USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=30 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 56 THR OG1 : rot 180:sc= 0.647 USER MOD Set 1.2: A 59 THR OG1 : rot 120:sc= 1.23 USER MOD Set 2.1: A 32 SER OG : rot -46:sc= 0.277 USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= 0.428 USER MOD Set 3.1: A 31 HIS : no HD1:sc= -1.55 K(o=-1.1,f=-4.5) USER MOD Set 3.2: A 35 LYS NZ :NH3+ -122:sc= 0.467 (180deg=0) USER MOD Set 4.1: A 13 HIS : no HE2:sc= -1.46 K(o=-4.7,f=-7!) USER MOD Set 4.2: A 21 SER OG : rot -92:sc= -2.66! USER MOD Set 4.3: A 25 ASN :FLIP amide:sc= -0.61 F(o=-5.7!,f=-4.7) USER MOD Set 5.1: A 7 TYR OH : rot 109:sc= 1.45 USER MOD Set 5.2: A 11 TYR OH : rot -4:sc= 1.15 USER MOD Set 6.1: A 1 MET N :NH3+ -113:sc= 0.161 (180deg=-0.151) USER MOD Set 6.2: A 77 HIS :FLIP no HD1:sc= 0.126 F(o=-0.31,f=0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -142:sc= -0.0539 (180deg=-0.663) USER MOD Single : A 3 SER OG : rot 170:sc= -0.133 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.84! C(o=-1.8!,f=-4.4!) USER MOD Single : A 10 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0284) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -0.104 X(o=-0.1,f=-0.51) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 THR OG1 : rot -59:sc= 0.781 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 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= -0.379! C(o=-0.38!,f=-4.2!) USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= 0.724 F(o=-0.8,f=0.72) USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00981 USER MOD Single : A 55 HIS : no HD1:sc= -0.691 X(o=-0.69,f=-0.51) USER MOD Single : A 57 MET CE :methyl -152:sc= -0.709 (180deg=-3.82!) USER MOD Single : A 66 GLN : amide:sc= -0.0316 K(o=-0.032,f=-2.6!) USER MOD Single : A 67 TYR OH : rot 61:sc= 1.02 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.41 X(o=-0.41,f=-0.69) USER MOD Single : A 78 HIS : no HD1:sc= -0.973 K(o=-0.97,f=-2!) USER MOD Single : A 79 HIS : no HD1:sc= -0.081 X(o=-0.081,f=0) USER MOD Single : A 80 HIS : no HD1:sc= -0.805 K(o=-0.8,f=-2.1) USER MOD Single : A 81 HIS : no HD1:sc= -0.394 X(o=-0.39,f=-0.26) USER MOD Single : A 82 HIS : no HD1:sc= -0.907 K(o=-0.91,f=-1.7!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.205 9.940 6.467 1.00 0.00 N ATOM 2 CA MET A 1 -2.698 8.623 5.986 1.00 0.00 C ATOM 3 C MET A 1 -3.880 7.707 5.683 1.00 0.00 C ATOM 4 O MET A 1 -4.337 6.958 6.548 1.00 0.00 O ATOM 5 CB MET A 1 -1.805 7.995 7.061 1.00 0.00 C ATOM 6 CG MET A 1 -0.464 8.730 7.107 1.00 0.00 C ATOM 7 SD MET A 1 0.560 8.032 8.426 1.00 0.00 S ATOM 8 CE MET A 1 1.641 9.464 8.662 1.00 0.00 C ATOM 0 H1 MET A 1 -2.980 10.675 5.767 1.00 0.00 H new ATOM 0 H2 MET A 1 -4.236 9.889 6.597 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.753 10.176 7.373 1.00 0.00 H new ATOM 0 HA MET A 1 -2.113 8.763 5.077 1.00 0.00 H new ATOM 0 HB2 MET A 1 -2.295 8.050 8.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 -1.645 6.939 6.844 1.00 0.00 H new ATOM 0 HG2 MET A 1 0.046 8.638 6.148 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.626 9.794 7.282 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.365 9.248 9.447 1.00 0.00 H new ATOM 0 HE2 MET A 1 2.167 9.680 7.732 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.042 10.328 8.949 1.00 0.00 H new ATOM 20 N LYS A 2 -4.368 7.773 4.447 1.00 0.00 N ATOM 21 CA LYS A 2 -5.498 6.946 4.030 1.00 0.00 C ATOM 22 C LYS A 2 -5.108 5.470 4.014 1.00 0.00 C ATOM 23 O LYS A 2 -3.932 5.128 4.134 1.00 0.00 O ATOM 24 CB LYS A 2 -5.974 7.373 2.636 1.00 0.00 C ATOM 25 CG LYS A 2 -4.808 7.306 1.639 1.00 0.00 C ATOM 26 CD LYS A 2 -4.240 8.711 1.406 1.00 0.00 C ATOM 27 CE LYS A 2 -5.031 9.412 0.298 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.403 10.732 -0.001 1.00 0.00 N ATOM 0 H LYS A 2 -4.001 8.387 3.720 1.00 0.00 H new ATOM 0 HA LYS A 2 -6.309 7.084 4.745 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -6.784 6.723 2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -6.373 8.387 2.674 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -4.028 6.648 2.022 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.149 6.881 0.695 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -4.293 9.292 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -3.188 8.647 1.130 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.047 8.793 -0.599 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -6.067 9.552 0.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -5.146 11.434 -0.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.838 11.040 0.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.787 10.643 -0.834 1.00 0.00 H new ATOM 42 N SER A 3 -6.106 4.600 3.864 1.00 0.00 N ATOM 43 CA SER A 3 -5.856 3.162 3.832 1.00 0.00 C ATOM 44 C SER A 3 -4.899 2.811 2.696 1.00 0.00 C ATOM 45 O SER A 3 -5.165 3.118 1.533 1.00 0.00 O ATOM 46 CB SER A 3 -7.176 2.411 3.647 1.00 0.00 C ATOM 47 OG SER A 3 -7.822 2.276 4.906 1.00 0.00 O ATOM 0 H SER A 3 -7.086 4.864 3.764 1.00 0.00 H new ATOM 0 HA SER A 3 -5.400 2.866 4.777 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.819 2.950 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 3 -6.991 1.428 3.214 1.00 0.00 H new ATOM 0 HG SER A 3 -8.734 1.943 4.772 1.00 0.00 H new ATOM 53 N PHE A 4 -3.786 2.169 3.045 1.00 0.00 N ATOM 54 CA PHE A 4 -2.789 1.778 2.051 1.00 0.00 C ATOM 55 C PHE A 4 -3.429 0.944 0.944 1.00 0.00 C ATOM 56 O PHE A 4 -3.149 1.146 -0.237 1.00 0.00 O ATOM 57 CB PHE A 4 -1.671 0.974 2.724 1.00 0.00 C ATOM 58 CG PHE A 4 -0.588 0.663 1.713 1.00 0.00 C ATOM 59 CD1 PHE A 4 0.399 1.615 1.429 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.574 -0.575 1.060 1.00 0.00 C ATOM 61 CE1 PHE A 4 1.400 1.328 0.493 1.00 0.00 C ATOM 62 CE2 PHE A 4 0.427 -0.863 0.125 1.00 0.00 C ATOM 63 CZ PHE A 4 1.413 0.089 -0.159 1.00 0.00 C ATOM 0 H PHE A 4 -3.553 1.910 4.003 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.370 2.681 1.608 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -1.253 1.540 3.557 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.073 0.049 3.137 1.00 0.00 H new ATOM 0 HD1 PHE A 4 0.388 2.571 1.932 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.336 -1.309 1.278 1.00 0.00 H new ATOM 0 HE1 PHE A 4 2.162 2.062 0.274 1.00 0.00 H new ATOM 0 HE2 PHE A 4 0.439 -1.819 -0.377 1.00 0.00 H new ATOM 0 HZ PHE A 4 2.184 -0.132 -0.882 1.00 0.00 H new ATOM 73 N TYR A 5 -4.290 0.009 1.337 1.00 0.00 N ATOM 74 CA TYR A 5 -4.969 -0.854 0.375 1.00 0.00 C ATOM 75 C TYR A 5 -5.766 -0.023 -0.628 1.00 0.00 C ATOM 76 O TYR A 5 -5.745 -0.296 -1.829 1.00 0.00 O ATOM 77 CB TYR A 5 -5.911 -1.815 1.109 1.00 0.00 C ATOM 78 CG TYR A 5 -6.769 -2.555 0.106 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.173 -3.412 -0.828 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.159 -2.383 0.109 1.00 0.00 C ATOM 81 CE1 TYR A 5 -6.966 -4.094 -1.758 1.00 0.00 C ATOM 82 CE2 TYR A 5 -8.952 -3.066 -0.821 1.00 0.00 C ATOM 83 CZ TYR A 5 -8.355 -3.920 -1.754 1.00 0.00 C ATOM 84 OH TYR A 5 -9.137 -4.592 -2.672 1.00 0.00 O ATOM 0 H TYR A 5 -4.533 -0.170 2.311 1.00 0.00 H new ATOM 0 HA TYR A 5 -4.214 -1.425 -0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -5.333 -2.525 1.701 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -6.543 -1.261 1.803 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.101 -3.547 -0.831 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.619 -1.723 0.829 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -6.506 -4.754 -2.479 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.024 -2.934 -0.818 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.079 -4.360 -2.531 1.00 0.00 H new ATOM 94 N HIS A 6 -6.468 0.988 -0.125 1.00 0.00 N ATOM 95 CA HIS A 6 -7.276 1.853 -0.980 1.00 0.00 C ATOM 96 C HIS A 6 -6.391 2.675 -1.903 1.00 0.00 C ATOM 97 O HIS A 6 -6.617 2.722 -3.112 1.00 0.00 O ATOM 98 CB HIS A 6 -8.101 2.810 -0.136 1.00 0.00 C ATOM 99 CG HIS A 6 -9.012 2.045 0.793 1.00 0.00 C ATOM 100 ND1 HIS A 6 -8.749 0.743 1.192 1.00 0.00 N ATOM 101 CD2 HIS A 6 -10.187 2.395 1.413 1.00 0.00 C ATOM 102 CE1 HIS A 6 -9.742 0.363 2.016 1.00 0.00 C ATOM 103 NE2 HIS A 6 -10.644 1.332 2.185 1.00 0.00 N ATOM 0 H HIS A 6 -6.494 1.228 0.866 1.00 0.00 H new ATOM 0 HA HIS A 6 -7.932 1.213 -1.571 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -7.440 3.455 0.443 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -8.693 3.458 -0.783 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.681 3.351 1.316 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -9.802 -0.608 2.484 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.488 1.300 2.757 1.00 0.00 H new ATOM 112 N TYR A 7 -5.378 3.319 -1.327 1.00 0.00 N ATOM 113 CA TYR A 7 -4.465 4.125 -2.124 1.00 0.00 C ATOM 114 C TYR A 7 -3.906 3.245 -3.225 1.00 0.00 C ATOM 115 O TYR A 7 -4.005 3.566 -4.409 1.00 0.00 O ATOM 116 CB TYR A 7 -3.333 4.661 -1.239 1.00 0.00 C ATOM 117 CG TYR A 7 -2.202 5.182 -2.101 1.00 0.00 C ATOM 118 CD1 TYR A 7 -1.181 4.317 -2.517 1.00 0.00 C ATOM 119 CD2 TYR A 7 -2.171 6.531 -2.477 1.00 0.00 C ATOM 120 CE1 TYR A 7 -0.133 4.800 -3.310 1.00 0.00 C ATOM 121 CE2 TYR A 7 -1.123 7.013 -3.270 1.00 0.00 C ATOM 122 CZ TYR A 7 -0.104 6.147 -3.686 1.00 0.00 C ATOM 123 OH TYR A 7 0.930 6.621 -4.467 1.00 0.00 O ATOM 0 H TYR A 7 -5.173 3.298 -0.328 1.00 0.00 H new ATOM 0 HA TYR A 7 -4.987 4.978 -2.557 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -3.709 5.458 -0.597 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -2.967 3.870 -0.584 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -1.202 3.277 -2.226 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.956 7.199 -2.155 1.00 0.00 H new ATOM 0 HE1 TYR A 7 0.653 4.133 -3.631 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -1.100 8.053 -3.561 1.00 0.00 H new ATOM 0 HH TYR A 7 0.597 6.817 -5.367 1.00 0.00 H new ATOM 133 N LEU A 8 -3.357 2.110 -2.812 1.00 0.00 N ATOM 134 CA LEU A 8 -2.820 1.144 -3.751 1.00 0.00 C ATOM 135 C LEU A 8 -3.906 0.725 -4.741 1.00 0.00 C ATOM 136 O LEU A 8 -3.608 0.357 -5.878 1.00 0.00 O ATOM 137 CB