USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=24 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 79 HIS : no HD1:sc= -1.2 K(o=-1.5,f=-0.89) USER MOD Set 1.2: A 80 HIS : no HD1:sc= -0.3 K(o=-1.5,f=-0.89) USER MOD Set 2.1: A 32 SER OG : rot -122:sc= 1.41 USER MOD Set 2.2: A 46 TYR OH : rot 180:sc= -0.197 USER MOD Set 3.1: A 13 HIS : no HD1:sc= -6.15! C(o=-14!,f=-7.3!) USER MOD Set 3.2: A 25 ASN : amide:sc= -7.44! C(o=-14!,f=-12!) USER MOD Set 4.1: A 7 TYR OH : rot 8:sc= 0.982 USER MOD Set 4.2: A 11 TYR OH : rot 180:sc= 0 USER MOD Set 5.1: A 1 MET CE :methyl -179:sc= 0 (180deg=0) USER MOD Set 5.2: A 38 THR OG1 : rot 170:sc= 0 USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ -144:sc= -2.12 (180deg=-4.24!) USER MOD Single : A 3 SER OG : rot 129:sc= 1.21 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.86 X(o=-1.9,f=-1.8) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.53 K(o=0.53,f=-0.056) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.571 X(o=-0.57,f=-0.073) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HE2:sc= 0.442 K(o=0.44,f=-3!) USER MOD Single : A 44 SER OG : rot 73:sc= 1.12 USER MOD Single : A 45 SER OG : rot 180:sc= -1.03 USER MOD Single : A 50 ASN : amide:sc= -0.126 K(o=-0.13,f=-5.9!) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 HIS : no HD1:sc= -1.03 K(o=-1,f=-2.3) USER MOD Single : A 56 THR OG1 : rot 15:sc= 1.02 USER MOD Single : A 57 MET CE :methyl -154:sc= -0.0551 (180deg=-0.315) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 K(o=0,f=-2.2!) USER MOD Single : A 67 TYR OH : rot 21:sc= 1.22 USER MOD Single : A 69 SER OG : rot -62:sc= 1.28 USER MOD Single : A 72 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.31) USER MOD Single : A 77 HIS : no HD1:sc= -1.07! C(o=-1.1!,f=-2.5!) USER MOD Single : A 78 HIS : no HD1:sc= -0.0243 X(o=-0.024,f=-0.16) USER MOD Single : A 81 HIS : no HD1:sc= -0.0557 X(o=-0.056,f=-0.06) USER MOD Single : A 82 HIS : no HD1:sc= -0.302 X(o=-0.3,f=-0.00042) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.333 10.659 4.754 1.00 0.00 N ATOM 2 CA MET A 1 -4.561 9.387 4.662 1.00 0.00 C ATOM 3 C MET A 1 -5.516 8.240 4.336 1.00 0.00 C ATOM 4 O MET A 1 -5.928 7.488 5.221 1.00 0.00 O ATOM 5 CB MET A 1 -3.851 9.128 5.996 1.00 0.00 C ATOM 6 CG MET A 1 -2.807 8.020 5.824 1.00 0.00 C ATOM 7 SD MET A 1 -2.056 7.650 7.429 1.00 0.00 S ATOM 8 CE MET A 1 -0.680 6.644 6.819 1.00 0.00 C ATOM 0 H1 MET A 1 -4.686 11.442 4.976 1.00 0.00 H new ATOM 0 H2 MET A 1 -5.804 10.846 3.846 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.048 10.578 5.505 1.00 0.00 H new ATOM 0 HA MET A 1 -3.813 9.460 3.872 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.370 10.042 6.346 1.00 0.00 H new ATOM 0 HB3 MET A 1 -4.578 8.840 6.755 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.274 7.125 5.413 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.041 8.333 5.115 1.00 0.00 H new ATOM 0 HE1 MET A 1 -0.086 6.290 7.662 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.071 5.790 6.266 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.053 7.246 6.161 1.00 0.00 H new ATOM 20 N LYS A 2 -5.863 8.116 3.058 1.00 0.00 N ATOM 21 CA LYS A 2 -6.769 7.061 2.615 1.00 0.00 C ATOM 22 C LYS A 2 -6.140 5.686 2.823 1.00 0.00 C ATOM 23 O LYS A 2 -4.918 5.561 2.921 1.00 0.00 O ATOM 24 CB LYS A 2 -7.116 7.253 1.134 1.00 0.00 C ATOM 25 CG LYS A 2 -5.833 7.262 0.289 1.00 0.00 C ATOM 26 CD LYS A 2 -5.475 8.701 -0.097 1.00 0.00 C ATOM 27 CE LYS A 2 -4.441 8.690 -1.227 1.00 0.00 C ATOM 28 NZ LYS A 2 -3.300 7.807 -0.854 1.00 0.00 N ATOM 0 H LYS A 2 -5.532 8.730 2.314 1.00 0.00 H new ATOM 0 HA LYS A 2 -7.681 7.121 3.210 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -7.775 6.452 0.800 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.657 8.189 0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.014 6.812 0.850 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -5.974 6.659 -0.608 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -6.370 9.236 -0.415 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -5.077 9.232 0.768 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -4.900 8.337 -2.150 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.084 9.702 -1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -2.414 8.212 -1.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -3.245 7.729 0.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -3.443 6.862 -1.265 1.00 0.00 H new ATOM 42 N SER A 3 -6.981 4.657 2.891 1.00 0.00 N ATOM 43 CA SER A 3 -6.493 3.297 3.087 1.00 0.00 C ATOM 44 C SER A 3 -5.560 2.890 1.950 1.00 0.00 C ATOM 45 O SER A 3 -5.823 3.185 0.781 1.00 0.00 O ATOM 46 CB SER A 3 -7.669 2.324 3.155 1.00 0.00 C ATOM 47 OG SER A 3 -7.186 1.035 3.510 1.00 0.00 O ATOM 0 H SER A 3 -7.995 4.739 2.814 1.00 0.00 H new ATOM 0 HA SER A 3 -5.939 3.264 4.025 1.00 0.00 H new ATOM 0 HB2 SER A 3 -8.399 2.667 3.888 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.179 2.283 2.193 1.00 0.00 H new ATOM 0 HG SER A 3 -7.706 0.687 4.265 1.00 0.00 H new ATOM 53 N PHE A 4 -4.470 2.211 2.300 1.00 0.00 N ATOM 54 CA PHE A 4 -3.499 1.761 1.307 1.00 0.00 C ATOM 55 C PHE A 4 -4.178 0.903 0.241 1.00 0.00 C ATOM 56 O PHE A 4 -3.900 1.043 -0.950 1.00 0.00 O ATOM 57 CB PHE A 4 -2.391 0.953 1.990 1.00 0.00 C ATOM 58 CG PHE A 4 -1.262 0.710 1.014 1.00 0.00 C ATOM 59 CD1 PHE A 4 -1.296 -0.403 0.165 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.180 1.597 0.960 1.00 0.00 C ATOM 61 CE1 PHE A 4 -0.250 -0.627 -0.740 1.00 0.00 C ATOM 62 CE2 PHE A 4 0.865 1.372 0.057 1.00 0.00 C ATOM 63 CZ PHE A 4 0.830 0.261 -0.793 1.00 0.00 C ATOM 0 H PHE A 4 -4.238 1.961 3.261 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.065 2.638 0.826 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.021 1.491 2.863 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.788 0.002 2.346 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -2.129 -1.089 0.208 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.152 2.455 1.615 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -0.277 -1.484 -1.396 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.699 2.057 0.016 1.00 0.00 H new ATOM 0 HZ PHE A 4 1.637 0.089 -1.490 1.00 0.00 H new ATOM 73 N TYR A 5 -5.067 0.017 0.684 1.00 0.00 N ATOM 74 CA TYR A 5 -5.783 -0.865 -0.232 1.00 0.00 C ATOM 75 C TYR A 5 -6.580 -0.054 -1.254 1.00 0.00 C ATOM 76 O TYR A 5 -6.638 -0.412 -2.431 1.00 0.00 O ATOM 77 CB TYR A 5 -6.727 -1.778 0.557 1.00 0.00 C ATOM 78 CG TYR A 5 -7.511 -2.647 -0.399 1.00 0.00 C ATOM 79 CD1 TYR A 5 -6.868 -3.675 -1.103 1.00 0.00 C ATOM 80 CD2 TYR A 5 -8.881 -2.426 -0.582 1.00 0.00 C ATOM 81 CE1 TYR A 5 -7.596 -4.479 -1.988 1.00 0.00 C ATOM 82 CE2 TYR A 5 -9.608 -3.231 -1.468 1.00 0.00 C ATOM 83 CZ TYR A 5 -8.965 -4.257 -2.171 1.00 0.00 C ATOM 84 OH TYR A 5 -9.681 -5.049 -3.042 1.00 0.00 O ATOM 0 H TYR A 5 -5.308 -0.108 1.667 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.053 -1.473 -0.767 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -6.155 -2.401 1.245 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -7.408 -1.178 1.161 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -5.811 -3.847 -0.962 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -9.377 -1.635 -0.040 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.100 -5.271 -2.530 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -10.665 -3.060 -1.609 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.618 -4.762 -3.050 1.00 0.00 H new ATOM 94 N HIS A 6 -7.193 1.037 -0.797 1.00 0.00 N ATOM 95 CA HIS A 6 -7.983 1.888 -1.683 1.00 0.00 C ATOM 96 C HIS A 6 -7.089 2.586 -2.696 1.00 0.00 C ATOM 97 O HIS A 6 -7.362 2.565 -3.895 1.00 0.00 O ATOM 98 CB HIS A 6 -8.727 2.942 -0.884 1.00 0.00 C ATOM 99 CG HIS A 6 -9.670 2.281 0.087 1.00 0.00 C ATOM 100 ND1 HIS A 6 -9.953 0.924 0.039 1.00 0.00 N ATOM 101 CD2 HIS A 6 -10.402 2.779 1.135 1.00 0.00 C ATOM 102 CE1 HIS A 6 -10.821 0.656 1.031 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.127 1.752 1.730 1.00 0.00 N ATOM 0 H HIS A 6 -7.158 1.350 0.173 1.00 0.00 H new ATOM 0 HA HIS A 6 -8.696 1.250 -2.205 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.017 3.570 -0.345 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.283 3.595 -1.557 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -10.414 3.812 1.450 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.222 -0.326 1.237 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -11.757 1.821 2.529 1.00 0.00 H new ATOM 112 N TYR A 7 -6.010 3.200 -2.213 1.00 0.00 N ATOM 113 CA TYR A 7 -5.091 3.876 -3.114 1.00 0.00 C ATOM 114 C TYR A 7 -4.650 2.867 -4.159 1.00 0.00 C ATOM 115 O TYR A 7 -4.699 3.128 -5.361 1.00 0.00 O ATOM 116 CB TYR A 7 -3.881 4.408 -2.340 1.00 0.00 C ATOM 117 CG TYR A 7 -2.817 4.873 -3.309 1.00 0.00 C ATOM 118 CD1 TYR A 7 -2.863 6.171 -3.832 1.00 0.00 C ATOM 119 CD2 TYR A 7 -1.782 4.005 -3.682 1.00 0.00 C ATOM 120 CE1 TYR A 7 -1.877 6.602 -4.726 1.00 0.00 C ATOM 121 CE2 TYR A 7 -0.796 4.435 -4.576 1.00 0.00 C ATOM 122 CZ TYR A 7 -0.842 5.733 -5.099 1.00 0.00 C ATOM 123 OH TYR A 7 0.131 6.157 -5.981 1.00 0.00 O ATOM 0 H TYR A 7 -5.758 3.241 -1.226 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.579 4.727 -3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.184 5.233 -1.695 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.480 3.628 -1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.661 6.840 -3.545 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -1.746 3.004 -3.279 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -1.913 7.604 -5.129 1.00 0.00 H new ATOM 0 HE2 TYR A 7 0.001 3.765 -4.863 1.00 0.00 H new ATOM 0 HH TYR A 7 0.021 7.115 -6.153 1.00 0.00 H new ATOM 133 N LEU A 8 -4.263 1.693 -3.674 1.00 0.00 N ATOM 134 CA LEU A 8 -3.859 0.605 -4.544 1.00 0.00 C ATOM 135 C LEU A 8 -4.997 0.245 -5.499 1.00 0.00 C ATOM 136 O LEU A 8 -4.753 -0.187 -6.626 1.00 0.00 O ATOM 137 CB LEU A 8 -3.480 -0.624 -3.709 1.00 0.00 C ATOM 138 CG LEU A 8 -2.394 -1.430 -4.430 1.00 0.00 C ATOM 139 CD1 LEU A 8 -1.074 -0.649 -4.417 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.205 -2.774 -3.717 1.00 0.00 C ATOM 0 H LEU A 8 -4.222 1.474 -2.679 1.00 0.00 H new ATOM 0 HA LEU A 8 -2.993 0.925 -5.124 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.122 -0.312 -2.728 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.359 -1.248 -3.544 1.00 0.00 H new ATOM 0 HG LEU A 8 -2.695 -1.603 -5.463 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.305 -1.226 -4.931 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.211 0.306 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -0.767 -0.471 -3.386 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -1.433 -3.351 -4.227 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -1.904 -2.599 -2.684 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.143 -3.329 -3.733 1.00 0.00 H new ATOM 152 N LEU A 9 -6.246 0.421 -5.040 1.00 0.00 N ATOM 153 CA LEU A 9 -7.402 0.099 -5.880 1.00 0.00 C ATOM 154 C LEU A 9 -7.410 0.953 -7.147 1.00 0.00 C ATOM 155 O LEU A 9 -7.993 0.567 -8.160 1.00 0.00 O ATOM 156 CB LEU A 9 -8.711 0.293 -5.103 1.00 0.00 C ATOM 157 CG LEU A 9 -9.367 -1.069 -4.850 1.00 0.00 C ATOM 158 CD1 LEU A 9 -10.508 -0.904 -3.845 1.00 0.00 C ATOM 159 CD2 LEU A 9 -9.920 -1.629 -6.168 1.00 0.00 C ATOM 0 H LEU A 9 -6.475 0.777 -4.112 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.322 -0.949 -6.170 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -8.512 0.794 -4.155 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.388 0.935 -5.667 1.00 0.00 H new ATOM 0 HG LEU A 9 -8.625 -1.760 -4.449 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -10.976 -1.872 -3.664 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.114 -0.510 -2.908 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.249 -0.212 -4.246 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.386 -2.597 -5.985 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.662 -0.940 -6.573 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.106 -1.747 -6.883 1.00 0.00 H new ATOM 171 N LYS A 10 -6.757 2.111 -7.082 1.00 0.00 N ATOM 172 CA LYS A 10 -6.690 3.014 -8.230 1.00 0.00 C ATOM 173 C LYS A 10 -5.820 2.407 -9.330 1.00 0.00 C ATOM 174 O LYS A 10 -5.894 2.812 -10.491 1.00 0.00 O ATOM 175 CB LYS A 10 -6.109 4.361 -7.793 1.00 0.00 C ATOM 176 CG LYS A 10 -6.031 5.308 -8.996 1.00 0.00 C ATOM 177 CD LYS A 10 -5.907 6.753 -8.506 1.00 0.00 C ATOM 178 CE LYS A 10 -7.301 7.365 -8.357 1.00 0.00 C ATOM 179 NZ LYS A 10 -7.251 8.478 -7.369 1.00 0.00 N ATOM 0 H LYS A 10 -6.269 2.446 -6.251 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.696 3.164 -8.621 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -6.731 4.800 -7.013 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -5.116 4.218 -7.366 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -5.175 5.050 -9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -6.921 5.199 -9.616 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.383 6.780 -7.551 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -5.316 7.337 -9.211 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.652 7.735 -9.320 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.010 6.605 -8.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.198 8.895 -7.267 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -6.933 8.112 -6.449 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.586 9.206 -7.700 1.00 0.00 H new ATOM 193 N TYR A 11 -5.014 1.419 -8.955 1.00 0.00 N ATOM 194 CA TYR A 11 -4.151 0.734 -9.901 1.00 0.00 C ATOM 195 C TYR A 11 -4.828 -0.559 -10.330 1.00 0.00 C ATOM 196 O TYR A 11 -4.234 -1.638 -10.298 1.00 0.00 O ATOM 197 CB TYR A 11 -2.789 0.456 -9.261 1.00 0.00 C ATOM 198 CG TYR A 11 -1.954 1.715 -9.309 1.00 0.00 C ATOM 199 CD1 TYR A 11 -1.452 2.173 -10.533 1.00 0.00 C ATOM 200 CD2 TYR A 11 -1.688 2.428 -8.132 1.00 0.00 C ATOM 201 CE1 TYR A 11 -0.684 3.343 -10.581 1.00 0.00 C ATOM 202 CE2 TYR A 11 -0.921 3.597 -8.181 1.00 0.00 C ATOM 203 CZ TYR A 11 -0.418 4.055 -9.405 1.00 0.00 C ATOM 204 OH TYR A 11 0.337 5.209 -9.453 1.00 0.00 O ATOM 0 H TYR A 11 -4.943 1.076 -7.997 1.00 0.00 H new ATOM 0 HA TYR A 11 -3.985 1.358 -10.779 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -2.918 0.129 -8.229 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.283 -0.351 -9.790 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -1.657 1.624 -11.440 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.075 2.075 -7.188 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -0.297 3.696 -11.525 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -0.717 4.147 -7.274 1.00 0.00 H new ATOM 0 HH TYR A 11 0.426 5.580 -8.550 1.00 0.00 H new ATOM 214 N ARG A 12 -6.096 -0.418 -10.706 1.00 0.00 N ATOM 215 CA ARG A 12 -6.932 -1.541 -11.130 1.00 0.00 C ATOM 216 C ARG A 12 -6.142 -2.571 -11.935 1.00 0.00 C ATOM 217 O ARG A 12 -5.152 -2.246 -12.592 1.00 0.00 O ATOM 218 CB ARG A 12 -8.090 -1.017 -11.981 1.00 0.00 C ATOM 219 CG ARG A 12 -8.947 -0.045 -11.165 1.00 0.00 C ATOM 220 CD ARG A 12 -9.827 -0.826 -10.184 1.00 0.00 C ATOM 221 NE ARG A 12 -10.904 -1.503 -10.900 1.00 0.00 N ATOM 222 CZ ARG A 12 -11.802 -2.246 -10.257 1.00 0.00 C ATOM 223 NH1 ARG A 12 -11.740 -2.377 -8.960 1.00 0.00 N ATOM 224 NH2 ARG A 12 -12.752 -2.841 -10.927 1.00 0.00 N ATOM 0 H ARG A 12 -6.576 0.482 -10.726 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.307 -2.034 -10.233 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -7.702 -0.515 -12.867 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.702 -1.850 -12.328 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.307 0.649 -10.620 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.570 0.552 -11.831 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -9.223 -1.557 -9.645 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.245 -0.148 -9.440 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.970 -1.405 -11.913 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -11.001 -1.909 -8.435 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.430 -2.947 -8.471 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -12.804 -2.736 -11.940 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.442 -3.411 -10.437 1.00 0.00 H new ATOM 238 N HIS A 13 -6.599 -3.820 -11.872 1.00 0.00 N ATOM 239 CA HIS A 13 -5.944 -4.911 -12.582 1.00 0.00 C ATOM 240 C HIS A 13 -6.143 -4.781 -14.092 1.00 0.00 C ATOM 241 O HIS A 13 -5.176 -4.849 -14.849 1.00 0.00 O ATOM 242 CB HIS A 13 -6.484 -6.267 -12.075 1.00 0.00 C ATOM 243 CG HIS A 13 -6.852 -7.186 -13.220 1.00 0.00 C ATOM 244 ND1 HIS A 13 -8.057 -7.870 -13.244 1.00 0.00 N ATOM 245 CD2 HIS A 13 -6.195 -7.553 -14.374 1.00 0.00 C ATOM 246 CE1 HIS A 13 -8.088 -8.605 -14.371 1.00 0.00 C ATOM 247 NE2 HIS A 13 -6.977 -8.448 -15.095 1.00 0.00 N ATOM 0 H HIS A 13 -7.421 -4.099 -11.336 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.873 -4.860 -12.383 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.731 -6.748 -11.450 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -7.359 -6.099 -11.448 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -5.220 -7.199 -14.673 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -8.911 -9.244 -14.655 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -6.751 -8.890 -15.986 1.00 0.00 H new ATOM 256 N PRO A 14 -7.363 -4.616 -14.539 1.00 0.00 N ATOM 257 CA PRO A 14 -7.680 -4.500 -15.990 1.00 0.00 C ATOM 258 C PRO A 14 -6.640 -3.698 -16.772 1.00 0.00 C ATOM 259 O PRO A 14 -6.493 -2.490 -16.580 1.00 0.00 O ATOM 260 CB PRO A 14 -9.041 -3.806 -15.991 1.00 0.00 C ATOM 261 CG PRO A 14 -9.703 -4.253 -14.730 1.00 0.00 C ATOM 262 CD PRO A 14 -8.585 -4.515 -13.715 1.00 0.00 C ATOM 0 HA PRO A 14 -7.683 -5.470 -16.487 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.931 -2.722 -16.016 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -9.627 -4.088 -16.866 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -10.389 -3.490 -14.362 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -10.291 -5.155 -14.900 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -8.509 -3.706 -12.988 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -8.764 -5.432 -13.154 1.00 0.00 H new ATOM 270 N LYS A 15 -5.928 -4.395 -17.658 1.00 0.00 N ATOM 271 CA LYS A 15 -4.900 -3.775 -18.491 1.00 0.00 C ATOM 272 C LYS A 15 -3.765 -3.193 -17.645 1.00 0.00 C ATOM 273 O LYS A 15 -3.577 -1.977 -17.597 1.00 0.00 O ATOM 274 CB LYS A 15 -5.517 -2.670 -19.361 1.00 0.00 C ATOM 275 CG LYS A 15 -6.625 -3.262 -20.241 1.00 0.00 C ATOM 276 CD LYS A 15 -7.481 -2.132 -20.820 1.00 0.00 C ATOM 277 CE LYS A 15 -8.573 -1.748 -19.818 1.00 0.00 C ATOM 278 NZ LYS A 15 -9.209 -0.469 -20.243 1.00 0.00 N ATOM 0 H LYS A 15 -6.046 -5.396 -17.817 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.482 -4.552 -19.131 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -5.924 -1.881 -18.729 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -4.749 -2.214 -19.985 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -6.187 -3.850 -21.048 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -7.247 -3.939 -19.654 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.857 -1.267 -21.042 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -7.932 -2.449 -21.760 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -9.322 -2.538 -19.760 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -8.145 -1.640 -18.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.951 -0.207 -19.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -8.490 0.282 -20.