USER MOD reduce.3.24.130724 H: found=0, std=0, add=561, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 561 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 7 TYR OH : rot -15:sc= 0.65 USER MOD Set 1.2: A 11 TYR OH : rot 24:sc= 0.252 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -167:sc= 0.896 (180deg=0.737) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 HIS : no HD1:sc= -1.87 X(o=-1.9,f=-1.8!) USER MOD Single : A 10 LYS NZ :NH3+ -163:sc= -0.0303 (180deg=-0.306) USER MOD Single : A 13 HIS : no HD1:sc= -1.47 K(o=-1.5,f=-3.6!) USER MOD Single : A 15 LYS NZ :NH3+ 154:sc= -0.0828 (180deg=-0.73) USER MOD Single : A 17 LYS NZ :NH3+ 179:sc= -0.041 (180deg=-0.0518) USER MOD Single : A 19 SER OG : rot 180:sc= 0.0646 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00717 USER MOD Single : A 25 ASN : amide:sc= -6.01! C(o=-6!,f=-12!) USER MOD Single : A 26 GLN : amide:sc= -0.15 K(o=-0.15,f=-2.1!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 HIS : no HD1:sc= -0.122 X(o=-0.12,f=-0.53) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -158:sc= -0.322 (180deg=-1.58!) USER MOD Single : A 36 THR OG1 : rot -56:sc= 1.17 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 HIS : no HD1:sc= -0.0632 X(o=-0.063,f=-0.49) USER MOD Single : A 44 SER OG : rot -33:sc= 0.748 USER MOD Single : A 45 SER OG : rot 81:sc= 0.44 USER MOD Single : A 46 TYR OH : rot 180:sc= -0.583 USER MOD Single : A 50 ASN : amide:sc= 0.00355 K(o=0.0035,f=-4.3!) USER MOD Single : A 53 TYR OH : rot 150:sc= -0.176 USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 THR OG1 : rot -170:sc= -0.102 USER MOD Single : A 57 MET CE :methyl -172:sc= -0.427 (180deg=-0.62) USER MOD Single : A 59 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= -0.293 X(o=-0.29,f=-0.058) USER MOD Single : A 67 TYR OH : rot 36:sc= -0.2 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 72 HIS : no HD1:sc= -0.386 X(o=-0.39,f=-0.46) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -5.194 8.465 6.824 1.00 0.00 N ATOM 2 CA MET A 1 -4.807 7.786 5.552 1.00 0.00 C ATOM 3 C MET A 1 -6.027 7.073 4.974 1.00 0.00 C ATOM 4 O MET A 1 -6.893 6.610 5.717 1.00 0.00 O ATOM 5 CB MET A 1 -3.691 6.769 5.826 1.00 0.00 C ATOM 6 CG MET A 1 -2.672 7.352 6.813 1.00 0.00 C ATOM 7 SD MET A 1 -2.324 9.077 6.384 1.00 0.00 S ATOM 8 CE MET A 1 -1.376 9.496 7.868 1.00 0.00 C ATOM 0 H1 MET A 1 -4.443 9.126 7.107 1.00 0.00 H new ATOM 0 H2 MET A 1 -6.081 8.989 6.682 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.328 7.753 7.570 1.00 0.00 H new ATOM 0 HA MET A 1 -4.444 8.525 4.838 1.00 0.00 H new ATOM 0 HB2 MET A 1 -4.117 5.851 6.232 1.00 0.00 H new ATOM 0 HB3 MET A 1 -3.194 6.504 4.893 1.00 0.00 H new ATOM 0 HG2 MET A 1 -3.060 7.291 7.830 1.00 0.00 H new ATOM 0 HG3 MET A 1 -1.752 6.768 6.788 1.00 0.00 H new ATOM 0 HE1 MET A 1 -1.055 10.536 7.813 1.00 0.00 H new ATOM 0 HE2 MET A 1 -2.000 9.355 8.750 1.00 0.00 H new ATOM 0 HE3 MET A 1 -0.501 8.850 7.935 1.00 0.00 H new ATOM 20 N LYS A 2 -6.087 6.986 3.646 1.00 0.00 N ATOM 21 CA LYS A 2 -7.208 6.323 2.984 1.00 0.00 C ATOM 22 C LYS A 2 -6.914 4.835 2.789 1.00 0.00 C ATOM 23 O LYS A 2 -6.205 4.455 1.859 1.00 0.00 O ATOM 24 CB LYS A 2 -7.503 6.995 1.632 1.00 0.00 C ATOM 25 CG LYS A 2 -6.349 6.758 0.645 1.00 0.00 C ATOM 26 CD LYS A 2 -6.133 8.012 -0.208 1.00 0.00 C ATOM 27 CE LYS A 2 -5.149 8.950 0.496 1.00 0.00 C ATOM 28 NZ LYS A 2 -5.099 10.251 -0.230 1.00 0.00 N ATOM 0 H LYS A 2 -5.381 7.362 3.014 1.00 0.00 H new ATOM 0 HA LYS A 2 -8.089 6.418 3.619 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -8.430 6.598 1.218 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -7.651 8.065 1.777 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -5.436 6.515 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -6.575 5.905 0.005 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -5.748 7.735 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -7.083 8.521 -0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -5.457 9.109 1.529 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -4.157 8.499 0.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -4.431 10.889 0.247 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -4.786 10.091 -1.