USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 639 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 44 SER OG : rot -30:sc= 0.0852 USER MOD Set 1.2: A 45 SER OG : rot 88:sc= 1.14 USER MOD Set 2.1: A 31 HIS : no HD1:sc= -0.0752 X(o=-0.12,f=-0.1) USER MOD Set 2.2: A 32 SER OG : rot 180:sc= -0.0452 USER MOD Set 3.1: A 15 LYS NZ :NH3+ -166:sc= -0.0138 (180deg=-0.245) USER MOD Set 3.2: A 17 LYS NZ :NH3+ -120:sc= 0 (180deg=-0.103) USER MOD Set 4.1: A 13 HIS :FLIP no HD1:sc= -3.41! C(o=-9.6!,f=-8.2!) USER MOD Set 4.2: A 25 ASN : amide:sc= -4.81 K(o=-8.2,f=-14!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 164:sc= 1.32 (180deg=0.831) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -96:sc=0.000826 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 7 TYR OH : rot -9:sc= 0.967 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot -61:sc= 0.168 USER MOD Single : A 26 GLN : amide:sc= -0.192 K(o=-0.19,f=-1.9!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -114:sc= -0.36 (180deg=-1.7) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -10:sc= 0.01 USER MOD Single : A 41 HIS : no HD1:sc= -0.0449 X(o=-0.045,f=0) USER MOD Single : A 46 TYR OH : rot 165:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -0.328 X(o=-0.33,f=-0.71) USER MOD Single : A 53 TYR OH : rot 100:sc= -0.061 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 57 MET CE :methyl -155:sc= -0.538 (180deg=-2.38!) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=-0.0042) USER MOD Single : A 67 TYR OH : rot 25:sc= -0.0535 USER MOD Single : A 69 SER OG : rot -43:sc= 1.15 USER MOD Single : A 72 HIS : no HD1:sc=-0.000442 X(o=-0.00044,f=-0.00044) USER MOD Single : A 77 HIS : no HD1:sc= -1.11! C(o=-1.1!,f=-2.4!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0248 X(o=-0.025,f=0) USER MOD Single : A 79 HIS :FLIP no HD1:sc= -0.15 F(o=-1,f=-0.15) USER MOD Single : A 80 HIS : no HE2:sc= -0.41 K(o=-0.41,f=-2.6) USER MOD Single : A 81 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 82 HIS : no HD1:sc= -0.363 K(o=-0.36,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.974 10.301 5.230 1.00 0.00 N ATOM 2 CA MET A 1 -3.645 8.935 4.732 1.00 0.00 C ATOM 3 C MET A 1 -4.924 8.251 4.257 1.00 0.00 C ATOM 4 O MET A 1 -5.719 7.769 5.066 1.00 0.00 O ATOM 5 CB MET A 1 -3.002 8.122 5.862 1.00 0.00 C ATOM 6 CG MET A 1 -1.554 8.578 6.066 1.00 0.00 C ATOM 7 SD MET A 1 -1.537 10.172 6.925 1.00 0.00 S ATOM 8 CE MET A 1 -0.022 9.906 7.878 1.00 0.00 C ATOM 0 H1 MET A 1 -3.180 10.665 5.795 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.143 10.934 4.422 1.00 0.00 H new ATOM 0 H3 MET A 1 -4.829 10.259 5.821 1.00 0.00 H new ATOM 0 HA MET A 1 -2.945 9.003 3.900 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.568 8.252 6.784 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.028 7.060 5.619 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.006 7.835 6.645 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.050 8.666 5.103 1.00 0.00 H new ATOM 0 HE1 MET A 1 0.181 10.784 8.491 1.00 0.00 H new ATOM 0 HE2 MET A 1 -0.145 9.035 8.521 1.00 0.00 H new ATOM 0 HE3 MET A 1 0.812 9.739 7.196 1.00 0.00 H new ATOM 20 N LYS A 2 -5.118 8.214 2.940 1.00 0.00 N ATOM 21 CA LYS A 2 -6.306 7.589 2.368 1.00 0.00 C ATOM 22 C LYS A 2 -6.062 6.103 2.111 1.00 0.00 C ATOM 23 O LYS A 2 -5.342 5.742 1.181 1.00 0.00 O ATOM 24 CB LYS A 2 -6.697 8.293 1.060 1.00 0.00 C ATOM 25 CG LYS A 2 -5.569 8.164 0.026 1.00 0.00 C ATOM 26 CD LYS A 2 -5.430 9.473 -0.758 1.00 0.00 C ATOM 27 CE LYS A 2 -6.710 9.732 -1.560 1.00 0.00 C ATOM 28 NZ LYS A 2 -6.387 10.546 -2.766 1.00 0.00 N ATOM 0 H LYS A 2 -4.473 8.607 2.255 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.124 7.687 3.082 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.614 7.856 0.664 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.903 9.346 1.253 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.630 7.928 0.527 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.782 7.341 -0.657 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.244 10.301 -0.073 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -4.573 9.417 -1.430 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -7.163 8.786 -1.858 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -7.440 10.254 -0.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -7.256 10.721 -3.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -5.974 11.454 -2.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -5.705 10.032 -3.360 1.00 0.00 H new ATOM 42 N SER A 3 -6.679 5.260 2.951 1.00 0.00 N ATOM 43 CA SER A 3 -6.563 3.797 2.851 1.00 0.00 C ATOM 44 C SER A 3 -5.524 3.360 1.820 1.00 0.00 C ATOM 45 O SER A 3 -5.775 3.408 0.613 1.00 0.00 O ATOM 46 CB SER A 3 -7.922 3.200 2.483 1.00 0.00 C ATOM 47 OG SER A 3 -8.785 3.258 3.611 1.00 0.00 O ATOM 0 H SER A 3 -7.273 5.573 3.719 1.00 0.00 H new ATOM 0 HA SER A 3 -6.233 3.432 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.359 3.749 1.649 1.00 0.00 H new ATOM 0 HB3 SER A 3 -7.801 2.167 2.157 1.00 0.00 H new ATOM 0 HG SER A 3 -8.764 2.400 4.083 1.00 0.00 H new ATOM 53 N PHE A 4 -4.360 2.925 2.303 1.00 0.00 N ATOM 54 CA PHE A 4 -3.288 2.474 1.417 1.00 0.00 C ATOM 55 C PHE A 4 -3.827 1.486 0.384 1.00 0.00 C ATOM 56 O PHE A 4 -3.343 1.432 -0.747 1.00 0.00 O ATOM 57 CB PHE A 4 -2.175 1.810 2.237 1.00 0.00 C ATOM 58 CG PHE A 4 -1.067 1.353 1.315 1.00 0.00 C ATOM 59 CD1 PHE A 4 -0.061 2.249 0.930 1.00 0.00 C ATOM 60 CD2 PHE A 4 -1.048 0.033 0.844 1.00 0.00 C ATOM 61 CE1 PHE A 4 0.964 1.826 0.075 1.00 0.00 C ATOM 62 CE2 PHE A 4 -0.022 -0.389 -0.010 1.00 0.00 C ATOM 63 CZ PHE A 4 0.982 0.507 -0.395 1.00 0.00 C ATOM 0 H PHE A 4 -4.137 2.876 3.297 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.883 3.341 0.895 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.783 2.513 2.972 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.575 0.960 2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -0.076 3.266 1.293 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.824 -0.658 1.140 1.00 0.00 H new ATOM 0 HE1 PHE A 4 1.740 2.516 -0.222 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -0.005 -1.406 -0.372 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.772 0.181 -1.055 1.00 0.00 H new ATOM 73 N TYR A 5 -4.836 0.712 0.782 1.00 0.00 N ATOM 74 CA TYR A 5 -5.441 -0.264 -0.118 1.00 0.00 C ATOM 75 C TYR A 5 -6.140 0.444 -1.275 1.00 0.00 C ATOM 76 O TYR A 5 -6.001 0.047 -2.433 1.00 0.00 O ATOM 77 CB TYR A 5 -6.451 -1.128 0.642 1.00 0.00 C ATOM 78 CG TYR A 5 -6.926 -2.256 -0.247 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.151 -3.414 -0.383 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.138 -2.140 -0.939 1.00 0.00 C ATOM 81 CE1 TYR A 5 -6.589 -4.456 -1.210 1.00 0.00 C ATOM 82 CE2 TYR A 5 -8.576 -3.182 -1.766 1.00 0.00 C ATOM 83 CZ TYR A 5 -7.802 -4.340 -1.900 1.00 0.00 C ATOM 84 OH TYR A 5 -8.232 -5.368 -2.716 1.00 0.00 O ATOM 0 H TYR A 5 -5.248 0.742 1.715 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.652 -0.902 -0.516 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.993 -1.532 1.545 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.298 -0.520 0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.216 -3.504 0.150 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.735 -1.246 -0.835 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -5.991 -5.349 -1.316 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -9.510 -3.092 -2.300 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.092 -5.128 -3.119 1.00 0.00 H new ATOM 94 N HIS A 6 -6.891 1.495 -0.952 1.00 0.00 N ATOM 95 CA HIS A 6 -7.607 2.254 -1.974 1.00 0.00 C ATOM 96 C HIS A 6 -6.627 2.988 -2.876 1.00 0.00 C ATOM 97 O HIS A 6 -6.846 3.098 -4.081 1.00 0.00 O ATOM 98 CB HIS A 6 -8.543 3.268 -1.333 1.00 0.00 C ATOM 99 CG HIS A 6 -9.524 2.569 -0.429 1.00 0.00 C ATOM 100 ND1 HIS A 6 -9.497 1.198 -0.222 1.00 0.00 N ATOM 101 CD2 HIS A 6 -10.569 3.041 0.327 1.00 0.00 C ATOM 102 CE1 HIS A 6 -10.497 0.895 0.626 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.182 1.982 0.991 1.00 0.00 N ATOM 0 H HIS A 6 -7.019 1.838 0.000 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.190 1.548 -2.566 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.967 3.997 -0.763 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.078 3.820 -2.106 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.869 4.076 0.396 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -10.719 -0.105 0.969 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.983 2.027 1.621 1.00 0.00 H new ATOM 112 N TYR A 7 -5.534 3.478 -2.301 1.00 0.00 N ATOM 113 CA TYR A 7 -4.541 4.165 -3.107 1.00 0.00 C ATOM 114 C TYR A 7 -4.108 3.208 -4.204 1.00 0.00 C ATOM 115 O TYR A 7 -4.091 3.552 -5.387 1.00 0.00 O ATOM 116 CB TYR A 7 -3.337 4.568 -2.248 1.00 0.00 C ATOM 117 CG TYR A 7 -2.262 5.163 -3.131 1.00 0.00 C ATOM 118 CD1 TYR A 7 -2.265 6.536 -3.411 1.00 0.00 C ATOM 119 CD2 TYR A 7 -1.265 4.342 -3.672 1.00 0.00 C ATOM 120 CE1 TYR A 7 -1.272 7.085 -4.230 1.00 0.00 C ATOM 121 CE2 TYR A 7 -0.273 4.892 -4.493 1.00 0.00 C ATOM 122 CZ TYR A 7 -0.276 6.263 -4.772 1.00 0.00 C ATOM 123 OH TYR A 7 0.701 6.805 -5.581 1.00 0.00 O ATOM 0 H TYR A 7 -5.319 3.414 -1.306 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.960 5.076 -3.533 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.642 5.291 -1.492 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.947 3.698 -1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.034 7.170 -2.995 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.261 3.284 -3.456 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.274 8.144 -4.444 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.495 4.258 -4.911 1.00 0.00 H new ATOM 0 HH TYR A 7 0.473 7.735 -5.791 1.00 0.00 H new ATOM 133 N LEU A 8 -3.797 1.987 -3.783 1.00 0.00 N ATOM 134 CA LEU A 8 -3.402 0.933 -4.702 1.00 0.00 C ATOM 135 C LEU A 8 -4.517 0.640 -5.708 1.00 0.00 C ATOM 136 O LEU A 8 -4.243 0.207 -6.828 1.00 0.00 O ATOM 137 CB LEU A 8 -3.070 -0.343 -3.920 1.00 0.00 C ATOM 138 CG LEU A 8 -1.982 -1.134 -4.656 1.00 0.00 C ATOM 139 CD1 LEU A 8 -0.621 -0.462 -4.446 1.00 0.00 C ATOM 140 CD2 LEU A 8 -1.934 -2.563 -4.106 1.00 0.00 C ATOM 0 H LEU A 8 -3.812 1.704 -2.803 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.520 1.269 -5.248 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -2.731 -0.088 -2.916 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.965 -0.955 -3.808 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.211 -1.158 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.149 -1.028 -4.971 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -0.653 0.555 -4.836 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.389 -0.435 -3.381 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.161 -3.128 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.706 -2.535 -3.040 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.900 -3.044 -4.258 1.00 0.00 H new ATOM 152 N LEU A 9 -5.780 0.863 -5.308 1.00 0.00 N ATOM 153 CA LEU A 9 -6.901 0.593 -6.209 1.00 0.00 C ATOM 154 C LEU A 9 -6.773 1.407 -7.493 1.00 0.00 C ATOM 155 O LEU A 9 -7.326 1.035 -8.529 1.00 0.00 O ATOM 156 CB LEU A 9 -8.246 0.884 -5.530 1.00 0.00 C ATOM 157 CG LEU A 9 -8.789 -0.400 -4.891 1.00 0.00 C ATOM 158 CD1 LEU A 9 -10.073 -0.087 -4.116 1.00 0.00 C ATOM 159 CD2 LEU A 9 -9.093 -1.433 -5.984 1.00 0.00 C ATOM 0 H LEU A 9 -6.042 1.221 -4.389 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.870 -0.467 -6.462 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.122 1.656 -4.