USER MOD reduce.3.24.130724 H: found=0, std=0, add=639, rem=0, adj=26 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 80 HIS : no HD1:sc= -1.92 K(o=-3.8,f=-0.89!) USER MOD Set 1.2: A 82 HIS : no HD1:sc= -1.9 K(o=-3.8,f=-0.89) USER MOD Set 2.1: A 19 SER OG : rot 180:sc= -0.232 USER MOD Set 2.2: A 56 THR OG1 : rot 180:sc= 0.12 USER MOD Set 2.3: A 59 THR OG1 : rot 131:sc= 0.89 USER MOD Set 3.1: A 32 SER OG : rot 26:sc= 0.827 USER MOD Set 3.2: A 46 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 13 HIS : no HE2:sc= -2.33 K(o=-2.3,f=-5.5!) USER MOD Set 4.2: A 21 SER OG : rot -160:sc= 0 USER MOD Set 5.1: A 3 SER OG : rot 80:sc= 0.121 USER MOD Set 5.2: A 6 HIS : no HD1:sc= -2.09 K(o=-2,f=-2.7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 176:sc= 0.981 (180deg=0.739) USER MOD Single : A 2 LYS NZ :NH3+ -117:sc= 0.741 (180deg=-1.9!) USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 14:sc= 0.657 USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ -120:sc= -0.17 (180deg=-0.814) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -7.19! C(o=-7.2!,f=-9.7!) USER MOD Single : A 26 GLN : amide:sc= -0.571 K(o=-0.57,f=-1.3!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.496 K(o=-0.5,f=-2.1) USER MOD Single : A 35 LYS NZ :NH3+ -155:sc= 0.13 (180deg=0.0119) USER MOD Single : A 36 THR OG1 : rot -38:sc= 1.04 USER MOD Single : A 37 SER OG : rot -121:sc= 0.862 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot -36:sc= 0.513 USER MOD Single : A 41 HIS : no HD1:sc= -0.371 X(o=-0.37,f=-0.41) USER MOD Single : A 44 SER OG : rot 100:sc= 1.19 USER MOD Single : A 45 SER OG : rot 80:sc= 0.442 USER MOD Single : A 50 ASN : amide:sc= -0.923 X(o=-0.92,f=-1) USER MOD Single : A 53 TYR OH : rot -102:sc= 1.06 USER MOD Single : A 55 HIS : no HD1:sc= -3.32! K(o=-3.3!,f=-2.2) USER MOD Single : A 57 MET CE :methyl 163:sc= -0.167 (180deg=-0.498) USER MOD Single : A 66 GLN : amide:sc= -0.0753 K(o=-0.075,f=-2.8!) USER MOD Single : A 67 TYR OH : rot 77:sc= 1.05 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=-0.12) USER MOD Single : A 77 HIS : no HD1:sc= 0.337 K(o=0.34,f=-1.9!) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 79 HIS : no HD1:sc= -0.761 K(o=-0.76,f=-6.3!) USER MOD Single : A 81 HIS : no HD1:sc= -0.526 X(o=-0.53,f=-0.03) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.785 9.800 7.120 1.00 0.00 N ATOM 2 CA MET A 1 -5.534 8.462 6.509 1.00 0.00 C ATOM 3 C MET A 1 -6.821 7.949 5.871 1.00 0.00 C ATOM 4 O MET A 1 -7.908 8.460 6.147 1.00 0.00 O ATOM 5 CB MET A 1 -5.062 7.488 7.595 1.00 0.00 C ATOM 6 CG MET A 1 -3.546 7.608 7.769 1.00 0.00 C ATOM 7 SD MET A 1 -3.115 9.318 8.180 1.00 0.00 S ATOM 8 CE MET A 1 -1.624 8.956 9.140 1.00 0.00 C ATOM 0 H1 MET A 1 -4.928 10.122 7.614 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.031 10.482 6.374 1.00 0.00 H new ATOM 0 H3 MET A 1 -6.570 9.730 7.798 1.00 0.00 H new ATOM 0 HA MET A 1 -4.763 8.544 5.743 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.565 7.707 8.537 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.327 6.467 7.322 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.206 6.937 8.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.040 7.305 6.853 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.187 9.888 9.498 1.00 0.00 H new ATOM 0 HE2 MET A 1 -1.883 8.326 9.991 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.903 8.435 8.510 1.00 0.00 H new ATOM 20 N LYS A 2 -6.692 6.935 5.020 1.00 0.00 N ATOM 21 CA LYS A 2 -7.852 6.357 4.349 1.00 0.00 C ATOM 22 C LYS A 2 -7.620 4.877 4.045 1.00 0.00 C ATOM 23 O LYS A 2 -6.997 4.535 3.041 1.00 0.00 O ATOM 24 CB LYS A 2 -8.145 7.121 3.051 1.00 0.00 C ATOM 25 CG LYS A 2 -6.958 6.995 2.087 1.00 0.00 C ATOM 26 CD LYS A 2 -6.607 8.369 1.509 1.00 0.00 C ATOM 27 CE LYS A 2 -5.736 8.194 0.261 1.00 0.00 C ATOM 28 NZ LYS A 2 -4.492 7.452 0.619 1.00 0.00 N ATOM 0 H LYS A 2 -5.802 6.499 4.780 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.711 6.441 5.014 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -9.047 6.727 2.583 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -8.334 8.171 3.273 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -6.096 6.580 2.610 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -7.205 6.304 1.281 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -7.518 8.912 1.256 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -6.078 8.964 2.254 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -6.287 7.651 -0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -5.483 9.168 -0.158 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -3.665 8.060 0.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.526 7.180 1.622 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -4.416 6.597 0.031 1.00 0.00 H new ATOM 42 N SER A 3 -8.135 4.016 4.931 1.00 0.00 N ATOM 43 CA SER A 3 -8.014 2.555 4.797 1.00 0.00 C ATOM 44 C SER A 3 -7.059 2.147 3.673 1.00 0.00 C ATOM 45 O SER A 3 -7.410 2.217 2.493 1.00 0.00 O ATOM 46 CB SER A 3 -9.393 1.949 4.533 1.00 0.00 C ATOM 47 OG SER A 3 -9.304 0.531 4.592 1.00 0.00 O ATOM 0 H SER A 3 -8.648 4.310 5.762 1.00 0.00 H new ATOM 0 HA SER A 3 -7.601 2.177 5.733 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.109 2.311 5.271 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.759 2.261 3.555 1.00 0.00 H new ATOM 0 HG SER A 3 -9.303 0.242 5.528 1.00 0.00 H new ATOM 53 N PHE A 4 -5.859 1.711 4.049 1.00 0.00 N ATOM 54 CA PHE A 4 -4.861 1.290 3.068 1.00 0.00 C ATOM 55 C PHE A 4 -5.481 0.346 2.039 1.00 0.00 C ATOM 56 O PHE A 4 -5.095 0.352 0.869 1.00 0.00 O ATOM 57 CB PHE A 4 -3.697 0.589 3.776 1.00 0.00 C ATOM 58 CG PHE A 4 -2.618 0.259 2.770 1.00 0.00 C ATOM 59 CD1 PHE A 4 -1.610 1.190 2.494 1.00 0.00 C ATOM 60 CD2 PHE A 4 -2.627 -0.978 2.112 1.00 0.00 C ATOM 61 CE1 PHE A 4 -0.612 0.886 1.560 1.00 0.00 C ATOM 62 CE2 PHE A 4 -1.629 -1.282 1.179 1.00 0.00 C ATOM 63 CZ PHE A 4 -0.622 -0.350 0.903 1.00 0.00 C ATOM 0 H PHE A 4 -5.555 1.640 5.020 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.491 2.175 2.551 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.294 1.231 4.559 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -4.048 -0.322 4.260 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -1.602 2.143 3.002 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.404 -1.697 2.325 1.00 0.00 H new ATOM 0 HE1 PHE A 4 0.165 1.605 1.347 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.636 -2.236 0.672 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.148 -0.585 0.183 1.00 0.00 H new ATOM 73 N TYR A 5 -6.449 -0.455 2.480 1.00 0.00 N ATOM 74 CA TYR A 5 -7.120 -1.393 1.585 1.00 0.00 C ATOM 75 C TYR A 5 -7.860 -0.638 0.483 1.00 0.00 C ATOM 76 O TYR A 5 -7.777 -1.000 -0.692 1.00 0.00 O ATOM 77 CB TYR A 5 -8.112 -2.254 2.374 1.00 0.00 C ATOM 78 CG TYR A 5 -8.687 -3.322 1.469 1.00 0.00 C ATOM 79 CD1 TYR A 5 -7.906 -4.423 1.096 1.00 0.00 C ATOM 80 CD2 TYR A 5 -10.003 -3.208 1.002 1.00 0.00 C ATOM 81 CE1 TYR A 5 -8.439 -5.408 0.257 1.00 0.00 C ATOM 82 CE2 TYR A 5 -10.536 -4.194 0.163 1.00 0.00 C ATOM 83 CZ TYR A 5 -9.754 -5.294 -0.210 1.00 0.00 C ATOM 84 OH TYR A 5 -10.279 -6.265 -1.038 1.00 0.00 O ATOM 0 H TYR A 5 -6.783 -0.473 3.443 1.00 0.00 H new ATOM 0 HA TYR A 5 -6.367 -2.037 1.130 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.612 -2.715 3.226 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.913 -1.631 2.773 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.892 -4.512 1.456 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.606 -2.360 1.289 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.836 -6.256 -0.030 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -11.551 -4.106 -0.197 1.00 0.00 H new ATOM 0 HH TYR A 5 -11.203 -6.033 -1.269 1.00 0.00 H new ATOM 94 N HIS A 6 -8.580 0.414 0.870 1.00 0.00 N ATOM 95 CA HIS A 6 -9.329 1.215 -0.095 1.00 0.00 C ATOM 96 C HIS A 6 -8.383 1.982 -1.005 1.00 0.00 C ATOM 97 O HIS A 6 -8.609 2.074 -2.211 1.00 0.00 O ATOM 98 CB HIS A 6 -10.237 2.207 0.616 1.00 0.00 C ATOM 99 CG HIS A 6 -11.157 1.480 1.561 1.00 0.00 C ATOM 100 ND1 HIS A 6 -11.219 0.096 1.616 1.00 0.00 N ATOM 101 CD2 HIS A 6 -12.059 1.931 2.494 1.00 0.00 C ATOM 102 CE1 HIS A 6 -12.128 -0.234 2.551 1.00 0.00 C ATOM 103 NE2 HIS A 6 -12.670 0.846 3.117 1.00 0.00 N ATOM 0 H HIS A 6 -8.660 0.729 1.837 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.934 0.531 -0.690 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -9.637 2.932 1.166 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -10.821 2.766 -0.115 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -12.263 2.969 2.711 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.388 -1.249 2.812 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -13.380 0.871 3.849 1.00 0.00 H new ATOM 112 N TYR A 7 -7.312 2.525 -0.435 1.00 0.00 N ATOM 113 CA TYR A 7 -6.351 3.251 -1.246 1.00 0.00 C ATOM 114 C TYR A 7 -5.879 2.309 -2.341 1.00 0.00 C ATOM 115 O TYR A 7 -5.885 2.647 -3.525 1.00 0.00 O ATOM 116 CB TYR A 7 -5.164 3.712 -0.392 1.00 0.00 C ATOM 117 CG TYR A 7 -4.090 4.295 -1.284 1.00 0.00 C ATOM 118 CD1 TYR A 7 -4.290 5.535 -1.903 1.00 0.00 C ATOM 119 CD2 TYR A 7 -2.894 3.595 -1.492 1.00 0.00 C ATOM 120 CE1 TYR A 7 -3.295 6.075 -2.729 1.00 0.00 C ATOM 121 CE2 TYR A 7 -1.900 4.135 -2.317 1.00 0.00 C ATOM 122 CZ TYR A 7 -2.101 5.374 -2.936 1.00 0.00 C ATOM 123 OH TYR A 7 -1.121 5.906 -3.749 1.00 0.00 O ATOM 0 H TYR A 7 -7.094 2.477 0.560 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.811 4.141 -1.675 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.493 4.457 0.333 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.763 2.872 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.211 6.075 -1.744 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.739 2.638 -1.016 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -3.449 7.032 -3.206 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.978 3.595 -2.476 1.00 0.00 H new ATOM 0 HH TYR A 7 -1.314 6.852 -3.918 1.00 0.00 H new ATOM 133 N LEU A 8 -5.509 1.105 -1.916 1.00 0.00 N ATOM 134 CA LEU A 8 -5.071 0.064 -2.831 1.00 