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -6.045 10.682 -0.236 1.00 0.00 H new ATOM 42 N SER A 3 -7.471 4.013 3.689 1.00 0.00 N ATOM 43 CA SER A 3 -7.300 2.551 3.658 1.00 0.00 C ATOM 44 C SER A 3 -6.362 2.099 2.540 1.00 0.00 C ATOM 45 O SER A 3 -6.722 2.141 1.361 1.00 0.00 O ATOM 46 CB SER A 3 -8.661 1.876 3.484 1.00 0.00 C ATOM 47 OG SER A 3 -9.419 2.037 4.674 1.00 0.00 O ATOM 0 H SER A 3 -8.053 4.341 4.460 1.00 0.00 H new ATOM 0 HA SER A 3 -6.849 2.257 4.606 1.00 0.00 H new ATOM 0 HB2 SER A 3 -9.192 2.314 2.639 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.529 0.817 3.263 1.00 0.00 H new ATOM 0 HG SER A 3 -10.293 1.607 4.566 1.00 0.00 H new ATOM 53 N PHE A 4 -5.164 1.660 2.920 1.00 0.00 N ATOM 54 CA PHE A 4 -4.179 1.198 1.947 1.00 0.00 C ATOM 55 C PHE A 4 -4.824 0.244 0.944 1.00 0.00 C ATOM 56 O PHE A 4 -4.454 0.220 -0.232 1.00 0.00 O ATOM 57 CB PHE A 4 -3.034 0.485 2.676 1.00 0.00 C ATOM 58 CG PHE A 4 -1.984 0.048 1.680 1.00 0.00 C ATOM 59 CD1 PHE A 4 -2.185 -1.104 0.908 1.00 0.00 C ATOM 60 CD2 PHE A 4 -0.810 0.795 1.529 1.00 0.00 C ATOM 61 CE1 PHE A 4 -1.213 -1.507 -0.014 1.00 0.00 C ATOM 62 CE2 PHE A 4 0.162 0.391 0.607 1.00 0.00 C ATOM 63 CZ PHE A 4 -0.039 -0.759 -0.165 1.00 0.00 C ATOM 0 H PHE A 4 -4.854 1.615 3.891 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.788 2.060 1.406 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.591 1.152 3.416 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.418 -0.380 3.216 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.090 -1.681 1.025 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -0.654 1.683 2.124 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -1.368 -2.395 -0.609 1.00 0.00 H new ATOM 0 HE2 PHE A 4 1.068 0.967 0.491 1.00 0.00 H new ATOM 0 HZ PHE A 4 0.711 -1.069 -0.877 1.00 0.00 H new ATOM 73 N TYR A 5 -5.794 -0.534 1.415 1.00 0.00 N ATOM 74 CA TYR A 5 -6.491 -1.483 0.555 1.00 0.00 C ATOM 75 C TYR A 5 -7.160 -0.763 -0.613 1.00 0.00 C ATOM 76 O TYR A 5 -7.065 -1.202 -1.760 1.00 0.00 O ATOM 77 CB TYR A 5 -7.546 -2.242 1.365 1.00 0.00 C ATOM 78 CG TYR A 5 -8.143 -3.343 0.518 1.00 0.00 C ATOM 79 CD1 TYR A 5 -7.363 -4.450 0.163 1.00 0.00 C ATOM 80 CD2 TYR A 5 -9.473 -3.257 0.090 1.00 0.00 C ATOM 81 CE1 TYR A 5 -7.912 -5.473 -0.618 1.00 0.00 C ATOM 82 CE2 TYR A 5 -10.023 -4.281 -0.693 1.00 0.00 C ATOM 83 CZ TYR A 5 -9.242 -5.388 -1.046 1.00 0.00 C ATOM 84 OH TYR A 5 -9.784 -6.398 -1.817 1.00 0.00 O ATOM 0 H TYR A 5 -6.114 -0.526 2.384 1.00 0.00 H new ATOM 0 HA TYR A 5 -5.761 -2.188 0.157 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -7.095 -2.665 2.263 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -8.328 -1.558 1.693 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -6.336 -4.514 0.492 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -10.075 -2.403 0.363 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -7.310 -6.327 -0.890 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -11.049 -4.216 -1.024 1.00 0.00 H new ATOM 0 HH TYR A 5 -10.717 -6.184 -2.028 1.00 0.00 H new ATOM 94 N HIS A 6 -7.837 0.345 -0.317 1.00 0.00 N ATOM 95 CA HIS A 6 -8.517 1.111 -1.358 1.00 0.00 C ATOM 96 C HIS A 6 -7.516 1.770 -2.293 1.00 0.00 C ATOM 97 O HIS A 6 -7.732 1.825 -3.504 1.00 0.00 O ATOM 98 CB HIS A 6 -9.384 2.201 -0.748 1.00 0.00 C ATOM 99 CG HIS A 6 -10.340 1.616 0.259 1.00 0.00 C ATOM 100 ND1 HIS A 6 -10.486 0.249 0.446 1.00 0.00 N ATOM 101 CD2 HIS A 6 -11.211 2.207 1.141 1.00 0.00 C ATOM 102 CE1 HIS A 6 -11.411 0.067 1.406 1.00 0.00 C ATOM 103 NE2 HIS A 6 -11.886 1.229 1.863 1.00 0.00 N ATOM 0 H HIS A 6 -7.929 0.728 0.624 1.00 0.00 H new ATOM 0 HA HIS A 6 -9.137 0.410 -1.917 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -8.753 2.949 -0.267 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -9.942 2.712 -1.533 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -11.351 3.272 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -11.731 -0.901 1.764 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -12.592 1.369 2.586 1.00 0.00 H new ATOM 112 N TYR A 7 -6.416 2.271 -1.736 1.00 0.00 N ATOM 113 CA TYR A 7 -5.408 2.909 -2.568 1.00 0.00 C ATOM 114 C TYR A 7 -4.998 1.917 -3.643 1.00 0.00 C ATOM 115 O TYR A 7 -4.977 2.235 -4.832 1.00 0.00 O ATOM 116 CB TYR A 7 -4.190 3.311 -1.729 1.00 0.00 C ATOM 117 CG TYR A 7 -3.108 3.840 -2.642 1.00 0.00 C ATOM 118 CD1 TYR A 7 -3.081 5.198 -2.984 1.00 0.00 C ATOM 119 CD2 TYR A 7 -2.135 2.971 -3.150 1.00 0.00 C ATOM 120 CE1 TYR A 7 -2.083 5.685 -3.836 1.00 0.00 C ATOM 121 CE2 TYR A 7 -1.137 3.459 -4.000 1.00 0.00 C ATOM 122 CZ TYR A 7 -1.111 4.815 -4.343 1.00 0.00 C ATOM 123 OH TYR A 7 -0.128 5.295 -5.183 1.00 0.00 O ATOM 0 H TYR A 7 -6.206 2.248 -0.738 1.00 0.00 H new ATOM 0 HA TYR A 7 -5.814 3.815 -3.018 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -4.471 4.071 -1.000 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -3.821 2.452 -1.168 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -3.830 5.869 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -2.155 1.924 -2.886 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -2.063 6.732 -4.102 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -0.386 2.789 -4.392 1.00 0.00 H new ATOM 0 HH TYR A 7 -0.383 6.182 -5.512 1.00 0.00 H new ATOM 133 N LEU A 8 -4.712 0.696 -3.205 1.00 0.00 N ATOM 134 CA LEU A 8 -4.346 -0.373 -4.115 1.00 0.00 C ATOM 135 C LEU A 8 -5.460 -0.608 -5.134 1.00 0.00 C ATOM 136 O LEU A 8 -5.195 -0.978 -6.278 1.00 0.00 O ATOM 137 CB LEU A 8 -4.089 -1.661 -3.324 1.00 0.00 C ATOM 138 CG LEU A 8 -2.946 -2.452 -3.969 1.00 0.00 C ATOM 139 CD1 LEU A 8 -1.611 -1.742 -3.720 1.00 0.00 C ATOM 140 CD2 LEU A 8 -2.894 -3.854 -3.362 1.00 0.00 C ATOM 0 H LEU A 8 -4.728 0.425 -2.222 1.00 0.00 H new ATOM 0 HA LEU A 8 -3.438 -0.086 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -3.838 -1.419 -2.291 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -4.994 -2.269 -3.298 1.00 0.00 H new ATOM 0 HG LEU A 8 -3.120 -2.520 -5.043 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -0.804 -2.311 -4.182 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -1.644 -0.742 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -1.434 -1.667 -2.647 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -2.082 -4.419 -3.819 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -2.724 -3.779 -2.288 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -3.839 -4.365 -3.545 1.00 0.00 H new ATOM 152 N LEU A 9 -6.715 -0.398 -4.708 1.00 0.00 N ATOM 153 CA LEU A 9 -7.854 -0.605 -5.602 1.00 0.00 C ATOM 154 C LEU A 9 -7.778 0.317 -6.818 1.00 0.00 C ATOM 155 O LEU A 9 -8.373 0.028 -7.857 1.00 0.00 O ATOM 156 CB LEU A 9 -9.179 -0.397 -4.857 1.00 0.00 C ATOM 157 CG LEU A 9 -9.767 -1.759 -4.466 1.00 0.00 C ATOM 158 CD1 LEU A 9 -10.996 -1.553 -3.577 1.00 0.00 C ATOM 159 CD2 LEU A 9 -10.176 -2.528 -5.730 1.00 0.00 C ATOM 0 H LEU A 9 -6.960 -0.091 -3.767 1.00 0.00 H new ATOM 0 HA LEU A 9 -7.813 -1.636 -5.954 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -9.016 0.210 -3.966 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -9.882 0.146 -5.488 1.00 0.00 H new ATOM 0 HG LEU A 9 -9.015 -2.330 -3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -11.412 -2.522 -3.301 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -10.707 -1.012 -2.676 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -11.746 -0.978 -4.120 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -10.593 -3.495 -5.449 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -10.924 -1.955 -6.278 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -9.301 -2.680 -6.362 1.00 0.00 H new ATOM 171 N LYS A 10 -7.051 1.427 -6.683 1.00 0.00 N ATOM 172 CA LYS A 10 -6.919 2.382 -7.783 1.00 0.00 C ATOM 173 C LYS A 10 -6.141 1.756 -8.939 1.00 0.00 C ATOM 174 O LYS A 10 -6.379 2.080 -10.103 1.00 0.00 O ATOM 175 CB LYS A 10 -6.190 3.643 -7.309 1.00 0.00 C ATOM 176 CG LYS A 10 -6.976 4.302 -6.171 1.00 0.00 C ATOM 177 CD LYS A 10 -6.307 5.627 -5.787 1.00 0.00 C ATOM 178 CE LYS A 10 -7.091 6.290 -4.650 1.00 0.00 C ATOM 179 NZ LYS A 10 -8.419 6.741 -5.157 1.00 0.00 N ATOM 0 H LYS A 10 -6.550 1.685 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 10 -7.919 2.650 -8.124 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -5.186 3.387 -6.969 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -6.078 4.342 -8.138 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.006 4.479 -6.481 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -7.013 3.637 -5.308 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -5.277 5.449 -5.476 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.269 6.290 -6.651 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -7.224 5.587 -3.828 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -6.533 7.139 -4.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -8.828 7.430 -4.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.302 7.186 -6.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -9.055 5.922 -5.241 1.00 0.00 H new ATOM 193 N TYR A 11 -5.219 0.854 -8.609 1.00 0.00 N ATOM 194 CA TYR A 11 -4.420 0.183 -9.624 1.00 0.00 C ATOM 195 C TYR A 11 -5.115 -1.099 -10.082 1.00 0.00 C ATOM 196 O TYR A 11 -4.529 -1.906 -10.804 1.00 0.00 O ATOM 197 CB TYR A 11 -3.035 -0.141 -9.060 1.00 0.00 C ATOM 198 CG TYR A 11 -2.268 1.145 -8.839 1.00 0.00 C ATOM 199 CD1 TYR A 11 -2.503 1.912 -7.688 1.00 0.00 C ATOM 200 CD2 TYR A 11 -1.327 1.572 -9.785 1.00 0.00 C ATOM 201 CE1 TYR A 11 -1.797 3.104 -7.487 1.00 0.00 C ATOM 202 CE2 TYR A 11 -0.623 2.764 -9.581 1.00 0.00 C ATOM 203 CZ TYR A 11 -0.857 3.530 -8.432 1.00 0.00 C ATOM 204 OH TYR A 11 -0.162 4.706 -8.232 1.00 0.00 O ATOM 0 H TYR A 11 -5.010 0.574 -7.651 1.00 0.00 H new ATOM 0 HA TYR A 11 -4.310 0.844 -10.483 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -3.131 -0.686 -8.121 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -2.492 -0.787 -9.749 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -3.228 1.583 -6.958 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -1.145 0.982 -10.671 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -1.978 3.695 -6.602 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.102 3.094 -10.311 1.00 0.00 H new ATOM 0 HH TYR A 11 -0.139 4.913 -7.274 1.00 0.00 H new ATOM 214 N ARG A 12 -6.378 -1.253 -9.662 1.00 0.00 N ATOM 215 CA ARG A 12 -7.202 -2.414 -10.015 1.00 0.00 C ATOM 216 C ARG A 12 -6.353 -3.646 -10.344 1.00 0.00 C ATOM 217 O ARG A 12 -5.368 -3.936 -9.661 1.00 0.00 O ATOM 218 CB ARG A 12 -8.088 -2.033 -11.206 1.00 0.00 C ATOM 219 CG ARG A 12 -9.471 -2.677 -11.058 1.00 0.00 C ATOM 220 CD ARG A 12 -10.391 -1.751 -10.256 1.00 0.00 C ATOM 221 NE ARG A 12 -10.484 -0.444 -10.901 1.00 0.00 N ATOM 222 CZ ARG A 12 -11.358 0.472 -10.488 1.00 0.00 C ATOM 223 NH1 ARG A 12 -12.161 0.212 -9.493 1.00 0.00 N ATOM 224 NH2 ARG A 12 -11.413 1.631 -11.084 1.00 0.00 N ATOM 0 H ARG A 12 -6.856 -0.575 -9.068 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.817 -2.684 -9.156 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -8.187 -0.949 -11.264 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -7.623 -2.361 -12.136 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -9.900 -2.869 -12.041 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -9.382 -3.640 -10.556 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -11.383 -2.195 -10.174 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -10.008 -1.637 -9.242 1.00 0.00 H new ATOM 0 HE ARG A 12 -9.867 -0.228 -11.684 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -12.121 -0.695 -9.029 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -12.829 0.916 -9.179 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -10.788 1.834 -11.864 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -12.081 2.335 -10.770 1.00 0.00 H new ATOM 238 N HIS A 13 -6.750 -4.374 -11.379 1.00 0.00 N ATOM 239 CA HIS A 13 -6.031 -5.577 -11.789 1.00 0.00 C ATOM 240 C HIS A 13 -6.401 -5.961 -13.226 1.00 0.00 C ATOM 241 O HIS A 13 -6.850 -7.078 -13.488 1.00 0.00 O ATOM 242 CB HIS A 13 -6.358 -6.733 -10.831 1.00 0.00 C ATOM 243 CG HIS A 13 -7.829 -7.048 -10.883 1.00 0.00 C ATOM 244 ND1 HIS A 13 -8.798 -6.116 -10.548 1.00 0.00 N ATOM 245 CD2 HIS A 13 -8.512 -8.190 -11.226 1.00 0.00 C ATOM 246 CE1 HIS A 13 -9.998 -6.705 -10.696 1.00 0.00 C ATOM 247 NE2 HIS A 13 -9.880 -7.971 -11.108 1.00 0.00 N ATOM 0 H HIS A 13 -7.565 -4.154 -11.951 1.00 0.00 H new ATOM 0 HA HIS A 13 -4.961 -5.375 -11.751 1.00 0.00 H new ATOM 0 HB2 HIS A 13 -5.779 -7.616 -11.103 1.00 0.00 H new ATOM 0 HB3 HIS A 13 -6.071 -6.465 -9.814 1.00 0.00 H new ATOM 0 HD2 HIS A 13 -8.055 -9.117 -11.540 1.00 0.00 H new ATOM 0 HE1 HIS A 13 -10.941 -6.215 -10.505 1.00 0.00 H new ATOM 0 HE2 HIS A 13 -10.632 -8.634 -11.296 1.00 0.00 H new ATOM 256 N PRO A 14 -6.209 -5.054 -14.155 1.00 0.00 N ATOM 257 CA PRO A 14 -6.516 -5.282 -15.591 1.00 0.00 C ATOM 258 C PRO A 14 -5.325 -5.888 -16.339 1.00 0.00 C ATOM 259 O PRO A 14 -5.137 -7.105 -16.336 1.00 0.00 O ATOM 260 CB PRO A 14 -6.831 -3.869 -16.084 1.00 0.00 C ATOM 261 CG PRO A 14 -5.962 -2.967 -15.262 1.00 0.00 C ATOM 262 CD PRO A 14 -5.672 -3.698 -13.944 1.00 0.00 C ATOM 0 HA PRO A 14 -7.327 -5.992 -15.753 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -6.614 -3.765 -17.147 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -7.886 -3.630 -15.949 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -5.035 -2.740 -15.789 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -6.462 -2.017 -15.074 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -4.604 -3.722 -13.729 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -6.156 -3.205 -13.101 1.00 0.00 H new ATOM 270 N LYS A 15 -4.523 -5.027 -16.967 1.00 0.00 N ATOM 271 CA LYS A 15 -3.347 -5.475 -17.709 1.00 0.00 C ATOM 272 C LYS A 15 -2.075 -4.964 -17.027 1.00 0.00 C ATOM 273 O LYS A 15 -1.550 -3.909 -17.384 1.00 0.00 O ATOM 274 CB LYS A 15 -3.406 -4.951 -19.148 1.00 0.00 C ATOM 275 CG LYS A 15 -4.633 -5.535 -19.863 1.00 0.00 C ATOM 276 CD LYS A 15 -5.083 -4.588 -20.981 1.00 0.00 C ATOM 277 CE LYS A 15 -4.094 -4.654 -22.148 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.130 -6.015 -22.753 1.00 0.00 N ATOM 0 H LYS A 15 -4.667 -4.017 -16.976 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.333 -6.565 -17.725 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -3.458 -3.862 -19.147 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.497 -5.226 -19.683 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.392 -6.514 -20.278 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.444 -5.682 -19.150 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -6.081 -4.863 -21.323 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -5.145 -3.568 -20.603 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -4.349 -3.904 -22.897 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.087 -4.426 -21.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -3.837 -5.960 -23.749 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.482 -6.642 -22.