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.958 1.268 -6.261 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.041 -0.804 -4.208 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.457 -1.001 -3.663 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.858 0.642 -3.335 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.819 0.321 -4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.479 -2.344 -5.526 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.837 -1.028 -6.670 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -8.179 -1.661 -6.533 1.00 0.00 H new ATOM 171 N LYS A 10 -6.035 2.512 -7.423 1.00 0.00 N ATOM 172 CA LYS A 10 -5.835 3.362 -8.594 1.00 0.00 C ATOM 173 C LYS A 10 -5.019 2.605 -9.641 1.00 0.00 C ATOM 174 O LYS A 10 -5.066 2.918 -10.832 1.00 0.00 O ATOM 175 CB LYS A 10 -5.102 4.643 -8.177 1.00 0.00 C ATOM 176 CG LYS A 10 -4.788 5.497 -9.411 1.00 0.00 C ATOM 177 CD LYS A 10 -4.177 6.833 -8.972 1.00 0.00 C ATOM 178 CE LYS A 10 -2.843 6.583 -8.260 1.00 0.00 C ATOM 179 NZ LYS A 10 -1.903 7.703 -8.554 1.00 0.00 N ATOM 0 H LYS A 10 -5.569 2.838 -6.576 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.801 3.629 -9.023 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.716 5.212 -7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.179 4.390 -7.656 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.096 4.967 -10.066 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.698 5.673 -9.985 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -4.023 7.475 -9.839 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -4.863 7.356 -8.306 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -3.003 6.501 -7.185 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.414 5.638 -8.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -0.998 7.533 -8.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -1.742 7.761 -9.580 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -2.313 8.598 -8.217 1.00 0.00 H new ATOM 193 N TYR A 11 -4.300 1.585 -9.181 1.00 0.00 N ATOM 194 CA TYR A 11 -3.498 0.749 -10.057 1.00 0.00 C ATOM 195 C TYR A 11 -4.288 -0.506 -10.404 1.00 0.00 C ATOM 196 O TYR A 11 -3.769 -1.620 -10.352 1.00 0.00 O ATOM 197 CB TYR A 11 -2.182 0.374 -9.365 1.00 0.00 C ATOM 198 CG TYR A 11 -1.187 1.501 -9.524 1.00 0.00 C ATOM 199 CD1 TYR A 11 -0.626 1.771 -10.779 1.00 0.00 C ATOM 200 CD2 TYR A 11 -0.829 2.278 -8.415 1.00 0.00 C ATOM 201 CE1 TYR A 11 0.293 2.818 -10.923 1.00 0.00 C ATOM 202 CE2 TYR A 11 0.090 3.324 -8.561 1.00 0.00 C ATOM 203 CZ TYR A 11 0.651 3.593 -9.815 1.00 0.00 C ATOM 204 OH TYR A 11 1.556 4.625 -9.957 1.00 0.00 O ATOM 0 H TYR A 11 -4.259 1.319 -8.197 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.263 1.294 -10.971 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.358 0.178 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.781 -0.543 -9.797 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -0.902 1.172 -11.635 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.262 2.070 -7.448 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.726 3.027 -11.890 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.366 3.923 -7.706 1.00 0.00 H new ATOM 0 HH TYR A 11 1.692 5.062 -9.091 1.00 0.00 H new ATOM 214 N ARG A 12 -5.561 -0.297 -10.734 1.00 0.00 N ATOM 215 CA ARG A 12 -6.472 -1.394 -11.077 1.00 0.00 C ATOM 216 C ARG A 12 -5.746 -2.516 -11.823 1.00 0.00 C ATOM 217 O ARG A 12 -4.792 -2.272 -12.565 1.00 0.00 O ATOM 218 CB ARG A 12 -7.621 -0.859 -11.943 1.00 0.00 C ATOM 219 CG ARG A 12 -8.963 -1.385 -11.413 1.00 0.00 C ATOM 220 CD ARG A 12 -9.435 -0.521 -10.240 1.00 0.00 C ATOM 221 NE ARG A 12 -9.526 0.880 -10.642 1.00 0.00 N ATOM 222 CZ ARG A 12 -9.941 1.819 -9.795 1.00 0.00 C ATOM 223 NH1 ARG A 12 -10.283 1.498 -8.576 1.00 0.00 N ATOM 224 NH2 ARG A 12 -10.007 3.063 -10.182 1.00 0.00 N ATOM 0 H ARG A 12 -5.990 0.628 -10.772 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.866 -1.807 -10.148 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.618 0.231 -11.933 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.482 -1.169 -12.979 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.708 -1.372 -12.208 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -8.856 -2.421 -11.093 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -10.407 -0.870 -9.892 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.742 -0.622 -9.404 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.266 1.145 -11.592 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.232 0.526 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -10.601 2.219 -7.929 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -9.741 3.316 -11.134 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.325 3.783 -9.533 1.00 0.00 H new ATOM 238 N HIS A 13 -6.204 -3.747 -11.607 1.00 0.00 N ATOM 239 CA HIS A 13 -5.594 -4.912 -12.238 1.00 0.00 C ATOM 240 C HIS A 13 -5.808 -4.910 -13.755 1.00 0.00 C ATOM 241 O HIS A 13 -4.892 -5.243 -14.506 1.00 0.00 O ATOM 242 CB HIS A 13 -6.163 -6.198 -11.605 1.00 0.00 C ATOM 243 CG HIS A 13 -6.912 -7.026 -12.625 1.00 0.00 C ATOM 244 ND1 HIS A 13 -6.492 -7.725 -13.731 1.00 0.00 N flip ATOM 245 CD2 HIS A 13 -8.284 -7.213 -12.561 1.00 0.00 C flip ATOM 246 CE1 HIS A 13 -7.583 -8.336 -14.342 1.00 0.00 C flip ATOM 247 NE2 HIS A 13 -8.636 -7.995 -13.597 1.00 0.00 N flip ATOM 0 H HIS A 13 -6.995 -3.962 -11.000 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.518 -4.873 -12.067 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.350 -6.788 -11.180 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.831 -5.937 -10.784 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.949 -6.805 -11.815 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -7.578 -8.953 -15.228 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -9.593 -8.292 -13.790 1.00 0.00 H new ATOM 256 N PRO A 14 -6.983 -4.555 -14.220 1.00 0.00 N ATOM 257 CA PRO A 14 -7.290 -4.531 -15.680 1.00 0.00 C ATOM 258 C PRO A 14 -6.174 -3.888 -16.504 1.00 0.00 C ATOM 259 O PRO A 14 -6.068 -2.663 -16.581 1.00 0.00 O ATOM 260 CB PRO A 14 -8.583 -3.717 -15.761 1.00 0.00 C ATOM 261 CG PRO A 14 -9.259 -3.938 -14.450 1.00 0.00 C ATOM 262 CD PRO A 14 -8.148 -4.138 -13.416 1.00 0.00 C ATOM 0 HA PRO A 14 -7.387 -5.535 -16.094 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.375 -2.660 -15.925 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.208 -4.050 -16.589 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -9.884 -3.085 -14.187 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -9.911 -4.810 -14.492 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -7.945 -3.219 -12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.418 -4.897 -12.681 1.00 0.00 H new ATOM 270 N LYS A 15 -5.348 -4.735 -17.120 1.00 0.00 N ATOM 271 CA LYS A 15 -4.239 -4.271 -17.951 1.00 0.00 C ATOM 272 C LYS A 15 -3.120 -3.653 -17.105 1.00 0.00 C ATOM 273 O LYS A 15 -2.962 -2.432 -17.067 1.00 0.00 O ATOM 274 CB LYS A 15 -4.739 -3.246 -18.978 1.00 0.00 C ATOM 275 CG LYS A 15 -3.761 -3.178 -20.156 1.00 0.00 C ATOM 276 CD LYS A 15 -3.846 -1.800 -20.820 1.00 0.00 C ATOM 277 CE LYS A 15 -2.971 -1.781 -22.075 1.00 0.00 C ATOM 278 NZ LYS A 15 -1.538 -1.911 -21.685 1.00 0.00 N ATOM 0 H LYS A 15 -5.428 -5.750 -17.058 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.831 -5.138 -18.470 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.731 -3.525 -19.332 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.831 -2.265 -18.512 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.745 -3.362 -19.808 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.996 -3.957 -20.881 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.880 -1.574 -21.082 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.518 -1.029 -20.124 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.253 -2.597 -22.740 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.126 -0.853 -22.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -0.934 -1.663 -22.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.334 -1.270 -20.