0.00 C ATOM 135 C LEU A 8 -6.175 -0.280 -3.833 1.00 0.00 C ATOM 136 O LEU A 8 -5.885 -0.709 -4.952 1.00 0.00 O ATOM 137 CB LEU A 8 -4.688 -1.191 -2.040 1.00 0.00 C ATOM 138 CG LEU A 8 -3.525 -1.909 -2.731 1.00 0.00 C ATOM 139 CD1 LEU A 8 -2.232 -1.110 -2.535 1.00 0.00 C ATOM 140 CD2 LEU A 8 -3.361 -3.303 -2.121 1.00 0.00 C ATOM 0 H LEU A 8 -5.505 0.828 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 8 -4.205 0.431 -3.381 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -4.406 -0.918 -1.023 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -5.546 -1.859 -1.964 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.734 -1.996 -3.797 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -1.408 -1.625 -3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -2.349 -0.116 -2.967 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -2.018 -1.020 -1.470 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.534 -3.819 -2.609 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -3.153 -3.211 -1.055 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.279 -3.873 -2.264 1.00 0.00 H new ATOM 152 N LEU A 9 -7.443 -0.110 -3.427 1.00 0.00 N ATOM 153 CA LEU A 9 -8.560 -0.432 -4.319 1.00 0.00 C ATOM 154 C LEU A 9 -8.487 0.388 -5.605 1.00 0.00 C ATOM 155 O LEU A 9 -9.009 -0.023 -6.641 1.00 0.00 O ATOM 156 CB LEU A 9 -9.904 -0.190 -3.620 1.00 0.00 C ATOM 157 CG LEU A 9 -10.513 -1.529 -3.190 1.00 0.00 C ATOM 158 CD1 LEU A 9 -11.588 -1.285 -2.128 1.00 0.00 C ATOM 159 CD2 LEU A 9 -11.143 -2.220 -4.405 1.00 0.00 C ATOM 0 H LEU A 9 -7.714 0.240 -2.508 1.00 0.00 H new ATOM 0 HA LEU A 9 -8.484 -1.489 -4.576 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.762 0.451 -2.750 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -10.586 0.331 -4.292 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.731 -2.165 -2.776 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.021 -2.238 -1.823 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.140 -0.796 -1.263 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -12.370 -0.647 -2.541 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -11.576 -3.172 -4.098 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -11.924 -1.584 -4.821 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -10.378 -2.396 -5.161 1.00 0.00 H new ATOM 171 N LYS A 10 -7.833 1.544 -5.536 1.00 0.00 N ATOM 172 CA LYS A 10 -7.696 2.405 -6.707 1.00 0.00 C ATOM 173 C LYS A 10 -6.700 1.801 -7.697 1.00 0.00 C ATOM 174 O LYS A 10 -6.668 2.177 -8.870 1.00 0.00 O ATOM 175 CB LYS A 10 -7.216 3.795 -6.278 1.00 0.00 C ATOM 176 CG LYS A 10 -7.137 4.715 -7.502 1.00 0.00 C ATOM 177 CD LYS A 10 -7.117 6.179 -7.048 1.00 0.00 C ATOM 178 CE LYS A 10 -7.008 7.096 -8.270 1.00 0.00 C ATOM 179 NZ LYS A 10 -7.105 8.518 -7.835 1.00 0.00 N ATOM 0 H LYS A 10 -7.393 1.904 -4.689 1.00 0.00 H new ATOM 0 HA LYS A 10 -8.668 2.491 -7.192 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -7.899 4.214 -5.539 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.238 3.722 -5.802 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.240 4.491 -8.080 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.990 4.539 -8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -8.024 6.409 -6.488 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.276 6.350 -6.376 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -6.061 6.925 -8.783 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -7.802 6.867 -8.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -7.031 9.141 -8.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.019 8.675 -7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -6.333 8.732 -7.172 1.00 0.00 H new ATOM 193 N TYR A 11 -5.886 0.867 -7.209 1.00 0.00 N ATOM 194 CA TYR A 11 -4.885 0.212 -8.036 1.00 0.00 C ATOM 195 C TYR A 11 -5.228 -1.262 -8.235 1.00 0.00 C ATOM 196 O TYR A 11 -4.359 -2.129 -8.134 1.00 0.00 O ATOM 197 CB TYR A 11 -3.515 0.345 -7.367 1.00 0.00 C ATOM 198 CG TYR A 11 -2.972 1.739 -7.591 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.740 2.203 -8.893 1.00 0.00 C ATOM 200 CD2 TYR A 11 -2.701 2.569 -6.495 1.00 0.00 C ATOM 201 CE1 TYR A 11 -2.238 3.493 -9.098 1.00 0.00 C ATOM 202 CE2 TYR A 11 -2.198 3.860 -6.701 1.00 0.00 C ATOM 203 CZ TYR A 11 -1.967 4.322 -8.003 1.00 0.00 C ATOM 204 OH TYR A 11 -1.471 5.594 -8.206 1.00 0.00 O ATOM 0 H TYR A 11 -5.904 0.548 -6.240 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.865 0.691 -9.015 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.600 0.145 -6.299 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.826 -0.394 -7.776 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -2.949 1.564 -9.739 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -2.880 2.213 -5.491 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -2.059 3.849 -10.102 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -1.988 4.499 -5.856 1.00 0.00 H new ATOM 0 HH TYR A 11 -1.340 6.036 -7.341 1.00 0.00 H new ATOM 214 N ARG A 12 -6.499 -1.542 -8.521 1.00 0.00 N ATOM 215 CA ARG A 12 -6.940 -2.921 -8.734 1.00 0.00 C ATOM 216 C ARG A 12 -6.170 -3.572 -9.866 1.00 0.00 C ATOM 217 O ARG A 12 -6.289 -4.772 -10.114 1.00 0.00 O ATOM 218 CB ARG A 12 -8.430 -2.949 -9.058 1.00 0.00 C ATOM 219 CG ARG A 12 -9.225 -3.059 -7.763 1.00 0.00 C ATOM 220 CD ARG A 12 -10.720 -3.093 -8.084 1.00 0.00 C ATOM 221 NE ARG A 12 -11.003 -4.133 -9.068 1.00 0.00 N ATOM 222 CZ ARG A 12 -12.238 -4.350 -9.513 1.00 0.00 C ATOM 223 NH1 ARG A 12 -13.233 -3.632 -9.064 1.00 0.00 N ATOM 224 NH2 ARG A 12 -12.456 -5.282 -10.401 1.00 0.00 N ATOM 0 H ARG A 12 -7.235 -0.841 -8.610 1.00 0.00 H new ATOM 0 HA ARG A 12 -6.751 -3.479 -7.817 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.714 -2.045 -9.597 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -8.656 -3.793 -9.710 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -8.938 -3.961 -7.223 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.001 -2.213 -7.113 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.290 -3.279 -7.174 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -11.039 -2.124 -8.467 1.00 0.00 H new ATOM 0 HE ARG A 12 -10.237 -4.706 -9.422 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -13.064 -2.903 -8.371 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -14.179 -3.800 -9.407 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -11.680 -5.843 -10.753 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -13.402 -5.449 -10.743 1.00 0.00 H new ATOM 238 N HIS A 13 -5.378 -2.753 -10.521 1.00 0.00 N ATOM 239 CA HIS A 13 -4.538 -3.180 -11.640 1.00 0.00 C ATOM 240 C HIS A 13 -5.142 -4.379 -12.370 1.00 0.00 C ATOM 241 O HIS A 13 -4.714 -5.516 -12.170 1.00 0.00 O ATOM 242 CB HIS A 13 -3.144 -3.541 -11.126 1.00 0.00 C ATOM 243 CG HIS A 13 -2.318 -2.289 -10.987 1.00 0.00 C ATOM 244 ND1 HIS A 13 -2.063 -1.703 -9.757 1.00 0.00 N ATOM 245 CD2 HIS A 13 -1.678 -1.505 -11.915 1.00 0.00 C ATOM 246 CE1 HIS A 13 -1.297 -0.618 -9.976 1.00 0.00 C ATOM 247 NE2 HIS A 13 -1.034 -0.452 -11.274 1.00 0.00 N ATOM 0 H HIS A 13 -5.291 -1.762 -10.297 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.473 -2.353 -12.347 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -3.220 -4.048 -10.164 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -2.660 -4.234 -11.814 1.00 0.00 H new ATOM 0 HD1 HIS A 13 -2.395 -2.034 -8.851 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -1.675 -1.680 -12.981 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -0.939 0.038 -9.197 1.00 0.00 H new ATOM 256 N PRO A 14 -6.117 -4.150 -13.210 1.00 0.00 N ATOM 257 CA PRO A 14 -6.775 -5.244 -13.982 1.00 0.00 C ATOM 258 C PRO A 14 -5.806 -5.891 -14.970 1.00 0.00 C ATOM 259 O PRO A 14 -6.149 -6.850 -15.661 1.00 0.00 O ATOM 260 CB PRO A 14 -7.931 -4.544 -14.704 1.00 0.00 C ATOM 261 CG PRO A 14 -7.564 -3.097 -14.744 1.00 0.00 C ATOM 262 CD PRO A 14 -6.693 -2.833 -13.517 1.00 0.00 C ATOM 0 HA PRO A 14 -7.116 -6.059 -13.344 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -8.063 -4.943 -15.710 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -8.872 -4.695 -14.175 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -7.024 -2.860 -15.661 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -8.456 -2.471 -14.728 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -5.918 -2.096 -13.727 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -7.281 -2.449 -12.683 1.00 0.00 H new ATOM 270 N LYS A 15 -4.586 -5.356 -15.007 1.00 0.00 N ATOM 271 CA LYS A 15 -3.537 -5.868 -15.882 1.00 0.00 C ATOM 272 C LYS A 15 -2.183 -5.718 -15.187 1.00 0.00 C ATOM 273 O LYS A 15 -1.398 -4.830 -15.520 1.00 0.00 O ATOM 274 CB LYS A 15 -3.535 -5.100 -17.209 1.00 0.00 C ATOM 275 CG LYS A 15 -4.727 -5.545 -18.062 1.00 0.00 C ATOM 276 CD LYS A 15 -4.600 -4.959 -19.473 1.00 0.00 C ATOM 277 CE LYS A 15 -3.811 -5.922 -20.367 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.596 -7.173 -20.565 1.00 0.00 N ATOM 0 H LYS A 15 -4.300 -4.561 -14.435 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.723 -6.921 -16.091 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.590 -4.028 -17.020 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.603 -5.282 -17.745 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.765 -6.633 -18.112 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.659 -5.214 -17.603 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -5.590 -4.785 -19.895 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -4.097 -3.993 -19.431 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.604 -5.454 -21.329 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.848 -6.153 -19.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.054 -7.984 -20.