LEU A 8 -2.303 -0.083 -2.994 1.00 0.00 C ATOM 138 CG LEU A 8 -1.319 -0.863 -3.873 1.00 0.00 C ATOM 139 CD1 LEU A 8 0.077 -0.241 -3.762 1.00 0.00 C ATOM 140 CD2 LEU A 8 -1.265 -2.321 -3.406 1.00 0.00 C ATOM 0 H LEU A 8 -3.274 1.839 -1.832 1.00 0.00 H new ATOM 0 HA LEU A 8 -1.995 1.598 -4.299 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -1.812 0.228 -2.072 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -3.138 -0.724 -2.710 1.00 0.00 H new ATOM 0 HG LEU A 8 -1.651 -0.823 -4.910 1.00 0.00 H new ATOM 0 HD11 LEU A 8 0.774 -0.798 -4.388 1.00 0.00 H new ATOM 0 HD12 LEU A 8 0.040 0.797 -4.094 1.00 0.00 H new ATOM 0 HD13 LEU A 8 0.411 -0.279 -2.725 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -0.566 -2.877 -4.030 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -0.934 -2.359 -2.368 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -2.257 -2.766 -3.487 1.00 0.00 H new ATOM 152 N LEU A 9 -5.172 0.777 -4.300 1.00 0.00 N ATOM 153 CA LEU A 9 -6.282 0.393 -5.172 1.00 0.00 C ATOM 154 C LEU A 9 -6.346 1.294 -6.402 1.00 0.00 C ATOM 155 O LEU A 9 -6.747 0.859 -7.477 1.00 0.00 O ATOM 156 CB LEU A 9 -7.610 0.458 -4.408 1.00 0.00 C ATOM 157 CG LEU A 9 -8.442 -0.797 -4.706 1.00 0.00 C ATOM 158 CD1 LEU A 9 -9.695 -0.797 -3.825 1.00 0.00 C ATOM 159 CD2 LEU A 9 -8.855 -0.805 -6.183 1.00 0.00 C ATOM 0 H LEU A 9 -5.445 1.075 -3.364 1.00 0.00 H new ATOM 0 HA LEU A 9 -6.111 -0.632 -5.502 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -7.421 0.535 -3.337 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -8.164 1.351 -4.698 1.00 0.00 H new ATOM 0 HG LEU A 9 -7.846 -1.685 -4.494 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.287 -1.688 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -9.402 -0.796 -2.775 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -10.289 0.092 -4.037 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -9.445 -1.697 -6.391 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -9.450 0.082 -6.399 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -7.963 -0.806 -6.810 1.00 0.00 H new ATOM 171 N LYS A 10 -5.953 2.552 -6.234 1.00 0.00 N ATOM 172 CA LYS A 10 -5.973 3.509 -7.337 1.00 0.00 C ATOM 173 C LYS A 10 -4.810 3.261 -8.299 1.00 0.00 C ATOM 174 O LYS A 10 -4.812 3.755 -9.428 1.00 0.00 O ATOM 175 CB LYS A 10 -5.890 4.938 -6.787 1.00 0.00 C ATOM 176 CG LYS A 10 -5.891 5.942 -7.945 1.00 0.00 C ATOM 177 CD LYS A 10 -6.249 7.335 -7.420 1.00 0.00 C ATOM 178 CE LYS A 10 -5.922 8.386 -8.483 1.00 0.00 C ATOM 179 NZ LYS A 10 -6.854 8.236 -9.636 1.00 0.00 N ATOM 0 H LYS A 10 -5.618 2.933 -5.349 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.907 3.380 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.734 5.132 -6.125 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.984 5.056 -6.192 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -4.911 5.963 -8.421 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.609 5.634 -8.706 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -7.308 7.378 -7.166 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.694 7.543 -6.506 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.010 9.386 -8.059 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -4.891 8.271 -8.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -6.687 9.002 -10.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.690 7.319 -10.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -7.836 8.282 -9.297 1.00 0.00 H new ATOM 193 N TYR A 11 -3.812 2.509 -7.841 1.00 0.00 N ATOM 194 CA TYR A 11 -2.641 2.222 -8.660 1.00 0.00 C ATOM 195 C TYR A 11 -2.796 0.907 -9.418 1.00 0.00 C ATOM 196 O TYR A 11 -1.818 0.184 -9.621 1.00 0.00 O ATOM 197 CB TYR A 11 -1.385 2.176 -7.782 1.00 0.00 C ATOM 198 CG TYR A 11 -0.866 3.582 -7.586 1.00 0.00 C ATOM 199 CD1 TYR A 11 -1.624 4.518 -6.871 1.00 0.00 C ATOM 200 CD2 TYR A 11 0.370 3.952 -8.130 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.145 5.821 -6.701 1.00 0.00 C ATOM 202 CE2 TYR A 11 0.847 5.256 -7.961 1.00 0.00 C ATOM 203 CZ TYR A 11 0.090 6.190 -7.245 1.00 0.00 C ATOM 204 OH TYR A 11 0.561 7.476 -7.080 1.00 0.00 O ATOM 0 H TYR A 11 -3.792 2.090 -6.911 1.00 0.00 H new ATOM 0 HA TYR A 11 -2.542 3.022 -9.394 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -1.617 1.723 -6.818 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.621 1.555 -8.251 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.578 4.234 -6.451 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.955 3.230 -8.680 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.729 6.543 -6.149 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.799 5.542 -8.383 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.112 8.013 -6.612 1.00 0.00 H new ATOM 214 N ARG A 12 -4.019 0.606 -9.856 1.00 0.00 N ATOM 215 CA ARG A 12 -4.252 -0.624 -10.613 1.00 0.00 C ATOM 216 C ARG A 12 -3.312 -0.666 -11.808 1.00 0.00 C ATOM 217 O ARG A 12 -2.678 0.335 -12.147 1.00 0.00 O ATOM 218 CB ARG A 12 -5.698 -0.715 -11.127 1.00 0.00 C ATOM 219 CG ARG A 12 -6.659 -0.056 -10.134 1.00 0.00 C ATOM 220 CD ARG A 12 -8.106 -0.342 -10.545 1.00 0.00 C ATOM 221 NE ARG A 12 -8.357 0.149 -11.898 1.00 0.00 N ATOM 222 CZ ARG A 12 -9.589 0.438 -12.316 1.00 0.00 C ATOM 223 NH1 ARG A 12 -10.609 0.282 -11.517 1.00 0.00 N ATOM 224 NH2 ARG A 12 -9.777 0.877 -13.529 1.00 0.00 N ATOM 0 H ARG A 12 -4.847 1.182 -9.704 1.00 0.00 H new ATOM 0 HA ARG A 12 -4.070 -1.464 -9.942 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.777 -0.227 -12.098 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.974 -1.759 -11.272 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -6.475 -0.436 -9.129 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.485 1.020 -10.105 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.299 -1.414 -10.498 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.791 0.136 -9.845 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.572 0.273 -12.537 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -10.465 -0.063 -10.568 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -11.550 0.505 -11.842 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.982 0.999 -14.156 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -10.719 1.099 -13.851 1.00 0.00 H new ATOM 238 N HIS A 13 -3.231 -1.818 -12.449 1.00 0.00 N ATOM 239 CA HIS A 13 -2.369 -1.961 -13.608 1.00 0.00 C ATOM 240 C HIS A 13 -2.725 -3.222 -14.383 1.00 0.00 C ATOM 241 O HIS A 13 -1.881 -4.096 -14.592 1.00 0.00 O ATOM 242 CB HIS A 13 -0.903 -2.011 -13.170 1.00 0.00 C ATOM 243 CG HIS A 13 -0.034 -1.476 -14.275 1.00 0.00 C ATOM 244 ND1 HIS A 13 0.451 -0.178 -14.270 1.00 0.00 N ATOM 245 CD2 HIS A 13 0.446 -2.051 -15.426 1.00 0.00 C ATOM 246 CE1 HIS A 13 1.186 -0.016 -15.384 1.00 0.00 C ATOM 247 NE2 HIS A 13 1.215 -1.127 -16.124 1.00 0.00 N ATOM 0 H HIS A 13 -3.746 -2.660 -12.190 1.00 0.00 H new ATOM 0 HA HIS A 13 -2.516 -1.099 -14.259 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -0.762 -1.422 -12.264 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -0.618 -3.036 -12.932 1.00 0.00 H new ATOM 0 HD1 HIS A 13 0.281 0.526 -13.552 1.00 0.00 H new ATOM 0 HD2 HIS A 13 0.255 -3.066 -15.741 1.00 0.00 H new ATOM 0 HE1 HIS A 13 1.691 0.901 -15.648 1.00 0.00 H new ATOM 256 N PRO A 14 -3.954 -3.319 -14.824 1.00 0.00 N ATOM 257 CA PRO A 14 -4.432 -4.485 -15.614 1.00 0.00 C ATOM 258 C PRO A 14 -3.371 -4.912 -16.626 1.00 0.00 C ATOM 259 O PRO A 14 -2.714 -4.063 -17.232 1.00 0.00 O ATOM 260 CB PRO A 14 -5.696 -3.950 -16.285 1.00 0.00 C ATOM 261 CG PRO A 14 -6.228 -2.915 -15.349 1.00 0.00 C ATOM 262 CD PRO A 14 -5.023 -2.324 -14.618 1.00 0.00 C ATOM 0 HA PRO A 14 -4.629 -5.377 -15.019 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -5.472 -3.520 -17.261 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -6.423 -4.746 -16.447 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -6.768 -2.141 -15.894 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.931 -3.357 -14.643 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.747 -1.352 -15.026 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -5.232 -2.177 -13.558 1.00 0.00 H new ATOM 270 N LYS A 15 -3.165 -6.221 -16.764 1.00 0.00 N ATOM 271 CA LYS A 15 -2.129 -6.732 -17.660 1.00 0.00 C ATOM 272 C LYS A 15 -0.766 -6.294 -17.117 1.00 0.00 C ATOM 273 O LYS A 15 0.017 -5.642 -17.809 1.00 0.00 O ATOM 274 CB LYS A 15 -2.325 -6.207 -19.092 1.00 0.00 C ATOM 275 CG LYS A 15 -3.728 -6.572 -19.596 1.00 0.00 C ATOM 276 CD LYS A 15 -3.715 -7.984 -20.191 1.00 0.00 C ATOM 277 CE LYS A 15 -5.068 -8.281 -20.845 1.00 0.00 C ATOM 278 NZ LYS A 15 -5.997 -8.855 -19.830 1.00 0.00 N ATOM 0 H LYS A 15 -3.696 -6.940 -16.273 1.00 0.00 H new ATOM 0 HA LYS A 15 -2.189 -7.820 -17.700 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.192 -5.125 -19.113 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.570 -6.634 -19.752 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.444 -6.520 -18.776 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -4.052 -5.853 -20.349 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.917 -8.071 -20.928 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -3.509 -8.716 -19.410 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.490 -7.367 -21.264 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.939 -8.980 -21.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -6.915 -9.056 -20.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.595 -9.736 -19.