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.097 -6.394 -22.697 1.00 0.00 H new ATOM 292 N PRO A 16 -1.586 -5.682 -16.044 1.00 0.00 N ATOM 293 CA PRO A 16 -0.362 -5.287 -15.284 1.00 0.00 C ATOM 294 C PRO A 16 0.928 -5.486 -16.079 1.00 0.00 C ATOM 295 O PRO A 16 0.979 -6.282 -17.018 1.00 0.00 O ATOM 296 CB PRO A 16 -0.389 -6.205 -14.060 1.00 0.00 C ATOM 297 CG PRO A 16 -1.132 -7.420 -14.502 1.00 0.00 C ATOM 298 CD PRO A 16 -2.146 -6.954 -15.548 1.00 0.00 C ATOM 0 HA PRO A 16 -0.370 -4.225 -15.039 1.00 0.00 H new ATOM 0 HB2 PRO A 16 0.620 -6.457 -13.734 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -0.886 -5.724 -13.217 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -0.451 -8.159 -14.924 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -1.635 -7.895 -13.659 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -2.255 -7.683 -16.351 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -3.134 -6.812 -15.111 1.00 0.00 H new ATOM 306 N LYS A 17 1.969 -4.760 -15.676 1.00 0.00 N ATOM 307 CA LYS A 17 3.275 -4.853 -16.325 1.00 0.00 C ATOM 308 C LYS A 17 4.373 -4.519 -15.318 1.00 0.00 C ATOM 309 O LYS A 17 5.407 -5.188 -15.267 1.00 0.00 O ATOM 310 CB LYS A 17 3.363 -3.901 -17.527 1.00 0.00 C ATOM 311 CG LYS A 17 2.559 -2.624 -17.257 1.00 0.00 C ATOM 312 CD LYS A 17 2.965 -1.547 -18.269 1.00 0.00 C ATOM 313 CE LYS A 17 2.205 -0.249 -17.978 1.00 0.00 C ATOM 314 NZ LYS A 17 2.834 0.449 -16.822 1.00 0.00 N ATOM 0 H LYS A 17 1.933 -4.099 -14.900 1.00 0.00 H new ATOM 0 HA LYS A 17 3.407 -5.872 -16.688 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.405 -3.648 -17.723 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.982 -4.396 -18.420 1.00 0.00 H new ATOM 0 HG2 LYS A 17 1.491 -2.829 -17.335 1.00 0.00 H new ATOM 0 HG3 LYS A 17 2.742 -2.273 -16.242 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.039 -1.370 -18.215 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.749 -1.887 -19.282 1.00 0.00 H new ATOM 0 HE2 LYS A 17 2.217 0.396 -18.856 1.00 0.00 H new ATOM 0 HE3 LYS A 17 1.160 -0.469 -17.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 2.328 1.338 -16.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.785 -0.160 -15.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 3.829 0.657 -17.041 1.00 0.00 H new ATOM 328 N ASP A 18 4.132 -3.488 -14.511 1.00 0.00 N ATOM 329 CA ASP A 18 5.095 -3.078 -13.494 1.00 0.00 C ATOM 330 C ASP A 18 4.933 -3.938 -12.244 1.00 0.00 C ATOM 331 O ASP A 18 3.859 -4.488 -11.999 1.00 0.00 O ATOM 332 CB ASP A 18 4.886 -1.603 -13.134 1.00 0.00 C ATOM 333 CG ASP A 18 4.794 -0.747 -14.399 1.00 0.00 C ATOM 334 OD1 ASP A 18 5.352 -1.143 -15.411 1.00 0.00 O ATOM 335 OD2 ASP A 18 4.168 0.299 -14.335 1.00 0.00 O ATOM 0 H ASP A 18 3.282 -2.924 -14.542 1.00 0.00 H new ATOM 0 HA ASP A 18 6.101 -3.209 -13.892 1.00 0.00 H new ATOM 0 HB2 ASP A 18 3.975 -1.492 -12.547 1.00 0.00 H new ATOM 0 HB3 ASP A 18 5.711 -1.255 -12.512 1.00 0.00 H new ATOM 340 N SER A 19 6.003 -4.053 -11.460 1.00 0.00 N ATOM 341 CA SER A 19 5.969 -4.855 -10.238 1.00 0.00 C ATOM 342 C SER A 19 4.779 -4.470 -9.361 1.00 0.00 C ATOM 343 O SER A 19 4.103 -5.337 -8.805 1.00 0.00 O ATOM 344 CB SER A 19 7.267 -4.661 -9.453 1.00 0.00 C ATOM 345 OG SER A 19 8.347 -4.481 -10.361 1.00 0.00 O ATOM 0 H SER A 19 6.900 -3.604 -11.647 1.00 0.00 H new ATOM 0 HA SER A 19 5.864 -5.902 -10.522 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.182 -3.795 -8.796 1.00 0.00 H new ATOM 0 HB3 SER A 19 7.453 -5.526 -8.817 1.00 0.00 H new ATOM 0 HG SER A 19 9.179 -4.355 -9.859 1.00 0.00 H new ATOM 351 N ILE A 20 4.534 -3.167 -9.236 1.00 0.00 N ATOM 352 CA ILE A 20 3.428 -2.675 -8.416 1.00 0.00 C ATOM 353 C ILE A 20 2.083 -3.149 -8.968 1.00 0.00 C ATOM 354 O ILE A 20 1.175 -3.490 -8.207 1.00 0.00 O ATOM 355 CB ILE A 20 3.464 -1.139 -8.358 1.00 0.00 C ATOM 356 CG1 ILE A 20 2.728 -0.657 -7.100 1.00 0.00 C ATOM 357 CG2 ILE A 20 2.788 -0.545 -9.601 1.00 0.00 C ATOM 358 CD1 ILE A 20 2.940 0.850 -6.925 1.00 0.00 C ATOM 0 H ILE A 20 5.083 -2.436 -9.689 1.00 0.00 H new ATOM 0 HA ILE A 20 3.542 -3.077 -7.409 1.00 0.00 H new ATOM 0 HB ILE A 20 4.503 -0.811 -8.327 1.00 0.00 H new ATOM 0 HG12 ILE A 20 1.664 -0.877 -7.182 1.00 0.00 H new ATOM 0 HG13 ILE A 20 3.097 -1.190 -6.224 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.820 0.543 -9.548 1.00 0.00 H new ATOM 0 HG22 ILE A 20 3.313 -0.880 -10.496 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.750 -0.876 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 20 2.417 1.190 -6.031 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.005 1.058 -6.823 1.00 0.00 H new ATOM 0 HD13 ILE A 20 2.549 1.376 -7.796 1.00 0.00 H new ATOM 370 N SER A 21 1.961 -3.160 -10.294 1.00 0.00 N ATOM 371 CA SER A 21 0.723 -3.583 -10.938 1.00 0.00 C ATOM 372 C SER A 21 0.425 -5.044 -10.629 1.00 0.00 C ATOM 373 O SER A 21 -0.689 -5.383 -10.229 1.00 0.00 O ATOM 374 CB SER A 21 0.830 -3.396 -12.454 1.00 0.00 C