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.630 -0.588 -21.186 1.00 0.00 H new ATOM 292 N PRO A 16 -2.994 -4.034 -16.999 1.00 0.00 N ATOM 293 CA PRO A 16 -1.840 -3.584 -16.165 1.00 0.00 C ATOM 294 C PRO A 16 -0.701 -3.067 -17.044 1.00 0.00 C ATOM 295 O PRO A 16 -0.768 -3.171 -18.269 1.00 0.00 O ATOM 296 CB PRO A 16 -1.424 -4.838 -15.394 1.00 0.00 C ATOM 297 CG PRO A 16 -1.922 -5.993 -16.202 1.00 0.00 C ATOM 298 CD PRO A 16 -3.137 -5.500 -16.991 1.00 0.00 C ATOM 0 HA PRO A 16 -2.097 -2.759 -15.501 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.342 -4.882 -15.273 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -1.857 -4.844 -14.394 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.146 -6.354 -16.876 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.195 -6.826 -15.555 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.145 -5.905 -18.003 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -4.070 -5.806 -16.518 1.00 0.00 H new ATOM 306 N LYS A 17 0.336 -2.505 -16.423 1.00 0.00 N ATOM 307 CA LYS A 17 1.463 -1.971 -17.188 1.00 0.00 C ATOM 308 C LYS A 17 2.775 -2.103 -16.417 1.00 0.00 C ATOM 309 O LYS A 17 3.592 -2.975 -16.714 1.00 0.00 O ATOM 310 CB LYS A 17 1.218 -0.491 -17.517 1.00 0.00 C ATOM 311 CG LYS A 17 0.254 -0.367 -18.706 1.00 0.00 C ATOM 312 CD LYS A 17 -1.129 0.063 -18.205 1.00 0.00 C ATOM 313 CE LYS A 17 -2.088 0.197 -19.391 1.00 0.00 C ATOM 314 NZ LYS A 17 -1.864 1.504 -20.072 1.00 0.00 N ATOM 0 H LYS A 17 0.420 -2.408 -15.411 1.00 0.00 H new ATOM 0 HA LYS A 17 1.543 -2.550 -18.108 1.00 0.00 H new ATOM 0 HB2 LYS A 17 0.803 0.019 -16.648 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.163 -0.002 -17.752 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.635 0.362 -19.422 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.182 -1.320 -19.229 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -1.513 -0.669 -17.495 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.056 1.013 -17.675 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.930 -0.622 -20.093 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.120 0.127 -19.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -2.517 1.592 -20.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -2.036 2.279 -19.400 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.883 1.553 -20.414 1.00 0.00 H new ATOM 328 N ASP A 18 2.981 -1.219 -15.443 1.00 0.00 N ATOM 329 CA ASP A 18 4.212 -1.230 -14.654 1.00 0.00 C ATOM 330 C ASP A 18 4.169 -2.298 -13.565 1.00 0.00 C ATOM 331 O ASP A 18 3.104 -2.816 -13.228 1.00 0.00 O ATOM 332 CB ASP A 18 4.422 0.146 -14.015 1.00 0.00 C ATOM 333 CG ASP A 18 4.624 1.199 -15.102 1.00 0.00 C ATOM 334 OD1 ASP A 18 3.635 1.638 -15.667 1.00 0.00 O ATOM 335 OD2 ASP A 18 5.765 1.551 -15.353 1.00 0.00 O ATOM 0 H ASP A 18 2.317 -0.490 -15.182 1.00 0.00 H new ATOM 0 HA ASP A 18 5.041 -1.463 -15.323 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.560 0.406 -13.400 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.289 0.121 -13.355 1.00 0.00 H new ATOM 340 N SER A 19 5.345 -2.621 -13.021 1.00 0.00 N ATOM 341 CA SER A 19 5.451 -3.628 -11.967 1.00 0.00 C ATOM 342 C SER A 19 4.509 -3.301 -10.813 1.00 0.00 C ATOM 343 O SER A 19 3.863 -4.192 -10.260 1.00 0.00 O ATOM 344 CB SER A 19 6.889 -3.700 -11.447 1.00 0.00 C ATOM 345 OG SER A 19 6.995 -4.756 -10.501 1.00 0.00 O ATOM 0 H SER A 19 6.233 -2.200 -13.293 1.00 0.00 H new ATOM 0 HA SER A 19 5.170 -4.593 -12.390 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.579 -3.867 -12.274 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.169 -2.753 -10.985 1.00 0.00 H new ATOM 0 HG SER A 19 7.915 -4.805 -10.168 1.00 0.00 H new ATOM 351 N ILE A 20 4.430 -2.019 -10.459 1.00 0.00 N ATOM 352 CA ILE A 20 3.556 -1.592 -9.373 1.00 0.00 C ATOM 353 C ILE A 20 2.105 -1.916 -9.713 1.00 0.00 C ATOM 354 O ILE A 20 1.332 -2.333 -8.850 1.00 0.00 O ATOM 355 CB ILE A 20 3.721 -0.087 -9.119 1.00 0.00 C ATOM 356 CG1 ILE A 20 3.280 0.237 -7.687 1.00 0.00 C ATOM 357 CG2 ILE A 20 2.870 0.717 -10.112 1.00 0.00 C ATOM 358 CD1 ILE A 20 3.866 1.585 -7.262 1.00 0.00 C ATOM 0 H ILE A 20 4.955 -1.267 -10.904 1.00 0.00 H new ATOM 0 HA ILE A 20 3.832 -2.129 -8.466 1.00 0.00 H new ATOM 0 HB ILE A 20 4.768 0.184 -9.253 1.00 0.00 H new ATOM 0 HG12 ILE A 20 2.192 0.268 -7.629 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.614 -0.547 -7.007 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.997 1.783 -9.920 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.188 0.491 -11.130 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.820 0.449 -9.992 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.551 1.814 -6.244 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.954 1.538 -7.304 1.00 0.00 H new ATOM 0 HD13 ILE A 20 3.510 2.365 -7.935 1.00 0.00 H new ATOM 370 N SER A 21 1.752 -1.737 -10.985 1.00 0.00 N ATOM 371 CA SER A 21 0.401 -2.030 -11.441 1.00 0.00 C ATOM 372 C SER A 21 0.124 -3.520 -11.288 1.00 0.00 C ATOM 373 O SER A 21 -0.920 -3.916 -10.772 1.00 0.00 O ATOM 374 CB SER A 21 0.234 -1.622 -12.909 1.00 0.00 C ATOM 375 OG SER A 21 0.752 -0.312 -13.098 1.00 0.00 O ATOM 0 H SER A 21 2.380 -1.393 -11.711 1.00 0.00 H new ATOM 0 HA SER A 21 -0.307 -1.463 -10.837 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.756 -2.328 -13.555 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.819 -1.652 -13.189 1.00 0.00 H new ATOM 0 HG SER A 21 0.647 -0.051 -14.037 1.00 0.00 H new ATOM 381 N GLU A 22 1.081 -4.337 -11.732 1.00 0.00 N ATOM 382 CA GLU A 22 0.955 -5.791 -11.645 1.00 0.00 C ATOM 383 C GLU A 22 0.764 -6.221 -10.197 1.00 0.00 C ATOM 384 O GLU A 22 -0.033 -7.116 -9.905 1.00 0.00 O ATOM 385 CB GLU A 22 2.208 -6.460 -12.216 1.00 0.00 C ATOM 386 CG GLU A 22 2.409 -6.021 -13.671 1.00 0.00 C ATOM 387 CD GLU A 22 1.995 -7.146 -14.615 1.00 0.00 C ATOM 388 OE1 GLU A 22 0.810 -7.263 -14.880 1.00 0.00 O ATOM 389 OE2 GLU A 22 2.868 -7.875 -15.056 1.00 0.00 O ATOM 0 H GLU A 22 1.951 -4.015 -12.155 1.00 0.00 H new ATOM 0 HA GLU A 22 0.084 -6.098 -12.224 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.080 -6.190 -11.620 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.110 -7.544 -12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 22 1.819 -5.128 -13.875 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.453 -5.759 -13.840 1.00 0.00 H new ATOM 396 N PHE A 23 1.485 -5.566 -9.290 1.00 0.00 N ATOM 397 CA PHE A 23 1.370 -5.878 -7.873 1.00 0.00 C ATOM 398 C PHE A 23 -0.074 -5.668 -7.434 1.00 0.00 C ATOM 399 O PHE A 23 -0.627 -6.458 -6.667 1.00 0.00 O ATOM 400 CB PHE A 23 2.306 -4.976 -7.059 1.00 0.00 C ATOM 401 CG PHE A 23 2.319 -5.421 -5.614 1.00 0.00 C ATOM 402 CD1 PHE A 23 1.376 -4.906 -4.715 1.00 0.00 C ATOM 403 CD2 PHE A 23 3.273 -6.348 -5.170 1.00 0.00 C ATOM 404 CE1 PHE A 23 1.385 -5.316 -3.377 1.00 0.00 C ATOM 405 CE2 PHE A 23 3.281 -6.759 -3.831 1.00 0.00 C ATOM 406 CZ PHE A 23 2.338 -6.242 -2.935 1.00 0.00 C ATOM 0 H PHE A 23 2.148 -4.823 -9.511 1.00 0.00 H new ATOM 0 HA PHE A 23 1.655 -6.916 -7.702 1.00 0.00 H new ATOM 0 HB2 PHE A 23 3.314 -5.017 -7.471 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.976 -3.939 -7.127 1.00 0.00 H new ATOM 0 HD1 PHE A 23 0.641 -4.191 -5.055 1.00 0.00 H new ATOM 0 HD2 PHE A 23 4.002 -6.745 -5.861 1.00 0.00 H new ATOM 0 HE1 PHE A 23 0.657 -4.918 -2.685 1.00 0.00 H new ATOM 0 HE2 PHE A 23 4.015 -7.475 -3.490 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.345 -6.557 -1.902 1.00 0.00 H new ATOM 416 N ALA A 24 -0.681 -4.601 -7.951 1.00 0.00 N ATOM 417 CA ALA A 24 -2.069 -4.287 -7.641 1.00 0.00 C ATOM 418 C ALA A 24 -2.971 -5.467 -7.998 1.00 0.00 C ATOM 419 O ALA A 24 -3.845 -5.848 -7.218 1.00 0.00 O ATOM 420 CB ALA A 24 -2.506 -3.044 -8.421 1.00 0.00 C ATOM 0 H ALA A 24 -0.231 -3.941 -8.586 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.155 -4.090 -6.572 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.545 -2.813 -8.186 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -1.875 -2.200 -8.143 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.410 -3.233 -9.490 1.00 0.00 H new ATOM 426 N ASN A 25 -2.747 -6.044 -9.183 1.00 0.00 N ATOM 427 CA ASN A 25 -3.546 -7.185 -9.634 1.00 0.00 C ATOM 428 C ASN A 25 -3.470 -8.319 -8.616 1.00 0.00 C ATOM 429 O ASN A 25 -4.470 -8.975 -8.330 1.00 0.00 O ATOM 430 CB ASN A 25 -3.045 -7.694 -10.997 1.00 0.00 C ATOM 431 CG ASN A 25 -2.971 -6.550 -12.005 1.00 0.00 C ATOM 432 OD1 ASN A 25 -2.265 -5.575 -11.779 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.658 -6.606 -13.114 1.00 0.00 N ATOM 0 H ASN A 25 -2.027 -5.743 -9.840 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.580 -6.854 -9.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.061 -8.148 -10.882 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.713 -8.471 -11.369 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.605 -5.841 -13.786 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.248 -7.415 -13.308 1.00 0.00 H new ATOM 440 N GLN A 26 -2.275 -8.544 -8.073 1.00 0.00 N ATOM 441 CA GLN A 26 -2.078 -9.603 -7.086 1.00 0.00 C ATOM 442 C GLN A 26 -2.875 -9.314 -5.815 1.00 0.00 C ATOM 443 O GLN A 26 -3.620 -10.168 -5.332 1.00 0.00 O ATOM 444 CB GLN A 26 -0.591 -9.726 -6.743 1.00 0.00 C ATOM 445 CG GLN A 26 -0.384 -10.869 -5.743 1.00 0.00 C ATOM 446 CD GLN A 26 1.070 -11.328 -5.762 1.00 0.00 C ATOM 447 OE1 GLN A 26 1.584 -11.730 -6.807 1.00 0.00 O ATOM 448 NE2 GLN A 26 1.768 -11.295 -4.661 1.00 0.00 N ATOM 0 H GLN A 26 -1.435 -8.011 -8.298 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.432 -10.541 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.013 -9.913 -7.648 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.227 -8.790 -6.320 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -0.656 -10.539 -4.740 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.040 -11.703 -5.992 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.341 -10.962 -3.796 1.00 0.00 H new ATOM 0 HE22 GLN A 26 2.741 -11.602 -4.664 1.00 0.00 H new ATOM 457 N ALA A 27 -2.706 -8.106 -5.278 1.00 0.00 N ATOM 458 CA ALA A 27 -3.407 -7.706 -4.060 1.00 0.00 C ATOM 459 C ALA A 27 -4.919 -7.823 -4.236 1.00 0.00 C ATOM 460 O ALA A 27 -5.646 -8.078 -3.277 1.00 0.00 O ATOM 461 CB ALA A 27 -3.041 -6.264 -3.700 1.00 0.00 C ATOM 0 H ALA A 27 -2.092 -7.390 -5.666 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.101 -8.374 -3.255 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.567 -5.971 -2.791 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.966 -6.191 -3.537 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.330 -5.601 -4.516 1.00 0.00 H new ATOM 467 N TYR A 28 -5.382 -7.638 -5.470 1.00 0.00 N ATOM 468 CA TYR A 28 -6.809 -7.728 -5.769 1.00 0.00 C ATOM 469 C TYR A 28 -7.344 -9.117 -5.417 1.00 0.00 C ATOM 470 O TYR A 28 -8.517 -9.273 -5.080 1.00 0.00 O ATOM 471 CB TYR A 28 -7.042 -7.448 -7.256 1.00 0.00 C ATOM 472 CG TYR A 28 -8.524 -7.468 -7.553 1.00 0.00 C ATOM 