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -5.497 -7.102 -20.051 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.786 -7.307 -21.579 1.00 0.00 H new ATOM 292 N PRO A 16 -1.917 -6.561 -14.217 1.00 0.00 N ATOM 293 CA PRO A 16 -0.647 -6.529 -13.431 1.00 0.00 C ATOM 294 C PRO A 16 0.589 -6.332 -14.306 1.00 0.00 C ATOM 295 O PRO A 16 0.694 -6.906 -15.390 1.00 0.00 O ATOM 296 CB PRO A 16 -0.609 -7.893 -12.742 1.00 0.00 C ATOM 297 CG PRO A 16 -2.031 -8.343 -12.647 1.00 0.00 C ATOM 298 CD PRO A 16 -2.810 -7.641 -13.763 1.00 0.00 C ATOM 0 HA PRO A 16 -0.630 -5.689 -12.737 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.012 -8.603 -13.314 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.156 -7.819 -11.753 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -2.099 -9.426 -12.754 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.448 -8.093 -11.672 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -3.045 -8.329 -14.575 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.757 -7.245 -13.397 1.00 0.00 H new ATOM 306 N LYS A 17 1.522 -5.518 -13.815 1.00 0.00 N ATOM 307 CA LYS A 17 2.758 -5.242 -14.541 1.00 0.00 C ATOM 308 C LYS A 17 3.887 -4.934 -13.561 1.00 0.00 C ATOM 309 O LYS A 17 4.902 -5.632 -13.529 1.00 0.00 O ATOM 310 CB LYS A 17 2.563 -4.049 -15.485 1.00 0.00 C ATOM 311 CG LYS A 17 1.798 -4.495 -16.737 1.00 0.00 C ATOM 312 CD LYS A 17 1.868 -3.397 -17.804 1.00 0.00 C ATOM 313 CE LYS A 17 0.996 -2.209 -17.385 1.00 0.00 C ATOM 314 NZ LYS A 17 0.773 -1.319 -18.559 1.00 0.00 N ATOM 0 H LYS A 17 1.445 -5.039 -12.918 1.00 0.00 H new ATOM 0 HA LYS A 17 3.019 -6.124 -15.126 1.00 0.00 H new ATOM 0 HB2 LYS A 17 2.014 -3.257 -14.976 1.00 0.00 H new ATOM 0 HB3 LYS A 17 3.531 -3.635 -15.768 1.00 0.00 H new ATOM 0 HG2 LYS A 17 2.224 -5.420 -17.125 1.00 0.00 H new ATOM 0 HG3 LYS A 17 0.759 -4.704 -16.484 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.900 -3.073 -17.938 1.00 0.00 H new ATOM 0 HD3 LYS A 17 1.529 -3.788 -18.764 1.00 0.00 H new ATOM 0 HE2 LYS A 17 0.041 -2.564 -16.997 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.480 -1.654 -16.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.181 -0.512 -18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 1.688 -0.971 -18.909 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.294 -1.852 -19.313 1.00 0.00 H new ATOM 328 N ASP A 18 3.699 -3.886 -12.762 1.00 0.00 N ATOM 329 CA ASP A 18 4.701 -3.488 -11.779 1.00 0.00 C ATOM 330 C ASP A 18 4.558 -4.315 -10.506 1.00 0.00 C ATOM 331 O ASP A 18 3.526 -4.949 -10.282 1.00 0.00 O ATOM 332 CB ASP A 18 4.548 -2.000 -11.447 1.00 0.00 C ATOM 333 CG ASP A 18 4.295 -1.201 -12.724 1.00 0.00 C ATOM 334 OD1 ASP A 18 5.174 -1.177 -13.569 1.00 0.00 O ATOM 335 OD2 ASP A 18 3.225 -0.627 -12.839 1.00 0.00 O ATOM 0 H ASP A 18 2.865 -3.300 -12.776 1.00 0.00 H new ATOM 0 HA ASP A 18 5.690 -3.663 -12.203 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.722 -1.858 -10.750 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.448 -1.635 -10.953 1.00 0.00 H new ATOM 340 N SER A 19 5.600 -4.303 -9.677 1.00 0.00 N ATOM 341 CA SER A 19 5.586 -5.053 -8.426 1.00 0.00 C ATOM 342 C SER A 19 4.357 -4.694 -7.593 1.00 0.00 C ATOM 343 O SER A 19 3.699 -5.568 -7.032 1.00 0.00 O ATOM 344 CB SER A 19 6.858 -4.757 -7.629 1.00 0.00 C ATOM 345 OG SER A 19 6.720 -3.512 -6.954 1.00 0.00 O ATOM 0 H SER A 19 6.461 -3.784 -9.849 1.00 0.00 H new ATOM 0 HA SER A 19 5.545 -6.116 -8.661 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.042 -5.554 -6.909 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.719 -4.726 -8.297 1.00 0.00 H new ATOM 0 HG SER A 19 7.535 -3.325 -6.443 1.00 0.00 H new ATOM 351 N ILE A 20 4.058 -3.401 -7.515 1.00 0.00 N ATOM 352 CA ILE A 20 2.907 -2.937 -6.747 1.00 0.00 C ATOM 353 C ILE A 20 1.599 -3.411 -7.381 1.00 0.00 C ATOM 354 O ILE A 20 0.618 -3.668 -6.682 1.00 0.00 O ATOM 355 CB ILE A 20 2.923 -1.402 -6.648 1.00 0.00 C ATOM 356 CG1 ILE A 20 2.204 -0.966 -5.364 1.00 0.00 C ATOM 357 CG2 ILE A 20 2.222 -0.783 -7.865 1.00 0.00 C ATOM 358 CD1 ILE A 20 2.333 0.551 -5.189 1.00 0.00 C ATOM 0 H ILE A 20 4.592 -2.661 -7.970 1.00 0.00 H new ATOM 0 HA ILE A 20 2.972 -3.360 -5.745 1.00 0.00 H new ATOM 0 HB ILE A 20 3.957 -1.059 -6.625 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.152 -1.248 -5.411 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.633 -1.479 -4.503 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.241 0.304 -7.782 1.00 0.00 H new ATOM 0 HG22 ILE A 20 2.739 -1.086 -8.776 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.188 -1.126 -7.903 1.00 0.00 H new ATOM 0 HD11 ILE A 20 1.821 0.857 -4.276 1.00 0.00 H new ATOM 0 HD12 ILE A 20 3.387 0.821 -5.122 1.00 0.00 H new ATOM 0 HD13 ILE A 20 1.883 1.055 -6.044 1.00 0.00 H new ATOM 370 N SER A 21 1.591 -3.508 -8.710 1.00 0.00 N ATOM 371 CA SER A 21 0.395 -3.932 -9.431 1.00 0.00 C ATOM 372 C SER A 21 0.016 -5.371 -9.088 1.00 0.00 C ATOM 373 O SER A 21 -1.132 -5.644 -8.729 1.00 0.00 O ATOM 374 CB SER A 21 0.638 -3.812 -10.936 1.00 0.00 C ATOM 375 OG SER A 21 1.193 -2.534 -11.223 1.00 0.00 O ATOM 0 H SER A 21 2.394 -3.300 -9.304 1.00 0.00 H new ATOM 0 HA SER A 21 -0.429 -3.285 -9.131 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.315 -4.598 -11.270 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.298 -3.945 -11.479 1.00 0.00 H new ATOM 0 HG SER A 21 1.058 -2.324 -12.171 1.00 0.00 H new ATOM 381 N GLU A 22 0.983 -6.284 -9.188 1.00 0.00 N ATOM 382 CA GLU A 22 0.729 -7.691 -8.877 1.00 0.00 C ATOM 383 C GLU A 22 0.276 -7.837 -7.427 1.00 0.00 C ATOM 384 O GLU A 22 -0.609 -8.637 -7.118 1.00 0.00 O ATOM 385 CB GLU A 22 1.986 -8.537 -9.122 1.00 0.00 C ATOM 386 CG GLU A 22 3.211 -7.845 -8.520 1.00 0.00 C ATOM 387 CD GLU A 22 4.444 -8.732 -8.673 1.00 0.00 C ATOM 388 OE1 GLU A 22 4.654 -9.574 -7.816 1.00 0.00 O ATOM 389 OE2 GLU A 22 5.160 -8.555 -9.645 1.00 0.00 O ATOM 0 H GLU A 22 1.939 -6.078 -9.478 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.063 -8.049 -9.535 1.00 0.00 H new ATOM 0 HB2 GLU A 22 1.861 -9.525 -8.678 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.131 -8.685 -10.192 1.00 0.00 H new ATOM 0 HG2 GLU A 22 3.378 -6.889 -9.016 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.036 -7.631 -7.466 1.00 0.00 H new ATOM 396 N PHE A 23 0.885 -7.047 -6.547 1.00 0.00 N ATOM 397 CA PHE A 23 0.541 -7.076 -5.131 1.00 0.00 C ATOM 398 C PHE A 23 -0.909 -6.644 -4.927 1.00 0.00 C ATOM 399 O PHE A 23 -1.641 -7.243 -4.138 1.00 0.00 O ATOM 400 CB PHE A 23 1.474 -6.137 -4.356 1.00 0.00 C ATOM 401 CG PHE A 23 1.188 -6.237 -2.876 1.00 0.00 C ATOM 402 CD1 PHE A 23 0.167 -5.465 -2.307 1.00 0.00 C ATOM 403 CD2 PHE A 23 1.946 -7.098 -2.072 1.00 0.00 C ATOM 404 CE1 PHE A 23 -0.097 -5.556 -0.936 1.00 0.00 C ATOM 405 CE2 PHE A 23 1.681 -7.188 -0.700 1.00 0.00 C ATOM 406 CZ PHE A 23 0.659 -6.417 -0.132 1.00 0.00 C ATOM 0 H PHE A 23 1.618 -6.380 -6.790 1.00 0.00 H new ATOM 0 HA PHE A 23 0.658 -8.094 -4.761 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.514 -6.399 -4.553 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.334 -5.110 -4.694 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.416 -4.800 -2.926 1.00 0.00 H new ATOM 0 HD2 PHE A 23 2.734 -7.692 -2.510 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -0.885 -4.961 -0.498 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.265 -7.852 -0.080 1.00 0.00 H new ATOM 0 HZ PHE A 23 0.454 -6.487 0.926 1.00 0.00 H new ATOM 416 N ALA A 24 -1.312 -5.594 -5.641 1.00 0.00 N ATOM 417 CA ALA A 24 -2.672 -5.075 -5.532 1.00 0.00 C ATOM 418 C ALA A 24 -3.705 -6.174 -5.772 1.00 0.00 C ATOM 419 O ALA A 24 -4.630 -6.347 -4.976 1.00 0.00 O ATOM 420 CB ALA A 24 -2.882 -3.946 -6.541 1.00 0.00 C ATOM 0 H ALA A 24 -0.718 -5.089 -6.298 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.806 -4.693 -4.520 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.899 -3.564 -6.453 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.174 -3.142 -6.340 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.723 -4.326 -7.550 1.00 0.00 H new ATOM 426 N ASN A 25 -3.545 -6.916 -6.868 1.00 0.00 N ATOM 427 CA ASN A 25 -4.481 -7.996 -7.187 1.00 0.00 C ATOM 428 C ASN A 25 -4.508 -9.023 -6.058 1.00 0.00 C ATOM 429 O ASN A 25 -5.570 -9.523 -5.687 1.00 0.00 O ATOM 430 CB ASN A 25 -4.092 -8.692 -8.498 1.00 0.00 C ATOM 431 CG ASN A 25 -3.307 -7.746 -9.395 1.00 0.00 C ATOM 432 OD1 ASN A 25 -2.086 -7.805 -9.425 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.936 -6.881 -10.141 1.00 0.00 N ATOM 0 H ASN A 25 -2.789 -6.793 -7.541 1.00 0.00 H new ATOM 0 HA ASN A 25 -5.471 -7.556 -7.304 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -3.494 -9.577 -8.282 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -4.989 -9.032 -9.016 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.410 -6.254 -10.749 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.954 -6.831 -10.116 1.00 0.00 H new ATOM 440 N GLN A 26 -3.331 -9.328 -5.517 1.00 0.00 N ATOM 441 CA GLN A 26 -3.225 -10.293 -4.428 1.00 0.00 C ATOM 442 C GLN A 26 -3.976 -9.791 -3.197 1.00 0.00 C ATOM 443 O GLN A 26 -4.783 -10.514 -2.611 1.00 0.00 O ATOM 444 CB GLN A 26 -1.749 -10.520 -4.077 1.00 0.00 C ATOM 445 CG GLN A 26 -1.620 -11.703 -3.110 1.00 0.00 C ATOM 446 CD GLN A 26 -0.203 -11.769 -2.541 1.00 0.00 C ATOM 447 OE1 GLN A 26 0.672 -11.005 -2.950 1.00 0.00 O ATOM 448 NE2 GLN A 26 0.076 -12.645 -1.614 1.00 0.00 N ATOM 0 H GLN A 26 -2.443 -8.923 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 26 -3.670 -11.235 -4.751 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.176 -10.716 -4.984 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.331 -9.621 -3.624 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -2.341 -11.599 -2.299 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.855 -12.633 -3.628 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.649 -13.278 -1.275 1.00 0.00 H new ATOM 0 HE22 GLN A 26 1.019 -12.697 -1.228 1.00 0.00 H new ATOM 457 N ALA A 27 -3.699 -8.546 -2.815 1.00 0.00 N ATOM 458 CA ALA A 27 -4.345 -7.940 -1.653 1.00 0.00 C ATOM 459 C ALA A 27 -5.865 -7.940 -1.805 1.00 0.00 C ATOM 460 O ALA A 27 -6.591 -8.074 -0.821 1.00 0.00 O ATOM 461 CB ALA A 27 -3.848 -6.505 -1.473 1.00 0.00 C ATOM 0 H ALA A 27 -3.033 -7.938 -3.292 1.00 0.00 H new ATOM 0 HA ALA A 27 -4.087 -8.532 -0.775 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -4.333 -6.058 -0.605 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.768 -6.510 -1.323 