ATOM 375 OG SER A 21 1.466 -2.155 -12.732 1.00 0.00 O ATOM 0 H SER A 21 2.701 -2.882 -10.939 1.00 0.00 H new ATOM 0 HA SER A 21 -0.089 -2.968 -10.550 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.399 -4.215 -12.894 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.162 -3.418 -12.905 1.00 0.00 H new ATOM 0 HG SER A 21 1.537 -2.034 -13.702 1.00 0.00 H new ATOM 381 N GLU A 22 1.427 -5.901 -10.810 1.00 0.00 N ATOM 382 CA GLU A 22 1.260 -7.327 -10.547 1.00 0.00 C ATOM 383 C GLU A 22 0.852 -7.554 -9.097 1.00 0.00 C ATOM 384 O GLU A 22 0.029 -8.422 -8.803 1.00 0.00 O ATOM 385 CB GLU A 22 2.564 -8.081 -10.837 1.00 0.00 C ATOM 386 CG GLU A 22 3.212 -7.528 -12.111 1.00 0.00 C ATOM 387 CD GLU A 22 3.966 -8.636 -12.842 1.00 0.00 C ATOM 388 OE1 GLU A 22 3.313 -9.533 -13.353 1.00 0.00 O ATOM 389 OE2 GLU A 22 5.183 -8.571 -12.884 1.00 0.00 O ATOM 0 H GLU A 22 2.356 -5.635 -11.135 1.00 0.00 H new ATOM 0 HA GLU A 22 0.476 -7.706 -11.203 1.00 0.00 H new ATOM 0 HB2 GLU A 22 3.249 -7.978 -9.996 1.00 0.00 H new ATOM 0 HB3 GLU A 22 2.361 -9.145 -10.954 1.00 0.00 H new ATOM 0 HG2 GLU A 22 2.447 -7.107 -12.763 1.00 0.00 H new ATOM 0 HG3 GLU A 22 3.896 -6.718 -11.858 1.00 0.00 H new ATOM 396 N PHE A 23 1.423 -6.756 -8.196 1.00 0.00 N ATOM 397 CA PHE A 23 1.102 -6.867 -6.778 1.00 0.00 C ATOM 398 C PHE A 23 -0.383 -6.605 -6.564 1.00 0.00 C ATOM 399 O PHE A 23 -1.043 -7.301 -5.793 1.00 0.00 O ATOM 400 CB PHE A 23 1.924 -5.853 -5.977 1.00 0.00 C ATOM 401 CG PHE A 23 1.665 -6.040 -4.498 1.00 0.00 C ATOM 402 CD1 PHE A 23 2.318 -7.058 -3.794 1.00 0.00 C ATOM 403 CD2 PHE A 23 0.770 -5.191 -3.829 1.00 0.00 C ATOM 404 CE1 PHE A 23 2.079 -7.230 -2.426 1.00 0.00 C ATOM 405 CE2 PHE A 23 0.532 -5.364 -2.460 1.00 0.00 C ATOM 406 CZ PHE A 23 1.187 -6.384 -1.759 1.00 0.00 C ATOM 0 H PHE A 23 2.105 -6.032 -8.422 1.00 0.00 H new ATOM 0 HA PHE A 23 1.343 -7.874 -6.436 1.00 0.00 H new ATOM 0 HB2 PHE A 23 2.985 -5.982 -6.189 1.00 0.00 H new ATOM 0 HB3 PHE A 23 1.660 -4.839 -6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 23 3.007 -7.712 -4.307 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.265 -4.404 -4.370 1.00 0.00 H new ATOM 0 HE1 PHE A 23 2.584 -8.017 -1.885 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -0.157 -4.711 -1.945 1.00 0.00 H new ATOM 0 HZ PHE A 23 1.003 -6.517 -0.703 1.00 0.00 H new ATOM 416 N ALA A 24 -0.897 -5.598 -7.267 1.00 0.00 N ATOM 417 CA ALA A 24 -2.307 -5.242 -7.172 1.00 0.00 C ATOM 418 C ALA A 24 -3.186 -6.457 -7.464 1.00 0.00 C ATOM 419 O ALA A 24 -4.114 -6.758 -6.711 1.00 0.00 O ATOM 420 CB ALA A 24 -2.626 -4.121 -8.163 1.00 0.00 C ATOM 0 H ALA A 24 -0.357 -5.016 -7.907 1.00 0.00 H new ATOM 0 HA ALA A 24 -2.513 -4.898 -6.158 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -3.681 -3.859 -8.088 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -2.017 -3.247 -7.932 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -2.407 -4.458 -9.176 1.00 0.00 H new ATOM 426 N ASN A 25 -2.883 -7.152 -8.562 1.00 0.00 N ATOM 427 CA ASN A 25 -3.650 -8.338 -8.947 1.00 0.00 C ATOM 428 C ASN A 25 -3.629 -9.382 -7.833 1.00 0.00 C ATOM 429 O ASN A 25 -4.669 -9.925 -7.458 1.00 0.00 O ATOM 430 CB ASN A 25 -3.070 -8.957 -10.227 1.00 0.00 C ATOM 431 CG ASN A 25 -2.759 -7.870 -11.252 1.00 0.00 C ATOM 432 OD1 ASN A 25 -1.676 -7.302 -11.238 1.00 0.00 O ATOM 433 ND2 ASN A 25 -3.645 -7.557 -12.155 1.00 0.00 N ATOM 0 H ASN A 25 -2.119 -6.917 -9.195 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.679 -8.027 -9.126 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -2.163 -9.513 -9.991 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -3.780 -9.670 -10.648 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -3.435 -6.839 -12.849 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -4.549 -8.030 -12.168 1.00 0.00 H new ATOM 440 N GLN A 26 -2.435 -9.662 -7.314 1.00 0.00 N ATOM 441 CA GLN A 26 -2.277 -10.647 -6.246 1.00 0.00 C ATOM 442 C GLN A 26 -3.018 -10.212 -4.984 1.00 0.00 C ATOM 443 O GLN A 26 -3.776 -10.987 -4.399 1.00 0.00 O ATOM 444 CB GLN A 26 -0.790 -10.832 -5.927 1.00 0.00 C ATOM 445 CG GLN A 26 -0.587 -12.133 -5.142 1.00 0.00 C ATOM 446 CD GLN A 26 -0.657 -13.336 -6.082 1.00 0.00 C ATOM 447 OE1 GLN A 26 -0.498 -13.192 -7.295 1.00 0.00 O ATOM 448 NE2 GLN A 26 -0.888 -14.522 -5.590 1.00 0.00 N ATOM 0 H GLN A 26 -1.565 -9.222 -7.615 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.702 -11.591 -6.588 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.211 -10.859 -6.850 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.425 -9.985 -5.346 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.378 -12.114 -4.636 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -1.350 -12.222 -4.369 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.020 -14.641 -4.586 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.937 -15.331 -6.210 1.00 0.00 H new ATOM 457 N ALA A 27 -2.785 -8.969 -4.569 1.00 0.00 N ATOM 458 CA ALA A 27 -3.423 -8.432 -3.371 1.00 0.00 C ATOM 459 C ALA A 27 -4.944 -8.509 -3.480 1.00 0.00 C ATOM 460 O ALA A 27 -5.641 -8.639 -2.472 1.00 0.00 O ATOM 461 CB ALA A 27 -2.999 -6.977 -3.167 1.00 0.00 C ATOM 0 H ALA A 27 -2.161 -8.317 -5.044 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.106 -9.032 -2.518 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.478 -6.581 -2.272 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -1.916 -6.926 -3.052 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -3.300 -6.386 -4.032 1.00 0.00 H new ATOM 467 N TYR A 28 -5.452 -8.433 -4.709 1.00 0.00 N ATOM 468 CA TYR A 28 -6.892 -8.498 -4.937 1.00 0.00 C ATOM 469 C TYR A 28 -7.459 -9.816 -4.412 1.00 0.00 C ATOM 470 O TYR A 28 -8.602 -9.873 -3.954 1.00 0.00 O ATOM 471 CB TYR A 28 -7.188 -8.370 -6.435 1.00 0.00 C ATOM 472 CG TYR A 28 -8.670 -8.166 -6.646 1.00 0.00 C ATOM 473 CD1 TYR A 28 -9.223 -6.884 -6.542 1.00 0.00 C ATOM 474 CD2 TYR A 28 -9.491 -9.261 -6.943 1.00 0.00 C ATOM 475 CE1 TYR A 28 -10.597 -6.697 -6.736 1.00 0.00 C ATOM 476 CE2 TYR A 28 -10.864 -9.074 -7.137 1.00 0.00 C ATOM 477 CZ TYR A 28 -11.418 -7.792 -7.033 1.00 0.00 C ATOM 478 OH TYR A 28 -12.772 -7.607 -7.224 1.00 0.00 O ATOM 0 H TYR A 28 -4.892 -8.327 -5.555 1.00 0.00 H new ATOM 0 HA TYR A 28 -7.365 -7.675 -4.402 1.00 0.00 H new ATOM 0 HB2 TYR A 28 -6.632 -7.531 -6.855 1.00 0.00 H new ATOM 0 HB3 TYR A 28 -6.856 -9.266 -6.959 1.00 0.00 H new ATOM 0 HD1 TYR A 28 -8.590 -6.040 -6.312 1.00 0.00 H new ATOM 0 HD2 TYR A 28 -9.064 -10.250 -7.022 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -11.024 -5.708 -6.657 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -11.497 -9.919 -7.367 1.00 0.00 H new ATOM 0 HH TYR A 28 -13.195 -8.468 -7.423 1.00 0.00 H new ATOM 488 N GLU A 29 -6.651 -10.872 -4.486 1.00 0.00 N ATOM 489 CA GLU A 29 -7.073 -12.187 -4.026 1.00 0.00 C ATOM 490 C GLU A 29 -6.792 -12.362 -2.533 1.00 0.00 C ATOM 491 O GLU A 29 -7.209 -13.353 -1.930 1.00 0.00 O ATOM 492 CB GLU A 29 -6.327 -13.269 -4.810 1.00 0.00 C ATOM 493 CG GLU A 29 -6.128 -12.820 -6.263 1.00 0.00 C ATOM 494 CD GLU A 29 -5.845 -14.030 -7.150 1.00 0.00 C ATOM 495 OE1 GLU A 29 -6.766 -14.794 -7.388 1.00 0.00 O ATOM 496 OE2 GLU A 29 -4.713 -14.173 -7.580 1.00 0.00 O ATOM 0 H GLU A 29 -5.703 -10.840 -4.860 1.00 0.00 H new ATOM 0 HA GLU A 29 -8.147 -12.278 -4.191 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.361 -13.465 -4.346 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -6.889 -14.202 -4.783 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -7.018 -12.300 -6.617 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -5.301 -12.113 -6.324 1.00 0.00 H new ATOM 503 N ASP A 30 -6.084 -11.401 -1.944 1.00 0.00 N ATOM 504 CA ASP A 30 -5.752 -11.471 -0.523 1.00 0.00 C ATOM 505 C ASP A 30 -6.932 -11.006 0.329 1.00 0.00 C ATOM 506 O ASP A 30 -6.972 -9.861 0.784 1.00 0.00 O ATOM 507 CB ASP A 30 -4.522 -10.604 -0.227 1.00 0.00 C ATOM 508 CG ASP A 30 -4.071 -10.790 1.223 1.00 0.00 C ATOM 509 OD1 ASP A 30 -4.118 -11.911 1.704 1.00 0.00 O ATOM 510 OD2 ASP A 30 -3.680 -9.807 1.830 1.00 0.00 O ATOM 0 H ASP A 30 -5.732 -10.572 -2.423 1.00 0.00 H new ATOM 0 HA ASP A 30 -5.529 -12.508 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -3.710 -10.871 -0.904 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -4.757 -9.555 -0.409 1.00 0.00 H new ATOM 515 N HIS A 31 -7.887 -11.908 0.544 1.00 0.00 N ATOM 516 CA HIS A 31 -9.066 -11.597 1.348 1.00 0.00 C ATOM 517 C HIS A 31 -8.689 -11.372 2.813 1.00 0.00 C ATOM 518 O HIS A 31 -9.550 -11.075 3.643 1.00 0.00 O ATOM 519 CB HIS A 31 -10.082 -12.738 1.243 1.00 0.00 C ATOM 520 CG HIS A 31 -10.792 -12.658 -0.083 1.00 0.00 C ATOM 521 ND1 HIS A 31 -10.497 -11.683 -1.024 1.00 0.00 N ATOM 522 CD2 HIS A 31 -11.792 -13.420 -0.633 1.00 0.00 C ATOM 523 CE1 HIS A 31 -11.305 -11.881 -2.080 1.00 0.00 C ATOM 524 NE2 HIS A 31 -12.115 -12.927 -1.895 1.00 0.00 N ATOM 0 H HIS A 31 -7.868 -12.858 0.173 1.00 0.00 H new ATOM 0 HA HIS A 31 -9.508 -10.678 0.964 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -9.577 -13.699 1.340 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -10.803 -12.673 2.058 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -12.257 -14.272 -0.160 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -11.300 -11.269 -2.970 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -12.819 -13.287 -2.539 1.00 0.00 H new ATOM 533 N SER A 32 -7.401 -11.516 3.124 1.00 0.00 N ATOM 534 CA SER A 32 -6.927 -11.328 4.492 1.00 0.00 C ATOM 535 C SER A 32 -6.330 -9.937 4.672 1.00 0.00 C ATOM 536 O SER A 32 -6.138 -9.482 5.800 1.00 0.00 O ATOM 537 CB SER A 32 -5.871 -12.381 4.826 1.00 0.00 C ATOM 538 OG SER A 32 -6.343 -13.662 4.434 1.00 0.00 O ATOM 0 H