473 CD1 TYR A 28 -9.153 -8.670 -7.902 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.267 -6.285 -7.481 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.525 -8.687 -8.175 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.640 -6.302 -7.754 1.00 0.00 C ATOM 477 CZ TYR A 28 -11.269 -7.504 -8.102 1.00 0.00 C ATOM 478 OH TYR A 28 -12.622 -7.522 -8.373 1.00 0.00 O ATOM 0 H TYR A 28 -4.793 -7.426 -6.275 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.339 -6.987 -5.170 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.621 -6.479 -7.524 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.530 -8.196 -7.861 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.579 -9.583 -7.960 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -8.781 -5.358 -7.215 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.010 -9.614 -8.442 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.214 -5.389 -7.696 1.00 0.00 H new ATOM 0 HH TYR A 28 -12.987 -6.618 -8.276 1.00 0.00 H new ATOM 488 N GLU A 29 -6.474 -10.121 -5.508 1.00 0.00 N ATOM 489 CA GLU A 29 -6.859 -11.495 -5.212 1.00 0.00 C ATOM 490 C GLU A 29 -6.755 -11.784 -3.715 1.00 0.00 C ATOM 491 O GLU A 29 -7.037 -12.897 -3.269 1.00 0.00 O ATOM 492 CB GLU A 29 -5.956 -12.457 -5.987 1.00 0.00 C ATOM 493 CG GLU A 29 -5.697 -11.905 -7.391 1.00 0.00 C ATOM 494 CD GLU A 29 -4.890 -12.908 -8.208 1.00 0.00 C ATOM 495 OE1 GLU A 29 -5.499 -13.772 -8.819 1.00 0.00 O ATOM 496 OE2 GLU A 29 -3.675 -12.798 -8.213 1.00 0.00 O ATOM 0 H GLU A 29 -5.499 -10.007 -5.784 1.00 0.00 H new ATOM 0 HA GLU A 29 -7.896 -11.636 -5.516 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.012 -12.590 -5.458 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.426 -13.438 -6.053 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -6.644 -11.697 -7.889 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.157 -10.960 -7.325 1.00 0.00 H new ATOM 503 N ASP A 30 -6.352 -10.777 -2.945 1.00 0.00 N ATOM 504 CA ASP A 30 -6.220 -10.933 -1.500 1.00 0.00 C ATOM 505 C ASP A 30 -7.588 -10.839 -0.827 1.00 0.00 C ATOM 506 O ASP A 30 -8.610 -10.690 -1.496 1.00 0.00 O ATOM 507 CB ASP A 30 -5.294 -9.845 -0.943 1.00 0.00 C ATOM 508 CG ASP A 30 -4.690 -10.292 0.387 1.00 0.00 C ATOM 509 OD1 ASP A 30 -3.822 -11.149 0.361 1.00 0.00 O ATOM 510 OD2 ASP A 30 -5.103 -9.771 1.409 1.00 0.00 O ATOM 0 H ASP A 30 -6.112 -9.849 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.793 -11.914 -1.292 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.499 -9.633 -1.658 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -5.852 -8.919 -0.804 1.00 0.00 H new ATOM 515 N HIS A 31 -7.593 -10.925 0.501 1.00 0.00 N ATOM 516 CA HIS A 31 -8.835 -10.847 1.271 1.00 0.00 C ATOM 517 C HIS A 31 -8.535 -10.852 2.769 1.00 0.00 C ATOM 518 O HIS A 31 -9.366 -11.265 3.580 1.00 0.00 O ATOM 519 CB HIS A 31 -9.752 -12.029 0.924 1.00 0.00 C ATOM 520 CG HIS A 31 -8.960 -13.309 0.940 1.00 0.00 C ATOM 521 ND1 HIS A 31 -9.002 -14.215 -0.108 1.00 0.00 N ATOM 522 CD2 HIS A 31 -8.099 -13.846 1.866 1.00 0.00 C ATOM 523 CE1 HIS A 31 -8.191 -15.240 0.210 1.00 0.00 C ATOM 524 NE2 HIS A 31 -7.615 -15.065 1.403 1.00 0.00 N ATOM 0 H HIS A 31 -6.753 -11.049 1.067 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.340 -9.916 1.014 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -10.571 -12.088 1.640 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.198 -11.879 -0.059 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -7.838 -13.391 2.810 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -8.026 -16.100 -0.422 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -6.961 -15.691 1.873 1.00 0.00 H new ATOM 533 N SER A 32 -7.338 -10.392 3.123 1.00 0.00 N ATOM 534 CA SER A 32 -6.920 -10.345 4.521 1.00 0.00 C ATOM 535 C SER A 32 -6.237 -9.013 4.840 1.00 0.00 C ATOM 536 O SER A 32 -6.122 -8.631 6.006 1.00 0.00 O ATOM 537 CB SER A 32 -5.961 -11.503 4.805 1.00 0.00 C ATOM 538 OG SER A 32 -5.200 -11.218 5.972 1.00 0.00 O ATOM 0 H SER A 32 -6.642 -10.047 2.462 1.00 0.00 H new ATOM 0 HA SER A 32 -7.803 -10.436 5.154 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.522 -12.428 4.941 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.297 -11.655 3.954 1.00 0.00 H new ATOM 0 HG SER A 32 -4.245 -11.238 5.753 1.00 0.00 H new ATOM 544 N PHE A 33 -5.789 -8.312 3.797 1.00 0.00 N ATOM 545 CA PHE A 33 -5.126 -7.023 3.969 1.00 0.00 C ATOM 546 C PHE A 33 -5.939 -6.119 4.892 1.00 0.00 C ATOM 547 O PHE A 33 -7.160 -6.034 4.768 1.00 0.00 O ATOM 548 CB PHE A 33 -4.963 -6.345 2.605 1.00 0.00 C ATOM 549 CG PHE A 33 -3.984 -5.194 2.711 1.00 0.00 C ATOM 550 CD1 PHE A 33 -2.618 -5.416 2.495 1.00 0.00 C ATOM 551 CD2 PHE A 33 -4.443 -3.907 3.023 1.00 0.00 C ATOM 552 CE1 PHE A 33 -1.712 -4.352 2.591 1.00 0.00 C ATOM 553 CE2 PHE A 33 -3.536 -2.844 3.119 1.00 0.00 C ATOM 554 CZ PHE A 33 -2.171 -3.067 2.903 1.00 0.00 C ATOM 0 H PHE A 33 -5.874 -8.616 2.827 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.147 -7.192 4.418 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -4.608 -7.068 1.871 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -5.928 -5.981 2.253 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -2.263 -6.407 2.254 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -5.496 -3.735 3.189 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -0.659 -4.523 2.424 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -3.890 -1.852 3.360 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.472 -2.247 2.977 1.00 0.00 H new ATOM 564 N PRO A 34 -5.284 -5.445 5.806 1.00 0.00 N ATOM 565 CA PRO A 34 -5.959 -4.520 6.766 1.00 0.00 C ATOM 566 C PRO A 34 -6.536 -3.287 6.066 1.00 0.00 C ATOM 567 O PRO A 34 -6.104 -2.162 6.311 1.00 0.00 O ATOM 568 CB PRO A 34 -4.842 -4.135 7.746 1.00 0.00 C ATOM 569 CG PRO A 34 -3.567 -4.353 7.004 1.00 0.00 C ATOM 570 CD PRO A 34 -3.828 -5.494 6.025 1.00 0.00 C ATOM 0 HA PRO A 34 -6.813 -4.986 7.257 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.939 -3.097 8.063 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -4.882 -4.748 8.646 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.266 -3.449 6.475 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.758 -4.606 7.689 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.279 -5.355 5.094 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -3.518 -6.454 6.438 1.00 0.00 H new ATOM 578 N LYS A 35 -7.515 -3.511 5.192 1.00 0.00 N ATOM 579 CA LYS A 35 -8.152 -2.416 4.457 1.00 0.00 C ATOM 580 C LYS A 35 -8.706 -1.362 5.414 1.00 0.00 C ATOM 581 O LYS A 35 -8.873 -0.201 5.042 1.00 0.00 O ATOM 582 CB LYS A 35 -9.286 -2.951 3.569 1.00 0.00 C ATOM 583 CG LYS A 35 -9.834 -4.259 4.147 1.00 0.00 C ATOM 584 CD LYS A 35 -11.227 -4.532 3.574 1.00 0.00 C ATOM 585 CE LYS A 35 -11.135 -4.747 2.059 1.00 0.00 C ATOM 586 NZ LYS A 35 -12.234 -5.652 1.621 1.00 0.00 N ATOM 0 H LYS A 35 -7.885 -4.436 4.975 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.392 -1.952 3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.084 -2.212 3.500 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.918 -3.118 2.557 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.163 -5.084 3.906 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.883 -4.195 5.234 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.659 -5.413 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.890 -3.695 3.792 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.207 -3.791 1.540 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -10.168 -5.179 1.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.174 -5.799 0.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.145 -6.567 2.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -13.152 -5.223 1.856 1.00 0.00 H new ATOM 600 N THR A 36 -8.996 -1.776 6.646 1.00 0.00 N ATOM 601 CA THR A 36 -9.539 -0.859 7.646 1.00 0.00 C ATOM 602 C THR A 36 -8.429 -0.299 8.534 1.00 0.00 C ATOM 603 O THR A 36 -8.644 -0.047 9.720 1.00 0.00 O ATOM 604 CB THR A 36 -10.571 -1.590 8.513 1.00 0.00 C ATOM 605 OG1 THR A 36 -9.952 -2.701 9.147 1.00 0.00 O ATOM 606 CG2 THR A 36 -11.725 -2.077 7.637 1.00 0.00 C ATOM 0 H THR A 36 -8.865 -2.733 6.974 1.00 0.00 H new ATOM 0 HA THR A 36 -10.017 -0.029 7.126 1.00 0.00 H new ATOM 0 HB THR A 36 -10.958 -0.908 9.270 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.610 -3.169 9.703 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.457 -2.596 8.255 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.199 -1.224 7.152 1.00 0.00 H new ATOM 0 HG23 THR A 36 -11.343 -2.759 6.878 1.00 0.00 H new ATOM 614 N SER A 37 -7.245 -0.097 7.952 1.00 0.00 N ATOM 615 CA SER A 37 -6.112 0.438 8.702 1.00 0.00 C ATOM 616 C SER A 37 -4.893 0.566 7.801 1.00 0.00 C ATOM 617 O SER A 37 -4.738 -0.182 6.838 1.00 0.00 O ATOM 618 CB SER A 37 -5.766 -0.483 9.876 1.00 0.00 C ATOM 619 OG SER A 37 -4.771 0.137 10.682 1.00 0.00 O ATOM 0 H SER A 37 -7.049 -0.295 6.971 1.00 0.00 H new ATOM 0 HA SER A 37 -6.392 1.421 9.080 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.657 -0.685 10.470 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.405 -1.443 9.506 1.00 0.00 H new ATOM 0 HG SER A 37 -4.548 -0.449 11.435 1.00 0.00 H new ATOM 625 N THR A 38 -4.020 1.513 8.130 1.00 0.00 N ATOM 626 CA THR A 38 -2.810 1.714 7.352 1.00 0.00 C ATOM 627 C THR A 38 -1.645 2.021 8.278 1.00 0.00 C ATOM 628 O THR A 38 -1.552 3.108 8.849 1.00 0.00 O ATOM 629 CB THR A 38 -3.007 2.861 6.349 1.00 0.00 C ATOM 630 OG1 THR A 38 -1.740 3.333 5.911 1.00 0.00 O ATOM 631 CG2 THR A 38 -3.781 4.006 7.010 1.00 0.00 C ATOM 0 H THR A 38 -4.129 2.146 8.923 1.00 0.00 H new ATOM 0 HA THR A 38 -2.591 0.801 6.798 1.00 0.00 H new ATOM 0 HB THR A 38 -3.574 2.494 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 38 -1.863 3.948 5.158 1.00 0.00 H new ATOM 0 HG21 THR A 38 -3.917 4.815 6.293 1.00 0.00 H new ATOM 0 HG22 THR A 38 -4.756 3.645 7.338 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.222 4.374 7.871 1.00 0.00 H new ATOM 639 N ASP A 39 -0.755 1.051 8.411 1.00 0.00 N ATOM 640 CA ASP A 39 0.418 1.199 9.252 1.00 0.00 C ATOM 641 C ASP A 39 1.593 0.487 8.597 1.00 0.00 C ATOM 642 O ASP A 39 1.521 -0.708 8.311 