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -6.129 -8.173 -19.056 1.00 0.00 H new ATOM 292 N PRO A 16 -0.509 -6.617 -15.868 1.00 0.00 N ATOM 293 CA PRO A 16 0.743 -6.248 -15.146 1.00 0.00 C ATOM 294 C PRO A 16 2.001 -6.262 -16.016 1.00 0.00 C ATOM 295 O PRO A 16 2.109 -7.034 -16.969 1.00 0.00 O ATOM 296 CB PRO A 16 0.849 -7.299 -14.039 1.00 0.00 C ATOM 297 CG PRO A 16 -0.535 -7.829 -13.818 1.00 0.00 C ATOM 298 CD PRO A 16 -1.409 -7.387 -14.996 1.00 0.00 C ATOM 0 HA PRO A 16 0.686 -5.220 -14.787 1.00 0.00 H new ATOM 0 HB2 PRO A 16 1.529 -8.100 -14.329 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.246 -6.859 -13.124 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.519 -8.916 -13.744 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -0.942 -7.451 -12.880 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.828 -8.246 -15.521 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.248 -6.779 -14.659 1.00 0.00 H new ATOM 306 N LYS A 17 2.954 -5.403 -15.652 1.00 0.00 N ATOM 307 CA LYS A 17 4.220 -5.311 -16.371 1.00 0.00 C ATOM 308 C LYS A 17 5.328 -4.827 -15.432 1.00 0.00 C ATOM 309 O LYS A 17 6.414 -5.407 -15.391 1.00 0.00 O ATOM 310 CB LYS A 17 4.086 -4.359 -17.570 1.00 0.00 C ATOM 311 CG LYS A 17 3.919 -2.911 -17.085 1.00 0.00 C ATOM 312 CD LYS A 17 3.512 -2.014 -18.260 1.00 0.00 C ATOM 313 CE LYS A 17 4.544 -2.134 -19.386 1.00 0.00 C ATOM 314 NZ LYS A 17 4.468 -0.931 -20.263 1.00 0.00 N ATOM 0 H LYS A 17 2.871 -4.762 -14.863 1.00 0.00 H new ATOM 0 HA LYS A 17 4.483 -6.302 -16.741 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.968 -4.437 -18.206 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.228 -4.647 -18.178 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.163 -2.865 -16.301 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.852 -2.554 -16.649 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.526 -2.302 -18.625 1.00 0.00 H new ATOM 0 HD3 LYS A 17 3.439 -0.978 -17.930 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.546 -2.228 -18.967 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.357 -3.035 -19.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 5.169 -1.013 -21.027 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.515 -0.860 -20.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 4.667 -0.079 -19.701 1.00 0.00 H new ATOM 328 N ASP A 18 5.042 -3.765 -14.677 1.00 0.00 N ATOM 329 CA ASP A 18 6.014 -3.212 -13.735 1.00 0.00 C ATOM 330 C ASP A 18 5.964 -3.967 -12.406 1.00 0.00 C ATOM 331 O ASP A 18 4.953 -4.584 -12.074 1.00 0.00 O ATOM 332 CB ASP A 18 5.724 -1.727 -13.498 1.00 0.00 C ATOM 333 CG ASP A 18 6.780 -1.128 -12.573 1.00 0.00 C ATOM 334 OD1 ASP A 18 7.906 -0.969 -13.015 1.00 0.00 O ATOM 335 OD2 ASP A 18 6.447 -0.836 -11.437 1.00 0.00 O ATOM 0 H ASP A 18 4.149 -3.273 -14.700 1.00 0.00 H new ATOM 0 HA ASP A 18 7.011 -3.322 -14.162 1.00 0.00 H new ATOM 0 HB2 ASP A 18 5.717 -1.194 -14.449 1.00 0.00 H new ATOM 0 HB3 ASP A 18 4.734 -1.607 -13.058 1.00 0.00 H new ATOM 340 N SER A 19 7.061 -3.911 -11.651 1.00 0.00 N ATOM 341 CA SER A 19 7.130 -4.591 -10.361 1.00 0.00 C ATOM 342 C SER A 19 6.015 -4.111 -9.436 1.00 0.00 C ATOM 343 O SER A 19 5.335 -4.917 -8.798 1.00 0.00 O ATOM 344 CB SER A 19 8.487 -4.326 -9.708 1.00 0.00 C ATOM 345 OG SER A 19 9.465 -5.179 -10.290 1.00 0.00 O ATOM 0 H SER A 19 7.908 -3.405 -11.909 1.00 0.00 H new ATOM 0 HA SER A 19 7.007 -5.661 -10.529 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.771 -3.283 -9.844 1.00 0.00 H new ATOM 0 HB3 SER A 19 8.427 -4.503 -8.634 1.00 0.00 H new ATOM 0 HG SER A 19 10.336 -5.010 -9.874 1.00 0.00 H new ATOM 351 N ILE A 20 5.828 -2.794 -9.378 1.00 0.00 N ATOM 352 CA ILE A 20 4.785 -2.214 -8.537 1.00 0.00 C ATOM 353 C ILE A 20 3.411 -2.623 -9.058 1.00 0.00 C ATOM 354 O ILE A 20 2.476 -2.830 -8.284 1.00 0.00 O ATOM 355 CB ILE A 20 4.923 -0.680 -8.508 1.00 0.00 C ATOM 356 CG1 ILE A 20 4.824 -0.189 -7.060 1.00 0.00 C ATOM 357 CG2 ILE A 20 3.816 -0.022 -9.344 1.00 0.00 C ATOM 358 CD1 ILE A 20 5.149 1.305 -6.997 1.00 0.00 C ATOM 0 H ILE A 20 6.381 -2.113 -9.899 1.00 0.00 H new ATOM 0 HA ILE A 20 4.895 -2.588 -7.519 1.00 0.00 H new ATOM 0 HB ILE A 20 5.890 -0.407 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.821 -0.369 -6.673 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.515 -0.748 -6.429 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.931 1.061 -9.311 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.888 -0.363 -10.377 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.842 -0.296 -8.939 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.077 1.650 -5.965 1.00 0.00 H new ATOM 0 HD12 ILE A 20 6.161 1.473 -7.366 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.441 1.858 -7.614 1.00 0.00 H new ATOM 370 N SER A 21 3.305 -2.733 -10.379 1.00 0.00 N ATOM 371 CA SER A 21 2.052 -3.114 -11.014 1.00 0.00 C ATOM 372 C SER A 21 1.630 -4.510 -10.556 1.00 0.00 C ATOM 373 O SER A 21 0.472 -4.731 -10.201 1.00 0.00 O ATOM 374 CB SER A 21 2.219 -3.088 -12.534 1.00 0.00 C ATOM 375 OG SER A 21 1.381 -4.071 -13.120 1.00 0.00 O ATOM 0 H SER A 21 4.073 -2.563 -11.029 1.00 0.00 H new ATOM 0 HA SER A 21 1.276 -2.405 -10.726 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.965 -2.101 -12.921 1.00 0.00 H new ATOM 0 HB3 SER A 21 3.259 -3.277 -12.799 1.00 0.00 H new ATOM 0 HG SER A 21 1.880 -4.908 -13.222 1.00 0.00 H new ATOM 381 N GLU A 22 2.582 -5.442 -10.557 1.00 0.00 N ATOM 382 CA GLU A 22 2.303 -6.810 -10.130 1.00 0.00 C ATOM 383 C GLU A 22 1.831 -6.814 -8.680 1.00 0.00 C ATOM 384 O GLU A 22 0.874 -7.505 -8.327 1.00 0.00 O ATOM 385 CB GLU A 22 3.559 -7.679 -10.261 1.00 0.00 C ATOM 386 CG GLU A 22 4.181 -7.490 -11.649 1.00 0.00 C ATOM 387 CD GLU A 22 4.725 -8.820 -12.165 1.00 0.00 C ATOM 388 OE1 GLU A 22 3.939 -9.601 -12.676 1.00 0.00 O ATOM 389 OE2 GLU A 22 5.919 -9.037 -12.041 1.00 0.00 O ATOM 0 H GLU A 22 3.546 -5.276 -10.847 1.00 0.00 H new ATOM 0 HA GLU A 22 1.521 -7.220 -10.769 1.00 0.00 H new ATOM 0 HB2 GLU A 22 4.280 -7.409 -9.490 1.00 0.00 H new ATOM 0 HB3 GLU A 22 3.304 -8.728 -10.107 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.434 -7.101 -12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 22 4.984 -6.754 -11.599 1.00 0.00 H new ATOM 396 N PHE A 23 2.511 -6.027 -7.848 1.00 0.00 N ATOM 397 CA PHE A 23 2.161 -5.928 -6.436 1.00 0.00 C ATOM 398 C PHE A 23 0.749 -5.371 -6.279 1.00 0.00 C ATOM 399 O PHE A 23 -0.085 -5.951 -5.583 1.00 0.00 O ATOM 400 CB PHE A 23 3.162 -5.015 -5.718 1.00 0.00 C ATOM 401 CG PHE A 23 2.922 -5.064 -4.225 1.00 0.00 C ATOM 402 CD1 PHE A 23 3.127 -6.256 -3.519 1.00 0.00 C ATOM 403 CD2 PHE A 23 2.499 -3.912 -3.547 1.00 0.00 C ATOM 404 CE1 PHE A 23 2.908 -6.298 -2.137 1.00 0.00 C ATOM 405 CE2 PHE A 23 2.281 -3.955 -2.165 1.00 0.00 C ATOM 406 CZ PHE A 23 2.485 -5.147 -1.460 1.00 0.00 C ATOM 0 H PHE A 23 3.305 -5.451 -8.128 1.00 0.00 H new ATOM 0 HA PHE A 23 2.197 -6.923 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 23 4.181 -5.330 -5.942 1.00 0.00 H new ATOM 0 HB3 PHE A 23 3.058 -3.992 -6.079 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.454 -7.143 -4.041 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.341 -2.992 -4.091 1.00 0.00 H new ATOM 0 HE1 PHE A 23 3.065 -7.218 -1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 23 1.955 -3.068 -1.642 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.316 -5.179 -0.394 1.00 0.00 H new ATOM 416 N ALA A 24 0.490 -4.242 -6.937 1.00 0.00 N ATOM 417 CA ALA A 24 -0.823 -3.609 -6.874 1.00 0.00 C ATOM 418 C ALA A 24 -1.917 -4.598 -7.267 1.00 0.00 C ATOM 419 O ALA A 24 -2.911 -4.756 -6.556 1.00 0.00 O ATOM 420 CB ALA A 24 -0.858 -2.405 -7.816 1.00 0.00 C ATOM 0 H ALA A 24 1.170 -3.750 -7.517 1.00 0.00 H new ATOM 0 HA ALA A 24 -1.002 -3.280 -5.850 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -1.840 -1.934 -7.768 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -0.095 -1.686 -7.517 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -0.664 -2.736 -8.836 1.00 0.00 H new ATOM 426 N ASN A 25 -1.723 -5.262 -8.404 1.00 0.00 N ATOM 427 CA ASN A 25 -2.691 -6.240 -8.894 1.00 0.00 C ATOM 428 C ASN A 25 -2.869 -7.381 -7.894 1.00 0.00 C ATOM 429 O ASN A 25 -3.969 -7.912 -7.736 1.00 0.00 O ATOM 430 CB ASN A 25 -2.226 -6.800 -10.242 1.00 0.00 C ATOM 431 CG ASN A 25 -2.570 -5.820 -11.362 1.00 0.00 C ATOM 432 OD1 ASN A 25 -1.616 -5.332 -12.107 1.00 0.00 O flip ATOM 433 ND2 ASN A 25 -3.739 -5.493 -11.566 1.00 0.00 N flip ATOM 0 H ASN A 25 -0.906 -5.141 -9.002 1.00 0.00 H new ATOM 0 HA ASN A 25 -3.651 -5.739 -9.018 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -1.151 -6.977 -10.220 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -2.704 -7.762 -10.430 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -4.484 -5.875 -10.984 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -3.962 -4.840 -12.317 1.00 0.00 H new ATOM 440 N GLN A 26 -1.781 -7.752 -7.222 1.00 0.00 N ATOM 441 CA GLN A 26 -1.825 -8.833 -6.239 1.00 0.00 C ATOM 442 C GLN A 26 -2.760 -8.475 -5.087 1.00 0.00 C ATOM 443 O GLN A 26 -3.609 -9.277 -4.695 1.00 0.00 O ATOM 444 CB GLN A 26 -0.416 -9.101 -5.698 1.00 0.00 C ATOM 445 CG GLN A 26 -0.433 -10.329 -4.780 1.00 0.00 C ATOM 446 CD GLN A 26 -0.655 -11.596 -5.600 1.00 0.00 C ATOM 447 OE1 GLN A 26 -1.786 -12.064 -5.728 1.00 0.00 O ATOM 448 NE2 GLN A 26 0.365 -12.180 -6.168 1.00 0.00 N ATOM 0 H GLN A 26 -0.863 -7.323 -7.339 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.203 -9.731 -6.728 1.00 0.00 H new ATOM 0 HB2 GLN A 26 0.275 -9.264 -6.525 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.056 -8.231 -5.149 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.509 -10.399 -4.237 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.223 -10.225 -4.036 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.301 -11.790 -6.060 1.00 0.00 H new ATOM 0 HE22 GLN A 26 0.226 -13.027 -6.720 1.00 0.00 H new ATOM 457 N ALA A 27 -2.595 -7.270 -4.549 1.00 0.00 N ATOM 458 CA ALA A 27 -3.424 -6.811 -3.437 1.00 0.00 C ATOM 459 C ALA A 27 -4.907 -6.858 -3.800 1.00 0.00 C ATOM 460 O ALA A 27 -5.764 -6.972 -2.923 1.00 0.00 O ATOM 461 CB ALA A 27 -3.034 -5.382 -3.055 1.00 0.00 C ATOM 0 H ALA A 27 -1.898 -6.595 -4.863 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.256 -7.477 -2.590 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.655 -5.045 -2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.986 -5.358 -2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.182 -4.723 -3.911 1.00 0.00 H new ATOM 467 N TYR A 28 -5.203 -6.764 -5.094 1.00 0.00 N ATOM 468 CA TYR A 28 -6.590 -6.790 -5.558 1.00 0.00 C ATOM 469 C TYR A 28 -7.276 -8.101 -5.174 1.00 0.00 C ATOM 470 O TYR A 28 -8.393 -8.096 -4.657 1.00 0.00 O ATOM 471 