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.088 -5.923 -2.363 1.00 0.00 H new ATOM 467 N TYR A 28 -6.339 -7.788 -3.041 1.00 0.00 N ATOM 468 CA TYR A 28 -7.778 -7.771 -3.302 1.00 0.00 C ATOM 469 C TYR A 28 -8.428 -9.062 -2.808 1.00 0.00 C ATOM 470 O TYR A 28 -9.594 -9.068 -2.410 1.00 0.00 O ATOM 471 CB TYR A 28 -8.038 -7.604 -4.804 1.00 0.00 C ATOM 472 CG TYR A 28 -9.517 -7.751 -5.088 1.00 0.00 C ATOM 473 CD1 TYR A 28 -10.381 -6.666 -4.893 1.00 0.00 C ATOM 474 CD2 TYR A 28 -10.023 -8.975 -5.546 1.00 0.00 C ATOM 475 CE1 TYR A 28 -11.749 -6.805 -5.155 1.00 0.00 C ATOM 476 CE2 TYR A 28 -11.391 -9.113 -5.807 1.00 0.00 C ATOM 477 CZ TYR A 28 -12.254 -8.029 -5.612 1.00 0.00 C ATOM 478 OH TYR A 28 -13.604 -8.165 -5.870 1.00 0.00 O ATOM 0 H TYR A 28 -5.755 -7.676 -3.870 1.00 0.00 H new ATOM 0 HA TYR A 28 -8.215 -6.930 -2.765 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -7.690 -6.626 -5.136 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -7.475 -8.350 -5.365 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -9.992 -5.722 -4.541 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.357 -9.812 -5.698 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -12.415 -5.968 -5.005 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.781 -10.057 -6.159 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.788 -9.076 -6.181 1.00 0.00 H new ATOM 488 N GLU A 29 -7.664 -10.151 -2.836 1.00 0.00 N ATOM 489 CA GLU A 29 -8.168 -11.442 -2.393 1.00 0.00 C ATOM 490 C GLU A 29 -8.010 -11.586 -0.882 1.00 0.00 C ATOM 491 O GLU A 29 -8.506 -12.542 -0.285 1.00 0.00 O ATOM 492 CB GLU A 29 -7.399 -12.561 -3.098 1.00 0.00 C ATOM 493 CG GLU A 29 -7.126 -12.165 -4.552 1.00 0.00 C ATOM 494 CD GLU A 29 -6.715 -13.390 -5.363 1.00 0.00 C ATOM 495 OE1 GLU A 29 -5.528 -13.668 -5.419 1.00 0.00 O ATOM 496 OE2 GLU A 29 -7.592 -14.032 -5.917 1.00 0.00 O ATOM 0 H GLU A 29 -6.697 -10.163 -3.160 1.00 0.00 H new ATOM 0 HA GLU A 29 -9.227 -11.510 -2.643 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -6.459 -12.751 -2.580 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -7.974 -13.487 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -8.018 -11.714 -4.987 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -6.338 -11.413 -4.590 1.00 0.00 H new ATOM 503 N ASP A 30 -7.325 -10.623 -0.269 1.00 0.00 N ATOM 504 CA ASP A 30 -7.115 -10.643 1.173 1.00 0.00 C ATOM 505 C ASP A 30 -8.350 -10.097 1.889 1.00 0.00 C ATOM 506 O ASP A 30 -8.328 -8.997 2.444 1.00 0.00 O ATOM 507 CB ASP A 30 -5.881 -9.804 1.534 1.00 0.00 C ATOM 508 CG ASP A 30 -5.354 -10.182 2.919 1.00 0.00 C ATOM 509 OD1 ASP A 30 -6.158 -10.520 3.774 1.00 0.00 O ATOM 510 OD2 ASP A 30 -4.150 -10.124 3.107 1.00 0.00 O ATOM 0 H ASP A 30 -6.909 -9.824 -0.747 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.949 -11.671 1.493 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -5.101 -9.957 0.789 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -6.137 -8.745 1.514 1.00 0.00 H new ATOM 515 N HIS A 31 -9.428 -10.876 1.867 1.00 0.00 N ATOM 516 CA HIS A 31 -10.673 -10.471 2.511 1.00 0.00 C ATOM 517 C HIS A 31 -10.485 -10.339 4.022 1.00 0.00 C ATOM 518 O HIS A 31 -11.339 -9.784 4.716 1.00 0.00 O ATOM 519 CB HIS A 31 -11.766 -11.501 2.214 1.00 0.00 C ATOM 520 CG HIS A 31 -12.202 -11.375 0.778 1.00 0.00 C ATOM 521 ND1 HIS A 31 -11.308 -11.098 -0.245 1.00 0.00 N ATOM 522 CD2 HIS A 31 -13.432 -11.487 0.180 1.00 0.00 C ATOM 523 CE1 HIS A 31 -12.008 -11.052 -1.394 1.00 0.00 C ATOM 524 NE2 HIS A 31 -13.307 -11.282 -1.191 1.00 0.00 N ATOM 0 H HIS A 31 -9.464 -11.788 1.412 1.00 0.00 H new ATOM 0 HA HIS A 31 -10.968 -9.500 2.114 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -11.393 -12.507 2.404 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -12.616 -11.345 2.878 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -14.357 -11.702 0.695 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.572 -10.853 -2.362 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -14.049 -11.303 -1.891 1.00 0.00 H new ATOM 533 N SER A 32 -9.364 -10.854 4.525 1.00 0.00 N ATOM 534 CA SER A 32 -9.074 -10.792 5.955 1.00 0.00 C ATOM 535 C SER A 32 -8.166 -9.606 6.278 1.00 0.00 C ATOM 536 O SER A 32 -7.857 -9.356 7.444 1.00 0.00 O ATOM 537 CB SER A 32 -8.397 -12.089 6.403 1.00 0.00 C ATOM 538 OG SER A 32 -7.359 -12.419 5.489 1.00 0.00 O ATOM 0 H SER A 32 -8.646 -11.316 3.967 1.00 0.00 H new ATOM 0 HA SER A 32 -10.016 -10.664 6.489 1.00 0.00 H new ATOM 0 HB2 SER A 32 -7.989 -11.971 7.407 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.127 -12.897 6.448 1.00 0.00 H new ATOM 0 HG SER A 32 -7.036 -11.603 5.052 1.00 0.00 H new ATOM 544 N PHE A 33 -7.745 -8.878 5.243 1.00 0.00 N ATOM 545 CA PHE A 33 -6.875 -7.718 5.434 1.00 0.00 C ATOM 546 C PHE A 33 -7.437 -6.804 6.525 1.00 0.00 C ATOM 547 O PHE A 33 -8.644 -6.569 6.579 1.00 0.00 O ATOM 548 CB PHE A 33 -6.749 -6.933 4.122 1.00 0.00 C ATOM 549 CG PHE A 33 -5.610 -5.943 4.230 1.00 0.00 C ATOM 550 CD1 PHE A 33 -5.837 -4.665 4.758 1.00 0.00 C ATOM 551 CD2 PHE A 33 -4.324 -6.307 3.808 1.00 0.00 C ATOM 552 CE1 PHE A 33 -4.779 -3.752 4.863 1.00 0.00 C ATOM 553 CE2 PHE A 33 -3.268 -5.394 3.915 1.00 0.00 C ATOM 554 CZ PHE A 33 -3.495 -4.117 4.442 1.00 0.00 C ATOM 0 H PHE A 33 -7.990 -9.069 4.271 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.890 -8.071 5.739 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.572 -7.618 3.293 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -7.681 -6.409 3.909 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -6.827 -4.384 5.084 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -4.148 -7.291 3.400 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.954 -2.767 5.269 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -2.277 -5.675 3.591 1.00 0.00 H new ATOM 0 HZ PHE A 33 -2.680 -3.414 4.524 1.00 0.00 H new ATOM 564 N PRO A 34 -6.593 -6.288 7.389 1.00 0.00 N ATOM 565 CA PRO A 34 -7.027 -5.379 8.496 1.00 0.00 C ATOM 566 C PRO A 34 -7.496 -4.017 7.972 1.00 0.00 C ATOM 567 O PRO A 34 -6.847 -2.994 8.197 1.00 0.00 O ATOM 568 CB PRO A 34 -5.769 -5.240 9.363 1.00 0.00 C ATOM 569 CG PRO A 34 -4.629 -5.503 8.439 1.00 0.00 C ATOM 570 CD PRO A 34 -5.136 -6.514 7.412 1.00 0.00 C ATOM 0 HA PRO A 34 -7.882 -5.774 9.045 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -5.700 -4.244 9.801 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.779 -5.951 10.189 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -4.303 -4.584 7.952 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -3.771 -5.898 8.983 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -4.689 -6.347 6.432 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.894 -7.536 7.703 1.00 0.00 H new ATOM 578 N LYS A 35 -8.627 -4.019 7.269 1.00 0.00 N ATOM 579 CA LYS A 35 -9.185 -2.788 6.709 1.00 0.00 C ATOM 580 C LYS A 35 -9.446 -1.758 7.807 1.00 0.00 C ATOM 581 O LYS A 35 -9.295 -0.555 7.589 1.00 0.00 O ATOM 582 CB LYS A 35 -10.497 -3.093 5.977 1.00 0.00 C ATOM 583 CG LYS A 35 -10.325 -4.341 5.104 1.00 0.00 C ATOM 584 CD LYS A 35 -11.462 -4.418 4.082 1.00 0.00 C ATOM 585 CE LYS A 35 -11.398 -5.759 3.347 1.00 0.00 C ATOM 586 NZ LYS A 35 -12.560 -5.877 2.423 1.00 0.00 N ATOM 0 H LYS A 35 -9.175 -4.857 7.073 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.460 -2.376 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -11.299 -3.250 6.698 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.786 -2.243 5.359 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.364 -4.308 4.591 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -10.323 -5.235 5.728 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -12.424 -4.312 4.584 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -11.381 -3.597 3.370 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.466 -5.834 2.787 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.406 -6.579 4.065 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.768 -6.882 2.253 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -13.391 -5.419 2.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.334 -5.412 1.520 1.00 0.00 H new ATOM 600 N THR A 36 -9.844 -2.241 8.983 1.00 0.00 N ATOM 601 CA THR A 36 -10.135 -1.358 10.109 1.00 0.00 C ATOM 602 C THR A 36 -8.926 -1.247 11.041 1.00 0.00 C ATOM 603 O THR A 36 -9.071 -1.243 12.265 1.00 0.00 O ATOM 604 CB THR A 36 -11.354 -1.889 10.882 1.00 0.00 C ATOM 605 OG1 THR A 36 -11.641 -1.025 11.976 1.00 0.00 O ATOM 606 CG2 THR A 36 -11.069 -3.301 11.404 1.00 0.00 C ATOM 0 H THR A 36 -9.972 -3.234 9.179 1.00 0.00 H new ATOM 0 HA THR A 36 -10.358 -0.363 9.723 1.00 0.00 H new ATOM 0 HB THR A 36 -12.213 -1.923 10.211 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.802 -0.710 12.373 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.937 -3.669 11.950 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.860 -3.964 10.564 1.00 0.00 H new ATOM 0 HG23 THR A 36 -10.206 -3.276 12.069 1.00 0.00 H new ATOM 614 N SER A 37 -7.733 -1.146 10.452 1.00 0.00 N ATOM 615 CA SER A 37 -6.505 -1.030 11.231 1.00 0.00 C ATOM 616 C SER A 37 -5.307 -0.946 10.296 1.00 0.00 C ATOM 617 O SER A 37 -4.919 -1.939 9.679 1.00 0.00 O ATOM 618 CB SER A 37 -6.341 -2.240 12.155 1.00 0.00 C ATOM 619 OG SER A 37 -5.247 -2.015 13.035 1.00 0.00 O ATOM 0 H SER A 37 -7.594 -1.142 9.442 1.00 0.00 H new ATOM 0 HA SER A 37 -6.563 -0.125 11.836 1.00 0.00 H new ATOM 0 HB2 SER A 37 -7.255 -2.402 12.727 1.00 0.00 H new ATOM 0 HB3 SER A 37 -6.169 -3.141 11.566 1.00 0.00 H new ATOM 0 HG SER A 37 -4.582 -2.725 12.919 1.00 0.00 H new ATOM 625 N THR A 38 -4.721 0.243 10.197 1.00 0.00 N ATOM 626 CA THR A 38 -3.568 0.437 9.335 1.00 0.00 C ATOM 627 C THR A 38 -2.387 0.941 10.149 1.00 0.00 C ATOM 628 O THR A 38 -2.354 2.096 10.579 1.00 0.00 O ATOM 629 CB THR A 38 -3.907 1.434 8.215 1.00 0.00 C ATOM 630 OG1 THR A 38 -2.712 2.018 7.716 1.00 0.00 O ATOM 631 CG2 THR A 38 -4.830 2.533 8.754 1.00 0.00 C ATOM 0 H THR A 38 -5.024 1.077 10.699 1.00 0.00 H new ATOM 0 HA THR A 38 -3.300 -0.518 8.883 1.00 0.00 H new ATOM 0 HB THR A 38 -4.415 0.904 7.409 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.931 2.652 