1.00 0.00 O ATOM 643 CB ASP A 39 0.140 0.623 10.644 1.00 0.00 C ATOM 644 CG ASP A 39 1.360 0.809 11.542 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.260 -0.008 11.468 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.378 1.773 12.291 1.00 0.00 O ATOM 0 H ASP A 39 -0.825 0.147 7.943 1.00 0.00 H new ATOM 0 HA ASP A 39 0.661 2.255 9.365 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.725 1.119 11.085 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.105 -0.436 10.565 1.00 0.00 H new ATOM 651 N TYR A 40 2.659 1.231 8.341 1.00 0.00 N ATOM 652 CA TYR A 40 3.837 0.670 7.691 1.00 0.00 C ATOM 653 C TYR A 40 4.340 -0.583 8.404 1.00 0.00 C ATOM 654 O TYR A 40 4.513 -1.626 7.780 1.00 0.00 O ATOM 655 CB TYR A 40 4.954 1.715 7.659 1.00 0.00 C ATOM 656 CG TYR A 40 6.194 1.109 7.042 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.348 1.098 5.651 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.186 0.554 7.860 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.492 0.535 5.078 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.330 -0.010 7.287 1.00 0.00 C ATOM 661 CZ TYR A 40 8.483 -0.020 5.896 1.00 0.00 C ATOM 662 OH TYR A 40 9.611 -0.577 5.330 1.00 0.00 O ATOM 0 H TYR A 40 2.734 2.222 8.572 1.00 0.00 H new ATOM 0 HA TYR A 40 3.551 0.389 6.677 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.636 2.585 7.084 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.170 2.063 8.669 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.582 1.525 5.020 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.067 0.562 8.933 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.611 0.528 4.005 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.095 -0.438 7.918 1.00 0.00 H new ATOM 0 HH TYR A 40 10.199 -0.916 6.037 1.00 0.00 H new ATOM 672 N HIS A 41 4.588 -0.467 9.703 1.00 0.00 N ATOM 673 CA HIS A 41 5.099 -1.595 10.482 1.00 0.00 C ATOM 674 C HIS A 41 4.125 -2.773 10.486 1.00 0.00 C ATOM 675 O HIS A 41 4.515 -3.911 10.222 1.00 0.00 O ATOM 676 CB HIS A 41 5.368 -1.165 11.928 1.00 0.00 C ATOM 677 CG HIS A 41 5.736 0.295 11.974 1.00 0.00 C ATOM 678 ND1 HIS A 41 4.791 1.289 12.160 1.00 0.00 N ATOM 679 CD2 HIS A 41 6.943 0.940 11.863 1.00 0.00 C ATOM 680 CE1 HIS A 41 5.435 2.470 12.158 1.00 0.00 C ATOM 681 NE2 HIS A 41 6.751 2.314 11.981 1.00 0.00 N ATOM 0 H HIS A 41 4.446 0.389 10.239 1.00 0.00 H new ATOM 0 HA HIS A 41 6.027 -1.916 10.009 1.00 0.00 H new ATOM 0 HB2 HIS A 41 4.484 -1.345 12.539 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.174 -1.765 12.350 1.00 0.00 H new ATOM 0 HD1 HIS A 41 3.787 1.151 12.277 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.896 0.456 11.708 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.949 3.426 12.284 1.00 0.00 H new ATOM 690 N GLU A 42 2.864 -2.497 10.809 1.00 0.00 N ATOM 691 CA GLU A 42 1.848 -3.544 10.871 1.00 0.00 C ATOM 692 C GLU A 42 1.696 -4.262 9.532 1.00 0.00 C ATOM 693 O GLU A 42 1.733 -5.492 9.474 1.00 0.00 O ATOM 694 CB GLU A 42 0.501 -2.942 11.284 1.00 0.00 C ATOM 695 CG GLU A 42 -0.299 -3.972 12.088 1.00 0.00 C ATOM 696 CD GLU A 42 0.163 -3.971 13.544 1.00 0.00 C ATOM 697 OE1 GLU A 42 -0.263 -3.096 14.279 1.00 0.00 O ATOM 698 OE2 GLU A 42 0.937 -4.844 13.901 1.00 0.00 O ATOM 0 H GLU A 42 2.522 -1.562 11.031 1.00 0.00 H new ATOM 0 HA GLU A 42 2.171 -4.274 11.613 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.661 -2.044 11.881 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.060 -2.641 10.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.363 -3.740 12.035 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.167 -4.964 11.657 1.00 0.00 H new ATOM 705 N ILE A 43 1.517 -3.494 8.461 1.00 0.00 N ATOM 706 CA ILE A 43 1.352 -4.083 7.136 1.00 0.00 C ATOM 707 C ILE A 43 2.654 -4.740 6.676 1.00 0.00 C ATOM 708 O ILE A 43 2.634 -5.838 6.114 1.00 0.00 O ATOM 709 CB ILE A 43 0.876 -3.012 6.139 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.657 -2.932 6.203 1.00 0.00 C ATOM 711 CG2 ILE A 43 1.307 -3.379 4.713 1.00 0.00 C ATOM 712 CD1 ILE A 43 -1.136 -1.537 5.791 1.00 0.00 C ATOM 0 H ILE A 43 1.483 -2.475 8.483 1.00 0.00 H new ATOM 0 HA ILE A 43 0.591 -4.862 7.183 1.00 0.00 H new ATOM 0 HB ILE A 43 1.319 -2.051 6.400 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.095 -3.683 5.545 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.997 -3.157 7.214 1.00 0.00 H new ATOM 0 HG21 ILE A 43 0.963 -2.611 4.020 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.394 -3.448 4.668 1.00 0.00 H new ATOM 0 HG23 ILE A 43 0.871 -4.339 4.437 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.224 -1.496 5.841 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.713 -0.793 6.466 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -0.812 -1.327 4.772 1.00 0.00 H new ATOM 724 N SER A 44 3.784 -4.078 6.929 1.00 0.00 N ATOM 725 CA SER A 44 5.084 -4.631 6.549 1.00 0.00 C ATOM 726 C SER A 44 5.245 -6.036 7.125 1.00 0.00 C ATOM 727 O SER A 44 5.732 -6.943 6.450 1.00 0.00 O ATOM 728 CB SER A 44 6.219 -3.742 7.064 1.00 0.00 C ATOM 729 OG SER A 44 6.289 -2.559 6.280 1.00 0.00 O ATOM 0 H SER A 44 3.826 -3.169 7.390 1.00 0.00 H new ATOM 0 HA SER A 44 5.131 -4.674 5.461 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.050 -3.488 8.110 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.166 -4.279 7.016 1.00 0.00 H new ATOM 0 HG SER A 44 5.530 -1.978 6.496 1.00 0.00 H new ATOM 735 N SER A 45 4.827 -6.199 8.381 1.00 0.00 N ATOM 736 CA SER A 45 4.918 -7.487 9.057 1.00 0.00 C ATOM 737 C SER A 45 4.036 -8.518 8.363 1.00 0.00 C ATOM 738 O SER A 45 4.453 -9.656 8.147 1.00 0.00 O ATOM 739 CB SER A 45 4.489 -7.329 10.520 1.00 0.00 C ATOM 740 OG SER A 45 4.007 -8.571 11.014 1.00 0.00 O ATOM 0 H SER A 45 4.423 -5.453 8.948 1.00 0.00 H new ATOM 0 HA SER A 45 5.950 -7.835 9.017 1.00 0.00 H new ATOM 0 HB2 SER A 45 5.332 -6.990 11.122 1.00 0.00 H new ATOM 0 HB3 SER A 45 3.713 -6.568 10.601 1.00 0.00 H new ATOM 0 HG SER A 45 3.735 -8.467 11.950 1.00 0.00 H new ATOM 746 N TYR A 46 2.818 -8.112 8.011 1.00 0.00 N ATOM 747 CA TYR A 46 1.888 -9.014 7.341 1.00 0.00 C ATOM 748 C TYR A 46 2.486 -9.513 6.029 1.00 0.00 C ATOM 749 O TYR A 46 2.447 -10.708 5.736 1.00 0.00 O ATOM 750 CB TYR A 46 0.565 -8.290 7.068 1.00 0.00 C ATOM 751 CG TYR A 46 -0.376 -9.208 6.319 1.00 0.00 C ATOM 752 CD1 TYR A 46 -1.144 -10.147 7.018 1.00 0.00 C ATOM 753 CD2 TYR A 46 -0.479 -9.117 4.925 1.00 0.00 C ATOM 754 CE1 TYR A 46 -2.015 -10.994 6.323 1.00 0.00 C ATOM 755 CE2 TYR A 46 -1.350 -9.965 4.230 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.118 -10.904 4.930 1.00 0.00 C ATOM 757 OH TYR A 46 -2.977 -11.738 4.244 1.00 0.00 O ATOM 0 H TYR A 46 2.456 -7.173 8.177 1.00 0.00 H new ATOM 0 HA TYR A 46 1.702 -9.870 7.990 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.111 -7.977 8.008 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.747 -7.387 6.485 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.064 -10.218 8.093 1.00 0.00 H new ATOM 0 HD2 TYR A 46 0.114 -8.393 4.386 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.608 -11.718 6.862 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -1.429 -9.895 3.155 1.00 0.00 H new ATOM 0 HH TYR A 46 -2.927 -11.542 3.285 1.00 0.00 H new ATOM 767 N LEU A 47 3.048 -8.592 5.252 1.00 0.00 N ATOM 768 CA LEU A 47 3.662 -8.952 3.980 1.00 0.00 C ATOM 769 C LEU A 47 4.897 -9.818 4.216 1.00 0.00 C ATOM 770 O LEU A 47 5.127 -10.798 3.505 1.00 0.00 O ATOM 771 CB LEU A 47 4.062 -7.685 3.219 1.00 0.00 C ATOM 772 CG LEU A 47 2.805 -6.913 2.801 1.00 0.00 C ATOM 773 CD1 LEU A 47 3.137 -5.423 2.678 1.00 0.00 C ATOM 774 CD2 LEU A 47 2.307 -7.437 1.450 1.00 0.00 C ATOM 0 H LEU A 47 3.091 -7.599 5.479 1.00 0.00 H new ATOM 0 HA LEU A 47 2.940 -9.516 3.390 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.694 -7.057 3.847 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.648 -7.948 2.339 1.00 0.00 H new ATOM 0 HG LEU A 47 2.029 -7.052 3.553 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.243 -4.874 2.381 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.490 -5.048 3.639 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.914 -5.284 1.927 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.413 -6.888 1.154 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.084 -7.299 0.698 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.069 -8.497 1.536 1.00 0.00 H new ATOM 786 N GLU A 48 5.683 -9.448 5.225 1.00 0.00 N ATOM 787 CA GLU A 48 6.892 -10.195 5.560 1.00 0.00 C ATOM 788 C GLU A 48 6.542 -11.607 6.013 1.00 0.00 C ATOM 789 O GLU A 48 7.161 -12.579 5.582 1.00 0.00 O ATOM 790 CB GLU A 48 7.663 -9.478 6.673 1.00 0.00 C ATOM 791 CG GLU A 48 8.562 -8.398 6.064 1.00 0.00 C ATOM 792 CD GLU A 48 9.936 -8.979 5.736 1.00 0.00 C ATOM 793 OE1 GLU A 48 9.996 -9.895 4.932 1.00 0.00 O ATOM 794 OE2 GLU A 48 10.910 -8.498 6.294 1.00 0.00 O ATOM 0 H GLU A 48 5.505 -8.640 5.822 1.00 0.00 H new ATOM 0 HA GLU A 48 7.515 -10.254 4.668 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.966 -9.028 7.380 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.266 -10.195 7.231 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.102 -7.999 5.160 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.668 -7.567 6.761 1.00 0.00 H new ATOM 801 N LEU A 49 5.541 -11.714 6.886 1.00 0.00 N ATOM 802 CA LEU A 49 5.118 -13.016 7.388 1.00 0.00 C ATOM 803 C LEU A 49 4.536 -13.849 6.252 1.00 0.00 C ATOM 804 O LEU A 49 4.737 -15.061 6.192 1.00 0.00 O ATOM 805 CB LEU A 49 4.065 -12.838 8.487 1.00 0.00 C ATOM 806 CG LEU A 49 4.699 -12.165 9.712 1.00 0.00 C ATOM 807 CD1 LEU A 49 3.639 -11.352 10.461 1.00 0.00 C ATOM 808 CD2 LEU A 49 5.267 -13.239 10.645 1.00 0.00 C ATOM 0 H LEU A 49 5.014 -10.923 7.256 1.00 0.00 H new ATOM 0 HA LEU A 49 5.985 -13.531 7.802 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.238 -12.233 8.