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -1.344 -2.891 -21.396 1.00 0.00 H new ATOM 292 N PRO A 16 -2.331 -4.472 -16.451 1.00 0.00 N ATOM 293 CA PRO A 16 -1.190 -3.992 -15.619 1.00 0.00 C ATOM 294 C PRO A 16 -0.006 -3.573 -16.492 1.00 0.00 C ATOM 295 O PRO A 16 0.480 -4.358 -17.307 1.00 0.00 O ATOM 296 CB PRO A 16 -0.842 -5.202 -14.752 1.00 0.00 C ATOM 297 CG PRO A 16 -1.280 -6.394 -15.541 1.00 0.00 C ATOM 298 CD PRO A 16 -2.441 -5.941 -16.431 1.00 0.00 C ATOM 0 HA PRO A 16 -1.439 -3.110 -15.029 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.227 -5.241 -14.542 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.354 -5.157 -13.791 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.459 -6.779 -16.145 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.594 -7.201 -14.879 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.360 -6.360 -17.434 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.401 -6.263 -16.027 1.00 0.00 H new ATOM 306 N LYS A 17 0.433 -2.326 -16.336 1.00 0.00 N ATOM 307 CA LYS A 17 1.539 -1.805 -17.136 1.00 0.00 C ATOM 308 C LYS A 17 2.891 -2.011 -16.452 1.00 0.00 C ATOM 309 O LYS A 17 3.635 -2.929 -16.797 1.00 0.00 O ATOM 310 CB LYS A 17 1.319 -0.312 -17.404 1.00 0.00 C ATOM 311 CG LYS A 17 0.018 -0.123 -18.189 1.00 0.00 C ATOM 312 CD LYS A 17 -0.377 1.357 -18.179 1.00 0.00 C ATOM 313 CE LYS A 17 -1.669 1.546 -18.979 1.00 0.00 C ATOM 314 NZ LYS A 17 -1.374 1.438 -20.436 1.00 0.00 N ATOM 0 H LYS A 17 0.043 -1.661 -15.668 1.00 0.00 H new ATOM 0 HA LYS A 17 1.558 -2.358 -18.075 1.00 0.00 H new ATOM 0 HB2 LYS A 17 1.271 0.235 -16.462 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.159 0.095 -17.967 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.147 -0.469 -19.215 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.776 -0.725 -17.747 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -0.518 1.700 -17.154 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.422 1.961 -18.610 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.402 0.793 -18.689 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.107 2.519 -18.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -1.636 2.326 -20.910 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -0.359 1.259 -20.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -1.922 0.653 -20.844 1.00 0.00 H new ATOM 328 N ASP A 18 3.212 -1.134 -15.502 1.00 0.00 N ATOM 329 CA ASP A 18 4.492 -1.208 -14.796 1.00 0.00 C ATOM 330 C ASP A 18 4.468 -2.255 -13.687 1.00 0.00 C ATOM 331 O ASP A 18 3.415 -2.786 -13.335 1.00 0.00 O ATOM 332 CB ASP A 18 4.832 0.159 -14.198 1.00 0.00 C ATOM 333 CG ASP A 18 4.931 1.205 -15.305 1.00 0.00 C ATOM 334 OD1 ASP A 18 5.938 1.217 -15.993 1.00 0.00 O ATOM 335 OD2 ASP A 18 3.999 1.980 -15.447 1.00 0.00 O ATOM 0 H ASP A 18 2.608 -0.368 -15.204 1.00 0.00 H new ATOM 0 HA ASP A 18 5.253 -1.501 -15.520 1.00 0.00 H new ATOM 0 HB2 ASP A 18 4.067 0.451 -13.479 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.775 0.103 -13.655 1.00 0.00 H new ATOM 340 N SER A 19 5.651 -2.541 -13.142 1.00 0.00 N ATOM 341 CA SER A 19 5.790 -3.519 -12.069 1.00 0.00 C ATOM 342 C SER A 19 4.857 -3.191 -10.907 1.00 0.00 C ATOM 343 O SER A 19 4.255 -4.086 -10.312 1.00 0.00 O ATOM 344 CB SER A 19 7.238 -3.538 -11.577 1.00 0.00 C ATOM 345 OG SER A 19 8.003 -4.406 -12.404 1.00 0.00 O ATOM 0 H SER A 19 6.528 -2.106 -13.429 1.00 0.00 H new ATOM 0 HA SER A 19 5.520 -4.500 -12.460 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.656 -2.532 -11.601 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.278 -3.875 -10.541 1.00 0.00 H new ATOM 0 HG SER A 19 8.932 -4.420 -12.093 1.00 0.00 H new ATOM 351 N ILE A 20 4.740 -1.901 -10.589 1.00 0.00 N ATOM 352 CA ILE A 20 3.876 -1.468 -9.495 1.00 0.00 C ATOM 353 C ILE A 20 2.433 -1.886 -9.764 1.00 0.00 C ATOM 354 O ILE A 20 1.730 -2.341 -8.859 1.00 0.00 O ATOM 355 CB ILE A 20 3.963 0.057 -9.327 1.00 0.00 C ATOM 356 CG1 ILE A 20 3.428 0.454 -7.945 1.00 0.00 C ATOM 357 CG2 ILE A 20 3.136 0.753 -10.414 1.00 0.00 C ATOM 358 CD1 ILE A 20 3.815 1.904 -7.639 1.00 0.00 C ATOM 0 H ILE A 20 5.229 -1.146 -11.070 1.00 0.00 H new ATOM 0 HA ILE A 20 4.211 -1.944 -8.574 1.00 0.00 H new ATOM 0 HB ILE A 20 5.005 0.365 -9.418 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.344 0.343 -7.918 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.835 -0.210 -7.182 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.204 1.833 -10.287 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.521 0.478 -11.396 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.094 0.443 -10.333 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.433 2.183 -6.657 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.901 2.000 -7.647 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.387 2.562 -8.395 1.00 0.00 H new ATOM 370 N SER A 21 2.001 -1.738 -11.015 1.00 0.00 N ATOM 371 CA SER A 21 0.644 -2.112 -11.394 1.00 0.00 C ATOM 372 C SER A 21 0.452 -3.617 -11.231 1.00 0.00 C ATOM 373 O SER A 21 -0.587 -4.067 -10.753 1.00 0.00 O ATOM 374 CB SER A 21 0.368 -1.703 -12.843 1.00 0.00 C ATOM 375 OG SER A 21 0.872 -2.700 -13.724 1.00 0.00 O ATOM 0 H SER A 21 2.567 -1.365 -11.777 1.00 0.00 H new ATOM 0 HA SER A 21 -0.058 -1.592 -10.742 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.703 -1.575 -12.998 1.00 0.00 H new ATOM 0 HB3 SER A 21 0.838 -0.743 -13.057 1.00 0.00 H new ATOM 0 HG SER A 21 1.841 -2.783 -13.604 1.00 0.00 H new ATOM 381 N GLU A 22 1.469 -4.384 -11.625 1.00 0.00 N ATOM 382 CA GLU A 22 1.409 -5.840 -11.516 1.00 0.00 C ATOM 383 C GLU A 22 1.179 -6.244 -10.066 1.00 0.00 C ATOM 384 O GLU A 22 0.387 -7.144 -9.777 1.00 0.00 O ATOM 385 CB GLU A 22 2.715 -6.464 -12.018 1.00 0.00 C ATOM 386 CG GLU A 22 3.006 -5.987 -13.448 1.00 0.00 C ATOM 387 CD GLU A 22 2.724 -7.107 -14.447 1.00 0.00 C ATOM 388 OE1 GLU A 22 3.352 -8.149 -14.336 1.00 0.00 O ATOM 389 OE2 GLU A 22 1.889 -6.906 -15.312 1.00 0.00 O ATOM 0 H GLU A 22 2.338 -4.024 -12.020 1.00 0.00 H new ATOM 0 HA GLU A 22 0.582 -6.200 -12.128 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.538 -6.187 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.641 -7.551 -11.996 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.390 -5.118 -13.681 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.046 -5.671 -13.529 1.00 0.00 H new ATOM 396 N PHE A 23 1.864 -5.557 -9.155 1.00 0.00 N ATOM 397 CA PHE A 23 1.714 -5.836 -7.736 1.00 0.00 C ATOM 398 C PHE A 23 0.265 -5.603 -7.327 1.00 0.00 C ATOM 399 O PHE A 23 -0.298 -6.358 -6.536 1.00 0.00 O ATOM 400 CB PHE A 23 2.636 -4.925 -6.922 1.00 0.00 C ATOM 401 CG PHE A 23 2.598 -5.330 -5.465 1.00 0.00 C ATOM 402 CD1 PHE A 23 1.621 -4.795 -4.615 1.00 0.00 C ATOM 403 CD2 PHE A 23 3.539 -6.238 -4.964 1.00 0.00 C ATOM 404 CE1 PHE A 23 1.586 -5.169 -3.266 1.00 0.00 C ATOM 405 CE2 PHE A 23 3.503 -6.611 -3.616 1.00 0.00 C ATOM 406 CZ PHE A 23 2.527 -6.076 -2.766 1.00 0.00 C ATOM 0 H PHE A 23 2.522 -4.810 -9.375 1.00 0.00 H new ATOM 0 HA PHE A 23 1.985 -6.874 -7.542 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.656 -4.991 -7.301 1.00 0.00 H new ATOM 0 HB3 PHE A 23 2.323 -3.886 -7.029 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.895 -4.094 -5.000 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.293 -6.650 -5.618 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.832 -4.757 -2.611 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.228 -7.312 -3.231 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.501 -6.363 -1.725 1.00 0.00 H new ATOM 416 N ALA A 24 -0.333 -4.553 -7.890 1.00 0.00 N ATOM 417 CA ALA A 24 -1.722 -4.221 -7.599 1.00 0.00 C ATOM 418 C ALA A 24 -2.623 -5.427 -7.859 1.00 0.00 C ATOM 419 O ALA A 24 -3.472 -5.763 -7.031 1.00 0.00 O ATOM 420 CB ALA A 24 -2.173 -3.044 -8.468 1.00 0.00 C ATOM 0 H ALA A 24 0.124 -3.921 -8.548 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.799 -3.942 -6.548 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.212 -2.803 -8.244 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.546 -2.177 -8.260 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.082 -3.313 -9.520 1.00 0.00 H new ATOM 426 N ASN A 25 -2.431 -6.076 -9.010 1.00 0.00 N ATOM 427 CA ASN A 25 -3.237 -7.247 -9.358 1.00 0.00 C ATOM 428 C ASN A 25 -3.121 -8.309 -8.271 1.00 0.00 C ATOM 429 O ASN A 25 -4.125 -8.848 -7.803 1.00 0.00 O ATOM 430 CB ASN A 25 -2.778 -7.848 -10.694 1.00 0.00 C ATOM 431 CG ASN A 25 -2.718 -6.774 -11.775 1.00 0.00 C ATOM 432 OD1 ASN A 25 -1.928 -5.841 -11.676 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.508 -6.851 -12.812 1.00 0.00 N ATOM 0 H ASN A 25 -1.734 -5.815 -9.708 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.274 -6.924 -9.448 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.796 -8.306 -10.574 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.464 -8.639 -10.998 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.468 -6.136 -13.538 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.165 -7.626 -12.896 1.00 0.00 H new ATOM 440 N GLN A 26 -1.884 -8.607 -7.876 1.00 0.00 N ATOM 441 CA GLN A 26 -1.637 -9.608 -6.842 1.00 0.00 C ATOM 442 C GLN A 26 -2.240 -9.167 -5.511 1.00 0.00 C ATOM 443 O GLN A 26 -2.875 -9.959 -4.813 1.00 0.00 O ATOM 444 CB GLN A 26 -0.129 -9.826 -6.680 1.00 0.00 C ATOM 445 CG GLN A 26 0.137 -11.258 -6.204 1.00 0.00 C ATOM 446 CD GLN A 26 -0.149 -12.253 -7.328 1.00 0.00 C ATOM 447 OE1 GLN A 26 -0.279 -11.865 -8.489 1.00 0.00 O ATOM 448 NE2 GLN A 26 -0.256 -13.523 -7.048 1.00 0.00 N ATOM 0 H GLN A 26 -1.043 -8.172 -8.254 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.109 -10.543 -7.145 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.378 -9.647 -7.628 1.00 0.00 H new ATOM 0 HB3 GLN A 26 0.276 -9.113 -5.962 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.173 -11.354 -5.879 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.490 -11.484 -5.341 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.148 -13.844 -6.086 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.447 -14.195 -7.791 1.00 0.00 H new ATOM 457 N ALA A 27 -2.036 -7.897 -5.170 1.00 0.00 N ATOM 458 CA ALA A 27 -2.558 -7.347 -3.922 1.00 0.00 C ATOM 459 C ALA A 27 -4.074 -7.513 -3.845 1.00 0.00 C ATOM 460 O ALA A 27 -4.636 -7.661 -2.759 1.00 0.00 O ATOM 461 CB ALA A 27 -2.201 -5.864 -3.819 1.00 0.00 C ATOM 0 H ALA A 27 -1.514 -7.231 -5.739 1.00 0.00 H new ATOM 0 HA ALA A 27 -2.106 -7.892 -3.093 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -2.593 -5.459 -2.886 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.117 -5.748 -3.838 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -2.638 -5.325 -4.660 1.00 0.00 H new ATOM 467 N TYR A 28 -4.729 -7.490 -5.003 1.00 0.00 N ATOM 468 CA TYR A 28 -6.178 -7.643 -5.054 1.00 0.00 C ATOM 469 C TYR A 28 -6.593 -8.990 -4.460 1.00 0.00 C ATOM 470 O TYR A 28 -7.578 -9.079 -3.726 1.00 0.00 O ATOM 471 CB TYR A 28 -6.666 -7.550 -6.504 1.00 0.00 C ATOM 472 CG TYR A 28 -8.139 -7.206 -6.524 1.00 0.00 C ATOM 473 CD1 TYR A 28 -9.095 -8.209 -6.320 1.00 0.00 C ATOM 474 CD2 TYR A 28 -8.549 -5.884 -6.744 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.459 -7.891 -6.336 1.00 0.00 C ATOM 476 