CB TYR A 28 -6.628 -6.619 -7.080 1.00 0.00 C ATOM 472 CG TYR A 28 -8.018 -6.210 -7.516 1.00 0.00 C ATOM 473 CD1 TYR A 28 -9.019 -7.180 -7.663 1.00 0.00 C ATOM 474 CD2 TYR A 28 -8.305 -4.865 -7.777 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.305 -6.803 -8.068 1.00 0.00 C ATOM 476 CE2 TYR A 28 -9.592 -4.488 -8.185 1.00 0.00 C ATOM 477 CZ TYR A 28 -10.591 -5.458 -8.330 1.00 0.00 C ATOM 478 OH TYR A 28 -11.858 -5.088 -8.732 1.00 0.00 O ATOM 0 H TYR A 28 -4.509 -6.670 -5.835 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.125 -5.970 -5.079 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -5.904 -5.865 -7.388 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.344 -7.552 -7.567 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.798 -8.218 -7.464 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -7.534 -4.117 -7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.077 -7.550 -8.178 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -9.813 -3.450 -8.387 1.00 0.00 H new ATOM 0 HH TYR A 28 -11.887 -4.118 -8.871 1.00 0.00 H new ATOM 488 N GLU A 29 -6.605 -9.221 -5.439 1.00 0.00 N ATOM 489 CA GLU A 29 -7.161 -10.534 -5.130 1.00 0.00 C ATOM 490 C GLU A 29 -6.776 -10.992 -3.723 1.00 0.00 C ATOM 491 O GLU A 29 -7.062 -12.126 -3.335 1.00 0.00 O ATOM 492 CB GLU A 29 -6.663 -11.556 -6.155 1.00 0.00 C ATOM 493 CG GLU A 29 -5.138 -11.479 -6.269 1.00 0.00 C ATOM 494 CD GLU A 29 -4.596 -12.764 -6.888 1.00 0.00 C ATOM 495 OE1 GLU A 29 -4.594 -12.859 -8.104 1.00 0.00 O ATOM 496 OE2 GLU A 29 -4.191 -13.636 -6.135 1.00 0.00 O ATOM 0 H GLU A 29 -5.679 -9.244 -5.866 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.247 -10.458 -5.174 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.964 -12.560 -5.856 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.119 -11.362 -7.126 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -4.853 -10.623 -6.881 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -4.698 -11.327 -5.283 1.00 0.00 H new ATOM 503 N ASP A 30 -6.125 -10.115 -2.962 1.00 0.00 N ATOM 504 CA ASP A 30 -5.708 -10.462 -1.606 1.00 0.00 C ATOM 505 C ASP A 30 -6.889 -10.391 -0.638 1.00 0.00 C ATOM 506 O ASP A 30 -7.960 -9.892 -0.984 1.00 0.00 O ATOM 507 CB ASP A 30 -4.597 -9.514 -1.135 1.00 0.00 C ATOM 508 CG ASP A 30 -3.247 -9.921 -1.733 1.00 0.00 C ATOM 509 OD1 ASP A 30 -3.214 -10.854 -2.521 1.00 0.00 O ATOM 510 OD2 ASP A 30 -2.261 -9.288 -1.393 1.00 0.00 O ATOM 0 H ASP A 30 -5.877 -9.170 -3.256 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.329 -11.484 -1.619 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.836 -8.492 -1.428 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.537 -9.528 -0.047 1.00 0.00 H new ATOM 515 N HIS A 31 -6.670 -10.898 0.574 1.00 0.00 N ATOM 516 CA HIS A 31 -7.700 -10.911 1.615 1.00 0.00 C ATOM 517 C HIS A 31 -7.077 -11.360 2.936 1.00 0.00 C ATOM 518 O HIS A 31 -7.730 -11.981 3.777 1.00 0.00 O ATOM 519 CB HIS A 31 -8.837 -11.872 1.230 1.00 0.00 C ATOM 520 CG HIS A 31 -9.885 -11.138 0.437 1.00 0.00 C ATOM 521 ND1 HIS A 31 -10.439 -9.943 0.868 1.00 0.00 N ATOM 522 CD2 HIS A 31 -10.489 -11.420 -0.763 1.00 0.00 C ATOM 523 CE1 HIS A 31 -11.334 -9.554 -0.058 1.00 0.00 C ATOM 524 NE2 HIS A 31 -11.403 -10.418 -1.074 1.00 0.00 N ATOM 0 H HIS A 31 -5.782 -11.308 0.862 1.00 0.00 H new ATOM 0 HA HIS A 31 -8.110 -9.907 1.722 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -8.441 -12.701 0.644 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -9.282 -12.300 2.128 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -10.286 -12.288 -1.373 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.925 -8.653 0.012 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -11.998 -10.357 -1.900 1.00 0.00 H new ATOM 533 N SER A 32 -5.802 -11.022 3.101 1.00 0.00 N ATOM 534 CA SER A 32 -5.054 -11.361 4.303 1.00 0.00 C ATOM 535 C SER A 32 -4.065 -10.243 4.597 1.00 0.00 C ATOM 536 O SER A 32 -2.853 -10.412 4.463 1.00 0.00 O ATOM 537 CB SER A 32 -4.313 -12.686 4.110 1.00 0.00 C ATOM 538 OG SER A 32 -3.717 -13.076 5.341 1.00 0.00 O ATOM 0 H SER A 32 -5.261 -10.507 2.406 1.00 0.00 H new ATOM 0 HA SER A 32 -5.740 -11.474 5.142 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.005 -13.456 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 32 -3.548 -12.579 3.340 1.00 0.00 H new ATOM 0 HG SER A 32 -3.264 -12.306 5.744 1.00 0.00 H new ATOM 544 N PHE A 33 -4.608 -9.089 4.964 1.00 0.00 N ATOM 545 CA PHE A 33 -3.799 -7.910 5.245 1.00 0.00 C ATOM 546 C PHE A 33 -4.702 -6.742 5.648 1.00 0.00 C ATOM 547 O PHE A 33 -5.800 -6.594 5.113 1.00 0.00 O ATOM 548 CB PHE A 33 -3.010 -7.551 3.980 1.00 0.00 C ATOM 549 CG PHE A 33 -2.437 -6.155 4.080 1.00 0.00 C ATOM 550 CD1 PHE A 33 -3.232 -5.048 3.756 1.00 0.00 C ATOM 551 CD2 PHE A 33 -1.112 -5.969 4.488 1.00 0.00 C ATOM 552 CE1 PHE A 33 -2.701 -3.756 3.838 1.00 0.00 C ATOM 553 CE2 PHE A 33 -0.582 -4.676 4.572 1.00 0.00 C ATOM 554 CZ PHE A 33 -1.376 -3.570 4.248 1.00 0.00 C ATOM 0 H PHE A 33 -5.612 -8.944 5.074 1.00 0.00 H new ATOM 0 HA PHE A 33 -3.112 -8.115 6.066 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -2.204 -8.270 3.833 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.661 -7.620 3.109 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.255 -5.192 3.443 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -0.499 -6.822 4.738 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.313 -2.903 3.585 1.00 0.00 H new ATOM 0 HE2 PHE A 33 0.441 -4.532 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 33 -0.966 -2.573 4.314 1.00 0.00 H new ATOM 564 N PRO A 34 -4.262 -5.927 6.585 1.00 0.00 N ATOM 565 CA PRO A 34 -5.040 -4.751 7.087 1.00 0.00 C ATOM 566 C PRO A 34 -5.663 -3.927 5.957 1.00 0.00 C ATOM 567 O PRO A 34 -5.107 -2.916 5.527 1.00 0.00 O ATOM 568 CB PRO A 34 -4.012 -3.923 7.880 1.00 0.00 C ATOM 569 CG PRO A 34 -2.686 -4.598 7.698 1.00 0.00 C ATOM 570 CD PRO A 34 -2.974 -6.035 7.276 1.00 0.00 C ATOM 0 HA PRO A 34 -5.888 -5.067 7.694 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -3.977 -2.896 7.515 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.282 -3.878 8.935 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.092 -4.085 6.941 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.111 -4.575 8.624 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.196 -6.426 6.620 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.032 -6.703 8.135 1.00 0.00 H new ATOM 578 N LYS A 35 -6.827 -4.374 5.490 1.00 0.00 N ATOM 579 CA LYS A 35 -7.539 -3.683 4.419 1.00 0.00 C ATOM 580 C LYS A 35 -7.855 -2.248 4.826 1.00 0.00 C ATOM 581 O LYS A 35 -8.014 -1.372 3.975 1.00 0.00 O ATOM 582 CB LYS A 35 -8.843 -4.424 4.100 1.00 0.00 C ATOM 583 CG LYS A 35 -8.540 -5.682 3.279 1.00 0.00 C ATOM 584 CD LYS A 35 -8.340 -5.302 1.809 1.00 0.00 C ATOM 585 CE LYS A 35 -8.231 -6.571 0.959 1.00 0.00 C ATOM 586 NZ LYS A 35 -9.597 -7.052 0.606 1.00 0.00 N ATOM 0 H LYS A 35 -7.296 -5.211 5.836 1.00 0.00 H new ATOM 0 HA LYS A 35 -6.903 -3.666 3.534 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -9.352 -4.696 5.024 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -9.517 -3.771 3.545 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -7.645 -6.172 3.663 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.359 -6.395 3.372 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -9.175 -4.692 1.464 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.438 -4.700 1.698 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -7.660 -6.367 0.053 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -7.692 -7.344 1.507 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -9.723 -8.025 0.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.308 -6.434 1.047 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -9.715 -7.034 -0.427 1.00 0.00 H new ATOM 600 N THR A 36 -7.948 -2.019 6.134 1.00 0.00 N ATOM 601 CA THR A 36 -8.251 -0.690 6.655 1.00 0.00 C ATOM 602 C THR A 36 -7.280 -0.320 7.778 1.00 0.00 C ATOM 603 O THR A 36 -7.665 -0.213 8.943 1.00 0.00 O ATOM 604 CB THR A 36 -9.701 -0.644 7.161 1.00 0.00 C ATOM 605 OG1 THR A 36 -9.921 0.570 7.870 1.00 0.00 O ATOM 606 CG2 THR A 36 -9.976 -1.836 8.086 1.00 0.00 C ATOM 0 H THR A 36 -7.818 -2.734 6.850 1.00 0.00 H new ATOM 0 HA THR A 36 -8.136 0.037 5.851 1.00 0.00 H new ATOM 0 HB THR A 36 -10.376 -0.695 6.307 1.00 0.00 H new ATOM 0 HG1 THR A 36 -9.293 0.629 8.620 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.007 -1.793 8.438 1.00 0.00 H new ATOM 0 HG22 THR A 36 -9.818 -2.765 7.539 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.299 -1.798 8.939 1.00 0.00 H new ATOM 614 N SER A 37 -6.017 -0.122 7.407 1.00 0.00 N ATOM 615 CA SER A 37 -4.981 0.240 8.371 1.00 0.00 C ATOM 616 C SER A 37 -3.649 0.408 7.654 1.00 0.00 C ATOM 617 O SER A 37 -3.345 -0.328 6.714 1.00 0.00 O ATOM 618 CB SER A 37 -4.845 -0.844 9.445 1.00 0.00 C ATOM 619 OG SER A 37 -4.581 -0.229 10.699 1.00 0.00 O ATOM 0 H SER A 37 -5.687 -0.206 6.446 1.00 0.00 H new ATOM 0 HA SER A 37 -5.264 1.178 8.848 1.00 0.00 H new ATOM 0 HB2 SER A 37 -5.760 -1.434 9.501 1.00 0.00 H new ATOM 0 HB3 SER A 37 -4.039 -1.530 9.186 1.00 0.00 H new ATOM 0 HG SER A 37 -4.495 -0.919 11.390 1.00 0.00 H new ATOM 625 N THR A 38 -2.855 1.377 8.103 1.00 0.00 N ATOM 626 CA THR A 38 -1.560 1.624 7.493 1.00 0.00 C ATOM 627 C THR A 38 -0.531 1.963 8.562 1.00 0.00 C ATOM 628 O THR A 38 -0.561 3.042 9.156 1.00 0.00 O ATOM 629 CB THR A 38 -1.665 2.768 6.472 1.00 0.00 C ATOM 630 OG1 THR A 38 -0.366 3.272 6.189 1.00 0.00 O ATOM 631 CG2 THR A 38 -2.543 3.894 7.029 1.00 0.00 C ATOM 0 H THR A 38 -3.086 1.996 8.880 1.00 0.00 H new ATOM 0 HA THR A 38 -1.239 0.721 6.974 1.00 0.00 H new ATOM 0 HB THR A 38 -2.117 2.387 5.556 1.00 0.00 H new ATOM 0 HG1 THR A 38 -0.433 4.000 5.537 1.00 0.00 H new ATOM 0 HG21 THR A 38 -2.610 4.699 6.297 1.00 0.00 H new ATOM 0 HG22 THR A 38 -3.541 3.508 7.237 1.00 0.00 H new ATOM 0 HG23 THR A 38 -2.103 4.277 7.950 1.00 0.00 H new ATOM 639 N ASP A 39 0.381 1.031 8.792 1.00 0.00 N ATOM 640 CA ASP A 39 1.431 1.217 9.779 1.00 0.00 C ATOM 641 C ASP A 39 2.714 0.569 9.273 1.00 