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.651 -13.807 8.767 1.00 0.00 H new ATOM 0 HG LEU A 49 5.500 -11.501 9.385 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.093 -10.876 11.330 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.232 -10.587 9.799 1.00 0.00 H new ATOM 0 HD13 LEU A 49 2.837 -12.014 10.788 1.00 0.00 H new ATOM 0 HD21 LEU A 49 5.718 -12.763 11.516 1.00 0.00 H new ATOM 0 HD22 LEU A 49 4.464 -13.901 10.969 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.024 -13.818 10.115 1.00 0.00 H new ATOM 820 N ASN A 50 3.827 -13.183 5.343 1.00 0.00 N ATOM 821 CA ASN A 50 3.235 -13.867 4.201 1.00 0.00 C ATOM 822 C ASN A 50 4.333 -14.368 3.262 1.00 0.00 C ATOM 823 O ASN A 50 5.149 -13.585 2.780 1.00 0.00 O ATOM 824 CB ASN A 50 2.300 -12.919 3.447 1.00 0.00 C ATOM 825 CG ASN A 50 1.284 -13.725 2.646 1.00 0.00 C ATOM 826 OD1 ASN A 50 1.663 -14.520 1.789 1.00 0.00 O ATOM 827 ND2 ASN A 50 0.009 -13.569 2.878 1.00 0.00 N ATOM 0 H ASN A 50 3.651 -12.179 5.376 1.00 0.00 H new ATOM 0 HA ASN A 50 2.660 -14.720 4.563 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.785 -12.265 4.151 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.877 -12.279 2.780 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.676 -14.108 2.347 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.303 -12.908 3.590 1.00 0.00 H new ATOM 834 N ALA A 51 4.345 -15.675 3.011 1.00 0.00 N ATOM 835 CA ALA A 51 5.350 -16.270 2.132 1.00 0.00 C ATOM 836 C ALA A 51 5.160 -15.805 0.690 1.00 0.00 C ATOM 837 O ALA A 51 6.124 -15.704 -0.071 1.00 0.00 O ATOM 838 CB ALA A 51 5.251 -17.796 2.189 1.00 0.00 C ATOM 0 H ALA A 51 3.676 -16.339 3.400 1.00 0.00 H new ATOM 0 HA ALA A 51 6.334 -15.949 2.475 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.002 -18.234 1.532 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.422 -18.134 3.211 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.259 -18.109 1.864 1.00 0.00 H new ATOM 844 N ASP A 52 3.912 -15.534 0.320 1.00 0.00 N ATOM 845 CA ASP A 52 3.601 -15.090 -1.036 1.00 0.00 C ATOM 846 C ASP A 52 4.204 -13.716 -1.318 1.00 0.00 C ATOM 847 O ASP A 52 4.761 -13.486 -2.392 1.00 0.00 O ATOM 848 CB ASP A 52 2.082 -15.040 -1.237 1.00 0.00 C ATOM 849 CG ASP A 52 1.436 -16.322 -0.712 1.00 0.00 C ATOM 850 OD1 ASP A 52 1.892 -17.390 -1.086 1.00 0.00 O ATOM 851 OD2 ASP A 52 0.495 -16.217 0.057 1.00 0.00 O ATOM 0 H ASP A 52 3.103 -15.613 0.936 1.00 0.00 H new ATOM 0 HA ASP A 52 4.037 -15.805 -1.733 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.668 -14.176 -0.717 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.852 -14.916 -2.295 1.00 0.00 H new ATOM 856 N TYR A 53 4.085 -12.805 -0.354 1.00 0.00 N ATOM 857 CA TYR A 53 4.618 -11.455 -0.524 1.00 0.00 C ATOM 858 C TYR A 53 6.047 -11.353 0.010 1.00 0.00 C ATOM 859 O TYR A 53 6.722 -10.344 -0.195 1.00 0.00 O ATOM 860 CB TYR A 53 3.721 -10.445 0.197 1.00 0.00 C ATOM 861 CG TYR A 53 2.335 -10.481 -0.415 1.00 0.00 C ATOM 862 CD1 TYR A 53 1.406 -11.439 0.013 1.00 0.00 C ATOM 863 CD2 TYR A 53 1.981 -9.559 -1.408 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.124 -11.471 -0.550 1.00 0.00 C ATOM 865 CE2 TYR A 53 0.698 -9.593 -1.971 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.229 -10.549 -1.541 1.00 0.00 C ATOM 867 OH TYR A 53 -1.493 -10.581 -2.096 1.00 0.00 O ATOM 0 H TYR A 53 3.630 -12.974 0.543 1.00 0.00 H new ATOM 0 HA TYR A 53 4.636 -11.230 -1.590 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.668 -10.682 1.260 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.142 -9.443 0.114 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.679 -12.152 0.777 1.00 0.00 H new ATOM 0 HD2 TYR A 53 2.697 -8.822 -1.740 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.593 -12.208 -0.219 1.00 0.00 H new ATOM 0 HE2 TYR A 53 0.425 -8.882 -2.736 1.00 0.00 H new ATOM 0 HH TYR A 53 -1.573 -9.872 -2.768 1.00 0.00 H new ATOM 877 N LEU A 54 6.505 -12.401 0.689 1.00 0.00 N ATOM 878 CA LEU A 54 7.862 -12.412 1.232 1.00 0.00 C ATOM 879 C LEU A 54 8.883 -12.109 0.129 1.00 0.00 C ATOM 880 O LEU A 54 9.955 -11.566 0.397 1.00 0.00 O ATOM 881 CB LEU A 54 8.162 -13.780 1.864 1.00 0.00 C ATOM 882 CG LEU A 54 9.608 -13.824 2.380 1.00 0.00 C ATOM 883 CD1 LEU A 54 9.835 -12.701 3.399 1.00 0.00 C ATOM 884 CD2 LEU A 54 9.863 -15.177 3.054 1.00 0.00 C ATOM 0 H LEU A 54 5.964 -13.245 0.876 1.00 0.00 H new ATOM 0 HA LEU A 54 7.938 -11.640 1.998 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.470 -13.968 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 54 8.007 -14.570 1.129 1.00 0.00 H new ATOM 0 HG LEU A 54 10.292 -13.691 1.542 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.863 -12.739 3.760 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.653 -11.737 2.924 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.151 -12.827 4.238 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.888 -15.213 3.422 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.173 -15.303 3.889 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.709 -15.978 2.331 1.00 0.00 H new ATOM 896 N HIS A 55 8.541 -12.477 -1.108 1.00 0.00 N ATOM 897 CA HIS A 55 9.436 -12.257 -2.245 1.00 0.00 C ATOM 898 C HIS A 55 9.051 -11.003 -3.039 1.00 0.00 C ATOM 899 O HIS A 55 9.179 -10.975 -4.265 1.00 0.00 O ATOM 900 CB HIS A 55 9.400 -13.482 -3.167 1.00 0.00 C ATOM 901 CG HIS A 55 10.565 -13.440 -4.122 1.00 0.00 C ATOM 902 ND1 HIS A 55 11.480 -12.396 -4.133 1.00 0.00 N ATOM 903 CD2 HIS A 55 10.976 -14.306 -5.104 1.00 0.00 C ATOM 904 CE1 HIS A 55 12.383 -12.659 -5.093 1.00 0.00 C ATOM 905 NE2 HIS A 55 12.124 -13.812 -5.715 1.00 0.00 N ATOM 0 H HIS A 55 7.657 -12.926 -1.346 1.00 0.00 H new ATOM 0 HA HIS A 55 10.443 -12.108 -1.856 1.00 0.00 H new ATOM 0 HB2 HIS A 55 9.438 -14.396 -2.574 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.463 -13.502 -3.723 1.00 0.00 H new ATOM 0 HD2 HIS A 55 10.483 -15.231 -5.363 1.00 0.00 H new ATOM 0 HE1 HIS A 55 13.217 -12.016 -5.332 1.00 0.00 H new ATOM 0 HE2 HIS A 55 12.654 -14.239 -6.475 1.00 0.00 H new ATOM 914 N THR A 56 8.599 -9.963 -2.341 1.00 0.00 N ATOM 915 CA THR A 56 8.228 -8.714 -3.009 1.00 0.00 C ATOM 916 C THR A 56 8.550 -7.516 -2.129 1.00 0.00 C ATOM 917 O THR A 56 7.997 -6.431 -2.315 1.00 0.00 O ATOM 918 CB THR A 56 6.737 -8.702 -3.362 1.00 0.00 C ATOM 919 OG1 THR A 56 5.977 -9.147 -2.251 1.00 0.00 O ATOM 920 CG2 THR A 56 6.493 -9.619 -4.557 1.00 0.00 C ATOM 0 H THR A 56 8.481 -9.957 -1.328 1.00 0.00 H new ATOM 0 HA THR A 56 8.809 -8.648 -3.929 1.00 0.00 H new ATOM 0 HB THR A 56 6.432 -7.687 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 56 6.537 -9.136 -1.447 1.00 0.00 H new ATOM 0 HG21 THR A 56 5.433 -9.612 -4.810 1.00 0.00 H new ATOM 0 HG22 THR A 56 7.072 -9.266 -5.410 1.00 0.00 H new ATOM 0 HG23 THR A 56 6.799 -10.634 -4.305 1.00 0.00 H new ATOM 928 N MET A 57 9.458 -7.712 -1.180 1.00 0.00 N ATOM 929 CA MET A 57 9.856 -6.631 -0.290 1.00 0.00 C ATOM 930 C MET A 57 10.378 -5.459 -1.112 1.00 0.00 C ATOM 931 O MET A 57 10.193 -4.297 -0.750 1.00 0.00 O ATOM 932 CB MET A 57 10.953 -7.117 0.663 1.00 0.00 C ATOM 933 CG MET A 57 10.415 -8.250 1.541 1.00 0.00 C ATOM 934 SD MET A 57 9.386 -7.552 2.859 1.00 0.00 S ATOM 935 CE MET A 57 7.785 -8.098 2.217 1.00 0.00 C ATOM 0 H MET A 57 9.928 -8.601 -1.009 1.00 0.00 H new ATOM 0 HA MET A 57 8.992 -6.311 0.292 1.00 0.00 H new ATOM 0 HB2 MET A 57 11.815 -7.465 0.093 1.00 0.00 H new ATOM 0 HB3 MET A 57 11.296 -6.292 1.288 1.00 0.00 H new ATOM 0 HG2 MET A 57 9.831 -8.946 0.939 1.00 0.00 H new ATOM 0 HG3 MET A 57 11.242 -8.816 1.971 1.00 0.00 H new ATOM 0 HE1 MET A 57 7.002 -7.429 2.575 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.805 -8.082 1.127 1.00 0.00 H new ATOM 0 HE3 MET A 57 7.581 -9.112 2.562 1.00 0.00 H new ATOM 945 N ALA A 58 11.029 -5.784 -2.227 1.00 0.00 N ATOM 946 CA ALA A 58 11.582 -4.768 -3.117 1.00 0.00 C ATOM 947 C ALA A 58 10.477 -3.912 -3.728 1.00 0.00 C ATOM 948 O ALA A 58 10.578 -2.684 -3.770 1.00 0.00 O ATOM 949 CB ALA A 58 12.391 -5.434 -4.233 1.00 0.00 C ATOM 0 H ALA A 58 11.186 -6.744 -2.535 1.00 0.00 H new ATOM 0 HA ALA A 58 12.233 -4.122 -2.528 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.800 -4.669 -4.892 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.207 -6.011 -3.797 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.743 -6.098 -4.806 1.00 0.00 H new ATOM 955 N THR A 59 9.427 -4.573 -4.209 1.00 0.00 N ATOM 956 CA THR A 59 8.308 -3.873 -4.831 1.00 0.00 C ATOM 957 C THR A 59 7.472 -3.145 -3.784 1.00 0.00 C ATOM 958 O THR A 59 7.008 -2.029 -4.018 1.00 0.00 O ATOM 959 CB THR A 59 7.424 -4.875 -5.584 1.00 0.00 C ATOM 960 OG1 THR A 59 8.235 -5.666 -6.442 1.00 0.00 O ATOM 961 CG2 THR A 59 6.382 -4.124 -6.417 1.00 0.00 C ATOM 0 H THR A 59 9.328 -5.588 -4.180 1.00 0.00 H new ATOM 0 HA THR A 59 8.709 -3.138 -5.529 1.00 0.00 H new ATOM 0 HB THR A 59 6.914 -5.517 -4.866 1.00 0.00 H new ATOM 0 HG1 THR A 59 7.673 -6.308 -6.923 1.00 0.00 H new ATOM 0 HG21 THR A 59 5.757 -4.841 -6.950 1.00 0.00 H new ATOM 0 HG22 THR A 59 5.759 -3.517 -5.760 1.00 0.00 H new ATOM 0 HG23 THR A 59 6.887 -3.479 -7.136 1.00 0.00 H new ATOM 969 N PHE A 60 7.283 -3.783 -2.632 1.00 0.00 N ATOM 970 CA PHE A 60 6.498 -3.183 -1.560 1.00 0.00 C ATOM 971 C PHE A 60 7.180 -1.916 -1.050 1.00 0.00 C ATOM 972 O PHE A 60 6.549 -0.864 -0.944 1.00 0.00 O ATOM 973 CB PHE A 60 6.323 -4.183 -0.411 1.00 0.00 C ATOM 974 CG PHE A 60 5.726 -3.478 0.787 1.00 0.00 C ATOM 975 CD1 PHE A 60 4.423 -2.966 0.726 1.00 0.00 C ATOM 976 CD2 PHE A 60 6.479 -3.332 1.959 1.00 0.00 C ATOM 977 CE1 PHE A 60 3.875 -2.311 1.834 1.00 0.00 C ATOM 978 CE2 PHE A 60 5.931 -2.677 3.066 1.00 0.00 C ATOM 979 CZ PHE A 60 4.629 -2.166 3.005 1.00 0.00 C ATOM 0 H PHE A 60 7.659 -4.707 -2.419 1.00 0.00 H new ATOM 0 HA PHE A 60 5.516 -2.919 -1.953 1.00 0.00 H new ATOM 0 HB2 PHE A 60 5.676 -5.002 -0.724 1.00 0.00 H new ATOM 0 HB3 PHE A 60 7.286 -4.621 -0.146 1.00 0.00 H new ATOM 0 HD1 PHE A 60 3.841 -3.077 -0.177 1.00 0.00 H new ATOM 0 HD2 PHE A 60 7.484 -3.726 2.008 1.00 0.00 H new ATOM 0 HE1 PHE A 60 2.870 -1.917 1.786 1.00 0.00 H new ATOM 0 HE2 PHE A 60 6.513 -2.565 3.969 1.00 0.00 H new ATOM 0 HZ PHE A 60 4.206 -1.660 3.861 1.00 0.00 H new ATOM 989 N ASP A 61 8.472 -2.025 -0.742 1.00 0.00 N ATOM 990 CA ASP A 61 9.232 -0.880 -0.254 1.00 0.00 C ATOM 991 C ASP A 61 9.112 0.287 -1.228 1.00 0.00 C ATOM 992 O ASP A 61 8.860 1.424 -0.826 1.00 0.00 O ATOM 993 CB ASP A 61 10.708 -1.263 -0.086 1.00 0.00 C ATOM 994 CG ASP A 61 10.926 -1.955 1.260 