CE2 TYR A 28 -9.913 -5.567 -6.758 1.00 0.00 C ATOM 477 CZ TYR A 28 -10.867 -6.570 -6.555 1.00 0.00 C ATOM 478 OH TYR A 28 -12.212 -6.258 -6.569 1.00 0.00 O ATOM 0 H TYR A 28 -4.282 -7.368 -5.912 1.00 0.00 H new ATOM 0 HA TYR A 28 -6.630 -6.842 -4.469 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.098 -6.791 -7.041 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.497 -8.497 -7.017 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.780 -9.228 -6.150 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.813 -5.110 -6.903 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.196 -8.665 -6.179 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -10.229 -4.548 -6.926 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.323 -5.298 -6.732 1.00 0.00 H new ATOM 488 N GLU A 29 -5.835 -10.033 -4.792 1.00 0.00 N ATOM 489 CA GLU A 29 -6.124 -11.376 -4.303 1.00 0.00 C ATOM 490 C GLU A 29 -5.466 -11.629 -2.945 1.00 0.00 C ATOM 491 O GLU A 29 -4.987 -12.732 -2.675 1.00 0.00 O ATOM 492 CB GLU A 29 -5.620 -12.407 -5.316 1.00 0.00 C ATOM 493 CG GLU A 29 -5.795 -11.869 -6.740 1.00 0.00 C ATOM 494 CD GLU A 29 -5.827 -13.027 -7.736 1.00 0.00 C ATOM 495 OE1 GLU A 29 -4.905 -13.826 -7.718 1.00 0.00 O ATOM 496 OE2 GLU A 29 -6.774 -13.097 -8.503 1.00 0.00 O ATOM 0 H GLU A 29 -5.017 -9.972 -5.398 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.203 -11.469 -4.180 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -4.570 -12.630 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.170 -13.341 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.718 -11.293 -6.809 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.977 -11.191 -6.984 1.00 0.00 H new ATOM 503 N ASP A 30 -5.449 -10.608 -2.091 1.00 0.00 N ATOM 504 CA ASP A 30 -4.850 -10.746 -0.764 1.00 0.00 C ATOM 505 C ASP A 30 -5.814 -11.455 0.184 1.00 0.00 C ATOM 506 O ASP A 30 -7.026 -11.460 -0.037 1.00 0.00 O ATOM 507 CB ASP A 30 -4.496 -9.368 -0.198 1.00 0.00 C ATOM 508 CG ASP A 30 -3.650 -9.523 1.064 1.00 0.00 C ATOM 509 OD1 ASP A 30 -4.227 -9.633 2.134 1.00 0.00 O ATOM 510 OD2 ASP A 30 -2.434 -9.532 0.942 1.00 0.00 O ATOM 0 H ASP A 30 -5.838 -9.686 -2.290 1.00 0.00 H new ATOM 0 HA ASP A 30 -3.941 -11.341 -0.857 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.950 -8.789 -0.943 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.407 -8.815 0.031 1.00 0.00 H new ATOM 515 N HIS A 31 -5.266 -12.052 1.240 1.00 0.00 N ATOM 516 CA HIS A 31 -6.079 -12.764 2.220 1.00 0.00 C ATOM 517 C HIS A 31 -7.054 -11.811 2.912 1.00 0.00 C ATOM 518 O HIS A 31 -8.245 -11.795 2.597 1.00 0.00 O ATOM 519 CB HIS A 31 -5.171 -13.426 3.262 1.00 0.00 C ATOM 520 CG HIS A 31 -6.007 -14.025 4.363 1.00 0.00 C ATOM 521 ND1 HIS A 31 -5.686 -13.868 5.702 1.00 0.00 N ATOM 522 CD2 HIS A 31 -7.159 -14.774 4.340 1.00 0.00 C ATOM 523 CE1 HIS A 31 -6.626 -14.507 6.423 1.00 0.00 C ATOM 524 NE2 HIS A 31 -7.547 -15.077 5.642 1.00 0.00 N ATOM 0 H HIS A 31 -4.265 -12.056 1.438 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.656 -13.529 1.701 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -4.566 -14.200 2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -4.481 -12.690 3.676 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.684 -15.081 3.447 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -6.634 -14.553 7.502 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -8.360 -15.618 5.936 1.00 0.00 H new ATOM 533 N SER A 32 -6.540 -11.026 3.856 1.00 0.00 N ATOM 534 CA SER A 32 -7.371 -10.079 4.592 1.00 0.00 C ATOM 535 C SER A 32 -6.571 -8.826 4.936 1.00 0.00 C ATOM 536 O SER A 32 -6.568 -8.373 6.083 1.00 0.00 O ATOM 537 CB SER A 32 -7.896 -10.730 5.874 1.00 0.00 C ATOM 538 OG SER A 32 -8.526 -11.963 5.553 1.00 0.00 O ATOM 0 H SER A 32 -5.557 -11.027 4.128 1.00 0.00 H new ATOM 0 HA SER A 32 -8.215 -9.794 3.964 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.076 -10.899 6.572 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.604 -10.065 6.369 1.00 0.00 H new ATOM 0 HG SER A 32 -8.861 -12.382 6.373 1.00 0.00 H new ATOM 544 N PHE A 33 -5.896 -8.272 3.931 1.00 0.00 N ATOM 545 CA PHE A 33 -5.094 -7.067 4.124 1.00 0.00 C ATOM 546 C PHE A 33 -5.885 -6.029 4.924 1.00 0.00 C ATOM 547 O PHE A 33 -7.077 -5.835 4.687 1.00 0.00 O ATOM 548 CB PHE A 33 -4.706 -6.492 2.756 1.00 0.00 C ATOM 549 CG PHE A 33 -4.057 -5.133 2.926 1.00 0.00 C ATOM 550 CD1 PHE A 33 -4.853 -3.990 3.073 1.00 0.00 C ATOM 551 CD2 PHE A 33 -2.661 -5.019 2.936 1.00 0.00 C ATOM 552 CE1 PHE A 33 -4.253 -2.734 3.231 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.062 -3.764 3.095 1.00 0.00 C ATOM 554 CZ PHE A 33 -2.858 -2.621 3.243 1.00 0.00 C ATOM 0 H PHE A 33 -5.889 -8.637 2.979 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.192 -7.320 4.681 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.020 -7.170 2.249 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.591 -6.405 2.126 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.929 -4.077 3.065 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -2.047 -5.900 2.821 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.867 -1.853 3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -0.986 -3.677 3.104 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.395 -1.653 3.366 1.00 0.00 H new ATOM 564 N PRO A 34 -5.248 -5.372 5.864 1.00 0.00 N ATOM 565 CA PRO A 34 -5.911 -4.338 6.719 1.00 0.00 C ATOM 566 C PRO A 34 -6.343 -3.110 5.918 1.00 0.00 C ATOM 567 O PRO A 34 -5.747 -2.039 6.029 1.00 0.00 O ATOM 568 CB PRO A 34 -4.841 -3.976 7.757 1.00 0.00 C ATOM 569 CG PRO A 34 -3.538 -4.358 7.137 1.00 0.00 C ATOM 570 CD PRO A 34 -3.829 -5.542 6.218 1.00 0.00 C ATOM 0 HA PRO A 34 -6.831 -4.712 7.168 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.867 -2.912 7.992 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.003 -4.513 8.692 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.116 -3.525 6.575 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.809 -4.629 7.901 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.192 -5.528 5.334 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.654 -6.492 6.722 1.00 0.00 H new ATOM 578 N LYS A 35 -7.389 -3.275 5.111 1.00 0.00 N ATOM 579 CA LYS A 35 -7.904 -2.177 4.299 1.00 0.00 C ATOM 580 C LYS A 35 -8.296 -0.995 5.182 1.00 0.00 C ATOM 581 O LYS A 35 -8.274 0.156 4.741 1.00 0.00 O ATOM 582 CB LYS A 35 -9.128 -2.641 3.504 1.00 0.00 C ATOM 583 CG LYS A 35 -8.737 -3.787 2.566 1.00 0.00 C ATOM 584 CD LYS A 35 -9.788 -3.932 1.461 1.00 0.00 C ATOM 585 CE LYS A 35 -11.109 -4.423 2.063 1.00 0.00 C ATOM 586 NZ LYS A 35 -11.939 -3.253 2.468 1.00 0.00 N ATOM 0 H LYS A 35 -7.894 -4.155 5.003 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.119 -1.863 3.611 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.912 -2.969 4.186 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.534 -1.810 2.927 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.758 -3.593 2.127 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.655 -4.718 3.128 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.939 -2.975 0.962 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.439 -4.635 0.704 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.648 -5.030 1.336 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.913 -5.059 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.042 -3.242 3.503 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -11.477 -2.375 2.157 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.878 -3.324 2.027 1.00 0.00 H new ATOM 600 N THR A 36 -8.663 -1.294 6.427 1.00 0.00 N ATOM 601 CA THR A 36 -9.072 -0.259 7.371 1.00 0.00 C ATOM 602 C THR A 36 -7.928 0.096 8.322 1.00 0.00 C ATOM 603 O THR A 36 -8.143 0.278 9.521 1.00 0.00 O ATOM 604 CB THR A 36 -10.284 -0.743 8.177 1.00 0.00 C ATOM 605 OG1 THR A 36 -9.900 -1.843 8.993 1.00 0.00 O ATOM 606 CG2 THR A 36 -11.399 -1.181 7.224 1.00 0.00 C ATOM 0 H THR A 36 -8.685 -2.242 6.803 1.00 0.00 H new ATOM 0 HA THR A 36 -9.340 0.634 6.807 1.00 0.00 H new ATOM 0 HB THR A 36 -10.647 0.071 8.805 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.673 -2.152 9.510 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.257 -1.524 7.802 1.00 0.00 H new ATOM 0 HG22 THR A 36 -11.695 -0.339 6.599 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.039 -1.993 6.592 1.00 0.00 H new ATOM 614 N SER A 37 -6.713 0.198 7.780 1.00 0.00 N ATOM 615 CA SER A 37 -5.547 0.533 8.590 1.00 0.00 C ATOM 616 C SER A 37 -4.298 0.562 7.721 1.00 0.00 C ATOM 617 O SER A 37 -4.080 -0.329 6.901 1.00 0.00 O ATOM 618 CB SER A 37 -5.362 -0.498 9.707 1.00 0.00 C ATOM 619 OG SER A 37 -4.964 0.166 10.900 1.00 0.00 O ATOM 0 H SER A 37 -6.514 0.054 6.790 1.00 0.00 H new ATOM 0 HA SER A 37 -5.705 1.517 9.032 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.292 -1.042 9.873 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.610 -1.233 9.418 1.00 0.00 H new ATOM 0 HG SER A 37 -4.847 -0.492 11.617 1.00 0.00 H new ATOM 625 N THR A 38 -3.479 1.589 7.911 1.00 0.00 N ATOM 626 CA THR A 38 -2.252 1.721 7.138 1.00 0.00 C ATOM 627 C THR A 38 -1.101 2.128 8.049 1.00 0.00 C ATOM 628 O THR A 38 -1.036 3.261 8.528 1.00 0.00 O ATOM 629 CB THR A 38 -2.442 2.762 6.023 1.00 0.00 C ATOM 630 OG1 THR A 38 -1.180 3.293 5.639 1.00 0.00 O ATOM 631 CG2 THR A 38 -3.348 3.894 6.518 1.00 0.00 C ATOM 0 H THR A 38 -3.640 2.336 8.587 1.00 0.00 H new ATOM 0 HA THR A 38 -2.015 0.759 6.683 1.00 0.00 H new ATOM 0 HB THR A 38 -2.906 2.281 5.162 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.306 3.955 4.927 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.479 4.629 5.724 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.319 3.486 6.799 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.891 4.373 7.384 1.00 0.00 H new ATOM 639 N ASP A 39 -0.194 1.186 8.274 1.00 0.00 N ATOM 640 CA ASP A 39 0.965 1.425 9.119 1.00 0.00 C ATOM 641 C ASP A 39 2.171 0.693 8.546 1.00 0.00 C ATOM 642 O ASP A 39 2.112 -0.510 8.289 1.00 0.00 O ATOM 643 CB ASP A 39 0.678 0.942 10.545 1.00 0.00 C ATOM 644 CG ASP A 39 1.949 0.991 11.391 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.660 1.982 11.310 1.00 0.00 O ATOM 646 OD2 ASP A 39 2.193 0.037 12.113 1.00 0.00 O ATOM 0 H ASP A 39 -0.241 0.246 7.880 1.00 0.00 H new ATOM 0 HA ASP A 39 1.179 