0.00 C ATOM 642 O ASP A 39 2.789 -0.651 9.134 1.00 0.00 O ATOM 643 CB ASP A 39 0.999 0.602 11.113 1.00 0.00 C ATOM 644 CG ASP A 39 2.065 0.842 12.180 1.00 0.00 C ATOM 645 OD1 ASP A 39 3.133 0.264 12.068 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.799 1.604 13.093 1.00 0.00 O ATOM 0 H ASP A 39 0.414 0.135 8.306 1.00 0.00 H new ATOM 0 HA ASP A 39 1.612 2.280 9.935 1.00 0.00 H new ATOM 0 HB2 ASP A 39 0.052 1.037 11.432 1.00 0.00 H new ATOM 0 HB3 ASP A 39 0.833 -0.468 10.990 1.00 0.00 H new ATOM 651 N TYR A 40 3.708 1.398 8.978 1.00 0.00 N ATOM 652 CA TYR A 40 4.983 0.911 8.456 1.00 0.00 C ATOM 653 C TYR A 40 5.526 -0.265 9.270 1.00 0.00 C ATOM 654 O TYR A 40 5.853 -1.308 8.710 1.00 0.00 O ATOM 655 CB TYR A 40 6.006 2.051 8.446 1.00 0.00 C ATOM 656 CG TYR A 40 7.295 1.570 7.820 1.00 0.00 C ATOM 657 CD1 TYR A 40 7.403 1.469 6.427 1.00 0.00 C ATOM 658 CD2 TYR A 40 8.382 1.222 8.632 1.00 0.00 C ATOM 659 CE1 TYR A 40 8.595 1.020 5.847 1.00 0.00 C ATOM 660 CE2 TYR A 40 9.575 0.773 8.052 1.00 0.00 C ATOM 661 CZ TYR A 40 9.680 0.673 6.659 1.00 0.00 C ATOM 662 OH TYR A 40 10.856 0.229 6.087 1.00 0.00 O ATOM 0 H TYR A 40 3.658 2.411 9.091 1.00 0.00 H new ATOM 0 HA TYR A 40 4.810 0.556 7.440 1.00 0.00 H new ATOM 0 HB2 TYR A 40 5.613 2.901 7.887 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.191 2.396 9.463 1.00 0.00 H new ATOM 0 HD1 TYR A 40 6.566 1.738 5.800 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.300 1.300 9.706 1.00 0.00 H new ATOM 0 HE1 TYR A 40 8.677 0.941 4.773 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.413 0.504 8.678 1.00 0.00 H new ATOM 0 HH TYR A 40 11.508 0.032 6.791 1.00 0.00 H new ATOM 672 N HIS A 41 5.638 -0.087 10.584 1.00 0.00 N ATOM 673 CA HIS A 41 6.172 -1.140 11.450 1.00 0.00 C ATOM 674 C HIS A 41 5.287 -2.390 11.438 1.00 0.00 C ATOM 675 O HIS A 41 5.775 -3.501 11.220 1.00 0.00 O ATOM 676 CB HIS A 41 6.289 -0.609 12.884 1.00 0.00 C ATOM 677 CG HIS A 41 7.048 -1.588 13.744 1.00 0.00 C ATOM 678 ND1 HIS A 41 7.361 -2.871 13.319 1.00 0.00 N ATOM 679 CD2 HIS A 41 7.555 -1.486 15.018 1.00 0.00 C ATOM 680 CE1 HIS A 41 8.025 -3.481 14.317 1.00 0.00 C ATOM 681 NE2 HIS A 41 8.172 -2.681 15.376 1.00 0.00 N ATOM 0 H HIS A 41 5.369 0.768 11.071 1.00 0.00 H new ATOM 0 HA HIS A 41 7.154 -1.422 11.070 1.00 0.00 H new ATOM 0 HB2 HIS A 41 6.798 0.355 12.882 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.295 -0.443 13.300 1.00 0.00 H new ATOM 0 HD1 HIS A 41 7.129 -3.278 12.413 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.485 -0.610 15.646 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.394 -4.495 14.268 1.00 0.00 H new ATOM 690 N GLU A 42 3.995 -2.206 11.686 1.00 0.00 N ATOM 691 CA GLU A 42 3.059 -3.328 11.719 1.00 0.00 C ATOM 692 C GLU A 42 3.007 -4.050 10.375 1.00 0.00 C ATOM 693 O GLU A 42 3.126 -5.275 10.314 1.00 0.00 O ATOM 694 CB GLU A 42 1.658 -2.827 12.086 1.00 0.00 C ATOM 695 CG GLU A 42 0.915 -3.907 12.878 1.00 0.00 C ATOM 696 CD GLU A 42 -0.591 -3.669 12.797 1.00 0.00 C ATOM 697 OE1 GLU A 42 -1.077 -2.820 13.527 1.00 0.00 O ATOM 698 OE2 GLU A 42 -1.236 -4.339 12.007 1.00 0.00 O ATOM 0 H GLU A 42 3.572 -1.296 11.867 1.00 0.00 H new ATOM 0 HA GLU A 42 3.409 -4.034 12.472 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.731 -1.914 12.677 1.00 0.00 H new ATOM 0 HB3 GLU A 42 1.102 -2.578 11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 42 1.158 -4.893 12.481 1.00 0.00 H new ATOM 0 HG3 GLU A 42 1.238 -3.894 13.919 1.00 0.00 H new ATOM 705 N ILE A 43 2.817 -3.284 9.306 1.00 0.00 N ATOM 706 CA ILE A 43 2.735 -3.855 7.967 1.00 0.00 C ATOM 707 C ILE A 43 4.075 -4.459 7.544 1.00 0.00 C ATOM 708 O ILE A 43 4.111 -5.524 6.927 1.00 0.00 O ATOM 709 CB ILE A 43 2.293 -2.773 6.971 1.00 0.00 C ATOM 710 CG1 ILE A 43 0.790 -2.514 7.155 1.00 0.00 C ATOM 711 CG2 ILE A 43 2.569 -3.237 5.536 1.00 0.00 C ATOM 712 CD1 ILE A 43 0.345 -1.329 6.292 1.00 0.00 C ATOM 0 H ILE A 43 2.717 -2.269 9.340 1.00 0.00 H new ATOM 0 HA ILE A 43 1.997 -4.658 7.975 1.00 0.00 H new ATOM 0 HB ILE A 43 2.852 -1.855 7.154 1.00 0.00 H new ATOM 0 HG12 ILE A 43 0.224 -3.405 6.881 1.00 0.00 H new ATOM 0 HG13 ILE A 43 0.575 -2.310 8.204 1.00 0.00 H new ATOM 0 HG21 ILE A 43 2.252 -2.464 4.836 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.636 -3.423 5.413 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.015 -4.155 5.337 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -0.722 -1.157 6.432 1.00 0.00 H new ATOM 0 HD12 ILE A 43 0.898 -0.437 6.586 1.00 0.00 H new ATOM 0 HD13 ILE A 43 0.542 -1.549 5.243 1.00 0.00 H new ATOM 724 N SER A 44 5.170 -3.779 7.881 1.00 0.00 N ATOM 725 CA SER A 44 6.503 -4.269 7.531 1.00 0.00 C ATOM 726 C SER A 44 6.671 -5.725 7.959 1.00 0.00 C ATOM 727 O SER A 44 7.103 -6.567 7.171 1.00 0.00 O ATOM 728 CB SER A 44 7.576 -3.410 8.204 1.00 0.00 C ATOM 729 OG SER A 44 8.839 -4.053 8.084 1.00 0.00 O ATOM 0 H SER A 44 5.162 -2.896 8.391 1.00 0.00 H new ATOM 0 HA SER A 44 6.616 -4.204 6.449 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.612 -2.424 7.741 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.331 -3.259 9.255 1.00 0.00 H new ATOM 0 HG SER A 44 9.528 -3.504 8.513 1.00 0.00 H new ATOM 735 N SER A 45 6.324 -6.012 9.212 1.00 0.00 N ATOM 736 CA SER A 45 6.436 -7.366 9.737 1.00 0.00 C ATOM 737 C SER A 45 5.505 -8.308 8.983 1.00 0.00 C ATOM 738 O SER A 45 5.884 -9.428 8.643 1.00 0.00 O ATOM 739 CB SER A 45 6.085 -7.379 11.227 1.00 0.00 C ATOM 740 OG SER A 45 6.658 -8.530 11.836 1.00 0.00 O ATOM 0 H SER A 45 5.965 -5.327 9.877 1.00 0.00 H new ATOM 0 HA SER A 45 7.463 -7.705 9.605 1.00 0.00 H new ATOM 0 HB2 SER A 45 6.459 -6.475 11.708 1.00 0.00 H new ATOM 0 HB3 SER A 45 5.003 -7.385 11.357 1.00 0.00 H new ATOM 0 HG SER A 45 6.436 -8.540 12.791 1.00 0.00 H new ATOM 746 N TYR A 46 4.284 -7.844 8.725 1.00 0.00 N ATOM 747 CA TYR A 46 3.299 -8.654 8.015 1.00 0.00 C ATOM 748 C TYR A 46 3.807 -9.035 6.628 1.00 0.00 C ATOM 749 O TYR A 46 3.744 -10.201 6.238 1.00 0.00 O ATOM 750 CB TYR A 46 1.984 -7.877 7.886 1.00 0.00 C ATOM 751 CG TYR A 46 0.835 -8.850 7.749 1.00 0.00 C ATOM 752 CD1 TYR A 46 0.536 -9.410 6.502 1.00 0.00 C ATOM 753 CD2 TYR A 46 0.070 -9.192 8.872 1.00 0.00 C ATOM 754 CE1 TYR A 46 -0.526 -10.312 6.376 1.00 0.00 C ATOM 755 CE2 TYR A 46 -0.993 -10.094 8.745 1.00 0.00 C ATOM 756 CZ TYR A 46 -1.291 -10.654 7.497 1.00 0.00 C ATOM 757 OH TYR A 46 -2.338 -11.544 7.372 1.00 0.00 O ATOM 0 H TYR A 46 3.955 -6.917 8.995 1.00 0.00 H new ATOM 0 HA TYR A 46 3.130 -9.567 8.585 1.00 0.00 H new ATOM 0 HB2 TYR A 46 1.836 -7.244 8.761 1.00 0.00 H new ATOM 0 HB3 TYR A 46 2.022 -7.218 7.018 1.00 0.00 H new ATOM 0 HD1 TYR A 46 1.125 -9.146 5.636 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.300 -8.760 9.835 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -0.756 -10.745 5.413 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.583 -10.358 9.610 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.764 -11.673 8.245 1.00 0.00 H new ATOM 767 N LEU A 47 4.314 -8.052 5.892 1.00 0.00 N ATOM 768 CA LEU A 47 4.834 -8.302 4.550 1.00 0.00 C ATOM 769 C LEU A 47 6.034 -9.241 4.614 1.00 0.00 C ATOM 770 O LEU A 47 6.150 -10.171 3.814 1.00 0.00 O ATOM 771 CB LEU A 47 5.247 -6.982 3.894 1.00 0.00 C ATOM 772 CG LEU A 47 4.003 -6.129 3.625 1.00 0.00 C ATOM 773 CD1 LEU A 47 4.431 -4.711 3.245 1.00 0.00 C ATOM 774 CD2 LEU A 47 3.196 -6.743 2.475 1.00 0.00 C ATOM 0 H LEU A 47 4.377 -7.081 6.198 1.00 0.00 H new ATOM 0 HA LEU A 47 4.050 -8.770 3.954 1.00 0.00 H new ATOM 0 HB2 LEU A 47 5.937 -6.442 4.543 1.00 0.00 H new ATOM 0 HB3 LEU A 47 5.775 -7.178 2.961 1.00 0.00 H new ATOM 0 HG LEU A 47 3.386 -6.096 4.523 1.00 0.00 H new ATOM 0 HD11 LEU A 47 3.547 -4.103 3.053 1.00 0.00 H new ATOM 0 HD12 LEU A 47 5.003 -4.272 4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 47 5.049 -4.746 2.348 1.00 0.00 H new ATOM 0 HD21 LEU A 47 2.312 -6.135 2.286 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.812 -6.778 1.576 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.890 -7.754 2.744 1.00 0.00 H new ATOM 786 N GLU A 48 6.919 -8.994 5.577 1.00 0.00 N ATOM 787 CA GLU A 48 8.107 -9.824 5.748 1.00 0.00 C ATOM 788 C GLU A 48 7.708 -11.249 6.117 1.00 0.00 C ATOM 789 O GLU A 48 8.246 -12.215 5.575 1.00 0.00 O ATOM 790 CB GLU A 48 8.999 -9.243 6.848 1.00 0.00 C ATOM 791 CG GLU A 48 9.891 -8.146 6.261 1.00 0.00 C ATOM 792 CD GLU A 48 10.790 -7.568 7.350 1.00 0.00 C ATOM 793 OE1 GLU A 48 11.823 -8.161 7.616 1.00 0.00 O ATOM 794 OE2 GLU A 48 10.432 -6.542 7.906 1.00 0.00 O ATOM 0 H GLU A 48 6.836 -8.230 6.247 1.00 0.00 H new ATOM 0 HA GLU A 48 8.657 -9.840 4.807 1.00 0.00 H new ATOM 0 HB2 GLU A 48 8.385 -8.835 7.651 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.613 -10.030 7.285 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.499 -8.553 5.454 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.275 -7.357 5.829 1.00 0.00 H new ATOM 801 N LEU A 49 6.757 -11.369 7.040 1.00 0.00 N ATOM 802 CA LEU A 49 6.290 -12.679 7.477 1.00 0.00 C ATOM 803 C LEU A 49 5.586 -13.401 6.331 1.00 0.00 C ATOM 804 O LEU A 49 5.710 -14.618 6.184 1.00 0.00 O ATOM 805 CB LEU A 49 5.328 -12.519 8.661 1.00 0.00 C ATOM 806 CG LEU A 49 6.108 -12.057 9.900 1.00 0.00 C ATOM 807 CD1 LEU A 49 5.168 -11.312 10.857 1.00 0.00 C ATOM 808 CD2 LEU A 49 6.700 -13.275 10.616 1.00 0.00 C ATOM 0 H LEU A 49 6.298 -10.580 7.496 1.00 0.00 H new ATOM 0 HA LEU A 49 7.150 -13.272 7.789 1.00 0.00 H new ATOM 0 HB2 LEU A 49 4.552 -11.794 8.416 1.00 0.00 H new ATOM 0 HB3 LEU A 49 4.827 -13.465 8.866 1.00 0.00 H new ATOM 0 HG LEU A 49 6.911 -11.389 9.589 1.00 0.00 H new ATOM 0 HD11 LEU A 49 5.726 -10.986 11.735 1.00 0.00 H new ATOM 0 HD12 LEU A 49 4.748 -10.443 10.351 1.00 0.00 H new ATOM 0 HD13 LEU A 49 4.362 -11.977 11.166 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.254 -12.946 11.496 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.895 -13.943 10.922 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.373 -13.803 9.940 1.00 0.00 H new ATOM 820 N ASN A 50 4.859 -12.641 5.512 1.00 0.00 N ATOM 821 CA ASN A 50 4.153 -13.217 4.372 