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.539 -1.386 2.269 1.00 0.00 O ATOM 996 OD2 ASP A 61 11.480 -3.042 1.263 1.00 0.00 O ATOM 0 H ASP A 61 9.009 -2.889 -0.822 1.00 0.00 H new ATOM 0 HA ASP A 61 8.827 -0.579 0.712 1.00 0.00 H new ATOM 0 HB2 ASP A 61 11.014 -1.924 -0.897 1.00 0.00 H new ATOM 0 HB3 ASP A 61 11.332 -0.371 -0.150 1.00 0.00 H new ATOM 1001 N GLU A 62 9.295 -0.009 -2.512 1.00 0.00 N ATOM 1002 CA GLU A 62 9.208 1.010 -3.550 1.00 0.00 C ATOM 1003 C GLU A 62 7.783 1.546 -3.663 1.00 0.00 C ATOM 1004 O GLU A 62 7.576 2.755 -3.775 1.00 0.00 O ATOM 1005 CB GLU A 62 9.648 0.421 -4.895 1.00 0.00 C ATOM 1006 CG GLU A 62 9.686 1.523 -5.961 1.00 0.00 C ATOM 1007 CD GLU A 62 10.716 2.587 -5.586 1.00 0.00 C ATOM 1008 OE1 GLU A 62 11.891 2.356 -5.822 1.00 0.00 O ATOM 1009 OE2 GLU A 62 10.314 3.617 -5.067 1.00 0.00 O ATOM 0 H GLU A 62 9.504 -0.946 -2.857 1.00 0.00 H new ATOM 0 HA GLU A 62 9.868 1.834 -3.281 1.00 0.00 H new ATOM 0 HB2 GLU A 62 10.633 -0.036 -4.797 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.960 -0.367 -5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 62 9.935 1.092 -6.931 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.701 1.979 -6.058 1.00 0.00 H new ATOM 1016 N ALA A 63 6.803 0.642 -3.639 1.00 0.00 N ATOM 1017 CA ALA A 63 5.404 1.046 -3.748 1.00 0.00 C ATOM 1018 C ALA A 63 5.026 1.976 -2.598 1.00 0.00 C ATOM 1019 O ALA A 63 4.437 3.035 -2.818 1.00 0.00 O ATOM 1020 CB ALA A 63 4.499 -0.188 -3.729 1.00 0.00 C ATOM 0 H ALA A 63 6.951 -0.363 -3.546 1.00 0.00 H new ATOM 0 HA ALA A 63 5.270 1.577 -4.690 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.458 0.123 -3.811 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.751 -0.837 -4.568 1.00 0.00 H new ATOM 0 HB3 ALA A 63 4.643 -0.731 -2.795 1.00 0.00 H new ATOM 1026 N TRP A 64 5.383 1.582 -1.376 1.00 0.00 N ATOM 1027 CA TRP A 64 5.089 2.403 -0.207 1.00 0.00 C ATOM 1028 C TRP A 64 5.678 3.798 -0.386 1.00 0.00 C ATOM 1029 O TRP A 64 5.015 4.802 -0.121 1.00 0.00 O ATOM 1030 CB TRP A 64 5.664 1.760 1.060 1.00 0.00 C ATOM 1031 CG TRP A 64 5.293 2.592 2.249 1.00 0.00 C ATOM 1032 CD1 TRP A 64 6.082 3.534 2.815 1.00 0.00 C ATOM 1033 CD2 TRP A 64 4.055 2.578 3.022 1.00 0.00 C ATOM 1034 NE1 TRP A 64 5.410 4.098 3.883 1.00 0.00 N ATOM 1035 CE2 TRP A 64 4.157 3.543 4.052 1.00 0.00 C ATOM 1036 CE3 TRP A 64 2.868 1.831 2.930 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 3.119 3.757 4.960 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 1.820 2.045 3.841 1.00 0.00 C ATOM 1039 CH2 TRP A 64 1.945 3.006 4.853 1.00 0.00 C ATOM 0 H TRP A 64 5.871 0.709 -1.173 1.00 0.00 H new ATOM 0 HA TRP A 64 4.007 2.479 -0.103 1.00 0.00 H new ATOM 0 HB2 TRP A 64 5.277 0.747 1.175 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.748 1.680 0.981 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.075 3.802 2.486 1.00 0.00 H new ATOM 0 HE1 TRP A 64 5.793 4.835 4.475 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.761 1.088 2.154 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 3.222 4.497 5.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.912 1.465 3.761 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.135 3.166 5.549 1.00 0.00 H new ATOM 1050 N ASP A 65 6.928 3.847 -0.845 1.00 0.00 N ATOM 1051 CA ASP A 65 7.605 5.119 -1.067 1.00 0.00 C ATOM 1052 C ASP A 65 6.746 6.031 -1.939 1.00 0.00 C ATOM 1053 O ASP A 65 6.640 7.231 -1.683 1.00 0.00 O ATOM 1054 CB ASP A 65 8.959 4.878 -1.743 1.00 0.00 C ATOM 1055 CG ASP A 65 9.836 6.122 -1.627 1.00 0.00 C ATOM 1056 OD1 ASP A 65 10.448 6.296 -0.585 1.00 0.00 O ATOM 1057 OD2 ASP A 65 9.884 6.881 -2.582 1.00 0.00 O ATOM 0 H ASP A 65 7.488 3.024 -1.069 1.00 0.00 H new ATOM 0 HA ASP A 65 7.766 5.603 -0.104 1.00 0.00 H new ATOM 0 HB2 ASP A 65 9.459 4.028 -1.279 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.810 4.626 -2.793 1.00 0.00 H new ATOM 1062 N GLN A 66 6.127 5.447 -2.966 1.00 0.00 N ATOM 1063 CA GLN A 66 5.268 6.206 -3.869 1.00 0.00 C ATOM 1064 C GLN A 66 3.970 6.589 -3.166 1.00 0.00 C ATOM 1065 O GLN A 66 3.515 7.730 -3.257 1.00 0.00 O ATOM 1066 CB GLN A 66 4.948 5.378 -5.118 1.00 0.00 C ATOM 1067 CG GLN A 66 6.249 4.901 -5.770 1.00 0.00 C ATOM 1068 CD GLN A 66 6.149 5.022 -7.287 1.00 0.00 C ATOM 1069 OE1 GLN A 66 5.382 4.299 -7.920 1.00 0.00 O ATOM 1070 NE2 GLN A 66 6.886 5.901 -7.909 1.00 0.00 N ATOM 0 H GLN A 66 6.205 4.455 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 66 5.796 7.112 -4.165 1.00 0.00 H new ATOM 0 HB2 GLN A 66 4.330 4.522 -4.849 1.00 0.00 H new ATOM 0 HB3 GLN A 66 4.374 5.976 -5.825 1.00 0.00 H new ATOM 0 HG2 GLN A 66 7.087 5.494 -5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 66 6.446 3.866 -5.492 1.00 0.00 H new ATOM 0 HE21 GLN A 66 7.521 6.499 -7.381 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.827 5.990 -8.923 1.00 0.00 H new ATOM 1079 N TYR A 67 3.382 5.624 -2.462 1.00 0.00 N ATOM 1080 CA TYR A 67 2.138 5.864 -1.738 1.00 0.00 C ATOM 1081 C TYR A 67 2.287 7.093 -0.843 1.00 0.00 C ATOM 1082 O TYR A 67 1.523 8.052 -0.954 1.00 0.00 O ATOM 1083 CB TYR A 67 1.782 4.635 -0.891 1.00 0.00 C ATOM 1084 CG TYR A 67 0.678 4.981 0.085 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -0.652 5.031 -0.349 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.988 5.255 1.424 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -1.671 5.358 0.553 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.032 5.580 2.325 1.00 0.00 C ATOM 1089 CZ TYR A 67 -1.360 5.631 1.889 1.00 0.00 C ATOM 1090 OH TYR A 67 -2.364 5.957 2.778 1.00 0.00 O ATOM 0 H TYR A 67 3.745 4.674 -2.378 1.00 0.00 H new ATOM 0 HA TYR A 67 1.336 6.044 -2.454 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.464 3.817 -1.538 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.662 4.289 -0.349 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -0.892 4.817 -1.380 1.00 0.00 H new ATOM 0 HD2 TYR A 67 2.014 5.215 1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -2.697 5.399 0.218 1.00 0.00 H new ATOM 0 HE2 TYR A 67 0.206 5.791 3.357 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.223 5.635 2.433 1.00 0.00 H new ATOM 1100 N GLU A 68 3.283 7.050 0.038 1.00 0.00 N ATOM 1101 CA GLU A 68 3.544 8.156 0.953 1.00 0.00 C ATOM 1102 C GLU A 68 3.736 9.465 0.196 1.00 0.00 C ATOM 1103 O GLU A 68 3.261 10.509 0.631 1.00 0.00 O ATOM 1104 CB GLU A 68 4.795 7.857 1.784 1.00 0.00 C ATOM 1105 CG GLU A 68 4.763 8.670 3.083 1.00 0.00 C ATOM 1106 CD GLU A 68 3.542 8.285 3.917 1.00 0.00 C ATOM 1107 OE1 GLU A 68 3.474 7.140 4.337 1.00 0.00 O ATOM 1108 OE2 GLU A 68 2.694 9.138 4.121 1.00 0.00 O ATOM 0 H GLU A 68 3.922 6.261 0.137 1.00 0.00 H new ATOM 0 HA GLU A 68 2.681 8.263 1.610 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.845 6.792 2.012 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.690 8.103 1.212 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.674 8.492 3.655 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.734 9.735 2.853 1.00 0.00 H new ATOM 1115 N SER A 69 4.440 9.403 -0.930 1.00 0.00 N ATOM 1116 CA SER A 69 4.697 10.598 -1.730 1.00 0.00 C ATOM 1117 C SER A 69 3.391 11.266 -2.163 1.00 0.00 C ATOM 1118 O SER A 69 3.341 12.483 -2.340 1.00 0.00 O ATOM 1119 CB SER A 69 5.526 10.231 -2.964 1.00 0.00 C ATOM 1120 OG SER A 69 4.660 9.929 -4.051 1.00 0.00 O ATOM 0 H SER A 69 4.841 8.545 -1.308 1.00 0.00 H new ATOM 0 HA SER A 69 5.253 11.305 -1.114 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.185 11.057 -3.230 1.00 0.00 H new ATOM 0 HB3 SER A 69 6.163 9.374 -2.745 1.00 0.00 H new ATOM 0 HG SER A 69 4.112 9.149 -3.825 1.00 0.00 H new ATOM 1126 N GLU A 70 2.341 10.464 -2.341 1.00 0.00 N ATOM 1127 CA GLU A 70 1.048 11.000 -2.763 1.00 0.00 C ATOM 1128 C GLU A 70 0.259 11.533 -1.567 1.00 0.00 C ATOM 1129 O GLU A 70 -0.509 12.486 -1.696 1.00 0.00 O ATOM 1130 CB GLU A 70 0.236 9.904 -3.460 1.00 0.00 C ATOM 1131 CG GLU A 70 1.089 9.238 -4.544 1.00 0.00 C ATOM 1132 CD GLU A 70 0.632 9.692 -5.928 1.00 0.00 C ATOM 1133 OE1 GLU A 70 0.949 10.812 -6.297 1.00 0.00 O ATOM 1134 OE2 GLU A 70 -0.027 8.914 -6.598 1.00 0.00 O ATOM 0 H GLU A 70 2.359 9.454 -2.202 1.00 0.00 H new ATOM 0 HA GLU A 70 1.230 11.823 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.089 9.161 -2.732 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.664 10.331 -3.903 1.00 0.00 H new ATOM 0 HG2 GLU A 70 2.139 9.492 -4.398 1.00 0.00 H new ATOM 0 HG3 GLU A 70 1.010 8.154 -4.464 1.00 0.00 H new ATOM 1141 N VAL A 71 0.467 10.921 -0.403 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.217 11.350 0.817 1.00 0.00 C ATOM 1143 C VAL A 71 0.627 12.391 1.547 1.00 0.00 C ATOM 1144 O VAL A 71 0.152 13.078 2.451 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.465 10.149 1.738 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -1.593 10.479 2.720 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -0.863 8.928 0.899 1.00 0.00 C ATOM 0 H VAL A 71 1.100 10.131 -0.278 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.176 11.790 0.544 1.00 0.00 H new ATOM 0 HB VAL A 71 0.447 9.927 2.292 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.768 9.624 3.374 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.311 11.344 3.321 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.504 10.704 2.165 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.038 8.076 1.556 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -1.773 9.150 0.342 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.060 8.689 0.201 1.00 0.00 H new ATOM 1157 N HIS A 72 1.891 12.482 1.146 1.00 0.00 N ATOM 1158 CA HIS A 72 2.832 13.414 1.752 1.00 0.00 C ATOM 1159 C HIS A 72 2.547 14.847 1.297 1.00 0.00 C ATOM 1160 O HIS A 72 3.078 15.805 1.864 1.00 0.00 O ATOM 1161 CB HIS A 72 4.259 13.003 1.361 1.00 0.00 C ATOM 1162 CG HIS A 72 5.238 14.070 1.774 1.00 0.00 C ATOM 1163 ND1 HIS A 72 5.572 14.292 3.101 1.00 0.00 N ATOM 1164 CD2 HIS A 72 5.962 14.983 1.048 1.00 0.00 C ATOM 1165 CE1 HIS A 72 6.461 15.302 3.131 1.00 0.00 C ATOM 1166 NE2 HIS A 72 6.732 15.760 1.907 1.00 0.00 N ATOM 0 H HIS A 72 2.289 11.915 0.397 1.00 0.00 H new ATOM 0 HA HIS A 72 2.723 13.382 2.836 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.517 