2.493 9.149 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.092 1.566 10.999 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.290 -0.076 10.519 1.00 0.00 H new ATOM 651 N TYR A 40 3.256 1.427 8.335 1.00 0.00 N ATOM 652 CA TYR A 40 4.467 0.839 7.776 1.00 0.00 C ATOM 653 C TYR A 40 4.905 -0.390 8.570 1.00 0.00 C ATOM 654 O TYR A 40 5.182 -1.436 7.993 1.00 0.00 O ATOM 655 CB TYR A 40 5.592 1.876 7.768 1.00 0.00 C ATOM 656 CG TYR A 40 6.719 1.393 6.882 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.625 1.530 5.491 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.856 0.809 7.452 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.669 1.085 4.671 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.900 0.364 6.632 1.00 0.00 C ATOM 661 CZ TYR A 40 8.806 0.502 5.243 1.00 0.00 C ATOM 662 OH TYR A 40 9.834 0.062 4.437 1.00 0.00 O ATOM 0 H TYR A 40 3.323 2.424 8.541 1.00 0.00 H new ATOM 0 HA TYR A 40 4.250 0.525 6.755 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.216 2.833 7.406 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.957 2.040 8.782 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.747 1.979 5.051 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.928 0.702 8.524 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.597 1.191 3.599 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.778 -0.086 7.072 1.00 0.00 H new ATOM 0 HH TYR A 40 9.547 0.082 3.500 1.00 0.00 H new ATOM 672 N HIS A 41 4.981 -0.249 9.890 1.00 0.00 N ATOM 673 CA HIS A 41 5.413 -1.350 10.750 1.00 0.00 C ATOM 674 C HIS A 41 4.456 -2.544 10.698 1.00 0.00 C ATOM 675 O HIS A 41 4.886 -3.680 10.503 1.00 0.00 O ATOM 676 CB HIS A 41 5.524 -0.859 12.195 1.00 0.00 C ATOM 677 CG HIS A 41 6.663 0.116 12.313 1.00 0.00 C ATOM 678 ND1 HIS A 41 7.854 -0.213 12.939 1.00 0.00 N ATOM 679 CD2 HIS A 41 6.806 1.415 11.892 1.00 0.00 C ATOM 680 CE1 HIS A 41 8.656 0.866 12.879 1.00 0.00 C ATOM 681 NE2 HIS A 41 8.066 1.887 12.251 1.00 0.00 N ATOM 0 H HIS A 41 4.751 0.611 10.387 1.00 0.00 H new ATOM 0 HA HIS A 41 6.382 -1.686 10.382 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.592 -0.383 12.500 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.685 -1.704 12.865 1.00 0.00 H new ATOM 0 HD2 HIS A 41 6.056 1.984 11.363 1.00 0.00 H new ATOM 0 HE1 HIS A 41 9.655 0.902 13.289 1.00 0.00 H new ATOM 0 HE2 HIS A 41 8.455 2.813 12.073 1.00 0.00 H new ATOM 690 N GLU A 42 3.167 -2.290 10.902 1.00 0.00 N ATOM 691 CA GLU A 42 2.174 -3.366 10.904 1.00 0.00 C ATOM 692 C GLU A 42 2.102 -4.085 9.559 1.00 0.00 C ATOM 693 O GLU A 42 2.172 -5.314 9.500 1.00 0.00 O ATOM 694 CB GLU A 42 0.792 -2.798 11.247 1.00 0.00 C ATOM 695 CG GLU A 42 -0.088 -3.897 11.857 1.00 0.00 C ATOM 696 CD GLU A 42 -0.419 -4.957 10.809 1.00 0.00 C ATOM 697 OE1 GLU A 42 -1.013 -4.604 9.801 1.00 0.00 O ATOM 698 OE2 GLU A 42 -0.074 -6.107 11.028 1.00 0.00 O ATOM 0 H GLU A 42 2.785 -1.359 11.067 1.00 0.00 H new ATOM 0 HA GLU A 42 2.483 -4.091 11.657 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.893 -1.970 11.949 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.320 -2.399 10.349 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.427 -4.358 12.700 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.008 -3.461 12.246 1.00 0.00 H new ATOM 705 N ILE A 43 1.937 -3.319 8.485 1.00 0.00 N ATOM 706 CA ILE A 43 1.823 -3.905 7.153 1.00 0.00 C ATOM 707 C ILE A 43 3.145 -4.527 6.693 1.00 0.00 C ATOM 708 O ILE A 43 3.145 -5.596 6.083 1.00 0.00 O ATOM 709 CB ILE A 43 1.332 -2.844 6.157 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.150 -2.549 6.446 1.00 0.00 C ATOM 711 CG2 ILE A 43 1.478 -3.363 4.722 1.00 0.00 C ATOM 712 CD1 ILE A 43 -0.607 -1.306 5.675 1.00 0.00 C ATOM 0 H ILE A 43 1.880 -2.301 8.509 1.00 0.00 H new ATOM 0 HA ILE A 43 1.092 -4.712 7.196 1.00 0.00 H new ATOM 0 HB ILE A 43 1.926 -1.937 6.265 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -0.760 -3.406 6.161 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.295 -2.395 7.515 1.00 0.00 H new ATOM 0 HG21 ILE A 43 1.127 -2.604 4.023 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.526 -3.586 4.520 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.885 -4.269 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -1.658 -1.110 5.890 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.008 -0.448 5.980 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.481 -1.474 4.606 1.00 0.00 H new ATOM 724 N SER A 44 4.270 -3.872 6.990 1.00 0.00 N ATOM 725 CA SER A 44 5.571 -4.413 6.592 1.00 0.00 C ATOM 726 C SER A 44 5.723 -5.851 7.083 1.00 0.00 C ATOM 727 O SER A 44 6.104 -6.739 6.321 1.00 0.00 O ATOM 728 CB SER A 44 6.712 -3.562 7.154 1.00 0.00 C ATOM 729 OG SER A 44 6.625 -3.527 8.573 1.00 0.00 O ATOM 0 H SER A 44 4.308 -2.986 7.493 1.00 0.00 H new ATOM 0 HA SER A 44 5.620 -4.395 5.503 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.673 -3.976 6.848 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.658 -2.551 6.751 1.00 0.00 H new ATOM 0 HG SER A 44 5.686 -3.601 8.845 1.00 0.00 H new ATOM 735 N SER A 45 5.419 -6.070 8.362 1.00 0.00 N ATOM 736 CA SER A 45 5.519 -7.400 8.949 1.00 0.00 C ATOM 737 C SER A 45 4.548 -8.358 8.267 1.00 0.00 C ATOM 738 O SER A 45 4.869 -9.524 8.042 1.00 0.00 O ATOM 739 CB SER A 45 5.209 -7.332 10.446 1.00 0.00 C ATOM 740 OG SER A 45 5.779 -6.151 10.994 1.00 0.00 O ATOM 0 H SER A 45 5.103 -5.345 9.007 1.00 0.00 H new ATOM 0 HA SER A 45 6.535 -7.768 8.806 1.00 0.00 H new ATOM 0 HB2 SER A 45 4.131 -7.336 10.606 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.610 -8.211 10.952 1.00 0.00 H new ATOM 0 HG SER A 45 5.146 -5.409 10.902 1.00 0.00 H new ATOM 746 N TYR A 46 3.359 -7.858 7.942 1.00 0.00 N ATOM 747 CA TYR A 46 2.342 -8.680 7.289 1.00 0.00 C ATOM 748 C TYR A 46 2.860 -9.221 5.959 1.00 0.00 C ATOM 749 O TYR A 46 2.730 -10.412 5.674 1.00 0.00 O ATOM 750 CB TYR A 46 1.080 -7.846 7.052 1.00 0.00 C ATOM 751 CG TYR A 46 -0.049 -8.743 6.595 1.00 0.00 C ATOM 752 CD1 TYR A 46 -0.667 -9.613 7.503 1.00 0.00 C ATOM 753 CD2 TYR A 46 -0.483 -8.700 5.263 1.00 0.00 C ATOM 754 CE1 TYR A 46 -1.715 -10.439 7.080 1.00 0.00 C ATOM 755 CE2 TYR A 46 -1.531 -9.527 4.840 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.147 -10.396 5.748 1.00 0.00 C ATOM 757 OH TYR A 46 -3.182 -11.208 5.331 1.00 0.00 O ATOM 0 H TYR A 46 3.076 -6.894 8.118 1.00 0.00 H new ATOM 0 HA TYR A 46 2.106 -9.523 7.938 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.797 -7.329 7.969 1.00 0.00 H new ATOM 0 HB3 TYR A 46 1.275 -7.080 6.301 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.335 -9.646 8.530 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -0.009 -8.029 4.562 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.191 -11.109 7.781 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.864 -9.494 3.813 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.516 -10.893 4.465 1.00 0.00 H new ATOM 767 N LEU A 47 3.448 -8.343 5.151 1.00 0.00 N ATOM 768 CA LEU A 47 3.983 -8.747 3.854 1.00 0.00 C ATOM 769 C LEU A 47 5.233 -9.604 4.035 1.00 0.00 C ATOM 770 O LEU A 47 5.423 -10.596 3.330 1.00 0.00 O ATOM 771 CB LEU A 47 4.324 -7.511 3.019 1.00 0.00 C ATOM 772 CG LEU A 47 3.046 -6.716 2.727 1.00 0.00 C ATOM 773 CD1 LEU A 47 3.413 -5.359 2.125 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.174 -7.494 1.734 1.00 0.00 C ATOM 0 H LEU A 47 3.566 -7.354 5.369 1.00 0.00 H new ATOM 0 HA LEU A 47 3.225 -9.334 3.336 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.039 -6.885 3.553 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.799 -7.811 2.085 1.00 0.00 H new ATOM 0 HG LEU A 47 2.495 -6.565 3.655 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.504 -4.795 1.918 1.00 0.00 H new ATOM 0 HD12 LEU A 47 4.032 -4.804 2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.966 -5.510 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.266 -6.928 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.726 -7.646 0.807 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.910 -8.461 2.162 1.00 0.00 H new ATOM 786 N GLU A 48 6.078 -9.216 4.988 1.00 0.00 N ATOM 787 CA GLU A 48 7.307 -9.958 5.262 1.00 0.00 C ATOM 788 C GLU A 48 6.976 -11.361 5.756 1.00 0.00 C ATOM 789 O GLU A 48 7.615 -12.336 5.363 1.00 0.00 O ATOM 790 CB GLU A 48 8.135 -9.226 6.320 1.00 0.00 C ATOM 791 CG GLU A 48 8.892 -8.070 5.663 1.00 0.00 C ATOM 792 CD GLU A 48 9.697 -7.308 6.712 1.00 0.00 C ATOM 793 OE1 GLU A 48 9.085 -6.749 7.609 1.00 0.00 O ATOM 794 OE2 GLU A 48 10.912 -7.293 6.603 1.00 0.00 O ATOM 0 H GLU A 48 5.936 -8.398 5.580 1.00 0.00 H new ATOM 0 HA GLU A 48 7.883 -10.031 4.339 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.485 -8.848 7.109 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.837 -9.915 6.789 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.558 -8.454 4.890 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.189 -7.397 5.173 1.00 0.00 H new ATOM 801 N LEU A 49 5.968 -11.450 6.618 1.00 0.00 N ATOM 802 CA LEU A 49 5.552 -12.738 7.157 1.00 0.00 C ATOM 803 C LEU A 49 4.992 -13.617 6.043 1.00 0.00 C ATOM 804 O LEU A 49 5.185 -14.834 6.045 1.00 0.00 O ATOM 805 CB LEU A 49 4.494 -12.534 8.247 1.00 0.00 C ATOM 806 CG LEU A 49 5.182 -12.148 9.563 1.00 0.00 C ATOM 807 CD1 LEU A 49 4.254 -11.250 10.390 1.00 0.00 C ATOM 808 CD2 LEU A 49 5.511 -13.416 10.360 1.00 0.00 C ATOM 0 H LEU A 49 5.429 -10.653 6.955 1.00 0.00 H new ATOM 0 HA LEU A 49 6.419 -13.233 7.594 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.794 -11.754 7.948 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.915 -13.447 8.382 1.00 0.00 H new ATOM 0 HG LEU A 49 6.102 -11.607 9.342 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.747 -10.979 11.323 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.024 -10.347 9.825 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.330 -11.786 10.610 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.000 -13.142 11.295 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.591 -13.958 10.577 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.177 -14.051 9.775 1.00 0.00 H new ATOM 820 N ASN A 50 4.314 -12.989 5.082 1.00 0.00 N ATOM 821 CA ASN A 50 3.748 -13.722 3.953 1.00 0.00 C ATOM 822 C ASN A 50 4.872 -14.295 3.095 1.00 0.00 C ATOM 823 O ASN A 50 5.738 -13.557 