7.001 1.00 0.00 H new ATOM 0 HG21 THR A 38 -5.065 3.235 7.954 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.751 2.084 9.126 1.00 0.00 H new ATOM 0 HG23 THR A 38 -4.331 3.062 9.566 1.00 0.00 H new ATOM 639 N ASP A 39 -1.419 0.061 10.343 1.00 0.00 N ATOM 640 CA ASP A 39 -0.220 0.395 11.091 1.00 0.00 C ATOM 641 C ASP A 39 0.974 -0.321 10.470 1.00 0.00 C ATOM 642 O ASP A 39 0.936 -1.532 10.255 1.00 0.00 O ATOM 643 CB ASP A 39 -0.397 -0.006 12.557 1.00 0.00 C ATOM 644 CG ASP A 39 0.931 0.112 13.305 1.00 0.00 C ATOM 645 OD1 ASP A 39 1.270 1.215 13.699 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.587 -0.899 13.473 1.00 0.00 O ATOM 0 H ASP A 39 -1.441 -0.896 9.990 1.00 0.00 H new ATOM 0 HA ASP A 39 -0.043 1.470 11.051 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -1.145 0.632 13.028 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.767 -1.029 12.619 1.00 0.00 H new ATOM 651 N TYR A 40 2.018 0.438 10.163 1.00 0.00 N ATOM 652 CA TYR A 40 3.212 -0.124 9.540 1.00 0.00 C ATOM 653 C TYR A 40 3.694 -1.385 10.259 1.00 0.00 C ATOM 654 O TYR A 40 3.895 -2.420 9.629 1.00 0.00 O ATOM 655 CB TYR A 40 4.331 0.921 9.532 1.00 0.00 C ATOM 656 CG TYR A 40 5.489 0.417 8.699 1.00 0.00 C ATOM 657 CD1 TYR A 40 5.350 0.288 7.311 1.00 0.00 C ATOM 658 CD2 TYR A 40 6.701 0.078 9.315 1.00 0.00 C ATOM 659 CE1 TYR A 40 6.421 -0.180 6.540 1.00 0.00 C ATOM 660 CE2 TYR A 40 7.772 -0.389 8.544 1.00 0.00 C ATOM 661 CZ TYR A 40 7.632 -0.518 7.157 1.00 0.00 C ATOM 662 OH TYR A 40 8.688 -0.980 6.397 1.00 0.00 O ATOM 0 H TYR A 40 2.064 1.442 10.334 1.00 0.00 H new ATOM 0 HA TYR A 40 2.951 -0.402 8.519 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.960 1.862 9.126 1.00 0.00 H new ATOM 0 HB3 TYR A 40 4.663 1.121 10.551 1.00 0.00 H new ATOM 0 HD1 TYR A 40 4.416 0.550 6.835 1.00 0.00 H new ATOM 0 HD2 TYR A 40 6.809 0.177 10.385 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.313 -0.280 5.470 1.00 0.00 H new ATOM 0 HE2 TYR A 40 8.706 -0.650 9.019 1.00 0.00 H new ATOM 0 HH TYR A 40 8.346 -1.533 5.664 1.00 0.00 H new ATOM 672 N HIS A 41 3.900 -1.285 11.568 1.00 0.00 N ATOM 673 CA HIS A 41 4.391 -2.423 12.352 1.00 0.00 C ATOM 674 C HIS A 41 3.408 -3.596 12.351 1.00 0.00 C ATOM 675 O HIS A 41 3.792 -4.734 12.080 1.00 0.00 O ATOM 676 CB HIS A 41 4.650 -1.988 13.799 1.00 0.00 C ATOM 677 CG HIS A 41 5.157 -0.572 13.822 1.00 0.00 C ATOM 678 ND1 HIS A 41 4.442 0.458 14.410 1.00 0.00 N ATOM 679 CD2 HIS A 41 6.304 0.000 13.330 1.00 0.00 C ATOM 680 CE1 HIS A 41 5.158 1.587 14.258 1.00 0.00 C ATOM 681 NE2 HIS A 41 6.303 1.363 13.607 1.00 0.00 N ATOM 0 H HIS A 41 3.737 -0.436 12.109 1.00 0.00 H new ATOM 0 HA HIS A 41 5.316 -2.759 11.884 1.00 0.00 H new ATOM 0 HB2 HIS A 41 3.732 -2.065 14.381 1.00 0.00 H new ATOM 0 HB3 HIS A 41 5.379 -2.653 14.263 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.088 -0.528 12.807 1.00 0.00 H new ATOM 0 HE1 HIS A 41 4.845 2.556 14.618 1.00 0.00 H new ATOM 0 HE2 HIS A 41 7.022 2.045 13.365 1.00 0.00 H new ATOM 690 N GLU A 42 2.150 -3.317 12.678 1.00 0.00 N ATOM 691 CA GLU A 42 1.128 -4.361 12.739 1.00 0.00 C ATOM 692 C GLU A 42 0.958 -5.061 11.392 1.00 0.00 C ATOM 693 O GLU A 42 1.002 -6.290 11.313 1.00 0.00 O ATOM 694 CB GLU A 42 -0.207 -3.749 13.169 1.00 0.00 C ATOM 695 CG GLU A 42 -1.183 -4.859 13.567 1.00 0.00 C ATOM 696 CD GLU A 42 -2.586 -4.282 13.735 1.00 0.00 C ATOM 697 OE1 GLU A 42 -3.223 -4.023 12.728 1.00 0.00 O ATOM 698 OE2 GLU A 42 -3.001 -4.104 14.869 1.00 0.00 O ATOM 0 H GLU A 42 1.813 -2.381 12.904 1.00 0.00 H new ATOM 0 HA GLU A 42 1.451 -5.105 13.468 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -0.053 -3.070 14.008 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.626 -3.159 12.354 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -1.190 -5.639 12.806 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -0.858 -5.324 14.497 1.00 0.00 H new ATOM 705 N ILE A 43 0.757 -4.275 10.339 1.00 0.00 N ATOM 706 CA ILE A 43 0.572 -4.838 9.007 1.00 0.00 C ATOM 707 C ILE A 43 1.866 -5.481 8.503 1.00 0.00 C ATOM 708 O ILE A 43 1.826 -6.506 7.823 1.00 0.00 O ATOM 709 CB ILE A 43 0.079 -3.751 8.040 1.00 0.00 C ATOM 710 CG1 ILE A 43 -1.414 -3.498 8.307 1.00 0.00 C ATOM 711 CG2 ILE A 43 0.268 -4.215 6.590 1.00 0.00 C ATOM 712 CD1 ILE A 43 -1.871 -2.215 7.605 1.00 0.00 C ATOM 0 H ILE A 43 0.718 -3.257 10.381 1.00 0.00 H new ATOM 0 HA ILE A 43 -0.185 -5.621 9.059 1.00 0.00 H new ATOM 0 HB ILE A 43 0.650 -2.835 8.194 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.002 -4.344 7.952 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -1.590 -3.416 9.380 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.084 -3.439 5.911 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.325 -4.408 6.404 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.302 -5.129 6.423 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.930 -2.049 7.803 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -1.295 -1.370 7.981 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.714 -2.312 6.531 1.00 0.00 H new ATOM 724 N SER A 44 3.010 -4.892 8.850 1.00 0.00 N ATOM 725 CA SER A 44 4.296 -5.451 8.431 1.00 0.00 C ATOM 726 C SER A 44 4.388 -6.915 8.853 1.00 0.00 C ATOM 727 O SER A 44 4.702 -7.788 8.043 1.00 0.00 O ATOM 728 CB SER A 44 5.453 -4.665 9.052 1.00 0.00 C ATOM 729 OG SER A 44 5.749 -3.539 8.235 1.00 0.00 O ATOM 0 H SER A 44 3.074 -4.042 9.411 1.00 0.00 H new ATOM 0 HA SER A 44 4.366 -5.380 7.346 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.188 -4.339 10.058 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.332 -5.302 9.145 1.00 0.00 H new ATOM 0 HG SER A 44 5.341 -2.737 8.623 1.00 0.00 H new ATOM 735 N SER A 45 4.099 -7.170 10.129 1.00 0.00 N ATOM 736 CA SER A 45 4.136 -8.523 10.666 1.00 0.00 C ATOM 737 C SER A 45 3.083 -9.393 9.988 1.00 0.00 C ATOM 738 O SER A 45 3.282 -10.593 9.805 1.00 0.00 O ATOM 739 CB SER A 45 3.879 -8.484 12.172 1.00 0.00 C ATOM 740 OG SER A 45 4.650 -7.441 12.753 1.00 0.00 O ATOM 0 H SER A 45 3.837 -6.455 10.807 1.00 0.00 H new ATOM 0 HA SER A 45 5.120 -8.951 10.474 1.00 0.00 H new ATOM 0 HB2 SER A 45 2.819 -8.321 12.368 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.143 -9.441 12.622 1.00 0.00 H new ATOM 0 HG SER A 45 4.202 -6.582 12.605 1.00 0.00 H new ATOM 746 N TYR A 46 1.963 -8.773 9.614 1.00 0.00 N ATOM 747 CA TYR A 46 0.877 -9.493 8.952 1.00 0.00 C ATOM 748 C TYR A 46 1.379 -10.135 7.663 1.00 0.00 C ATOM 749 O TYR A 46 0.960 -11.234 7.300 1.00 0.00 O ATOM 750 CB TYR A 46 -0.270 -8.527 8.634 1.00 0.00 C ATOM 751 CG TYR A 46 -1.504 -9.304 8.235 1.00 0.00 C ATOM 752 CD1 TYR A 46 -2.200 -10.057 9.191 1.00 0.00 C ATOM 753 CD2 TYR A 46 -1.955 -9.269 6.910 1.00 0.00 C ATOM 754 CE1 TYR A 46 -3.345 -10.772 8.819 1.00 0.00 C ATOM 755 CE2 TYR A 46 -3.099 -9.985 6.539 1.00 0.00 C ATOM 756 CZ TYR A 46 -3.794 -10.736 7.493 1.00 0.00 C ATOM 757 OH TYR A 46 -4.921 -11.442 7.125 1.00 0.00 O ATOM 0 H TYR A 46 1.785 -7.779 9.758 1.00 0.00 H new ATOM 0 HA TYR A 46 0.516 -10.275 9.620 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -0.486 -7.907 9.504 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.023 -7.854 7.828 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -1.853 -10.086 10.213 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.419 -8.689 6.173 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -3.882 -11.352 9.555 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -3.445 -9.958 5.516 1.00 0.00 H new ATOM 0 HH TYR A 46 -5.094 -11.307 6.170 1.00 0.00 H new ATOM 767 N LEU A 47 2.286 -9.441 6.984 1.00 0.00 N ATOM 768 CA LEU A 47 2.856 -9.951 5.743 1.00 0.00 C ATOM 769 C LEU A 47 3.856 -11.061 6.049 1.00 0.00 C ATOM 770 O LEU A 47 3.793 -12.146 5.472 1.00 0.00 O ATOM 771 CB LEU A 47 3.553 -8.817 4.985 1.00 0.00 C ATOM 772 CG LEU A 47 2.553 -7.685 4.723 1.00 0.00 C ATOM 773 CD1 LEU A 47 3.307 -6.364 4.552 1.00 0.00 C ATOM 774 CD2 LEU A 47 1.759 -7.988 3.448 1.00 0.00 C ATOM 0 H LEU A 47 2.641 -8.528 7.270 1.00 0.00 H new ATOM 0 HA LEU A 47 2.055 -10.354 5.123 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.397 -8.443 5.564 1.00 0.00 H new ATOM 0 HB3 LEU A 47 3.953 -9.188 4.042 1.00 0.00 H new ATOM 0 HG LEU A 47 1.868 -7.605 5.567 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.595 -5.560 4.366 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.871 -6.147 5.459 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.993 -6.443 3.709 1.00 0.00 H new ATOM 0 HD21 LEU A 47 1.048 -7.183 3.262 1.00 0.00 H new ATOM 0 HD22 LEU A 47 2.444 -8.070 2.604 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.220 -8.927 3.570 1.00 0.00 H new ATOM 786 N GLU A 48 4.774 -10.776 6.971 1.00 0.00 N ATOM 787 CA GLU A 48 5.789 -11.749 7.369 1.00 0.00 C ATOM 788 C GLU A 48 5.142 -12.965 8.032 1.00 0.00 C ATOM 789 O GLU A 48 5.747 -14.034 8.116 1.00 0.00 O ATOM 790 CB GLU A 48 6.778 -11.097 8.337 1.00 0.00 C ATOM 791 CG GLU A 48 7.435 -9.893 7.658 1.00 0.00 C ATOM 792 CD GLU A 48 8.486 -9.279 8.579 1.00 0.00 C ATOM 793 OE1 GLU A 48 8.101 -8.711 9.588 1.00 0.00 O ATOM 794 OE2 GLU A 48 9.659 -9.386 8.262 1.00 0.00 O ATOM 0 H GLU A 48 4.836 -9.881 7.456 1.00 0.00 H new ATOM 0 HA GLU A 48 6.319 -12.082 6.477 1.00 0.00 H new ATOM 0 HB2 GLU A 48 6.262 -10.780 9.243 1.00 0.00 H new ATOM 0 HB3 GLU A 48 7.538 -11.818 8.638 1.00 0.00 H new ATOM 0 HG2 GLU A 48 7.898 -10.202 6.721 1.00 0.00 H new ATOM 0 HG3 GLU A 48 6.679 -9.148 7.410 1.00 0.00 H new ATOM 801 N LEU A 49 3.907 -12.787 8.496 1.00 0.00 N ATOM 802 CA LEU A 49 3.165 -13.865 9.149 1.00 0.00 C ATOM 803 C LEU A 49 2.860 -14.984 8.160 1.00 0.00 C ATOM 804 O LEU A 49 2.423 -16.068 8.549 1.00 0.00 O ATOM 805 CB LEU A 49 1.856 -13.326 9.731 1.00 0.00 C ATOM 806 CG LEU A 49 2.048 -12.997 11.215 1.00 0.00 C ATOM 807 CD1 LEU A 49 1.106 -11.858 11.609 1.00 0.00 C ATOM 808 CD2 LEU A 49 1.732 -14.236 12.059 1.00 0.00 C ATOM 0 H LEU A 49 3.398 -11.906 8.432 1.00 0.00 H new ATOM 0 HA LEU A 49 3.782 -14.265 9.954 1.00 0.00 H new ATOM 0 HB2 LEU A 49 1.545 -12.433 9.188 1.00 0.00 H new ATOM 0 HB3 LEU A 49 1.063 -14.064 9.612 1.00 0.00 H new ATOM 0 HG LEU A 49 