12.058 1.839 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.317 12.843 0.284 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.937 15.083 -0.027 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.902 15.694 4.036 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.367 16.517 1.656 1.00 0.00 H new ATOM 1175 N GLY A 73 1.699 14.989 0.282 1.00 0.00 N ATOM 1176 CA GLY A 73 1.346 16.311 -0.229 1.00 0.00 C ATOM 1177 C GLY A 73 0.386 17.022 0.720 1.00 0.00 C ATOM 1178 O GLY A 73 0.099 18.209 0.555 1.00 0.00 O ATOM 0 H GLY A 73 1.247 14.212 -0.200 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.248 16.909 -0.356 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.887 16.214 -1.213 1.00 0.00 H new ATOM 1182 N ARG A 74 -0.104 16.285 1.715 1.00 0.00 N ATOM 1183 CA ARG A 74 -1.031 16.842 2.693 1.00 0.00 C ATOM 1184 C ARG A 74 -0.272 17.603 3.778 1.00 0.00 C ATOM 1185 O ARG A 74 0.774 17.154 4.247 1.00 0.00 O ATOM 1186 CB ARG A 74 -1.842 15.714 3.338 1.00 0.00 C ATOM 1187 CG ARG A 74 -3.036 15.360 2.446 1.00 0.00 C ATOM 1188 CD ARG A 74 -3.783 14.164 3.043 1.00 0.00 C ATOM 1189 NE ARG A 74 -4.772 13.655 2.095 1.00 0.00 N ATOM 1190 CZ ARG A 74 -5.979 14.211 1.982 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -6.298 15.247 2.712 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -6.843 13.719 1.136 1.00 0.00 N ATOM 0 H ARG A 74 0.126 15.302 1.864 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.702 17.532 2.181 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -1.211 14.837 3.483 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -2.191 16.022 4.324 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -3.706 16.215 2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -2.693 15.122 1.439 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -3.075 13.375 3.298 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -4.276 14.461 3.969 1.00 0.00 H new ATOM 0 HE ARG A 74 -4.534 12.857 1.507 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -5.623 15.634 3.371 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -7.222 15.669 2.622 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -6.594 12.912 0.564 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -7.767 14.142 1.047 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.813 18.752 4.178 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.185 19.566 5.217 1.00 0.00 C ATOM 1208 C LEU A 75 -0.709 19.157 6.593 1.00 0.00 C ATOM 1209 O LEU A 75 -0.795 19.974 7.511 1.00 0.00 O ATOM 1210 CB LEU A 75 -0.469 21.055 4.964 1.00 0.00 C ATOM 1211 CG LEU A 75 0.530 21.627 3.946 1.00 0.00 C ATOM 1212 CD1 LEU A 75 1.953 21.572 4.514 1.00 0.00 C ATOM 1213 CD2 LEU A 75 0.468 20.819 2.642 1.00 0.00 C ATOM 0 H LEU A 75 -1.679 19.139 3.802 1.00 0.00 H new ATOM 0 HA LEU A 75 0.892 19.404 5.189 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -1.487 21.180 4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -0.401 21.609 5.900 1.00 0.00 H new ATOM 0 HG LEU A 75 0.266 22.665 3.742 1.00 0.00 H new ATOM 0 HD11 LEU A 75 2.652 21.980 3.784 1.00 0.00 H new ATOM 0 HD12 LEU A 75 2.002 22.160 5.431 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.218 20.537 4.732 1.00 0.00 H new ATOM 0 HD21 LEU A 75 1.179 21.230 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 75 0.720 19.778 2.846 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -0.539 20.874 2.227 1.00 0.00 H new ATOM 1225 N GLU A 76 -1.057 17.878 6.721 1.00 0.00 N ATOM 1226 CA GLU A 76 -1.573 17.343 7.977 1.00 0.00 C ATOM 1227 C GLU A 76 -1.249 15.852 8.085 1.00 0.00 C ATOM 1228 O GLU A 76 -2.138 15.019 8.260 1.00 0.00 O ATOM 1229 CB GLU A 76 -3.092 17.558 8.059 1.00 0.00 C ATOM 1230 CG GLU A 76 -3.750 17.149 6.735 1.00 0.00 C ATOM 1231 CD GLU A 76 -5.269 17.100 6.898 1.00 0.00 C ATOM 1232 OE1 GLU A 76 -5.870 18.158 6.985 1.00 0.00 O ATOM 1233 OE2 GLU A 76 -5.807 16.005 6.932 1.00 0.00 O ATOM 0 H GLU A 76 -0.990 17.193 5.968 1.00 0.00 H new ATOM 0 HA GLU A 76 -1.097 17.869 8.805 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -3.507 16.971 8.878 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -3.309 18.604 8.275 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -3.483 17.859 5.952 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -3.378 16.174 6.421 1.00 0.00 H new ATOM 1240 N HIS A 77 0.039 15.529 7.972 1.00 0.00 N ATOM 1241 CA HIS A 77 0.489 14.140 8.050 1.00 0.00 C ATOM 1242 C HIS A 77 0.011 13.487 9.345 1.00 0.00 C ATOM 1243 O HIS A 77 -0.858 12.615 9.326 1.00 0.00 O ATOM 1244 CB HIS A 77 2.021 14.085 7.978 1.00 0.00 C ATOM 1245 CG HIS A 77 2.490 12.653 7.939 1.00 0.00 C ATOM 1246 ND1 HIS A 77 1.615 11.579 8.022 1.00 0.00 N ATOM 1247 CD2 HIS A 77 3.744 12.103 7.824 1.00 0.00 C ATOM 1248 CE1 HIS A 77 2.346 10.452 7.958 1.00 0.00 C ATOM 1249 NE2 HIS A 77 3.650 10.715 7.838 1.00 0.00 N ATOM 0 H HIS A 77 0.787 16.208 7.827 1.00 0.00 H new ATOM 0 HA HIS A 77 0.064 13.593 7.209 1.00 0.00 H new ATOM 0 HB2 HIS A 77 2.370 14.614 7.091 1.00 0.00 H new ATOM 0 HB3 HIS A 77 2.451 14.593 8.841 1.00 0.00 H new ATOM 0 HD2 HIS A 77 4.663 12.663 7.736 1.00 0.00 H new ATOM 0 HE1 HIS A 77 1.930 9.456 7.999 1.00 0.00 H new ATOM 0 HE2 HIS A 77 4.414 10.042 7.771 1.00 0.00 H new ATOM 1258 N HIS A 78 0.590 13.912 10.464 1.00 0.00 N ATOM 1259 CA HIS A 78 0.221 13.360 11.764 1.00 0.00 C ATOM 1260 C HIS A 78 -0.786 14.261 12.469 1.00 0.00 C ATOM 1261 O HIS A 78 -1.045 15.383 12.030 1.00 0.00 O ATOM 1262 CB HIS A 78 1.469 13.198 12.634 1.00 0.00 C ATOM 1263 CG HIS A 78 2.302 12.066 12.100 1.00 0.00 C ATOM 1264 ND1 HIS A 78 1.818 10.770 12.014 1.00 0.00 N ATOM 1265 CD2 HIS A 78 3.584 12.019 11.612 1.00 0.00 C ATOM 1266 CE1 HIS A 78 2.794 10.006 11.492 1.00 0.00 C ATOM 1267 NE2 HIS A 78 3.892 10.718 11.229 1.00 0.00 N ATOM 0 H HIS A 78 1.312 14.632 10.498 1.00 0.00 H new ATOM 0 HA HIS A 78 -0.240 12.385 11.605 1.00 0.00 H new ATOM 0 HB2 HIS A 78 2.048 14.122 12.636 1.00 0.00 H new ATOM 0 HB3 HIS A 78 1.183 12.999 13.667 1.00 0.00 H new ATOM 0 HD2 HIS A 78 4.252 12.864 11.537 1.00 0.00 H new ATOM 0 HE1 HIS A 78 2.701 8.946 11.308 1.00 0.00 H new ATOM 0 HE2 HIS A 78 4.769 10.380 10.832 1.00 0.00 H new ATOM 1276 N HIS A 79 -1.351 13.755 13.562 1.00 0.00 N ATOM 1277 CA HIS A 79 -2.336 14.509 14.333 1.00 0.00 C ATOM 1278 C HIS A 79 -1.700 15.739 14.981 1.00 0.00 C ATOM 1279 O HIS A 79 -2.402 16.669 15.383 1.00 0.00 O ATOM 1280 CB HIS A 79 -2.947 13.614 15.415 1.00 0.00 C ATOM 1281 CG HIS A 79 -1.863 13.089 16.317 1.00 0.00 C ATOM 1282 ND1 HIS A 79 -1.617 13.631 17.568 1.00 0.00 N ATOM 1283 CD2 HIS A 79 -0.954 12.070 16.164 1.00 0.00 C ATOM 1284 CE1 HIS A 79 -0.600 12.942 18.116 1.00 0.00 C ATOM 1285 NE2 HIS A 79 -0.159 11.980 17.303 1.00 0.00 N ATOM 0 H HIS A 79 -1.144 12.828 13.933 1.00 0.00 H new ATOM 0 HA HIS A 79 -3.118 14.844 13.652 1.00 0.00 H new ATOM 0 HB2 HIS A 79 -3.675 14.178 15.997 1.00 0.00 H new ATOM 0 HB3 HIS A 79 -3.482 12.784 14.953 1.00 0.00 H new ATOM 0 HD2 HIS A 79 -0.869 11.436 15.294 1.00 0.00 H new ATOM 0 HE1 HIS A 79 -0.190 13.143 19.095 1.00 0.00 H new ATOM 0 HE2 HIS A 79 0.599 11.320 17.479 1.00 0.00 H new ATOM 1294 N HIS A 80 -0.371 15.739 15.077 1.00 0.00 N ATOM 1295 CA HIS A 80 0.343 16.863 15.676 1.00 0.00 C ATOM 1296 C HIS A 80 -0.005 18.161 14.953 1.00 0.00 C ATOM 1297 O HIS A 80 0.029 18.225 13.724 1.00 0.00 O ATOM 1298 CB HIS A 80 1.854 16.623 15.612 1.00 0.00 C ATOM 1299 CG HIS A 80 2.232 15.555 16.601 1.00 0.00 C ATOM 1300 ND1 HIS A 80 2.925 15.837 17.769 1.00 0.00 N ATOM 1301 CD2 HIS A 80 2.012 14.200 16.615 1.00 0.00 C ATOM 1302 CE1 HIS A 80 3.095 14.678 18.430 1.00 0.00 C ATOM 1303 NE2 HIS A 80 2.557 13.648 17.771 1.00 0.00 N ATOM 0 H HIS A 80 0.227 14.980 14.751 1.00 0.00 H new ATOM 0 HA HIS A 80 0.039 16.949 16.719 1.00 0.00 H new ATOM 0 HB2 HIS A 80 2.143 16.321 14.605 1.00 0.00 H new ATOM 0 HB3 HIS A 80 2.390 17.546 15.834 1.00 0.00 H new ATOM 0 HD2 HIS A 80 1.494 13.646 15.846 1.00 0.00 H new ATOM 0 HE1 HIS A 80 3.605 14.591 19.378 1.00 0.00 H new ATOM 0 HE2 HIS A 80 2.548 12.668 18.054 1.00 0.00 H new ATOM 1312 N HIS A 81 -0.352 19.188 15.727 1.00 0.00 N ATOM 1313 CA HIS A 81 -0.719 20.480 15.157 1.00 0.00 C ATOM 1314 C HIS A 81 -0.404 21.608 16.135 1.00 0.00 C ATOM 1315 O HIS A 81 -0.310 22.772 15.743 1.00 0.00 O ATOM 1316 CB HIS A 81 -2.213 20.487 14.821 1.00 0.00 C ATOM 1317 CG HIS A 81 -2.581 21.785 14.155 1.00 0.00 C ATOM 1318 ND1 HIS A 81 -3.285 22.780 14.815 1.00 0.00 N ATOM 1319 CD2 HIS A 81 -2.355 22.264 12.888 1.00 0.00 C ATOM 1320 CE1 HIS A 81 -3.459 23.796 13.950 1.00 0.00 C ATOM 1321 NE2 HIS A 81 -2.912 23.533 12.761 1.00 0.00 N ATOM 0 H HIS A 81 -0.386 19.150 16.746 1.00 0.00 H new ATOM 0 HA HIS A 81 -0.139 20.639 14.248 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -2.451 19.651 14.164 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -2.800 20.355 15.730 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -1.826 21.736 12.109 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -3.978 24.713 14.189 1.00 0.00 H new ATOM 0 HE2 HIS A 81 -2.904 24.133 11.936 1.00 0.00 H new ATOM 1330 N HIS A 82 -0.244 21.255 17.409 1.00 0.00 N ATOM 1331 CA HIS A 82 0.058 22.244 18.439 1.00 0.00 C ATOM 1332 C HIS A 82 1.280 23.077 18.049 1.00 0.00 C ATOM 1333 O HIS A 82 2.280 22.486 17.674 1.00 0.00 O ATOM 1334 CB HIS A 82 0.322 21.542 19.776 1.00 0.00 C ATOM 1335 CG HIS A 82 0.514 22.571 20.856 1.00 0.00 C ATOM 1336 ND1 HIS A 82 -0.514 22.960 21.698 1.00 0.00 N ATOM 1337 CD2 HIS A 82 1.611 23.306 21.237 1.00 0.00 C ATOM 1338 CE1 HIS A 82 -0.021 23.890 22.537 1.00 0.00 C ATOM 1339 NE2 HIS A 82 1.270 24.137 22.300 1.00 0.00 N ATOM 1340 OXT HIS A 82 1.195 24.292 18.127 1.00 0.00 O ATOM 0 H HIS A 82 -0.318 20.297 17.750 1.00 0.00 H new ATOM 0 HA HIS A 82 -0.801 22.908 18.538 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -0.514 20.889 20.027 1.00 0.00 H new ATOM 0 HB3 HIS A 82 1.208 20.911 19.699 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.588 23.248 20.781 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -0.599 24.377 23.308 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.876 24.794 22.792 1.00 0.00 H new TER 1349 HIS A 82