2.623 1.00 0.00 O ATOM 824 CB ASN A 50 2.876 -12.794 3.102 1.00 0.00 C ATOM 825 CG ASN A 50 1.510 -12.598 3.758 1.00 0.00 C ATOM 826 OD1 ASN A 50 0.888 -13.564 4.204 1.00 0.00 O ATOM 827 ND2 ASN A 50 1.002 -11.399 3.841 1.00 0.00 N ATOM 0 H ASN A 50 4.145 -11.983 5.063 1.00 0.00 H new ATOM 0 HA ASN A 50 3.132 -14.535 4.336 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.370 -11.830 2.981 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.751 -13.216 2.105 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.089 -11.261 4.275 1.00 0.00 H new ATOM 0 HD22 ASN A 50 1.517 -10.600 3.472 1.00 0.00 H new ATOM 834 N ALA A 51 4.858 -15.611 2.905 1.00 0.00 N ATOM 835 CA ALA A 51 5.886 -16.276 2.110 1.00 0.00 C ATOM 836 C ALA A 51 5.777 -15.889 0.636 1.00 0.00 C ATOM 837 O ALA A 51 6.788 -15.714 -0.045 1.00 0.00 O ATOM 838 CB ALA A 51 5.750 -17.794 2.250 1.00 0.00 C ATOM 0 H ALA A 51 4.149 -16.236 3.289 1.00 0.00 H new ATOM 0 HA ALA A 51 6.860 -15.957 2.480 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.520 -18.285 1.654 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.867 -18.075 3.297 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.766 -18.105 1.899 1.00 0.00 H new ATOM 844 N ASP A 52 4.545 -15.765 0.152 1.00 0.00 N ATOM 845 CA ASP A 52 4.310 -15.408 -1.245 1.00 0.00 C ATOM 846 C ASP A 52 4.794 -13.990 -1.539 1.00 0.00 C ATOM 847 O ASP A 52 5.315 -13.718 -2.622 1.00 0.00 O ATOM 848 CB ASP A 52 2.817 -15.515 -1.564 1.00 0.00 C ATOM 849 CG ASP A 52 2.386 -16.978 -1.557 1.00 0.00 C ATOM 850 OD1 ASP A 52 2.140 -17.499 -0.481 1.00 0.00 O ATOM 851 OD2 ASP A 52 2.311 -17.560 -2.628 1.00 0.00 O ATOM 0 H ASP A 52 3.698 -15.905 0.702 1.00 0.00 H new ATOM 0 HA ASP A 52 4.871 -16.101 -1.871 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.239 -14.953 -0.830 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.612 -15.072 -2.538 1.00 0.00 H new ATOM 856 N TYR A 53 4.610 -13.090 -0.576 1.00 0.00 N ATOM 857 CA TYR A 53 5.021 -11.698 -0.748 1.00 0.00 C ATOM 858 C TYR A 53 6.423 -11.466 -0.186 1.00 0.00 C ATOM 859 O TYR A 53 7.008 -10.401 -0.387 1.00 0.00 O ATOM 860 CB TYR A 53 4.026 -10.770 -0.043 1.00 0.00 C ATOM 861 CG TYR A 53 2.749 -10.691 -0.850 1.00 0.00 C ATOM 862 CD1 TYR A 53 1.848 -11.764 -0.843 1.00 0.00 C ATOM 863 CD2 TYR A 53 2.464 -9.543 -1.603 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.665 -11.691 -1.587 1.00 0.00 C ATOM 865 CE2 TYR A 53 1.279 -9.471 -2.347 1.00 0.00 C ATOM 866 CZ TYR A 53 0.380 -10.544 -2.340 1.00 0.00 C ATOM 867 OH TYR A 53 -0.787 -10.472 -3.073 1.00 0.00 O ATOM 0 H TYR A 53 4.182 -13.297 0.326 1.00 0.00 H new ATOM 0 HA TYR A 53 5.036 -11.478 -1.815 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.813 -11.142 0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.458 -9.776 0.072 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.067 -12.648 -0.263 1.00 0.00 H new ATOM 0 HD2 TYR A 53 3.157 -8.715 -1.609 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.029 -12.519 -1.581 1.00 0.00 H new ATOM 0 HE2 TYR A 53 1.059 -8.587 -2.927 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.451 -9.945 -2.581 1.00 0.00 H new ATOM 877 N LEU A 54 6.953 -12.463 0.520 1.00 0.00 N ATOM 878 CA LEU A 54 8.288 -12.352 1.108 1.00 0.00 C ATOM 879 C LEU A 54 9.308 -11.907 0.062 1.00 0.00 C ATOM 880 O LEU A 54 10.139 -11.036 0.324 1.00 0.00 O ATOM 881 CB LEU A 54 8.710 -13.703 1.701 1.00 0.00 C ATOM 882 CG LEU A 54 10.148 -13.625 2.230 1.00 0.00 C ATOM 883 CD1 LEU A 54 10.275 -12.479 3.239 1.00 0.00 C ATOM 884 CD2 LEU A 54 10.502 -14.948 2.915 1.00 0.00 C ATOM 0 H LEU A 54 6.483 -13.351 0.698 1.00 0.00 H new ATOM 0 HA LEU A 54 8.254 -11.602 1.898 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.033 -13.981 2.508 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.636 -14.481 0.941 1.00 0.00 H new ATOM 0 HG LEU A 54 10.829 -13.443 1.399 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.299 -12.432 3.609 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.021 -11.537 2.753 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.596 -12.652 4.074 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.523 -14.900 3.294 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.816 -15.124 3.743 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.420 -15.763 2.196 1.00 0.00 H new ATOM 896 N HIS A 55 9.238 -12.511 -1.121 1.00 0.00 N ATOM 897 CA HIS A 55 10.161 -12.176 -2.202 1.00 0.00 C ATOM 898 C HIS A 55 9.596 -11.048 -3.066 1.00 0.00 C ATOM 899 O HIS A 55 9.838 -10.994 -4.272 1.00 0.00 O ATOM 900 CB HIS A 55 10.418 -13.413 -3.068 1.00 0.00 C ATOM 901 CG HIS A 55 10.950 -14.525 -2.206 1.00 0.00 C ATOM 902 ND1 HIS A 55 12.258 -14.544 -1.748 1.00 0.00 N ATOM 903 CD2 HIS A 55 10.361 -15.661 -1.707 1.00 0.00 C ATOM 904 CE1 HIS A 55 12.413 -15.658 -1.009 1.00 0.00 C ATOM 905 NE2 HIS A 55 11.287 -16.375 -0.952 1.00 0.00 N ATOM 0 H HIS A 55 8.555 -13.232 -1.355 1.00 0.00 H new ATOM 0 HA HIS A 55 11.100 -11.839 -1.763 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.495 -13.726 -3.557 1.00 0.00 H new ATOM 0 HB3 HIS A 55 11.132 -13.176 -3.857 1.00 0.00 H new ATOM 0 HD2 HIS A 55 9.336 -15.955 -1.875 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.335 -15.938 -0.521 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.138 -17.256 -0.461 1.00 0.00 H new ATOM 914 N THR A 56 8.842 -10.149 -2.436 1.00 0.00 N ATOM 915 CA THR A 56 8.246 -9.022 -3.149 1.00 0.00 C ATOM 916 C THR A 56 8.181 -7.791 -2.246 1.00 0.00 C ATOM 917 O THR A 56 7.401 -6.869 -2.491 1.00 0.00 O ATOM 918 CB THR A 56 6.834 -9.389 -3.625 1.00 0.00 C ATOM 919 OG1 THR A 56 6.762 -10.789 -3.862 1.00 0.00 O ATOM 920 CG2 THR A 56 6.512 -8.636 -4.919 1.00 0.00 C ATOM 0 H THR A 56 8.630 -10.179 -1.439 1.00 0.00 H new ATOM 0 HA THR A 56 8.869 -8.792 -4.013 1.00 0.00 H new ATOM 0 HB THR A 56 6.112 -9.111 -2.857 1.00 0.00 H new ATOM 0 HG1 THR A 56 5.860 -11.024 -4.164 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.509 -8.900 -5.253 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.564 -7.562 -4.738 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.234 -8.909 -5.688 1.00 0.00 H new ATOM 928 N MET A 57 9.006 -7.785 -1.201 1.00 0.00 N ATOM 929 CA MET A 57 9.035 -6.665 -0.264 1.00 0.00 C ATOM 930 C MET A 57 9.600 -5.412 -0.929 1.00 0.00 C ATOM 931 O MET A 57 9.168 -4.296 -0.636 1.00 0.00 O ATOM 932 CB MET A 57 9.895 -7.026 0.951 1.00 0.00 C ATOM 933 CG MET A 57 9.063 -7.829 1.957 1.00 0.00 C ATOM 934 SD MET A 57 7.637 -6.849 2.497 1.00 0.00 S ATOM 935 CE MET A 57 8.557 -5.510 3.298 1.00 0.00 C ATOM 0 H MET A 57 9.659 -8.538 -0.983 1.00 0.00 H new ATOM 0 HA MET A 57 8.013 -6.461 0.054 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.761 -7.608 0.635 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.275 -6.119 1.421 1.00 0.00 H new ATOM 0 HG2 MET A 57 8.725 -8.760 1.502 1.00 0.00 H new ATOM 0 HG3 MET A 57 9.677 -8.099 2.817 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.932 -5.043 4.059 1.00 0.00 H new ATOM 0 HE2 MET A 57 9.456 -5.914 3.764 1.00 0.00 H new ATOM 0 HE3 MET A 57 8.838 -4.766 2.553 1.00 0.00 H new ATOM 945 N ALA A 58 10.568 -5.604 -1.823 1.00 0.00 N ATOM 946 CA ALA A 58 11.191 -4.483 -2.525 1.00 0.00 C ATOM 947 C ALA A 58 10.145 -3.672 -3.285 1.00 0.00 C ATOM 948 O ALA A 58 10.261 -2.450 -3.409 1.00 0.00 O ATOM 949 CB ALA A 58 12.247 -5.002 -3.504 1.00 0.00 C ATOM 0 H ALA A 58 10.937 -6.520 -2.078 1.00 0.00 H new ATOM 0 HA ALA A 58 11.665 -3.837 -1.786 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.707 -4.161 -4.023 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.012 -5.552 -2.956 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.775 -5.663 -4.231 1.00 0.00 H new ATOM 955 N THR A 59 9.122 -4.358 -3.791 1.00 0.00 N ATOM 956 CA THR A 59 8.061 -3.692 -4.537 1.00 0.00 C ATOM 957 C THR A 59 7.177 -2.879 -3.596 1.00 0.00 C ATOM 958 O THR A 59 6.784 -1.756 -3.915 1.00 0.00 O ATOM 959 CB THR A 59 7.210 -4.730 -5.274 1.00 0.00 C ATOM 960 OG1 THR A 59 8.050 -5.533 -6.091 1.00 0.00 O ATOM 961 CG2 THR A 59 6.172 -4.020 -6.148 1.00 0.00 C ATOM 0 H THR A 59 9.007 -5.367 -3.698 1.00 0.00 H new ATOM 0 HA THR A 59 8.517 -3.018 -5.262 1.00 0.00 H new ATOM 0 HB THR A 59 6.697 -5.360 -4.547 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.508 -6.199 -6.562 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.568 -4.762 -6.671 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.527 -3.405 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.681 -3.388 -6.876 1.00 0.00 H new ATOM 969 N PHE A 60 6.876 -3.450 -2.432 1.00 0.00 N ATOM 970 CA PHE A 60 6.046 -2.762 -1.448 1.00 0.00 C ATOM 971 C PHE A 60 6.752 -1.504 -0.950 1.00 0.00 C ATOM 972 O PHE A 60 6.169 -0.420 -0.931 1.00 0.00 O ATOM 973 CB PHE A 60 5.751 -3.690 -0.266 1.00 0.00 C ATOM 974 CG PHE A 60 5.035 -2.917 0.820 1.00 0.00 C ATOM 975 CD1 PHE A 60 3.686 -2.574 0.662 1.00 0.00 C ATOM 976 CD2 PHE A 60 5.721 -2.541 1.981 1.00 0.00 C ATOM 977 CE1 PHE A 60 3.024 -1.858 1.666 1.00 0.00 C ATOM 978 CE2 PHE A 60 5.060 -1.824 2.985 1.00 0.00 C ATOM 979 CZ PHE A 60 3.711 -1.482 2.827 1.00 0.00 C ATOM 0 H PHE A 60 7.191 -4.378 -2.149 1.00 0.00 H new ATOM 0 HA PHE A 60 5.107 -2.479 -1.923 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.137 -4.529 -0.594 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.680 -4.107 0.123 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.157 -2.862 -0.234 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.761 -2.804 2.102 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.983 -1.595 1.545 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.590 -1.535 3.881 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.200 -0.928 3.601 1.00 0.00 H new ATOM 989 N ASP A 61 8.014 -1.660 -0.552 1.00 0.00 N ATOM 990 CA ASP A 61 8.800 -0.534 -0.059 1.00 0.00 C ATOM 991 C ASP A 61 8.749 0.624 -1.051 1.00 0.00 C ATOM 992 O ASP A 61 8.566 1.780 -0.662 1.00 0.00 O ATOM 993 CB ASP A 61 10.251 -0.968 0.158 1.00 0.00 C ATOM 994 CG ASP A 61 10.929 -0.054 1.176 1.00 0.00 C ATOM 995 OD1 ASP A 61 11.034 1.132 0.901 1.00 0.00 O ATOM 996 OD2 ASP A 61 11.332 -0.553 2.213 1.00 0.00 O ATOM 0 H ASP A 61 8.510 -2.551 -0.562 1.00 0.00 H new ATOM 0 HA ASP A 61 8.378 -0.202 0.890 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.281 -2.000 0.508 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.793 -0.936 -0.787 1.00 0.00 H new ATOM 1001 N GLU A 62 8.905 0.304 -2.335 1.00 0.00 N ATOM 1002 CA GLU A 62 8.873 1.320 -3.381 1.00 0.00 C ATOM 1003 C GLU A 62 7.498 1.981 -3.443 1.00 0.00 C ATOM 1004 O GLU A 62 7.391 3.195 -3.616 1.00 0.00 O ATOM 1005 CB GLU A 62 9.199 0.683 -4.736 1.00 0.00 C ATOM 1006 CG GLU A 62 9.121 1.742 -5.842 1.00 0.00 C ATOM 1007 CD GLU A 62 9.949 1.301 -7.046 1.00 0.00 C ATOM 1008 OE1 GLU A 62 11.144 1.545 -7.041 1.00 0.00 O ATOM 1009 OE2 GLU A 62 9.375 0.724 -7.957 1.00 0.00 O ATOM 0 H GLU A 62 9.054 -0.647 -2.673 1.00 0.00 H new ATOM 0 HA GLU A 62 9.618 2.081 -3.148 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.196 0.244 -4.711 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.499 -0.126 -4.945 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.083 1.893 -6.140 1.00 0.00 H new ATOM 0 HG3 GLU A 62 9.488 2.698 -5.468 1.00 0.00 H new ATOM 1016 N ALA A 63 6.448 1.174 -3.296 1.00 0.00 N ATOM 1017 CA ALA A 63 5.088 1.700 -3.333 1.00 0.00 C ATOM 1018 C ALA A 63 4.891 2.713 -2.211 1.00 0.00 C ATOM 1019 O ALA A 63 4.364 3.804 -2.434 1.00 0.00 O ATOM 1020 CB ALA A 63 4.076 0.561 -3.184 1.00 0.00 C ATOM 0 H ALA A 63 6.513 0.166 -3.152 1.00 0.00 H new ATOM 0 HA ALA A 63 4.929 2.192 -4.293 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.065 0.967 -3.213 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.206 -0.150 -4.000 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.236 0.054 -2.232 1.00 0.00 H new ATOM 1026 N TRP A 64 5.330 2.347 -1.009 1.00 0.00 N ATOM 1027 CA TRP A 64 5.210 3.237 0.140 1.00 0.00 C ATOM 1028 C TRP A 64 5.862 4.586 -0.156 1.00 0.00 C ATOM 1029 O TRP A 64 5.268 5.635 0.087 1.00 0.00 O ATOM 1030 CB TRP A 64 5.862 2.609 1.374 1.00 0.00 C ATOM 1031 CG TRP A 64 5.461 3.385 2.587 1.00 0.00 C ATOM 1032 CD1 TRP A 64 6.191 4.375 3.149 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.252 3.261 3.391 1.00 0.00 C ATOM 1034 NE1 TRP A 64 5.506 4.869 4.244 1.00 0.00 N ATOM 1035 CE2 TRP A 64 4.307 4.213 4.436 1.00 0.00 C ATOM 1036 CE3 TRP A 64 3.124 2.424 3.314 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 3.280 4.331 5.373 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 2.089 2.539 4.257 1.00 0.00 C ATOM 1039 CH2 TRP A 64 2.166 3.490 5.283 1.00 0.00 C ATOM 0 H TRP A 64 5.768 1.448 -0.807 1.00 0.00 H new ATOM 0 HA TRP A 64 4.150 3.393 0.339 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.553 1.568 1.474 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.947 2.611 1.268 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.152 4.723 2.800 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.845 5.626 4.837 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.053 1.689 2.526 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.345 5.066 6.162 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 1.228 1.890 4.191 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.366 3.574 6.004 1.00 0.00 H new ATOM 1050 N ASP A 65 7.087 4.547 -0.687 1.00 0.00 N ATOM 1051 CA ASP A 65 7.812 5.774 -1.018 1.00 0.00 C ATOM 1052 C ASP A 65 6.950 6.683 -1.889 1.00 0.00 C ATOM 1053 O ASP A 65 6.926 7.901 -1.701 1.00 0.00 O ATOM 1054 CB ASP A 65 9.115 5.438 -1.752 1.00 0.00 C ATOM 1055 CG ASP A 65 10.172 4.976 -0.752 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.683 5.817 -0.029 1.00 0.00 O ATOM 1057 OD2 ASP A 65 10.455 3.789 -0.724 1.00 0.00 O ATOM 0 H ASP A 65 7.593 3.686 -0.895 1.00 0.00 H new ATOM 0 HA ASP A 65 8.049 6.295 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.935 4.657 -2.491 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.473 6.313 -2.294 1.00 0.00 H new ATOM 1062 N GLN A 66 6.235 6.082 -2.836 1.00 0.00 N ATOM 1063 CA GLN A 66 5.364 6.847 -3.721 1.00 0.00 C ATOM 1064 C GLN A 66 4.135 7.329 -2.956 1.00 0.00 C ATOM 1065 O GLN A 66 3.708 8.473 -3.105 1.00 0.00 O ATOM 1066 CB GLN A 66 4.928 5.979 -4.907 1.00 0.00 C ATOM 1067 CG GLN A 66 6.109 5.785 -5.865 1.00 0.00 C ATOM 1068 CD GLN A 66 6.166 6.935 -6.865 1.00 0.00 C ATOM 1069 OE1 GLN A 66 6.840 7.936 -6.624 1.00 0.00 O ATOM 1070 NE2 GLN A 66 5.493 6.850 -7.982 1.00 0.00 N ATOM 0 H GLN A 66 6.241 5.077 -3.009 1.00 0.00 H new ATOM 0 HA GLN A 66 5.914 7.711 -4.094 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.573 5.012 -4.551 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.096 6.451 -5.430 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.041 5.736 -5.301 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.007 4.837 -6.394 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.935 6.019 -8.179 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.526 7.614 -8.657 1.00 0.00 H new ATOM 1079 N TYR A 67 3.575 6.445 -2.135 1.00 0.00 N ATOM 1080 CA TYR A 67 2.393 6.776 -1.343 1.00 0.00 C ATOM 1081 C TYR A 67 2.613 8.058 -0.540 1.00 0.00 C ATOM 1082 O TYR A 67 1.857 9.019 -0.675 1.00 0.00 O ATOM 1083 CB TYR A 67 2.069 5.619 -0.393 1.00 0.00 C ATOM 1084 CG TYR A 67 0.837 5.950 0.418 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -0.411 6.040 -0.211 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.944 6.164 1.798 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -1.552 6.344 0.541 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.199 6.468 2.549 1.00 0.00 C ATOM 1089 CZ TYR A 67 -1.446 6.558 1.920 1.00 0.00 C ATOM 1090 OH TYR A 67 -2.570 6.857 2.661 1.00 0.00 O ATOM 0 H TYR A 67 3.920 5.495 -2.000 1.00 0.00 H new ATOM 0 HA TYR A 67 1.557 6.938 -2.023 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.905 4.704 -0.962 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.914 5.434 0.271 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.493 5.875 -1.275 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.907 6.095 2.283 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.515 6.413 0.057 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.118 6.633 3.613 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.364 6.504 2.208 1.00 0.00 H new ATOM 1100 N GLU A 68 3.649 8.062 0.298 1.00 0.00 N ATOM 1101 CA GLU A 68 3.952 9.232 1.118 1.00 0.00 C ATOM 1102 C GLU A 68 4.150 10.477 0.253 1.00 0.00 C ATOM 1103 O GLU A 68 3.580 11.524 0.527 1.00 0.00 O ATOM 1104 CB GLU A 68 5.209 8.979 1.961 1.00 0.00 C ATOM 1105 CG GLU A 68 6.367 8.548 1.055 1.00 0.00 C ATOM 1106 CD GLU A 68 7.524 8.003 1.890 1.00 0.00 C ATOM 1107 OE1 GLU A 68 7.264 7.237 2.804 1.00 0.00 O ATOM 1108 OE2 GLU A 68 8.655 8.355 1.599 1.00 0.00 O ATOM 0 H GLU A 68 4.286 7.276 0.426 1.00 0.00 H new ATOM 0 HA GLU A 68 3.103 9.406 1.780 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.480 9.883 2.506 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.010 8.206 2.704 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.025 7.786 0.355 1.00 0.00 H new ATOM 0 HG3 GLU A 68 6.707 9.396 0.461 1.00 0.00 H new ATOM 1115 N SER A 69 4.961 10.356 -0.792 1.00 0.00 N ATOM 1116 CA SER A 69 5.228 11.489 -1.679 1.00 0.00 C ATOM 1117 C SER A 69 3.928 12.118 -2.182 1.00 0.00 C ATOM 1118 O SER A 69 3.888 13.307 -2.503 1.00 0.00 O ATOM 1119 CB SER A 69 6.075 11.034 -2.872 1.00 0.00 C ATOM 1120 OG SER A 69 5.239 10.424 -3.846 1.00 0.00 O ATOM 0 H SER A 69 5.443 9.494 -1.047 1.00 0.00 H new ATOM 0 HA SER A 69 5.774 12.240 -1.108 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.595 11.887 -3.308 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.838 10.330 -2.541 1.00 0.00 H new ATOM 0 HG SER A 69 4.598 9.831 -3.402 1.00 0.00 H new ATOM 1126 N GLU A 70 2.877 11.310 -2.264 1.00 0.00 N ATOM 1127 CA GLU A 70 1.583 11.785 -2.750 1.00 0.00 C ATOM 1128 C GLU A 70 0.772 12.471 -1.649 1.00 0.00 C ATOM 1129 O GLU A 70 0.324 13.606 -1.816 1.00 0.00 O ATOM 1130 CB GLU A 70 0.774 10.609 -3.309 1.00 0.00 C ATOM 1131 CG GLU A 70 1.605 9.854 -4.350 1.00 0.00 C ATOM 1132 CD GLU A 70 1.065 10.122 -5.753 1.00 0.00 C ATOM 1133 OE1 GLU A 70 0.087 9.494 -6.123 1.00 0.00 O ATOM 1134 OE2 GLU A 70 1.641 10.951 -6.439 1.00 0.00 O ATOM 0 H GLU A 70 2.893 10.325 -2.001 1.00 0.00 H new ATOM 0 HA GLU A 70 1.779 12.518 -3.533 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.488 9.936 -2.501 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.148 10.973 -3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.648 10.165 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.579 8.785 -4.141 1.00 0.00 H new ATOM 1141 N VAL A 71 0.543 11.757 -0.550 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.271 12.284 0.548 1.00 0.00 C ATOM 1143 C VAL A 71 0.548 13.085 1.566 1.00 0.00 C ATOM 1144 O VAL A 71 -0.018 13.846 2.350 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.957 11.113 1.258 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -2.099 11.630 2.138 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -1.517 10.138 0.215 1.00 0.00 C ATOM 0 H VAL A 71 0.906 10.817 -0.394 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.002 12.969 0.118 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.227 10.600 1.884 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.581 10.790 2.639 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.701 12.318 2.884 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.829 12.150 1.518 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.005 9.305 0.721 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.241 10.655 -0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.703 9.760 -0.404 1.00 0.00 H new ATOM 1157 N HIS A 72 1.867 12.923 1.557 1.00 0.00 N ATOM 1158 CA HIS A 72 2.716 13.655 2.497 1.00 0.00 C ATOM 1159 C HIS A 72 2.924 15.093 2.026 1.00 0.00 C ATOM 1160 O HIS A 72 3.347 15.953 2.799 1.00 0.00 O ATOM 1161 CB HIS A 72 4.075 12.961 2.647 1.00 0.00 C ATOM 1162 CG HIS A 72 4.772 13.479 3.876 1.00 0.00 C ATOM 1163 ND1 HIS A 72 4.455 13.031 5.148 1.00 0.00 N ATOM 1164 CD2 HIS A 72 5.773 14.404 4.042 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.250 13.681 6.017 1.00 0.00 C ATOM 1166 NE2 HIS A 72 6.073 14.529 5.395 1.00 0.00 N ATOM 0 H HIS A 72 2.368 12.302 0.921 1.00 0.00 H new ATOM 0 HA HIS A 72 2.214 13.668 3.465 1.00 0.00 H new ATOM 0 HB2 HIS A 72 3.938 11.882 2.722 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.688 13.144 1.764 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.254 