3.080 -12.693 11.389 1.00 0.00 H new ATOM 0 HD11 LEU A 49 1.241 -11.623 12.665 1.00 0.00 H new ATOM 0 HD12 LEU A 49 1.330 -10.976 11.009 1.00 0.00 H new ATOM 0 HD13 LEU A 49 0.074 -12.162 11.435 1.00 0.00 H new ATOM 0 HD21 LEU A 49 1.869 -14.002 13.115 1.00 0.00 H new ATOM 0 HD22 LEU A 49 0.700 -14.541 11.886 1.00 0.00 H new ATOM 0 HD23 LEU A 49 2.402 -15.048 11.778 1.00 0.00 H new ATOM 820 N ASN A 50 3.080 -14.704 6.879 1.00 0.00 N ATOM 821 CA ASN A 50 2.812 -15.685 5.830 1.00 0.00 C ATOM 822 C ASN A 50 3.792 -15.524 4.670 1.00 0.00 C ATOM 823 O ASN A 50 3.931 -14.442 4.098 1.00 0.00 O ATOM 824 CB ASN A 50 1.382 -15.514 5.306 1.00 0.00 C ATOM 825 CG ASN A 50 0.395 -15.457 6.468 1.00 0.00 C ATOM 826 OD1 ASN A 50 0.044 -16.489 7.039 1.00 0.00 O ATOM 827 ND2 ASN A 50 -0.076 -14.302 6.854 1.00 0.00 N ATOM 0 H ASN A 50 3.441 -13.811 6.542 1.00 0.00 H new ATOM 0 HA ASN A 50 2.933 -16.680 6.259 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.311 -14.601 4.715 1.00 0.00 H new ATOM 0 HB3 ASN A 50 1.128 -16.343 4.645 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.736 -14.254 7.630 1.00 0.00 H new ATOM 0 HD22 ASN A 50 0.216 -13.448 6.379 1.00 0.00 H new ATOM 834 N ALA A 51 4.468 -16.624 4.342 1.00 0.00 N ATOM 835 CA ALA A 51 5.449 -16.647 3.256 1.00 0.00 C ATOM 836 C ALA A 51 4.873 -16.060 1.968 1.00 0.00 C ATOM 837 O ALA A 51 5.619 -15.637 1.083 1.00 0.00 O ATOM 838 CB ALA A 51 5.901 -18.087 3.002 1.00 0.00 C ATOM 0 H ALA A 51 4.353 -17.519 4.817 1.00 0.00 H new ATOM 0 HA ALA A 51 6.299 -16.035 3.558 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.631 -18.102 2.193 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.354 -18.491 3.907 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.040 -18.695 2.725 1.00 0.00 H new ATOM 844 N ASP A 52 3.548 -16.055 1.863 1.00 0.00 N ATOM 845 CA ASP A 52 2.881 -15.541 0.670 1.00 0.00 C ATOM 846 C ASP A 52 3.289 -14.096 0.386 1.00 0.00 C ATOM 847 O ASP A 52 3.507 -13.728 -0.766 1.00 0.00 O ATOM 848 CB ASP A 52 1.365 -15.610 0.857 1.00 0.00 C ATOM 849 CG ASP A 52 0.918 -17.064 0.960 1.00 0.00 C ATOM 850 OD1 ASP A 52 1.078 -17.640 2.024 1.00 0.00 O ATOM 851 OD2 ASP A 52 0.422 -17.582 -0.027 1.00 0.00 O ATOM 0 H ASP A 52 2.916 -16.399 2.586 1.00 0.00 H new ATOM 0 HA ASP A 52 3.182 -16.158 -0.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.076 -15.068 1.757 1.00 0.00 H new ATOM 0 HB3 ASP A 52 0.864 -15.126 0.019 1.00 0.00 H new ATOM 856 N TYR A 53 3.390 -13.284 1.436 1.00 0.00 N ATOM 857 CA TYR A 53 3.778 -11.883 1.272 1.00 0.00 C ATOM 858 C TYR A 53 5.280 -11.706 1.494 1.00 0.00 C ATOM 859 O TYR A 53 5.862 -10.698 1.092 1.00 0.00 O ATOM 860 CB TYR A 53 3.003 -11.008 2.258 1.00 0.00 C ATOM 861 CG TYR A 53 1.520 -11.186 2.029 1.00 0.00 C ATOM 862 CD1 TYR A 53 0.896 -10.556 0.943 1.00 0.00 C ATOM 863 CD2 TYR A 53 0.768 -11.985 2.900 1.00 0.00 C ATOM 864 CE1 TYR A 53 -0.476 -10.725 0.730 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.605 -12.154 2.685 1.00 0.00 C ATOM 866 CZ TYR A 53 -1.227 -11.524 1.600 1.00 0.00 C ATOM 867 OH TYR A 53 -2.579 -11.689 1.388 1.00 0.00 O ATOM 0 H TYR A 53 3.211 -13.567 2.400 1.00 0.00 H new ATOM 0 HA TYR A 53 3.540 -11.578 0.253 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.259 -11.280 3.282 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.279 -9.962 2.128 1.00 0.00 H new ATOM 0 HD1 TYR A 53 1.475 -9.940 0.271 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.247 -12.471 3.737 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -0.956 -10.239 -0.106 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.185 -12.770 3.356 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.079 -11.123 2.012 1.00 0.00 H new ATOM 877 N LEU A 54 5.895 -12.690 2.144 1.00 0.00 N ATOM 878 CA LEU A 54 7.328 -12.646 2.426 1.00 0.00 C ATOM 879 C LEU A 54 8.145 -12.426 1.151 1.00 0.00 C ATOM 880 O LEU A 54 9.172 -11.746 1.174 1.00 0.00 O ATOM 881 CB LEU A 54 7.759 -13.957 3.094 1.00 0.00 C ATOM 882 CG LEU A 54 9.252 -13.910 3.445 1.00 0.00 C ATOM 883 CD1 LEU A 54 9.511 -12.804 4.474 1.00 0.00 C ATOM 884 CD2 LEU A 54 9.675 -15.260 4.034 1.00 0.00 C ATOM 0 H LEU A 54 5.424 -13.528 2.486 1.00 0.00 H new ATOM 0 HA LEU A 54 7.516 -11.806 3.095 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.171 -14.123 3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.562 -14.795 2.426 1.00 0.00 H new ATOM 0 HG LEU A 54 9.828 -13.703 2.543 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.573 -12.776 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.209 -11.843 4.059 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.936 -13.006 5.378 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.735 -15.231 4.285 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.094 -15.462 4.934 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.497 -16.048 3.302 1.00 0.00 H new ATOM 896 N HIS A 55 7.698 -13.025 0.048 1.00 0.00 N ATOM 897 CA HIS A 55 8.415 -12.910 -1.223 1.00 0.00 C ATOM 898 C HIS A 55 8.153 -11.570 -1.917 1.00 0.00 C ATOM 899 O HIS A 55 8.606 -11.356 -3.042 1.00 0.00 O ATOM 900 CB HIS A 55 8.013 -14.065 -2.151 1.00 0.00 C ATOM 901 CG HIS A 55 6.644 -13.818 -2.732 1.00 0.00 C ATOM 902 ND1 HIS A 55 6.199 -14.469 -3.872 1.00 0.00 N ATOM 903 CD2 HIS A 55 5.614 -12.995 -2.346 1.00 0.00 C ATOM 904 CE1 HIS A 55 4.953 -14.030 -4.130 1.00 0.00 C ATOM 905 NE2 HIS A 55 4.549 -13.131 -3.231 1.00 0.00 N ATOM 0 H HIS A 55 6.850 -13.590 0.007 1.00 0.00 H new ATOM 0 HA HIS A 55 9.482 -12.961 -1.004 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.743 -14.166 -2.954 1.00 0.00 H new ATOM 0 HB3 HIS A 55 8.016 -15.004 -1.597 1.00 0.00 H new ATOM 0 HD2 HIS A 55 5.629 -12.342 -1.486 1.00 0.00 H new ATOM 0 HE1 HIS A 55 4.353 -14.365 -4.963 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.652 -12.647 -3.199 1.00 0.00 H new ATOM 914 N THR A 56 7.428 -10.673 -1.251 1.00 0.00 N ATOM 915 CA THR A 56 7.130 -9.366 -1.836 1.00 0.00 C ATOM 916 C THR A 56 7.114 -8.279 -0.764 1.00 0.00 C ATOM 917 O THR A 56 6.384 -7.292 -0.873 1.00 0.00 O ATOM 918 CB THR A 56 5.781 -9.409 -2.565 1.00 0.00 C ATOM 919 OG1 THR A 56 5.570 -8.180 -3.245 1.00 0.00 O ATOM 920 CG2 THR A 56 4.650 -9.640 -1.560 1.00 0.00 C ATOM 0 H THR A 56 7.041 -10.823 -0.319 1.00 0.00 H new ATOM 0 HA THR A 56 7.915 -9.126 -2.553 1.00 0.00 H new ATOM 0 HB THR A 56 5.790 -10.227 -3.285 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.709 -8.208 -3.712 1.00 0.00 H new ATOM 0 HG21 THR A 56 3.696 -9.669 -2.086 1.00 0.00 H new ATOM 0 HG22 THR A 56 4.809 -10.587 -1.045 1.00 0.00 H new ATOM 0 HG23 THR A 56 4.638 -8.828 -0.832 1.00 0.00 H new ATOM 928 N MET A 57 7.933 -8.460 0.265 1.00 0.00 N ATOM 929 CA MET A 57 8.016 -7.482 1.343 1.00 0.00 C ATOM 930 C MET A 57 8.483 -6.138 0.794 1.00 0.00 C ATOM 931 O MET A 57 8.004 -5.084 1.210 1.00 0.00 O ATOM 932 CB MET A 57 8.998 -7.968 2.415 1.00 0.00 C ATOM 933 CG MET A 57 8.271 -8.864 3.421 1.00 0.00 C ATOM 934 SD MET A 57 8.105 -7.989 5.000 1.00 0.00 S ATOM 935 CE MET A 57 6.830 -6.811 4.487 1.00 0.00 C ATOM 0 H MET A 57 8.545 -9.269 0.376 1.00 0.00 H new ATOM 0 HA MET A 57 7.028 -7.364 1.787 1.00 0.00 H new ATOM 0 HB2 MET A 57 9.815 -8.518 1.949 1.00 0.00 H new ATOM 0 HB3 MET A 57 9.441 -7.115 2.929 1.00 0.00 H new ATOM 0 HG2 MET A 57 7.287 -9.135 3.038 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.824 -9.792 3.564 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.362 -6.375 5.369 1.00 0.00 H new ATOM 0 HE2 MET A 57 7.284 -6.021 3.889 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.075 -7.327 3.894 1.00 0.00 H new ATOM 945 N ALA A 58 9.420 -6.195 -0.150 1.00 0.00 N ATOM 946 CA ALA A 58 9.962 -4.988 -0.769 1.00 0.00 C ATOM 947 C ALA A 58 8.860 -4.175 -1.442 1.00 0.00 C ATOM 948 O ALA A 58 8.951 -2.950 -1.535 1.00 0.00 O ATOM 949 CB ALA A 58 11.023 -5.365 -1.804 1.00 0.00 C ATOM 0 H ALA A 58 9.820 -7.065 -0.503 1.00 0.00 H new ATOM 0 HA ALA A 58 10.413 -4.379 0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 58 11.423 -4.460 -2.262 1.00 0.00 H new ATOM 0 HB2 ALA A 58 11.830 -5.911 -1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 58 10.574 -5.993 -2.574 1.00 0.00 H new ATOM 955 N THR A 59 7.821 -4.863 -1.912 1.00 0.00 N ATOM 956 CA THR A 59 6.712 -4.189 -2.579 1.00 0.00 C ATOM 957 C THR A 59 5.861 -3.426 -1.568 1.00 0.00 C ATOM 958 O THR A 59 5.500 -2.272 -1.800 1.00 0.00 O ATOM 959 CB THR A 59 5.843 -5.213 -3.314 1.00 0.00 C ATOM 960 OG1 THR A 59 6.631 -5.890 -4.284 1.00 0.00 O ATOM 961 CG2 THR A 59 4.679 -4.502 -4.007 1.00 0.00 C ATOM 0 H THR A 59 7.725 -5.876 -1.844 1.00 0.00 H new ATOM 0 HA THR A 59 7.123 -3.480 -3.298 1.00 0.00 H new ATOM 0 HB THR A 59 5.448 -5.932 -2.597 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.505 -6.857 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.064 -5.235 -4.529 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.074 -3.984 -3.263 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.069 -3.780 -4.724 1.00 0.00 H new ATOM 969 N PHE A 60 5.548 -4.072 -0.447 1.00 0.00 N ATOM 970 CA PHE A 60 4.742 -3.432 0.589 1.00 0.00 C ATOM 971 C PHE A 60 5.425 -2.158 1.072 1.00 0.00 C ATOM 972 O PHE A 60 4.808 -1.093 1.122 1.00 0.00 O ATOM 973 CB PHE A 60 4.542 -4.388 1.769 1.00 0.00 C ATOM 974 CG PHE A 60 3.928 -3.638 2.930 1.00 0.00 C ATOM 975 CD1 PHE A 60 2.633 -3.114 2.820 1.00 0.00 C ATOM 976 CD2 PHE A 60 4.655 -3.464 4.115 1.00 0.00 C ATOM 977 CE1 PHE A 60 2.067 -2.417 3.894 1.00 0.00 C ATOM 978 CE2 PHE A 60 4.087 -2.768 5.188 1.00 0.00 C ATOM 979 CZ PHE A 60 2.794 -2.244 5.078 1.00 0.00 C ATOM 0 H PHE A 60 5.836 -5.027 -0.234 1.00 0.00 H new ATOM 0 HA PHE A 60 3.770 -3.179 0.166 1.00 0.00 H new ATOM 0 HB2 PHE A 60 3.896 -5.215 1.475 1.00 0.00 H new ATOM 0 HB3 PHE A 60 5.498 -4.820 2.066 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.072 -3.248 1.907 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.653 -3.867 4.200 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.069 -2.013 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.647 -2.635 6.102 1.00 0.00 H new ATOM 0 HZ PHE A 60 2.357 -1.706 5.906 1.00 0.00 