1.00 0.00 C ATOM 822 C ASN A 50 5.149 -13.726 3.334 1.00 0.00 C ATOM 823 O ASN A 50 5.839 -12.939 2.685 1.00 0.00 O ATOM 824 CB ASN A 50 3.231 -12.171 3.739 1.00 0.00 C ATOM 825 CG ASN A 50 1.891 -12.149 4.471 1.00 0.00 C ATOM 826 OD1 ASN A 50 1.865 -12.233 5.774 1.00 0.00 O flip ATOM 827 ND2 ASN A 50 0.840 -12.055 3.838 1.00 0.00 N flip ATOM 0 H ASN A 50 4.745 -11.633 5.617 1.00 0.00 H new ATOM 0 HA ASN A 50 3.551 -14.055 4.724 1.00 0.00 H new ATOM 0 HB2 ASN A 50 3.697 -11.187 3.786 1.00 0.00 H new ATOM 0 HB3 ASN A 50 3.076 -12.401 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 50 0.862 -11.989 2.820 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.053 -12.043 4.331 1.00 0.00 H new ATOM 834 N ALA A 51 5.217 -15.046 3.187 1.00 0.00 N ATOM 835 CA ALA A 51 6.134 -15.659 2.229 1.00 0.00 C ATOM 836 C ALA A 51 5.743 -15.302 0.798 1.00 0.00 C ATOM 837 O ALA A 51 6.579 -15.320 -0.107 1.00 0.00 O ATOM 838 CB ALA A 51 6.120 -17.179 2.399 1.00 0.00 C ATOM 0 H ALA A 51 4.651 -15.710 3.716 1.00 0.00 H new ATOM 0 HA ALA A 51 7.137 -15.277 2.421 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.805 -17.632 1.682 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.433 -17.435 3.411 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.112 -17.555 2.225 1.00 0.00 H new ATOM 844 N ASP A 52 4.466 -14.984 0.602 1.00 0.00 N ATOM 845 CA ASP A 52 3.962 -14.631 -0.722 1.00 0.00 C ATOM 846 C ASP A 52 4.603 -13.341 -1.229 1.00 0.00 C ATOM 847 O ASP A 52 5.053 -13.271 -2.373 1.00 0.00 O ATOM 848 CB ASP A 52 2.442 -14.453 -0.668 1.00 0.00 C ATOM 849 CG ASP A 52 1.768 -15.795 -0.397 1.00 0.00 C ATOM 850 OD1 ASP A 52 1.820 -16.245 0.737 1.00 0.00 O ATOM 851 OD2 ASP A 52 1.209 -16.354 -1.326 1.00 0.00 O ATOM 0 H ASP A 52 3.763 -14.964 1.341 1.00 0.00 H new ATOM 0 HA ASP A 52 4.218 -15.439 -1.407 1.00 0.00 H new ATOM 0 HB2 ASP A 52 2.179 -13.740 0.114 1.00 0.00 H new ATOM 0 HB3 ASP A 52 2.082 -14.040 -1.610 1.00 0.00 H new ATOM 856 N TYR A 53 4.629 -12.321 -0.375 1.00 0.00 N ATOM 857 CA TYR A 53 5.204 -11.030 -0.753 1.00 0.00 C ATOM 858 C TYR A 53 6.673 -10.937 -0.337 1.00 0.00 C ATOM 859 O TYR A 53 7.363 -9.980 -0.687 1.00 0.00 O ATOM 860 CB TYR A 53 4.410 -9.891 -0.104 1.00 0.00 C ATOM 861 CG TYR A 53 2.942 -10.257 -0.042 1.00 0.00 C ATOM 862 CD1 TYR A 53 2.288 -10.751 -1.181 1.00 0.00 C ATOM 863 CD2 TYR A 53 2.234 -10.108 1.158 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.932 -11.091 -1.119 1.00 0.00 C ATOM 865 CE2 TYR A 53 0.878 -10.449 1.219 1.00 0.00 C ATOM 866 CZ TYR A 53 0.228 -10.941 0.081 1.00 0.00 C ATOM 867 OH TYR A 53 -1.109 -11.281 0.144 1.00 0.00 O ATOM 0 H TYR A 53 4.262 -12.361 0.576 1.00 0.00 H new ATOM 0 HA TYR A 53 5.148 -10.941 -1.838 1.00 0.00 H new ATOM 0 HB2 TYR A 53 4.788 -9.698 0.900 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.541 -8.973 -0.676 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.832 -10.869 -2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.735 -9.730 2.037 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.429 -11.469 -1.997 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.333 -10.333 2.144 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.446 -11.117 1.050 1.00 0.00 H new ATOM 877 N LEU A 54 7.141 -11.934 0.409 1.00 0.00 N ATOM 878 CA LEU A 54 8.531 -11.958 0.865 1.00 0.00 C ATOM 879 C LEU A 54 9.497 -11.789 -0.311 1.00 0.00 C ATOM 880 O LEU A 54 10.592 -11.249 -0.153 1.00 0.00 O ATOM 881 CB LEU A 54 8.814 -13.285 1.583 1.00 0.00 C ATOM 882 CG LEU A 54 10.259 -13.315 2.100 1.00 0.00 C ATOM 883 CD1 LEU A 54 10.504 -12.130 3.040 1.00 0.00 C ATOM 884 CD2 LEU A 54 10.495 -14.624 2.860 1.00 0.00 C ATOM 0 H LEU A 54 6.583 -12.733 0.710 1.00 0.00 H new ATOM 0 HA LEU A 54 8.683 -11.127 1.554 1.00 0.00 H new ATOM 0 HB2 LEU A 54 8.121 -13.411 2.415 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.648 -14.118 0.900 1.00 0.00 H new ATOM 0 HG LEU A 54 10.945 -13.248 1.255 1.00 0.00 H new ATOM 0 HD11 LEU A 54 11.532 -12.159 3.402 1.00 0.00 H new ATOM 0 HD12 LEU A 54 10.335 -11.197 2.501 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.819 -12.189 3.886 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.520 -14.650 3.229 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.804 -14.686 3.701 1.00 0.00 H new ATOM 0 HD23 LEU A 54 10.329 -15.468 2.191 1.00 0.00 H new ATOM 896 N HIS A 55 9.086 -12.268 -1.485 1.00 0.00 N ATOM 897 CA HIS A 55 9.925 -12.182 -2.680 1.00 0.00 C ATOM 898 C HIS A 55 9.802 -10.815 -3.363 1.00 0.00 C ATOM 899 O HIS A 55 10.297 -10.628 -4.476 1.00 0.00 O ATOM 900 CB HIS A 55 9.531 -13.288 -3.666 1.00 0.00 C ATOM 901 CG HIS A 55 10.570 -13.400 -4.751 1.00 0.00 C ATOM 902 ND1 HIS A 55 10.262 -13.854 -6.023 1.00 0.00 N ATOM 903 CD2 HIS A 55 11.916 -13.118 -4.771 1.00 0.00 C ATOM 904 CE1 HIS A 55 11.395 -13.832 -6.749 1.00 0.00 C ATOM 905 NE2 HIS A 55 12.432 -13.391 -6.034 1.00 0.00 N ATOM 0 H HIS A 55 8.182 -12.717 -1.634 1.00 0.00 H new ATOM 0 HA HIS A 55 10.962 -12.309 -2.371 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.436 -14.239 -3.141 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.557 -13.067 -4.104 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.486 -12.742 -3.934 1.00 0.00 H new ATOM 0 HE1 HIS A 55 11.457 -14.134 -7.784 1.00 0.00 H new ATOM 0 HE2 HIS A 55 13.396 -13.278 -6.347 1.00 0.00 H new ATOM 914 N THR A 56 9.149 -9.863 -2.701 1.00 0.00 N ATOM 915 CA THR A 56 8.985 -8.528 -3.277 1.00 0.00 C ATOM 916 C THR A 56 9.013 -7.453 -2.191 1.00 0.00 C ATOM 917 O THR A 56 8.343 -6.424 -2.303 1.00 0.00 O ATOM 918 CB THR A 56 7.671 -8.452 -4.067 1.00 0.00 C ATOM 919 OG1 THR A 56 7.571 -7.184 -4.698 1.00 0.00 O ATOM 920 CG2 THR A 56 6.479 -8.653 -3.127 1.00 0.00 C ATOM 0 H THR A 56 8.730 -9.986 -1.779 1.00 0.00 H new ATOM 0 HA THR A 56 9.819 -8.345 -3.955 1.00 0.00 H new ATOM 0 HB THR A 56 7.663 -9.238 -4.822 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.733 -7.135 -5.203 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.552 -8.597 -3.698 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.553 -9.630 -2.650 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.482 -7.875 -2.364 1.00 0.00 H new ATOM 928 N MET A 57 9.802 -7.689 -1.147 1.00 0.00 N ATOM 929 CA MET A 57 9.916 -6.726 -0.057 1.00 0.00 C ATOM 930 C MET A 57 10.483 -5.407 -0.577 1.00 0.00 C ATOM 931 O MET A 57 10.101 -4.330 -0.117 1.00 0.00 O ATOM 932 CB MET A 57 10.831 -7.281 1.040 1.00 0.00 C ATOM 933 CG MET A 57 10.111 -8.398 1.802 1.00 0.00 C ATOM 934 SD MET A 57 8.481 -7.823 2.345 1.00 0.00 S ATOM 935 CE MET A 57 9.047 -6.433 3.359 1.00 0.00 C ATOM 0 H MET A 57 10.367 -8.531 -1.033 1.00 0.00 H new ATOM 0 HA MET A 57 8.924 -6.549 0.358 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.751 -7.664 0.599 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.115 -6.484 1.727 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.003 -9.275 1.163 1.00 0.00 H new ATOM 0 HG3 MET A 57 10.704 -8.703 2.664 1.00 0.00 H new ATOM 0 HE1 MET A 57 8.326 -6.245 4.154 1.00 0.00 H new ATOM 0 HE2 MET A 57 10.016 -6.673 3.797 1.00 0.00 H new ATOM 0 HE3 MET A 57 9.140 -5.543 2.737 1.00 0.00 H new ATOM 945 N ALA A 58 11.397 -5.507 -1.541 1.00 0.00 N ATOM 946 CA ALA A 58 12.020 -4.324 -2.130 1.00 0.00 C ATOM 947 C ALA A 58 10.971 -3.415 -2.769 1.00 0.00 C ATOM 948 O ALA A 58 11.147 -2.197 -2.824 1.00 0.00 O ATOM 949 CB ALA A 58 13.041 -4.746 -3.188 1.00 0.00 C ATOM 0 H ALA A 58 11.721 -6.393 -1.929 1.00 0.00 H new ATOM 0 HA ALA A 58 12.521 -3.772 -1.335 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.502 -3.859 -3.623 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.810 -5.364 -2.725 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.540 -5.316 -3.971 1.00 0.00 H new ATOM 955 N THR A 59 9.885 -4.013 -3.254 1.00 0.00 N ATOM 956 CA THR A 59 8.823 -3.243 -3.892 1.00 0.00 C ATOM 957 C THR A 59 8.038 -2.449 -2.853 1.00 0.00 C ATOM 958 O THR A 59 7.663 -1.302 -3.096 1.00 0.00 O ATOM 959 CB THR A 59 7.876 -4.177 -4.653 1.00 0.00 C ATOM 960 OG1 THR A 59 8.618 -4.915 -5.614 1.00 0.00 O ATOM 961 CG2 THR A 59 6.797 -3.354 -5.363 1.00 0.00 C ATOM 0 H THR A 59 9.719 -5.019 -3.218 1.00 0.00 H new ATOM 0 HA THR A 59 9.280 -2.546 -4.595 1.00 0.00 H new ATOM 0 HB THR A 59 7.400 -4.862 -3.951 1.00 0.00 H new ATOM 0 HG1 THR A 59 8.538 -5.873 -5.423 1.00 0.00 H new ATOM 0 HG21 THR A 59 6.126 -4.022 -5.903 1.00 0.00 H new ATOM 0 HG22 THR A 59 6.229 -2.786 -4.626 1.00 0.00 H new ATOM 0 HG23 THR A 59 7.267 -2.667 -6.066 1.00 0.00 H new ATOM 969 N PHE A 60 7.797 -3.060 -1.694 1.00 0.00 N ATOM 970 CA PHE A 60 7.058 -2.387 -0.631 1.00 0.00 C ATOM 971 C PHE A 60 7.798 -1.126 -0.193 1.00 0.00 C ATOM 972 O PHE A 60 7.213 -0.045 -0.130 1.00 0.00 O ATOM 973 CB PHE A 60 6.884 -3.325 0.567 1.00 0.00 C ATOM 974 CG PHE A 60 6.318 -2.554 1.739 1.00 0.00 C ATOM 975 CD1 PHE A 60 5.002 -2.076 1.694 1.00 0.00 C ATOM 976 CD2 PHE A 60 7.110 -2.316 2.869 1.00 0.00 C ATOM 977 CE1 PHE A 60 4.479 -1.362 2.778 1.00 0.00 C ATOM 978 CE2 PHE A 60 6.586 -1.601 3.954 1.00 0.00 C ATOM 979 CZ PHE A 60 5.271 -1.124 3.908 1.00 0.00 C ATOM 0 H PHE A 60 8.099 -4.008 -1.470 1.00 0.00 H new ATOM 0 HA PHE A 60 6.075 -2.110 -1.012 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.218 -4.147 0.304 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.843 -3.766 0.838 1.00 0.00 H new ATOM 0 HD1 PHE A 60 4.391 -2.259 0.822 1.00 0.00 H new ATOM 0 HD2 PHE A 60 8.125 -2.684 2.904 1.00 0.00 H new ATOM 0 HE1 PHE A 60 3.464 -0.994 2.743 1.00 0.00 H new ATOM 0 HE2 PHE A 60 7.197 -1.418 4.826 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.867 -0.572 4.744 1.00 0.00 H new ATOM 989 N ASP A 61 9.089 -1.274 0.096 1.00 0.00 N ATOM 990 CA ASP A 61 9.909 -0.142 0.514 1.00 0.00 C ATOM 991 C ASP A 61 9.806 0.987 -0.507 1.00 0.00 C ATOM 992 O ASP A 61 9.597 2.149 -0.151 1.00 0.00 O ATOM 993 CB ASP A 61 11.371 -0.578 0.652 1.00 0.00 C ATOM 994 CG ASP A 61 12.127 0.405 1.543 1.00 0.00 C ATOM 995 OD1 ASP A 61 12.503 1.454 1.048 1.00 0.00 O ATOM 996 OD2 ASP A 61 12.316 0.092 2.708 1.00 0.00 O ATOM 0 H ASP A 61 9.587 -2.163 0.048 