14.951 3.244 1.00 0.00 H new ATOM 0 HE1 HIS A 72 5.226 13.535 7.087 1.00 0.00 H new ATOM 0 HE2 HIS A 72 6.772 15.138 5.821 1.00 0.00 H new ATOM 1175 N GLY A 73 2.623 15.345 0.753 1.00 0.00 N ATOM 1176 CA GLY A 73 2.783 16.682 0.187 1.00 0.00 C ATOM 1177 C GLY A 73 1.632 17.595 0.597 1.00 0.00 C ATOM 1178 O GLY A 73 1.701 18.812 0.419 1.00 0.00 O ATOM 0 H GLY A 73 2.270 14.647 0.099 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.728 17.111 0.521 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.830 16.617 -0.900 1.00 0.00 H new ATOM 1182 N ARG A 74 0.578 17.000 1.151 1.00 0.00 N ATOM 1183 CA ARG A 74 -0.586 17.765 1.588 1.00 0.00 C ATOM 1184 C ARG A 74 -0.336 18.376 2.966 1.00 0.00 C ATOM 1185 O ARG A 74 0.651 18.053 3.628 1.00 0.00 O ATOM 1186 CB ARG A 74 -1.816 16.854 1.647 1.00 0.00 C ATOM 1187 CG ARG A 74 -2.471 16.783 0.264 1.00 0.00 C ATOM 1188 CD ARG A 74 -3.571 15.718 0.269 1.00 0.00 C ATOM 1189 NE ARG A 74 -4.285 15.730 -1.004 1.00 0.00 N ATOM 1190 CZ ARG A 74 -5.437 15.080 -1.161 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -5.951 14.400 -0.171 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -6.052 15.120 -2.310 1.00 0.00 N ATOM 0 H ARG A 74 0.506 15.995 1.307 1.00 0.00 H new ATOM 0 HA ARG A 74 -0.762 18.568 0.872 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.526 15.856 1.975 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.528 17.235 2.379 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.892 17.753 -0.000 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -1.723 16.544 -0.492 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.135 14.734 0.441 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.266 15.906 1.087 1.00 0.00 H new ATOM 0 HE ARG A 74 -3.893 16.248 -1.791 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.470 14.365 0.728 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.833 13.904 -0.297 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -5.651 15.648 -3.085 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -6.934 14.623 -2.434 1.00 0.00 H new ATOM 1206 N LEU A 75 -1.240 19.256 3.392 1.00 0.00 N ATOM 1207 CA LEU A 75 -1.112 19.903 4.696 1.00 0.00 C ATOM 1208 C LEU A 75 -1.640 18.980 5.793 1.00 0.00 C ATOM 1209 O LEU A 75 -2.432 19.392 6.643 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.892 21.227 4.705 1.00 0.00 C ATOM 1211 CG LEU A 75 -1.064 22.337 4.040 1.00 0.00 C ATOM 1212 CD1 LEU A 75 0.196 22.613 4.867 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -0.663 21.912 2.623 1.00 0.00 C ATOM 0 H LEU A 75 -2.063 19.536 2.858 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.059 20.110 4.885 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.838 21.104 4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.133 21.508 5.730 1.00 0.00 H new ATOM 0 HG LEU A 75 -1.667 23.244 3.987 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.779 23.401 4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.089 22.929 5.870 1.00 0.00 H new ATOM 0 HD13 LEU A 75 0.796 21.705 4.930 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -0.076 22.704 2.158 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -0.068 21.000 2.671 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -1.559 21.729 2.031 1.00 0.00 H new ATOM 1225 N GLU A 76 -1.193 17.726 5.764 1.00 0.00 N ATOM 1226 CA GLU A 76 -1.620 16.739 6.753 1.00 0.00 C ATOM 1227 C GLU A 76 -0.563 16.579 7.843 1.00 0.00 C ATOM 1228 O GLU A 76 -0.232 15.461 8.244 1.00 0.00 O ATOM 1229 CB GLU A 76 -1.890 15.384 6.075 1.00 0.00 C ATOM 1230 CG GLU A 76 -0.899 15.150 4.927 1.00 0.00 C ATOM 1231 CD GLU A 76 0.523 15.008 5.468 1.00 0.00 C ATOM 1232 OE1 GLU A 76 0.865 13.919 5.902 1.00 0.00 O ATOM 1233 OE2 GLU A 76 1.250 15.988 5.439 1.00 0.00 O ATOM 0 H GLU A 76 -0.537 17.370 5.068 1.00 0.00 H new ATOM 0 HA GLU A 76 -2.543 17.092 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -1.804 14.581 6.807 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -2.911 15.359 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -1.177 14.251 4.377 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -0.945 15.981 4.224 1.00 0.00 H new ATOM 1240 N HIS A 77 -0.041 17.708 8.321 1.00 0.00 N ATOM 1241 CA HIS A 77 0.974 17.695 9.371 1.00 0.00 C ATOM 1242 C HIS A 77 0.516 16.821 10.537 1.00 0.00 C ATOM 1243 O HIS A 77 -0.322 17.233 11.341 1.00 0.00 O ATOM 1244 CB HIS A 77 1.236 19.124 9.861 1.00 0.00 C ATOM 1245 CG HIS A 77 2.215 19.107 11.007 1.00 0.00 C ATOM 1246 ND1 HIS A 77 2.948 17.979 11.342 1.00 0.00 N ATOM 1247 CD2 HIS A 77 2.583 20.075 11.909 1.00 0.00 C ATOM 1248 CE1 HIS A 77 3.712 18.292 12.404 1.00 0.00 C ATOM 1249 NE2 HIS A 77 3.528 19.557 12.791 1.00 0.00 N ATOM 0 H HIS A 77 -0.304 18.639 7.999 1.00 0.00 H new ATOM 0 HA HIS A 77 1.897 17.282 8.963 1.00 0.00 H new ATOM 0 HB2 HIS A 77 1.630 19.730 9.045 1.00 0.00 H new ATOM 0 HB3 HIS A 77 0.301 19.585 10.178 1.00 0.00 H new ATOM 0 HD2 HIS A 77 2.198 21.084 11.931 1.00 0.00 H new ATOM 0 HE1 HIS A 77 4.391 17.604 12.885 1.00 0.00 H new ATOM 0 HE2 HIS A 77 3.982 20.040 13.566 1.00 0.00 H new ATOM 1258 N HIS A 78 1.067 15.609 10.612 1.00 0.00 N ATOM 1259 CA HIS A 78 0.712 14.668 11.672 1.00 0.00 C ATOM 1260 C HIS A 78 -0.788 14.375 11.650 1.00 0.00 C ATOM 1261 O HIS A 78 -1.504 14.815 10.749 1.00 0.00 O ATOM 1262 CB HIS A 78 1.116 15.236 13.038 1.00 0.00 C ATOM 1263 CG HIS A 78 2.584 14.998 13.268 1.00 0.00 C ATOM 1264 ND1 HIS A 78 3.127 14.900 14.539 1.00 0.00 N ATOM 1265 CD2 HIS A 78 3.636 14.835 12.398 1.00 0.00 C ATOM 1266 CE1 HIS A 78 4.449 14.688 14.401 1.00 0.00 C ATOM 1267 NE2 HIS A 78 4.811 14.639 13.116 1.00 0.00 N ATOM 0 H HIS A 78 1.760 15.257 9.952 1.00 0.00 H new ATOM 0 HA HIS A 78 1.250 13.736 11.501 1.00 0.00 H new ATOM 0 HB2 HIS A 78 0.899 16.304 13.078 1.00 0.00 H new ATOM 0 HB3 HIS A 78 0.532 14.763 13.827 1.00 0.00 H new ATOM 0 HD2 HIS A 78 3.561 14.856 11.321 1.00 0.00 H new ATOM 0 HE1 HIS A 78 5.134 14.572 15.228 1.00 0.00 H new ATOM 0 HE2 HIS A 78 5.748 14.490 12.742 1.00 0.00 H new ATOM 1276 N HIS A 79 -1.258 13.625 12.645 1.00 0.00 N ATOM 1277 CA HIS A 79 -2.673 13.278 12.728 1.00 0.00 C ATOM 1278 C HIS A 79 -3.511 14.500 13.103 1.00 0.00 C ATOM 1279 O HIS A 79 -2.989 15.608 13.232 1.00 0.00 O ATOM 1280 CB HIS A 79 -2.878 12.164 13.763 1.00 0.00 C ATOM 1281 CG HIS A 79 -2.634 12.698 15.152 1.00 0.00 C ATOM 1282 ND1 HIS A 79 -1.919 13.777 15.613 1.00 0.00 N flip ATOM 1283 CD2 HIS A 79 -3.168 12.092 16.277 1.00 0.00 C flip ATOM 1284 CE1 HIS A 79 -2.009 13.841 17.000 1.00 0.00 C flip ATOM 1285 NE2 HIS A 79 -2.772 12.803 17.349 1.00 0.00 N flip ATOM 0 H HIS A 79 -0.684 13.249 13.399 1.00 0.00 H new ATOM 0 HA HIS A 79 -2.999 12.925 11.750 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.892 11.770 13.689 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -2.199 11.337 13.558 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -3.790 11.209 16.291 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -1.558 14.573 17.654 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -3.024 12.576 18.311 1.00 0.00 H new ATOM 1294 N HIS A 80 -4.814 14.286 13.276 1.00 0.00 N ATOM 1295 CA HIS A 80 -5.721 15.371 13.636 1.00 0.00 C ATOM 1296 C HIS A 80 -6.985 14.812 14.286 1.00 0.00 C ATOM 1297 O HIS A 80 -8.035 14.721 13.649 1.00 0.00 O ATOM 1298 CB HIS A 80 -6.091 16.182 12.387 1.00 0.00 C ATOM 1299 CG HIS A 80 -6.726 17.483 12.798 1.00 0.00 C ATOM 1300 ND1 HIS A 80 -7.926 17.536 13.491 1.00 0.00 N ATOM 1301 CD2 HIS A 80 -6.336 18.788 12.626 1.00 0.00 C ATOM 1302 CE1 HIS A 80 -8.213 18.832 13.708 1.00 0.00 C ATOM 1303 NE2 HIS A 80 -7.276 19.638 13.201 1.00 0.00 N ATOM 0 H HIS A 80 -5.262 13.376 13.173 1.00 0.00 H new ATOM 0 HA HIS A 80 -5.218 16.024 14.350 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -5.200 16.374 11.789 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -6.778 15.612 11.762 1.00 0.00 H new ATOM 0 HD1 HIS A 80 -8.489 16.737 13.783 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -5.436 19.107 12.121 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -9.093 19.179 14.229 1.00 0.00 H new ATOM 1312 N HIS A 81 -6.868 14.443 15.562 1.00 0.00 N ATOM 1313 CA HIS A 81 -7.997 13.891 16.310 1.00 0.00 C ATOM 1314 C HIS A 81 -8.428 12.545 15.730 1.00 0.00 C ATOM 1315 O HIS A 81 -8.938 12.471 14.610 1.00 0.00 O ATOM 1316 CB HIS A 81 -9.179 14.864 16.287 1.00 0.00 C ATOM 1317 CG HIS A 81 -10.150 14.501 17.377 1.00 0.00 C ATOM 1318 ND1 HIS A 81 -10.040 15.005 18.664 1.00 0.00 N ATOM 1319 CD2 HIS A 81 -11.254 13.684 17.388 1.00 0.00 C ATOM 1320 CE1 HIS A 81 -11.052 14.493 19.388 1.00 0.00 C ATOM 1321 NE2 HIS A 81 -11.821 13.681 18.658 1.00 0.00 N ATOM 0 H HIS A 81 -6.004 14.516 16.098 1.00 0.00 H new ATOM 0 HA HIS A 81 -7.676 13.741 17.341 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -8.825 15.886 16.426 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -9.675 14.828 15.317 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -11.625 13.128 16.540 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -11.222 14.712 20.432 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -12.647 13.168 18.966 1.00 0.00 H new ATOM 1330 N HIS A 82 -8.222 11.486 16.505 1.00 0.00 N ATOM 1331 CA HIS A 82 -8.592 10.143 16.073 1.00 0.00 C ATOM 1332 C HIS A 82 -9.048 9.309 17.273 1.00 0.00 C ATOM 1333 O HIS A 82 -9.993 9.725 17.925 1.00 0.00 O ATOM 1334 CB HIS A 82 -7.395 9.479 15.375 1.00 0.00 C ATOM 1335 CG HIS A 82 -7.860 8.292 14.574 1.00 0.00 C ATOM 1336 ND1 HIS A 82 -9.163 7.820 14.628 1.00 0.00 N ATOM 1337 CD2 HIS A 82 -7.204 7.471 13.689 1.00 0.00 C ATOM 1338 CE1 HIS A 82 -9.248 6.765 13.798 1.00 0.00 C ATOM 1339 NE2 HIS A 82 -8.082 6.510 13.201 1.00 0.00 N ATOM 1340 OXT HIS A 82 -8.452 8.274 17.529 1.00 0.00 O ATOM 0 H HIS A 82 -7.802 11.531 17.433 1.00 0.00 H new ATOM 0 HA HIS A 82 -9.420 10.206 15.367 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -6.900 10.198 14.722 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -6.661 9.163 16.116 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -6.163 7.559 13.414 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -10.150 6.194 13.635 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -7.879 5.769 12.530 1.00 0.00 H new TER 1349 HIS A 82