H new ATOM 989 N ASP A 61 6.706 -2.276 1.416 1.00 0.00 N ATOM 990 CA ASP A 61 7.473 -1.130 1.882 1.00 0.00 C ATOM 991 C ASP A 61 7.395 0.003 0.864 1.00 0.00 C ATOM 992 O ASP A 61 7.218 1.167 1.226 1.00 0.00 O ATOM 993 CB ASP A 61 8.932 -1.536 2.098 1.00 0.00 C ATOM 994 CG ASP A 61 9.010 -2.754 3.018 1.00 0.00 C ATOM 995 OD1 ASP A 61 8.372 -2.731 4.059 1.00 0.00 O ATOM 996 OD2 ASP A 61 9.709 -3.691 2.669 1.00 0.00 O ATOM 0 H ASP A 61 7.230 -3.151 1.380 1.00 0.00 H new ATOM 0 HA ASP A 61 7.054 -0.784 2.827 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.399 -1.764 1.140 1.00 0.00 H new ATOM 0 HB3 ASP A 61 9.488 -0.706 2.534 1.00 0.00 H new ATOM 1001 N GLU A 62 7.521 -0.352 -0.413 1.00 0.00 N ATOM 1002 CA GLU A 62 7.457 0.634 -1.485 1.00 0.00 C ATOM 1003 C GLU A 62 6.059 1.240 -1.565 1.00 0.00 C ATOM 1004 O GLU A 62 5.907 2.450 -1.740 1.00 0.00 O ATOM 1005 CB GLU A 62 7.814 -0.021 -2.823 1.00 0.00 C ATOM 1006 CG GLU A 62 8.113 1.060 -3.868 1.00 0.00 C ATOM 1007 CD GLU A 62 9.393 1.808 -3.500 1.00 0.00 C ATOM 1008 OE1 GLU A 62 10.461 1.258 -3.714 1.00 0.00 O ATOM 1009 OE2 GLU A 62 9.286 2.921 -3.008 1.00 0.00 O ATOM 0 H GLU A 62 7.667 -1.311 -0.728 1.00 0.00 H new ATOM 0 HA GLU A 62 8.174 1.427 -1.271 1.00 0.00 H new ATOM 0 HB2 GLU A 62 8.681 -0.671 -2.700 1.00 0.00 H new ATOM 0 HB3 GLU A 62 6.990 -0.649 -3.162 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.219 0.605 -4.853 1.00 0.00 H new ATOM 0 HG3 GLU A 62 7.279 1.759 -3.928 1.00 0.00 H new ATOM 1016 N ALA A 63 5.043 0.391 -1.425 1.00 0.00 N ATOM 1017 CA ALA A 63 3.660 0.853 -1.475 1.00 0.00 C ATOM 1018 C ALA A 63 3.409 1.861 -0.359 1.00 0.00 C ATOM 1019 O ALA A 63 2.838 2.927 -0.588 1.00 0.00 O ATOM 1020 CB ALA A 63 2.707 -0.335 -1.323 1.00 0.00 C ATOM 0 H ALA A 63 5.151 -0.612 -1.277 1.00 0.00 H new ATOM 0 HA ALA A 63 3.481 1.333 -2.437 1.00 0.00 H new ATOM 0 HB1 ALA A 63 1.676 0.018 -1.361 1.00 0.00 H new ATOM 0 HB2 ALA A 63 2.878 -1.044 -2.133 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.887 -0.826 -0.367 1.00 0.00 H new ATOM 1026 N TRP A 64 3.856 1.517 0.847 1.00 0.00 N ATOM 1027 CA TRP A 64 3.697 2.399 1.997 1.00 0.00 C ATOM 1028 C TRP A 64 4.298 3.769 1.697 1.00 0.00 C ATOM 1029 O TRP A 64 3.662 4.799 1.923 1.00 0.00 O ATOM 1030 CB TRP A 64 4.384 1.789 3.222 1.00 0.00 C ATOM 1031 CG TRP A 64 3.876 2.454 4.462 1.00 0.00 C ATOM 1032 CD1 TRP A 64 4.461 3.509 5.074 1.00 0.00 C ATOM 1033 CD2 TRP A 64 2.693 2.129 5.247 1.00 0.00 C ATOM 1034 NE1 TRP A 64 3.713 3.851 6.186 1.00 0.00 N ATOM 1035 CE2 TRP A 64 2.613 3.029 6.335 1.00 0.00 C ATOM 1036 CE3 TRP A 64 1.692 1.148 5.122 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 1.577 2.959 7.267 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 0.647 1.076 6.058 1.00 0.00 C ATOM 1039 CH2 TRP A 64 0.590 1.979 7.128 1.00 0.00 C ATOM 0 H TRP A 64 4.329 0.637 1.051 1.00 0.00 H new ATOM 0 HA TRP A 64 2.633 2.517 2.204 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.189 0.717 3.265 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.464 1.914 3.146 1.00 0.00 H new ATOM 0 HD1 TRP A 64 5.364 4.003 4.748 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.945 4.617 6.819 1.00 0.00 H new ATOM 0 HE3 TRP A 64 1.727 0.446 4.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 1.538 3.657 8.090 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.117 0.320 5.952 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -0.216 1.918 7.845 1.00 0.00 H new ATOM 1050 N ASP A 65 5.527 3.767 1.178 1.00 0.00 N ATOM 1051 CA ASP A 65 6.211 5.012 0.838 1.00 0.00 C ATOM 1052 C ASP A 65 5.324 5.872 -0.057 1.00 0.00 C ATOM 1053 O ASP A 65 5.274 7.093 0.090 1.00 0.00 O ATOM 1054 CB ASP A 65 7.531 4.709 0.122 1.00 0.00 C ATOM 1055 CG ASP A 65 8.149 6.001 -0.406 1.00 0.00 C ATOM 1056 OD1 ASP A 65 8.553 6.817 0.406 1.00 0.00 O ATOM 1057 OD2 ASP A 65 8.204 6.157 -1.613 1.00 0.00 O ATOM 0 H ASP A 65 6.065 2.922 0.986 1.00 0.00 H new ATOM 0 HA ASP A 65 6.422 5.557 1.758 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.222 4.220 0.808 1.00 0.00 H new ATOM 0 HB3 ASP A 65 7.357 4.017 -0.702 1.00 0.00 H new ATOM 1062 N GLN A 66 4.619 5.222 -0.977 1.00 0.00 N ATOM 1063 CA GLN A 66 3.725 5.932 -1.882 1.00 0.00 C ATOM 1064 C GLN A 66 2.484 6.399 -1.127 1.00 0.00 C ATOM 1065 O GLN A 66 2.031 7.530 -1.299 1.00 0.00 O ATOM 1066 CB GLN A 66 3.312 5.021 -3.044 1.00 0.00 C ATOM 1067 CG GLN A 66 4.560 4.534 -3.790 1.00 0.00 C ATOM 1068 CD GLN A 66 4.941 5.528 -4.884 1.00 0.00 C ATOM 1069 OE1 GLN A 66 5.008 6.733 -4.636 1.00 0.00 O ATOM 1070 NE2 GLN A 66 5.199 5.092 -6.086 1.00 0.00 N ATOM 0 H GLN A 66 4.649 4.212 -1.115 1.00 0.00 H new ATOM 0 HA GLN A 66 4.250 6.799 -2.283 1.00 0.00 H new ATOM 0 HB2 GLN A 66 2.747 4.169 -2.667 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.656 5.561 -3.727 1.00 0.00 H new ATOM 0 HG2 GLN A 66 5.388 4.416 -3.091 1.00 0.00 H new ATOM 0 HG3 GLN A 66 4.371 3.554 -4.228 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.143 4.094 -6.289 1.00 0.00 H new ATOM 0 HE22 GLN A 66 5.457 5.749 -6.822 1.00 0.00 H new ATOM 1079 N TYR A 67 1.940 5.515 -0.290 1.00 0.00 N ATOM 1080 CA TYR A 67 0.749 5.840 0.492 1.00 0.00 C ATOM 1081 C TYR A 67 0.979 7.095 1.333 1.00 0.00 C ATOM 1082 O TYR A 67 0.263 8.086 1.186 1.00 0.00 O ATOM 1083 CB TYR A 67 0.390 4.661 1.406 1.00 0.00 C ATOM 1084 CG TYR A 67 -0.801 5.021 2.266 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -2.101 4.801 1.793 1.00 0.00 C ATOM 1086 CD2 TYR A 67 -0.605 5.576 3.537 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -3.202 5.135 2.588 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -1.707 5.911 4.332 1.00 0.00 C ATOM 1089 CZ TYR A 67 -3.006 5.690 3.858 1.00 0.00 C ATOM 1090 OH TYR A 67 -4.092 6.020 4.642 1.00 0.00 O ATOM 0 H TYR A 67 2.303 4.574 -0.137 1.00 0.00 H new ATOM 0 HA TYR A 67 -0.075 6.031 -0.196 1.00 0.00 H new ATOM 0 HB2 TYR A 67 0.163 3.780 0.806 1.00 0.00 H new ATOM 0 HB3 TYR A 67 1.242 4.406 2.037 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -2.253 4.373 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 67 0.397 5.745 3.904 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -4.204 4.965 2.222 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -1.555 6.340 5.311 1.00 0.00 H new ATOM 0 HH TYR A 67 -4.470 5.206 5.037 1.00 0.00 H new ATOM 1100 N GLU A 68 1.984 7.049 2.208 1.00 0.00 N ATOM 1101 CA GLU A 68 2.295 8.195 3.060 1.00 0.00 C ATOM 1102 C GLU A 68 2.593 9.428 2.209 1.00 0.00 C ATOM 1103 O GLU A 68 2.219 10.536 2.555 1.00 0.00 O ATOM 1104 CB GLU A 68 3.486 7.877 3.976 1.00 0.00 C ATOM 1105 CG GLU A 68 4.739 7.579 3.140 1.00 0.00 C ATOM 1106 CD GLU A 68 5.563 8.852 2.934 1.00 0.00 C ATOM 1107 OE1 GLU A 68 5.754 9.579 3.895 1.00 0.00 O ATOM 1108 OE2 GLU A 68 5.997 9.077 1.817 1.00 0.00 O ATOM 0 H GLU A 68 2.590 6.240 2.344 1.00 0.00 H new ATOM 0 HA GLU A 68 1.426 8.406 3.683 1.00 0.00 H new ATOM 0 HB2 GLU A 68 3.677 8.719 4.641 1.00 0.00 H new ATOM 0 HB3 GLU A 68 3.249 7.020 4.607 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.345 6.824 3.640 1.00 0.00 H new ATOM 0 HG3 GLU A 68 4.449 7.167 2.174 1.00 0.00 H new ATOM 1115 N SER A 69 3.266 9.225 1.092 1.00 0.00 N ATOM 1116 CA SER A 69 3.601 10.334 0.205 1.00 0.00 C ATOM 1117 C SER A 69 2.337 11.067 -0.256 1.00 0.00 C ATOM 1118 O SER A 69 2.361 12.280 -0.461 1.00 0.00 O ATOM 1119 CB SER A 69 4.370 9.819 -1.014 1.00 0.00 C ATOM 1120 OG SER A 69 4.509 10.869 -1.963 1.00 0.00 O ATOM 0 H SER A 69 3.591 8.312 0.775 1.00 0.00 H new ATOM 0 HA SER A 69 4.226 11.034 0.759 1.00 0.00 H new ATOM 0 HB2 SER A 69 5.352 9.455 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 69 3.842 8.977 -1.462 1.00 0.00 H new ATOM 0 HG SER A 69 5.003 10.541 -2.744 1.00 0.00 H new ATOM 1126 N GLU A 70 1.240 10.328 -0.426 1.00 0.00 N ATOM 1127 CA GLU A 70 -0.017 10.934 -0.875 1.00 0.00 C ATOM 1128 C GLU A 70 -0.799 11.531 0.296 1.00 0.00 C ATOM 1129 O GLU A 70 -1.513 12.522 0.133 1.00 0.00 O ATOM 1130 CB GLU A 70 -0.886 9.875 -1.565 1.00 0.00 C ATOM 1131 CG GLU A 70 -0.045 9.083 -2.572 1.00 0.00 C ATOM 1132 CD GLU A 70 -0.490 9.401 -3.996 1.00 0.00 C ATOM 1133 OE1 GLU A 70 -1.376 8.721 -4.486 1.00 0.00 O ATOM 1134 OE2 GLU A 70 0.064 10.320 -4.577 1.00 0.00 O ATOM 0 H GLU A 70 1.194 9.322 -0.263 1.00 0.00 H new ATOM 0 HA GLU A 70 0.230 11.734 -1.573 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -1.310 9.200 -0.822 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -1.722 10.354 -2.074 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.010 9.329 -2.449 1.00 0.00 H new ATOM 0 HG3 GLU A 70 -0.147 8.015 -2.381 1.00 0.00 H new ATOM 1141 N VAL A 71 -0.658 10.924 1.470 1.00 0.00 N ATOM 1142 CA VAL A 71 -1.352 11.398 2.668 1.00 0.00 C ATOM 1143 C VAL A 71 -0.426 12.271 3.508 1.00 0.00 C ATOM 1144 O VAL A 71 -0.746 13.415 3.832 1.00 0.00 O ATOM 1145 CB VAL A 71 -1.834 10.203 3.499 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -2.861 10.675 4.532 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -2.481 9.165 2.574 1.00 0.00 C ATOM 0 H VAL A 71 -0.071 10.104 1.620 1.00 0.00 H new ATOM 0 HA VAL A 71 -2.212 11.993 2.361 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.984 9.754 4.013 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -3.202 9.824 5.121 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.402 11.412 5.191 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -3.711 11.126 4.020 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -2.824 8.315 3.