1.00 0.00 H new ATOM 0 HA ASP A 61 9.547 0.215 1.478 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.422 -1.580 1.077 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.839 -0.625 -0.331 1.00 0.00 H new ATOM 1001 N GLU A 62 9.951 0.627 -1.779 1.00 0.00 N ATOM 1002 CA GLU A 62 9.873 1.599 -2.864 1.00 0.00 C ATOM 1003 C GLU A 62 8.461 2.174 -2.964 1.00 0.00 C ATOM 1004 O GLU A 62 8.284 3.383 -3.123 1.00 0.00 O ATOM 1005 CB GLU A 62 10.265 0.924 -4.184 1.00 0.00 C ATOM 1006 CG GLU A 62 10.169 1.925 -5.341 1.00 0.00 C ATOM 1007 CD GLU A 62 8.739 1.988 -5.878 1.00 0.00 C ATOM 1008 OE1 GLU A 62 8.119 0.942 -5.997 1.00 0.00 O ATOM 1009 OE2 GLU A 62 8.287 3.081 -6.167 1.00 0.00 O ATOM 0 H GLU A 62 10.123 -0.331 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 62 10.563 2.418 -2.659 1.00 0.00 H new ATOM 0 HB2 GLU A 62 11.281 0.535 -4.114 1.00 0.00 H new ATOM 0 HB3 GLU A 62 9.610 0.074 -4.374 1.00 0.00 H new ATOM 0 HG2 GLU A 62 10.480 2.913 -5.001 1.00 0.00 H new ATOM 0 HG3 GLU A 62 10.851 1.633 -6.140 1.00 0.00 H new ATOM 1016 N ALA A 63 7.460 1.302 -2.862 1.00 0.00 N ATOM 1017 CA ALA A 63 6.070 1.740 -2.934 1.00 0.00 C ATOM 1018 C ALA A 63 5.765 2.708 -1.796 1.00 0.00 C ATOM 1019 O ALA A 63 5.186 3.772 -2.013 1.00 0.00 O ATOM 1020 CB ALA A 63 5.134 0.533 -2.845 1.00 0.00 C ATOM 0 H ALA A 63 7.584 0.298 -2.731 1.00 0.00 H new ATOM 0 HA ALA A 63 5.913 2.247 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA A 63 4.099 0.870 -2.900 1.00 0.00 H new ATOM 0 HB2 ALA A 63 5.338 -0.147 -3.672 1.00 0.00 H new ATOM 0 HB3 ALA A 63 5.297 0.015 -1.900 1.00 0.00 H new ATOM 1026 N TRP A 64 6.176 2.335 -0.583 1.00 0.00 N ATOM 1027 CA TRP A 64 5.961 3.184 0.585 1.00 0.00 C ATOM 1028 C TRP A 64 6.538 4.572 0.334 1.00 0.00 C ATOM 1029 O TRP A 64 5.892 5.584 0.613 1.00 0.00 O ATOM 1030 CB TRP A 64 6.623 2.562 1.819 1.00 0.00 C ATOM 1031 CG TRP A 64 6.130 3.253 3.050 1.00 0.00 C ATOM 1032 CD1 TRP A 64 6.735 4.306 3.646 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.943 2.961 3.844 1.00 0.00 C ATOM 1034 NE1 TRP A 64 5.996 4.680 4.752 1.00 0.00 N ATOM 1035 CE2 TRP A 64 4.884 3.880 4.918 1.00 0.00 C ATOM 1036 CE3 TRP A 64 3.925 1.997 3.737 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 3.849 3.844 5.853 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 2.882 1.958 4.678 1.00 0.00 C ATOM 1039 CH2 TRP A 64 2.845 2.881 5.734 1.00 0.00 C ATOM 0 H TRP A 64 6.656 1.457 -0.386 1.00 0.00 H new ATOM 0 HA TRP A 64 4.889 3.270 0.763 1.00 0.00 H new ATOM 0 HB2 TRP A 64 6.394 1.498 1.870 1.00 0.00 H new ATOM 0 HB3 TRP A 64 7.707 2.652 1.748 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.647 4.778 3.312 1.00 0.00 H new ATOM 0 HE1 TRP A 64 6.242 5.453 5.370 1.00 0.00 H new ATOM 0 HE3 TRP A 64 3.945 1.283 2.927 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.825 4.557 6.664 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.105 1.214 4.588 1.00 0.00 H new ATOM 0 HH2 TRP A 64 2.041 2.847 6.454 1.00 0.00 H new ATOM 1050 N ASP A 65 7.757 4.606 -0.204 1.00 0.00 N ATOM 1051 CA ASP A 65 8.420 5.872 -0.503 1.00 0.00 C ATOM 1052 C ASP A 65 7.508 6.755 -1.347 1.00 0.00 C ATOM 1053 O ASP A 65 7.401 7.959 -1.113 1.00 0.00 O ATOM 1054 CB ASP A 65 9.729 5.612 -1.252 1.00 0.00 C ATOM 1055 CG ASP A 65 10.653 6.820 -1.124 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.462 7.769 -1.870 1.00 0.00 O ATOM 1057 OD2 ASP A 65 11.535 6.783 -0.283 1.00 0.00 O ATOM 0 H ASP A 65 8.301 3.776 -0.440 1.00 0.00 H new ATOM 0 HA ASP A 65 8.640 6.384 0.434 1.00 0.00 H new ATOM 0 HB2 ASP A 65 10.218 4.725 -0.849 1.00 0.00 H new ATOM 0 HB3 ASP A 65 9.522 5.412 -2.303 1.00 0.00 H new ATOM 1062 N GLN A 66 6.846 6.141 -2.328 1.00 0.00 N ATOM 1063 CA GLN A 66 5.936 6.873 -3.202 1.00 0.00 C ATOM 1064 C GLN A 66 4.673 7.268 -2.444 1.00 0.00 C ATOM 1065 O GLN A 66 4.193 8.394 -2.567 1.00 0.00 O ATOM 1066 CB GLN A 66 5.551 6.010 -4.409 1.00 0.00 C ATOM 1067 CG GLN A 66 6.810 5.579 -5.167 1.00 0.00 C ATOM 1068 CD GLN A 66 7.175 6.616 -6.225 1.00 0.00 C ATOM 1069 OE1 GLN A 66 7.087 7.818 -5.975 1.00 0.00 O ATOM 1070 NE2 GLN A 66 7.584 6.219 -7.399 1.00 0.00 N ATOM 0 H GLN A 66 6.923 5.145 -2.535 1.00 0.00 H new ATOM 0 HA GLN A 66 6.445 7.773 -3.547 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.998 5.132 -4.077 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.891 6.570 -5.072 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.638 5.455 -4.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.644 4.611 -5.640 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.656 5.222 -7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 66 7.832 6.905 -8.112 1.00 0.00 H new ATOM 1079 N TYR A 67 4.142 6.331 -1.659 1.00 0.00 N ATOM 1080 CA TYR A 67 2.932 6.593 -0.884 1.00 0.00 C ATOM 1081 C TYR A 67 3.100 7.857 -0.048 1.00 0.00 C ATOM 1082 O TYR A 67 2.329 8.808 -0.183 1.00 0.00 O ATOM 1083 CB TYR A 67 2.628 5.403 0.035 1.00 0.00 C ATOM 1084 CG TYR A 67 1.448 5.735 0.922 1.00 0.00 C ATOM 1085 CD1 TYR A 67 0.148 5.674 0.408 1.00 0.00 C ATOM 1086 CD2 TYR A 67 1.655 6.107 2.256 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -0.945 5.984 1.225 1.00 0.00 C ATOM 1088 CE2 TYR A 67 0.561 6.419 3.074 1.00 0.00 C ATOM 1089 CZ TYR A 67 -0.738 6.356 2.558 1.00 0.00 C ATOM 1090 OH TYR A 67 -1.816 6.665 3.364 1.00 0.00 O ATOM 0 H TYR A 67 4.527 5.393 -1.544 1.00 0.00 H new ATOM 0 HA TYR A 67 2.102 6.734 -1.576 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.410 4.517 -0.561 1.00 0.00 H new ATOM 0 HB3 TYR A 67 3.500 5.170 0.645 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.012 5.387 -0.621 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.658 6.153 2.654 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -1.948 5.936 0.827 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.720 6.708 4.102 1.00 0.00 H new ATOM 0 HH TYR A 67 -2.402 5.883 3.441 1.00 0.00 H new ATOM 1100 N GLU A 68 4.120 7.861 0.807 1.00 0.00 N ATOM 1101 CA GLU A 68 4.396 9.013 1.660 1.00 0.00 C ATOM 1102 C GLU A 68 4.535 10.281 0.824 1.00 0.00 C ATOM 1103 O GLU A 68 4.014 11.330 1.189 1.00 0.00 O ATOM 1104 CB GLU A 68 5.682 8.771 2.455 1.00 0.00 C ATOM 1105 CG GLU A 68 5.942 9.954 3.396 1.00 0.00 C ATOM 1106 CD GLU A 68 7.086 9.636 4.362 1.00 0.00 C ATOM 1107 OE1 GLU A 68 7.613 8.535 4.301 1.00 0.00 O ATOM 1108 OE2 GLU A 68 7.419 10.504 5.152 1.00 0.00 O ATOM 0 H GLU A 68 4.767 7.082 0.927 1.00 0.00 H new ATOM 0 HA GLU A 68 3.562 9.143 2.349 1.00 0.00 H new ATOM 0 HB2 GLU A 68 5.597 7.849 3.030 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.523 8.645 1.774 1.00 0.00 H new ATOM 0 HG2 GLU A 68 6.188 10.842 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 68 5.037 10.183 3.959 1.00 0.00 H new ATOM 1115 N SER A 69 5.246 10.174 -0.293 1.00 0.00 N ATOM 1116 CA SER A 69 5.459 11.315 -1.179 1.00 0.00 C ATOM 1117 C SER A 69 4.134 11.910 -1.657 1.00 0.00 C ATOM 1118 O SER A 69 4.053 13.109 -1.932 1.00 0.00 O ATOM 1119 CB SER A 69 6.292 10.885 -2.387 1.00 0.00 C ATOM 1120 OG SER A 69 6.500 12.005 -3.238 1.00 0.00 O ATOM 0 H SER A 69 5.685 9.309 -0.607 1.00 0.00 H new ATOM 0 HA SER A 69 5.991 12.081 -0.615 1.00 0.00 H new ATOM 0 HB2 SER A 69 7.249 10.481 -2.058 1.00 0.00 H new ATOM 0 HB3 SER A 69 5.781 10.090 -2.931 1.00 0.00 H new ATOM 0 HG SER A 69 7.035 11.732 -4.012 1.00 0.00 H new ATOM 1126 N GLU A 70 3.101 11.075 -1.765 1.00 0.00 N ATOM 1127 CA GLU A 70 1.795 11.552 -2.226 1.00 0.00 C ATOM 1128 C GLU A 70 1.007 12.174 -1.079 1.00 0.00 C ATOM 1129 O GLU A 70 0.221 13.100 -1.287 1.00 0.00 O ATOM 1130 CB GLU A 70 0.987 10.389 -2.809 1.00 0.00 C ATOM 1131 CG GLU A 70 1.824 9.642 -3.851 1.00 0.00 C ATOM 1132 CD GLU A 70 1.223 9.828 -5.243 1.00 0.00 C ATOM 1133 OE1 GLU A 70 0.054 9.517 -5.409 1.00 0.00 O ATOM 1134 OE2 GLU A 70 1.940 10.276 -6.122 1.00 0.00 O ATOM 0 H GLU A 70 3.139 10.080 -1.544 1.00 0.00 H new ATOM 0 HA GLU A 70 1.966 12.308 -2.993 1.00 0.00 H new ATOM 0 HB2 GLU A 70 0.689 9.707 -2.013 1.00 0.00 H new ATOM 0 HB3 GLU A 70 0.072 10.764 -3.267 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.849 10.012 -3.837 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.864 8.581 -3.603 1.00 0.00 H new ATOM 1141 N VAL A 71 1.231 11.669 0.129 1.00 0.00 N ATOM 1142 CA VAL A 71 0.546 12.192 1.308 1.00 0.00 C ATOM 1143 C VAL A 71 1.374 13.309 1.932 1.00 0.00 C ATOM 1144 O VAL A 71 0.876 14.100 2.734 1.00 0.00 O ATOM 1145 CB VAL A 71 0.325 11.069 2.331 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -0.839 11.439 3.256 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -0.003 9.761 1.598 1.00 0.00 C ATOM 0 H VAL A 71 1.877 10.903 0.318 1.00 0.00 H new ATOM 0 HA VAL A 71 -0.423 12.590 1.008 1.00 0.00 H new ATOM 0 HB VAL A 71 1.232 10.937 2.922 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -0.995 10.641 3.982 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -0.607 12.366 3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.745 11.574 2.665 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -0.159 8.965 2.326 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -0.908 9.893 1.005 1.00 0.00 H new ATOM 0 HG23 VAL A 71 0.825 9.494 0.941 1.00 0.00 H new ATOM 1157 N HIS A 72 2.646 13.356 1.549 1.00 0.00 N ATOM 1158 CA HIS A 72 3.568 14.363 2.056 1.00 0.00 C ATOM 1159 C HIS A 72 3.341 15.700 1.350 1.00 0.00 C ATOM 1160 O HIS A 72 3.940 16.714 1.713 1.00 0.00 O ATOM 1161 CB HIS A 72 5.010 13.885 1.839 1.00 0.00 C ATOM 1162 CG HIS A 72 5.977 14.932 2.321 1.00 0.00 C ATOM 1163 ND1 HIS A 72 5.850 15.542 3.560 1.00 0.00 N ATOM 1164 CD2 HIS A 72 7.089 15.491 1.742 1.00 0.00 C ATOM 1165 CE1 HIS A 72 6.858 16.423 3.685 1.00 0.00 C ATOM 1166 NE2 HIS A 72 7.644 16.432 2.605 1.00 0.00 N ATOM 0 H HIS A 72 3.063 12.703 0.885 1.00 0.00 H new ATOM 0 HA HIS A 72 3.391 14.507 3.122 1.00 0.00 H new ATOM 0 HB2 HIS A 72 5.177 12.950 2.374 1.00 0.00 H new ATOM 0 HB3 HIS A 72 5.179 13.681 0.782 1.00 0.00 H new ATOM 0 HD2 HIS A 72 7.475 15.239 0.765 1.00 0.00 H new ATOM 0 HE1 HIS A 72 7.013 17.047 4.553 1.00 0.00 H new ATOM 0 HE2 HIS A 72 8.473 17.005 2.447 1.00 0.00 H new ATOM 1175 N GLY A 