999 -7.173 1.00 0.00 C ATOM 1415 C VAL A 98 4.264 1.488 -5.978 1.00 0.00 C ATOM 1416 O VAL A 98 3.236 2.113 -6.141 1.00 0.00 O ATOM 1417 CB VAL A 98 5.589 2.191 -7.982 1.00 0.00 C ATOM 1418 CG1 VAL A 98 6.689 2.909 -7.199 1.00 0.00 C ATOM 1419 CG2 VAL A 98 6.149 1.705 -9.321 1.00 0.00 C ATOM 0 H VAL A 98 3.529 0.846 -8.612 1.00 0.00 H new ATOM 0 HA VAL A 98 5.904 0.388 -6.799 1.00 0.00 H new ATOM 0 HB VAL A 98 4.764 2.879 -8.165 1.00 0.00 H new ATOM 0 HG11 VAL A 98 7.050 3.760 -7.776 1.00 0.00 H new ATOM 0 HG12 VAL A 98 6.289 3.260 -6.248 1.00 0.00 H new ATOM 0 HG13 VAL A 98 7.513 2.220 -7.014 1.00 0.00 H new ATOM 0 HG21 VAL A 98 6.509 2.558 -9.896 1.00 0.00 H new ATOM 0 HG22 VAL A 98 6.973 1.014 -9.142 1.00 0.00 H new ATOM 0 HG23 VAL A 98 5.364 1.196 -9.880 1.00 0.00 H new ATOM 1429 N VAL A 99 4.703 1.225 -4.782 1.00 0.00 N ATOM 1430 CA VAL A 99 3.925 1.702 -3.601 1.00 0.00 C ATOM 1431 C VAL A 99 4.622 2.891 -3.012 1.00 0.00 C ATOM 1432 O VAL A 99 5.640 3.333 -3.490 1.00 0.00 O ATOM 1433 CB VAL A 99 3.968 0.599 -2.545 1.00 0.00 C ATOM 1434 CG1 VAL A 99 2.750 0.696 -1.626 1.00 0.00 C ATOM 1435 CG2 VAL A 99 3.989 -0.753 -3.200 1.00 0.00 C ATOM 0 H VAL A 99 5.556 0.707 -4.568 1.00 0.00 H new ATOM 0 HA VAL A 99 2.906 1.952 -3.895 1.00 0.00 H new ATOM 0 HB VAL A 99 4.876 0.727 -1.956 1.00 0.00 H new ATOM 0 HG11 VAL A 99 2.794 -0.096 -0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.747 1.665 -1.128 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.840 0.588 -2.216 1.00 0.00 H new ATOM 0 HG21 VAL A 99 4.020 -1.528 -2.434 1.00 0.00 H new ATOM 0 HG22 VAL A 99 3.092 -0.877 -3.806 1.00 0.00 H new ATOM 0 HG23 VAL A 99 4.871 -0.836 -3.835 1.00 0.00 H new ATOM 1445 N ASP A 100 4.108 3.369 -1.941 1.00 0.00 N ATOM 1446 CA ASP A 100 4.775 4.492 -1.264 1.00 0.00 C ATOM 1447 C ASP A 100 4.284 4.590 0.170 1.00 0.00 C ATOM 1448 O ASP A 100 3.108 4.471 0.444 1.00 0.00 O ATOM 1449 CB ASP A 100 4.414 5.769 -2.023 1.00 0.00 C ATOM 1450 CG ASP A 100 5.123 5.799 -3.379 1.00 0.00 C ATOM 1451 OD1 ASP A 100 6.253 6.256 -3.424 1.00 0.00 O ATOM 1452 OD2 ASP A 100 4.523 5.364 -4.348 1.00 0.00 O ATOM 0 H ASP A 100 3.252 3.034 -1.499 1.00 0.00 H new ATOM 0 HA ASP A 100 5.855 4.346 -1.251 1.00 0.00 H new ATOM 0 HB2 ASP A 100 3.335 5.821 -2.168 1.00 0.00 H new ATOM 0 HB3 ASP A 100 4.700 6.642 -1.436 1.00 0.00 H new ATOM 1457 N VAL A 101 5.164 4.831 1.079 1.00 0.00 N ATOM 1458 CA VAL A 101 4.715 4.966 2.495 1.00 0.00 C ATOM 1459 C VAL A 101 4.539 6.459 2.819 1.00 0.00 C ATOM 1460 O VAL A 101 5.498 7.202 2.886 1.00 0.00 O ATOM 1461 CB VAL A 101 5.807 4.320 3.350 1.00 0.00 C ATOM 1462 CG1 VAL A 101 5.605 4.704 4.818 1.00 0.00 C ATOM 1463 CG2 VAL A 101 5.722 2.792 3.213 1.00 0.00 C ATOM 0 H VAL A 101 6.165 4.941 0.919 1.00 0.00 H new ATOM 0 HA VAL A 101 3.759 4.479 2.686 1.00 0.00 H new ATOM 0 HB VAL A 101 6.783 4.668 3.013 1.00 0.00 H new ATOM 0 HG11 VAL A 101 6.384 4.243 5.425 1.00 0.00 H new ATOM 0 HG12 VAL A 101 5.658 5.788 4.921 1.00 0.00 H new ATOM 0 HG13 VAL A 101 4.629 4.355 5.154 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.499 2.328 3.821 1.00 0.00 H new ATOM 0 HG22 VAL A 101 4.744 2.450 3.552 1.00 0.00 H new ATOM 0 HG23 VAL A 101 5.863 2.512 2.169 1.00 0.00 H new ATOM 1473 N PRO A 102 3.298 6.845 2.966 1.00 0.00 N ATOM 1474 CA PRO A 102 2.940 8.269 3.237 1.00 0.00 C ATOM 1475 C PRO A 102 3.364 8.720 4.646 1.00 0.00 C ATOM 1476 O PRO A 102 2.762 8.340 5.631 1.00 0.00 O ATOM 1477 CB PRO A 102 1.415 8.264 3.146 1.00 0.00 C ATOM 1478 CG PRO A 102 1.020 6.860 3.450 1.00 0.00 C ATOM 1479 CD PRO A 102 2.112 5.990 2.902 1.00 0.00 C ATOM 0 HA PRO A 102 3.435 8.950 2.545 1.00 0.00 H new ATOM 0 HB2 PRO A 102 0.974 8.962 3.858 1.00 0.00 H new ATOM 0 HB3 PRO A 102 1.077 8.564 2.154 1.00 0.00 H new ATOM 0 HG2 PRO A 102 0.906 6.712 4.524 1.00 0.00 H new ATOM 0 HG3 PRO A 102 0.062 6.617 2.991 1.00 0.00 H new ATOM 0 HD2 PRO A 102 2.238 5.084 3.495 1.00 0.00 H new ATOM 0 HD3 PRO A 102 1.899 5.675 1.880 1.00 0.00 H new