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -3.330 9.615 2.059 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -1.750 8.826 1.840 1.00 0.00 H new ATOM 1157 N HIS A 72 0.723 11.706 3.849 1.00 0.00 N ATOM 1158 CA HIS A 72 1.728 12.394 4.651 1.00 0.00 C ATOM 1159 C HIS A 72 2.394 13.511 3.849 1.00 0.00 C ATOM 1160 O HIS A 72 3.200 14.273 4.385 1.00 0.00 O ATOM 1161 CB HIS A 72 2.796 11.383 5.085 1.00 0.00 C ATOM 1162 CG HIS A 72 3.368 11.791 6.416 1.00 0.00 C ATOM 1163 ND1 HIS A 72 2.630 11.728 7.587 1.00 0.00 N ATOM 1164 CD2 HIS A 72 4.602 12.273 6.776 1.00 0.00 C ATOM 1165 CE1 HIS A 72 3.418 12.162 8.587 1.00 0.00 C ATOM 1166 NE2 HIS A 72 4.631 12.507 8.148 1.00 0.00 N ATOM 0 H HIS A 72 0.986 10.758 3.578 1.00 0.00 H new ATOM 0 HA HIS A 72 1.241 12.834 5.521 1.00 0.00 H new ATOM 0 HB2 HIS A 72 2.360 10.386 5.155 1.00 0.00 H new ATOM 0 HB3 HIS A 72 3.588 11.332 4.338 1.00 0.00 H new ATOM 0 HD2 HIS A 72 5.425 12.445 6.098 1.00 0.00 H new ATOM 0 HE1 HIS A 72 3.107 12.224 9.620 1.00 0.00 H new ATOM 0 HE2 HIS A 72 5.411 12.865 8.699 1.00 0.00 H new ATOM 1175 N GLY A 73 2.047 13.605 2.567 1.00 0.00 N ATOM 1176 CA GLY A 73 2.610 14.636 1.701 1.00 0.00 C ATOM 1177 C GLY A 73 1.630 15.785 1.535 1.00 0.00 C ATOM 1178 O GLY A 73 1.987 16.950 1.717 1.00 0.00 O ATOM 0 H GLY A 73 1.382 12.983 2.108 1.00 0.00 H new ATOM 0 HA2 GLY A 73 3.544 15.005 2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 73 2.849 14.210 0.726 1.00 0.00 H new ATOM 1182 N ARG A 74 0.386 15.442 1.207 1.00 0.00 N ATOM 1183 CA ARG A 74 -0.660 16.434 1.034 1.00 0.00 C ATOM 1184 C ARG A 74 -0.176 17.600 0.167 1.00 0.00 C ATOM 1185 O ARG A 74 0.716 17.434 -0.667 1.00 0.00 O ATOM 1186 CB ARG A 74 -1.081 16.933 2.412 1.00 0.00 C ATOM 1187 CG ARG A 74 -2.574 17.258 2.412 1.00 0.00 C ATOM 1188 CD ARG A 74 -2.953 17.939 3.730 1.00 0.00 C ATOM 1189 NE ARG A 74 -2.683 19.373 3.659 1.00 0.00 N ATOM 1190 CZ ARG A 74 -3.572 20.223 3.148 1.00 0.00 C ATOM 1191 NH1 ARG A 74 -4.708 19.783 2.679 1.00 0.00 N ATOM 1192 NH2 ARG A 74 -3.306 21.500 3.114 1.00 0.00 N ATOM 0 H ARG A 74 0.082 14.480 1.056 1.00 0.00 H new ATOM 0 HA ARG A 74 -1.510 15.981 0.524 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -0.865 16.175 3.165 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -0.507 17.820 2.679 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -2.814 17.910 1.572 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -3.155 16.345 2.283 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -4.009 17.772 3.943 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -2.388 17.496 4.551 1.00 0.00 H new ATOM 0 HE ARG A 74 -1.794 19.731 4.008 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -4.917 18.785 2.703 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -5.386 20.437 2.289 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -2.418 21.846 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -3.986 22.152 2.723 1.00 0.00 H new ATOM 1206 N LEU A 75 -0.769 18.775 0.370 1.00 0.00 N ATOM 1207 CA LEU A 75 -0.391 19.960 -0.396 1.00 0.00 C ATOM 1208 C LEU A 75 0.756 20.696 0.295 1.00 0.00 C ATOM 1209 O LEU A 75 0.894 21.914 0.173 1.00 0.00 O ATOM 1210 CB LEU A 75 -1.601 20.894 -0.543 1.00 0.00 C ATOM 1211 CG LEU A 75 -2.424 20.506 -1.779 1.00 0.00 C ATOM 1212 CD1 LEU A 75 -1.583 20.696 -3.046 1.00 0.00 C ATOM 1213 CD2 LEU A 75 -2.864 19.041 -1.673 1.00 0.00 C ATOM 0 H LEU A 75 -1.509 18.931 1.054 1.00 0.00 H new ATOM 0 HA LEU A 75 -0.058 19.647 -1.386 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -2.224 20.837 0.350 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -1.264 21.927 -0.631 1.00 0.00 H new ATOM 0 HG LEU A 75 -3.305 21.145 -1.832 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -2.173 20.419 -3.919 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -1.281 21.740 -3.129 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.696 20.065 -2.992 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.448 18.772 -2.553 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -1.984 18.400 -1.611 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.473 18.908 -0.779 1.00 0.00 H new ATOM 1225 N GLU A 76 1.576 19.939 1.017 1.00 0.00 N ATOM 1226 CA GLU A 76 2.715 20.512 1.728 1.00 0.00 C ATOM 1227 C GLU A 76 3.975 20.434 0.870 1.00 0.00 C ATOM 1228 O GLU A 76 5.060 20.127 1.368 1.00 0.00 O ATOM 1229 CB GLU A 76 2.939 19.763 3.047 1.00 0.00 C ATOM 1230 CG GLU A 76 1.639 19.744 3.861 1.00 0.00 C ATOM 1231 CD GLU A 76 1.620 20.908 4.848 1.00 0.00 C ATOM 1232 OE1 GLU A 76 1.431 22.030 4.408 1.00 0.00 O ATOM 1233 OE2 GLU A 76 1.794 20.661 6.030 1.00 0.00 O ATOM 0 H GLU A 76 1.474 18.930 1.126 1.00 0.00 H new ATOM 0 HA GLU A 76 2.500 21.559 1.940 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.268 18.743 2.846 1.00 0.00 H new ATOM 0 HB3 GLU A 76 3.731 20.246 3.620 1.00 0.00 H new ATOM 0 HG2 GLU A 76 0.781 19.811 3.192 1.00 0.00 H new ATOM 0 HG3 GLU A 76 1.551 18.800 4.399 1.00 0.00 H new ATOM 1240 N HIS A 77 3.826 20.717 -0.424 1.00 0.00 N ATOM 1241 CA HIS A 77 4.962 20.678 -1.342 1.00 0.00 C ATOM 1242 C HIS A 77 6.073 21.604 -0.853 1.00 0.00 C ATOM 1243 O HIS A 77 5.812 22.730 -0.427 1.00 0.00 O ATOM 1244 CB HIS A 77 4.521 21.096 -2.750 1.00 0.00 C ATOM 1245 CG HIS A 77 3.734 22.379 -2.678 1.00 0.00 C ATOM 1246 ND1 HIS A 77 2.368 22.394 -2.442 1.00 0.00 N ATOM 1247 CD2 HIS A 77 4.106 23.695 -2.805 1.00 0.00 C ATOM 1248 CE1 HIS A 77 1.972 23.680 -2.435 1.00 0.00 C ATOM 1249 NE2 HIS A 77 2.992 24.514 -2.651 1.00 0.00 N ATOM 0 H HIS A 77 2.938 20.973 -0.856 1.00 0.00 H new ATOM 0 HA HIS A 77 5.342 19.657 -1.376 1.00 0.00 H new ATOM 0 HB2 HIS A 77 5.393 21.229 -3.390 1.00 0.00 H new ATOM 0 HB3 HIS A 77 3.913 20.310 -3.199 1.00 0.00 H new ATOM 0 HD2 HIS A 77 5.111 24.042 -2.996 1.00 0.00 H new ATOM 0 HE1 HIS A 77 0.953 23.999 -2.274 1.00 0.00 H new ATOM 0 HE2 HIS A 77 2.961 25.533 -2.694 1.00 0.00 H new ATOM 1258 N HIS A 78 7.311 21.118 -0.911 1.00 0.00 N ATOM 1259 CA HIS A 78 8.456 21.905 -0.464 1.00 0.00 C ATOM 1260 C HIS A 78 9.646 21.697 -1.396 1.00 0.00 C ATOM 1261 O HIS A 78 10.129 22.643 -2.019 1.00 0.00 O ATOM 1262 CB HIS A 78 8.838 21.501 0.963 1.00 0.00 C ATOM 1263 CG HIS A 78 9.798 22.507 1.534 1.00 0.00 C ATOM 1264 ND1 HIS A 78 11.101 22.176 1.871 1.00 0.00 N ATOM 1265 CD2 HIS A 78 9.660 23.839 1.835 1.00 0.00 C ATOM 1266 CE1 HIS A 78 11.690 23.286 2.352 1.00 0.00 C ATOM 1267 NE2 HIS A 78 10.856 24.329 2.352 1.00 0.00 N ATOM 0 H HIS A 78 7.545 20.189 -1.261 1.00 0.00 H new ATOM 0 HA HIS A 78 8.181 22.960 -0.480 1.00 0.00 H new ATOM 0 HB2 HIS A 78 7.945 21.441 1.586 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.292 20.510 0.962 1.00 0.00 H new ATOM 0 HD2 HIS A 78 8.760 24.419 1.692 1.00 0.00 H new ATOM 0 HE1 HIS A 78 12.713 23.328 2.696 1.00 0.00 H new ATOM 0 HE2 HIS A 78 11.053 25.280 2.664 1.00 0.00 H new ATOM 1276 N HIS A 79 10.112 20.454 -1.486 1.00 0.00 N ATOM 1277 CA HIS A 79 11.246 20.130 -2.347 1.00 0.00 C ATOM 1278 C HIS A 79 10.975 20.575 -3.782 1.00 0.00 C ATOM 1279 O HIS A 79 11.857 21.114 -4.451 1.00 0.00 O ATOM 1280 CB HIS A 79 11.519 18.621 -2.311 1.00 0.00 C ATOM 1281 CG HIS A 79 10.325 17.870 -2.841 1.00 0.00 C ATOM 1282 ND1 HIS A 79 9.032 18.141 -2.420 1.00 0.00 N ATOM 1283 CD2 HIS A 79 10.215 16.857 -3.760 1.00 0.00 C ATOM 1284 CE1 HIS A 79 8.208 17.308 -3.080 1.00 0.00 C ATOM 1285 NE2 HIS A 79 8.878 16.504 -3.910 1.00 0.00 N ATOM 0 H HIS A 79 9.725 19.659 -0.977 1.00 0.00 H new ATOM 0 HA HIS A 79 12.123 20.662 -1.978 1.00 0.00 H new ATOM 0 HB2 HIS A 79 12.400 18.388 -2.908 1.00 0.00 H new ATOM 0 HB3 HIS A 79 11.734 18.306 -1.290 1.00 0.00 H new ATOM 0 HD2 HIS A 79 11.041 16.403 -4.287 1.00 0.00 H new ATOM 0 HE1 HIS A 79 7.135 17.291 -2.954 1.00 0.00 H new ATOM 0 HE2 HIS A 79 8.492 15.785 -4.522 1.00 0.00 H new ATOM 1294 N HIS A 80 9.746 20.349 -4.243 1.00 0.00 N ATOM 1295 CA HIS A 80 9.359 20.732 -5.597 1.00 0.00 C ATOM 1296 C HIS A 80 8.623 22.069 -5.575 1.00 0.00 C ATOM 1297 O HIS A 80 7.442 22.135 -5.231 1.00 0.00 O ATOM 1298 CB HIS A 80 8.460 19.650 -6.209 1.00 0.00 C ATOM 1299 CG HIS A 80 8.598 19.658 -7.709 1.00 0.00 C ATOM 1300 ND1 HIS A 80 9.800 19.940 -8.341 1.00 0.00 N ATOM 1301 CD2 HIS A 80 7.694 19.419 -8.715 1.00 0.00 C ATOM 1302 CE1 HIS A 80 9.589 19.864 -9.668 1.00 0.00 C ATOM 1303 NE2 HIS A 80 8.322 19.550 -9.950 1.00 0.00 N ATOM 0 H HIS A 80 9.005 19.905 -3.701 1.00 0.00 H new ATOM 0 HA HIS A 80 10.258 20.835 -6.205 1.00 0.00 H new ATOM 0 HB2 HIS A 80 8.734 18.671 -5.815 1.00 0.00 H new ATOM 0 HB3 HIS A 80 7.421 19.827 -5.930 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.654 19.168 -8.570 1.00 0.00 H new ATOM 0 HE1 HIS A 80 10.351 20.036 -10.414 1.00 0.00 H new ATOM 0 HE2 HIS A 80 7.904 19.432 -10.873 1.00 0.00 H new ATOM 1312 N HIS A 81 9.336 23.134 -5.934 1.00 0.00 N ATOM 1313 CA HIS A 81 8.751 24.472 -5.946 1.00 0.00 C ATOM 1314 C HIS A 81 7.958 24.702 -7.232 1.00 0.00 C ATOM 1315 O HIS A 81 8.112 25.729 -7.895 1.00 0.00 O ATOM 1316 CB HIS A 81 9.858 25.524 -5.821 1.00 0.00 C ATOM 1317 CG HIS A 81 10.762 25.168 -4.671 1.00 0.00 C ATOM 1318 ND1 HIS A 81 10.526 25.614 -3.380 1.00 0.00 N ATOM 1319 CD2 HIS A 81 11.902 24.407 -4.603 1.00 0.00 C ATOM 1320 CE1 HIS A 81 11.503 25.122 -2.597 1.00 0.00 C ATOM 1321 NE2 HIS A 81 12.368 24.379 -3.291 1.00 0.00 N ATOM 0 H HIS A 81 10.315 23.097 -6.219 1.00 0.00 H new ATOM 0 HA HIS A 81 8.070 24.561 -5.099 1.00 0.00 H new ATOM 0 HB2 HIS A 81 10.432 25.575 -6.746 1.00 0.00 H new ATOM 0 HB3 HIS A 81 9.421 26.510 -5.662 1.00 0.00 H new ATOM 0 HD2 HIS A 81 12.367 23.906 -5.439 1.00 0.00 H new ATOM 0 HE1 HIS A 81 11.578 25.306 -1.535 1.00 0.00 H new ATOM 0 HE2 HIS A 81 13.193 23.895 -2.937 1.00 0.00 H new ATOM 1330 N HIS A 82 7.107 23.737 -7.573 1.00 0.00 N ATOM 1331 CA HIS A 82 6.287 23.834 -8.777 1.00 0.00 C ATOM 1332 C HIS A 82 4.807 23.717 -8.425 1.00 0.00 C ATOM 1333 O HIS A 82 4.016 24.420 -9.032 1.00 0.00 O ATOM 1334 CB HIS A 82 6.670 22.725 -9.761 1.00 0.00 C ATOM 1335 CG HIS A 82 8.086 22.930 -10.229 1.00 0.00 C ATOM 1336 ND1 HIS A 82 8.400 23.143 -11.562 1.00 0.00 N ATOM 1337 CD2 HIS A 82 9.281 22.958 -9.553 1.00 0.00 C ATOM 1338 CE1 HIS A 82 9.735 23.289 -11.646 1.00 0.00 C ATOM 1339 NE2 HIS A 82 10.321 23.185 -10.450 1.00 0.00 N ATOM 1340 OXT HIS A 82 4.485 22.926 -7.552 1.00 0.00 O ATOM 0 H HIS A 82 6.968 22.882 -7.034 1.00 0.00 H new ATOM 0 HA HIS A 82 6.464 24.805 -9.239 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.572 21.751 -9.282 1.00 0.00 H new ATOM 0 HB3 HIS A 82 5.990 22.731 -10.613 1.00 0.00 H new ATOM 0 HD2 HIS A 82 9.396 22.824 -8.488 1.00 0.00 H new ATOM 0 HE1 HIS A 82 10.268 23.468 -12.568 1.00 0.00 H new ATOM 0 HE2 HIS A 82 11.316 23.257 -10.239 1.00 0.00 H new TER 1349 HIS A 82