73 2.467 15.693 0.345 1.00 0.00 N ATOM 1176 CA GLY A 73 2.162 16.907 -0.404 1.00 0.00 C ATOM 1177 C GLY A 73 0.894 17.569 0.126 1.00 0.00 C ATOM 1178 O GLY A 73 0.871 18.775 0.375 1.00 0.00 O ATOM 0 H GLY A 73 1.961 14.864 0.033 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.998 17.603 -0.332 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.037 16.666 -1.460 1.00 0.00 H new ATOM 1182 N ARG A 74 -0.158 16.772 0.298 1.00 0.00 N ATOM 1183 CA ARG A 74 -1.425 17.287 0.799 1.00 0.00 C ATOM 1184 C ARG A 74 -1.391 17.416 2.320 1.00 0.00 C ATOM 1185 O ARG A 74 -0.773 16.605 3.010 1.00 0.00 O ATOM 1186 CB ARG A 74 -2.562 16.351 0.381 1.00 0.00 C ATOM 1187 CG ARG A 74 -2.479 15.041 1.172 1.00 0.00 C ATOM 1188 CD ARG A 74 -3.154 13.920 0.379 1.00 0.00 C ATOM 1189 NE ARG A 74 -4.553 14.253 0.117 1.00 0.00 N ATOM 1190 CZ ARG A 74 -5.533 13.836 0.919 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -5.263 13.115 1.974 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -6.770 14.151 0.649 1.00 0.00 N ATOM 0 H ARG A 74 -0.156 15.772 0.098 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.593 18.276 0.373 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -3.524 16.832 0.558 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.500 16.145 -0.688 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -1.437 14.787 1.366 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.964 15.158 2.141 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -2.628 13.764 -0.563 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -3.094 12.985 0.936 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.785 14.818 -0.700 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.297 12.867 2.189 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -6.018 12.800 2.583 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.985 14.715 -0.174 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.522 13.834 1.260 1.00 0.00 H new ATOM 1206 N LEU A 75 -2.064 18.444 2.831 1.00 0.00 N ATOM 1207 CA LEU A 75 -2.116 18.684 4.270 1.00 0.00 C ATOM 1208 C LEU A 75 -3.509 18.362 4.807 1.00 0.00 C ATOM 1209 O LEU A 75 -3.964 18.955 5.787 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.762 20.150 4.568 1.00 0.00 C ATOM 1211 CG LEU A 75 -0.253 20.294 4.822 1.00 0.00 C ATOM 1212 CD1 LEU A 75 0.147 19.487 6.063 1.00 0.00 C ATOM 1213 CD2 LEU A 75 0.531 19.786 3.605 1.00 0.00 C ATOM 0 H LEU A 75 -2.580 19.123 2.271 1.00 0.00 H new ATOM 0 HA LEU A 75 -1.392 18.036 4.763 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.058 20.780 3.729 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -2.319 20.496 5.439 1.00 0.00 H new ATOM 0 HG LEU A 75 -0.021 21.346 4.987 1.00 0.00 H new ATOM 0 HD11 LEU A 75 1.218 19.594 6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.400 19.858 6.930 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.092 18.435 5.906 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.600 19.891 3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.294 18.736 3.432 1.00 0.00 H new ATOM 0 HD23 LEU A 75 0.257 20.370 2.726 1.00 0.00 H new ATOM 1225 N GLU A 76 -4.180 17.420 4.150 1.00 0.00 N ATOM 1226 CA GLU A 76 -5.524 17.021 4.555 1.00 0.00 C ATOM 1227 C GLU A 76 -5.466 15.964 5.658 1.00 0.00 C ATOM 1228 O GLU A 76 -6.142 14.936 5.586 1.00 0.00 O ATOM 1229 CB GLU A 76 -6.289 16.474 3.346 1.00 0.00 C ATOM 1230 CG GLU A 76 -6.356 17.549 2.256 1.00 0.00 C ATOM 1231 CD GLU A 76 -7.583 17.329 1.376 1.00 0.00 C ATOM 1232 OE1 GLU A 76 -8.679 17.595 1.842 1.00 0.00 O ATOM 1233 OE2 GLU A 76 -7.409 16.902 0.246 1.00 0.00 O ATOM 0 H GLU A 76 -3.817 16.921 3.338 1.00 0.00 H new ATOM 0 HA GLU A 76 -6.043 17.897 4.945 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -5.794 15.582 2.962 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -7.295 16.178 3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -6.399 18.538 2.712 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -5.452 17.518 1.647 1.00 0.00 H new ATOM 1240 N HIS A 77 -4.656 16.233 6.679 1.00 0.00 N ATOM 1241 CA HIS A 77 -4.510 15.313 7.803 1.00 0.00 C ATOM 1242 C HIS A 77 -4.858 16.022 9.111 1.00 0.00 C ATOM 1243 O HIS A 77 -4.320 15.697 10.171 1.00 0.00 O ATOM 1244 CB HIS A 77 -3.070 14.787 7.861 1.00 0.00 C ATOM 1245 CG HIS A 77 -3.039 13.452 8.559 1.00 0.00 C ATOM 1246 ND1 HIS A 77 -3.958 12.803 9.349 1.00 0.00 N flip ATOM 1247 CD2 HIS A 77 -1.941 12.608 8.487 1.00 0.00 C flip ATOM 1248 CE1 HIS A 77 -3.441 11.579 9.760 1.00 0.00 C flip ATOM 1249 NE2 HIS A 77 -2.224 11.512 9.214 1.00 0.00 N flip ATOM 0 H HIS A 77 -4.092 17.080 6.751 1.00 0.00 H new ATOM 0 HA HIS A 77 -5.192 14.474 7.665 1.00 0.00 H new ATOM 0 HB2 HIS A 77 -2.669 14.689 6.852 1.00 0.00 H new ATOM 0 HB3 HIS A 77 -2.435 15.498 8.389 1.00 0.00 H new ATOM 0 HD2 HIS A 77 -1.025 12.796 7.946 1.00 0.00 H new ATOM 0 HE1 HIS A 77 -3.921 10.841 10.386 1.00 0.00 H new ATOM 0 HE2 HIS A 77 -1.586 10.725 9.334 1.00 0.00 H new ATOM 1258 N HIS A 78 -5.759 16.998 9.023 1.00 0.00 N ATOM 1259 CA HIS A 78 -6.176 17.759 10.198 1.00 0.00 C ATOM 1260 C HIS A 78 -7.542 17.281 10.694 1.00 0.00 C ATOM 1261 O HIS A 78 -8.471 18.077 10.849 1.00 0.00 O ATOM 1262 CB HIS A 78 -6.235 19.252 9.851 1.00 0.00 C ATOM 1263 CG HIS A 78 -6.492 20.059 11.097 1.00 0.00 C ATOM 1264 ND1 HIS A 78 -6.543 19.483 12.358 1.00 0.00 N ATOM 1265 CD2 HIS A 78 -6.722 21.399 11.288 1.00 0.00 C ATOM 1266 CE1 HIS A 78 -6.794 20.465 13.242 1.00 0.00 C ATOM 1267 NE2 HIS A 78 -6.912 21.653 12.643 1.00 0.00 N ATOM 0 H HIS A 78 -6.213 17.280 8.154 1.00 0.00 H new ATOM 0 HA HIS A 78 -5.448 17.601 10.994 1.00 0.00 H new ATOM 0 HB2 HIS A 78 -5.297 19.565 9.392 1.00 0.00 H new ATOM 0 HB3 HIS A 78 -7.024 19.434 9.121 1.00 0.00 H new ATOM 0 HD2 HIS A 78 -6.751 22.143 10.506 1.00 0.00 H new ATOM 0 HE1 HIS A 78 -6.889 20.312 14.307 1.00 0.00 H new ATOM 0 HE2 HIS A 78 -7.101 22.553 13.084 1.00 0.00 H new ATOM 1276 N HIS A 79 -7.649 15.978 10.950 1.00 0.00 N ATOM 1277 CA HIS A 79 -8.898 15.392 11.439 1.00 0.00 C ATOM 1278 C HIS A 79 -10.105 15.990 10.716 1.00 0.00 C ATOM 1279 O HIS A 79 -10.919 16.692 11.318 1.00 0.00 O ATOM 1280 CB HIS A 79 -9.029 15.633 12.948 1.00 0.00 C ATOM 1281 CG HIS A 79 -7.806 15.111 13.653 1.00 0.00 C ATOM 1282 ND1 HIS A 79 -7.771 13.856 14.242 1.00 0.00 N ATOM 1283 CD2 HIS A 79 -6.569 15.664 13.874 1.00 0.00 C ATOM 1284 CE1 HIS A 79 -6.551 13.697 14.783 1.00 0.00 C ATOM 1285 NE2 HIS A 79 -5.778 14.769 14.589 1.00 0.00 N ATOM 0 H HIS A 79 -6.889 15.309 10.828 1.00 0.00 H new ATOM 0 HA HIS A 79 -8.874 14.321 11.239 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -9.148 16.698 13.147 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -9.921 15.135 13.329 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -6.257 16.644 13.544 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -6.234 12.810 15.311 1.00 0.00 H new ATOM 0 HE2 HIS A 79 -4.815 14.903 14.898 1.00 0.00 H new ATOM 1294 N HIS A 80 -10.210 15.710 9.420 1.00 0.00 N ATOM 1295 CA HIS A 80 -11.317 16.227 8.618 1.00 0.00 C ATOM 1296 C HIS A 80 -12.594 15.423 8.877 1.00 0.00 C ATOM 1297 O HIS A 80 -12.740 14.797 9.929 1.00 0.00 O ATOM 1298 CB HIS A 80 -10.948 16.171 7.131 1.00 0.00 C ATOM 1299 CG HIS A 80 -10.595 14.759 6.750 1.00 0.00 C ATOM 1300 ND1 HIS A 80 -11.557 13.827 6.392 1.00 0.00 N ATOM 1301 CD2 HIS A 80 -9.391 14.105 6.668 1.00 0.00 C ATOM 1302 CE1 HIS A 80 -10.922 12.675 6.113 1.00 0.00 C ATOM 1303 NE2 HIS A 80 -9.599 12.790 6.265 1.00 0.00 N ATOM 0 H HIS A 80 -9.547 15.132 8.904 1.00 0.00 H new ATOM 0 HA HIS A 80 -11.503 17.263 8.903 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -11.783 16.524 6.525 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -10.106 16.834 6.930 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -8.428 14.545 6.884 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -11.420 11.768 5.804 1.00 0.00 H new ATOM 0 HE2 HIS A 80 -8.893 12.068 6.117 1.00 0.00 H new ATOM 1312 N HIS A 81 -13.515 15.450 7.912 1.00 0.00 N ATOM 1313 CA HIS A 81 -14.778 14.726 8.039 1.00 0.00 C ATOM 1314 C HIS A 81 -14.535 13.276 8.452 1.00 0.00 C ATOM 1315 O HIS A 81 -13.758 12.563 7.819 1.00 0.00 O ATOM 1316 CB HIS A 81 -15.534 14.762 6.705 1.00 0.00 C ATOM 1317 CG HIS A 81 -16.733 13.852 6.771 1.00 0.00 C ATOM 1318 ND1 HIS A 81 -17.995 14.313 7.114 1.00 0.00 N ATOM 1319 CD2 HIS A 81 -16.876 12.506 6.539 1.00 0.00 C ATOM 1320 CE1 HIS A 81 -18.834 13.261 7.079 1.00 0.00 C ATOM 1321 NE2 HIS A 81 -18.203 12.135 6.735 1.00 0.00 N ATOM 0 H HIS A 81 -13.409 15.964 7.037 1.00 0.00 H new ATOM 0 HA HIS A 81 -15.375 15.211 8.811 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -15.852 15.781 6.484 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -14.875 14.451 5.895 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -16.080 11.837 6.249 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -19.889 13.320 7.302 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -18.607 11.204 6.637 1.00 0.00 H new ATOM 1330 N HIS A 82 -15.214 12.850 9.514 1.00 0.00 N ATOM 1331 CA HIS A 82 -15.073 11.485 10.006 1.00 0.00 C ATOM 1332 C HIS A 82 -15.966 10.537 9.207 1.00 0.00 C ATOM 1333 O HIS A 82 -17.163 10.776 9.164 1.00 0.00 O ATOM 1334 CB HIS A 82 -15.447 11.422 11.490 1.00 0.00 C ATOM 1335 CG HIS A 82 -15.039 10.090 12.057 1.00 0.00 C ATOM 1336 ND1 HIS A 82 -15.581 8.898 11.605 1.00 0.00 N ATOM 1337 CD2 HIS A 82 -14.142 9.747 13.038 1.00 0.00 C ATOM 1338 CE1 HIS A 82 -15.011 7.901 12.307 1.00 0.00 C ATOM 1339 NE2 HIS A 82 -14.126 8.364 13.194 1.00 0.00 N ATOM 1340 OXT HIS A 82 -15.440 9.590 8.648 1.00 0.00 O ATOM 0 H HIS A 82 -15.864 13.428 10.047 1.00 0.00 H new ATOM 0 HA HIS A 82 -14.035 11.177 9.884 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -14.953 12.227 12.034 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -16.520 11.567 11.611 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -13.540 10.444 13.603 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -15.241 6.855 12.170 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -13.560 7.821 13.846 1.00 0.00 H new TER 1349 HIS A 82