SER A 32 -6.673 -11.760 2.452 1.00 0.00 H new ATOM 0 HA SER A 32 -7.777 -11.434 5.166 1.00 0.00 H new ATOM 0 HB2 SER A 32 -4.938 -12.152 4.312 1.00 0.00 H new ATOM 0 HB3 SER A 32 -5.657 -12.371 5.895 1.00 0.00 H new ATOM 0 HG SER A 32 -5.667 -14.339 4.646 1.00 0.00 H new ATOM 544 N PHE A 33 -6.046 -9.266 3.555 1.00 0.00 N ATOM 545 CA PHE A 33 -5.479 -7.920 3.600 1.00 0.00 C ATOM 546 C PHE A 33 -6.260 -7.058 4.594 1.00 0.00 C ATOM 547 O PHE A 33 -7.426 -6.752 4.362 1.00 0.00 O ATOM 548 CB PHE A 33 -5.537 -7.282 2.205 1.00 0.00 C ATOM 549 CG PHE A 33 -4.436 -6.256 2.070 1.00 0.00 C ATOM 550 CD1 PHE A 33 -4.544 -5.023 2.722 1.00 0.00 C ATOM 551 CD2 PHE A 33 -3.304 -6.541 1.294 1.00 0.00 C ATOM 552 CE1 PHE A 33 -3.524 -4.073 2.598 1.00 0.00 C ATOM 553 CE2 PHE A 33 -2.285 -5.592 1.170 1.00 0.00 C ATOM 554 CZ PHE A 33 -2.394 -4.358 1.821 1.00 0.00 C ATOM 0 H PHE A 33 -6.198 -9.630 2.615 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.440 -7.984 3.922 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -5.429 -8.049 1.438 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -6.508 -6.811 2.050 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -5.415 -4.804 3.322 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.219 -7.493 0.792 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.608 -3.121 3.101 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -1.413 -5.811 0.571 1.00 0.00 H new ATOM 0 HZ PHE A 33 -1.607 -3.625 1.724 1.00 0.00 H new ATOM 564 N PRO A 34 -5.647 -6.678 5.690 1.00 0.00 N ATOM 565 CA PRO A 34 -6.308 -5.842 6.743 1.00 0.00 C ATOM 566 C PRO A 34 -6.940 -4.568 6.175 1.00 0.00 C ATOM 567 O PRO A 34 -6.375 -3.481 6.277 1.00 0.00 O ATOM 568 CB PRO A 34 -5.169 -5.508 7.714 1.00 0.00 C ATOM 569 CG PRO A 34 -4.153 -6.581 7.515 1.00 0.00 C ATOM 570 CD PRO A 34 -4.258 -7.008 6.052 1.00 0.00 C ATOM 0 HA PRO A 34 -7.136 -6.370 7.216 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -4.749 -4.525 7.503 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -5.524 -5.489 8.744 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.152 -6.215 7.742 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -4.342 -7.424 8.180 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -3.543 -6.473 5.427 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -4.054 -8.072 5.930 1.00 0.00 H new ATOM 578 N LYS A 35 -8.116 -4.718 5.574 1.00 0.00 N ATOM 579 CA LYS A 35 -8.827 -3.583 4.992 1.00 0.00 C ATOM 580 C LYS A 35 -9.157 -2.542 6.060 1.00 0.00 C ATOM 581 O LYS A 35 -9.191 -1.344 5.781 1.00 0.00 O ATOM 582 CB LYS A 35 -10.123 -4.059 4.323 1.00 0.00 C ATOM 583 CG LYS A 35 -9.841 -5.313 3.488 1.00 0.00 C ATOM 584 CD LYS A 35 -11.067 -5.657 2.635 1.00 0.00 C ATOM 585 CE LYS A 35 -12.169 -6.246 3.521 1.00 0.00 C ATOM 586 NZ LYS A 35 -11.602 -7.326 4.380 1.00 0.00 N ATOM 0 H LYS A 35 -8.597 -5.612 5.477 1.00 0.00 H new ATOM 0 HA LYS A 35 -8.179 -3.125 4.245 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -10.876 -4.276 5.080 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -10.527 -3.271 3.688 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.976 -5.147 2.846 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.596 -6.149 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -11.433 -4.763 2.131 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.792 -6.371 1.858 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -12.605 -5.464 4.143 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -12.972 -6.645 2.902 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -12.366 -7.960 4.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.901 -7.869 3.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.144 -6.903 5.212 1.00 0.00 H new ATOM 600 N THR A 36 -9.412 -3.013 7.281 1.00 0.00 N ATOM 601 CA THR A 36 -9.753 -2.120 8.386 1.00 0.00 C ATOM 602 C THR A 36 -8.536 -1.856 9.277 1.00 0.00 C ATOM 603 O THR A 36 -8.640 -1.852 10.506 1.00 0.00 O ATOM 604 CB THR A 36 -10.894 -2.734 9.212 1.00 0.00 C ATOM 605 OG1 THR A 36 -11.200 -1.884 10.309 1.00 0.00 O ATOM 606 CG2 THR A 36 -10.481 -4.116 9.730 1.00 0.00 C ATOM 0 H THR A 36 -9.389 -4.002 7.528 1.00 0.00 H new ATOM 0 HA THR A 36 -10.078 -1.165 7.972 1.00 0.00 H new ATOM 0 HB THR A 36 -11.775 -2.840 8.579 1.00 0.00 H new ATOM 0 HG1 THR A 36 -10.392 -1.737 10.844 1.00 0.00 H new ATOM 0 HG21 THR A 36 -11.296 -4.544 10.314 1.00 0.00 H new ATOM 0 HG22 THR A 36 -10.258 -4.769 8.886 1.00 0.00 H new ATOM 0 HG23 THR A 36 -9.596 -4.019 10.358 1.00 0.00 H new ATOM 614 N SER A 37 -7.384 -1.623 8.647 1.00 0.00 N ATOM 615 CA SER A 37 -6.151 -1.351 9.380 1.00 0.00 C ATOM 616 C SER A 37 -4.999 -1.176 8.399 1.00 0.00 C ATOM 617 O SER A 37 -4.844 -1.962 7.467 1.00 0.00 O ATOM 618 CB SER A 37 -5.826 -2.504 10.339 1.00 0.00 C ATOM 619 OG SER A 37 -5.181 -1.985 11.495 1.00 0.00 O ATOM 0 H SER A 37 -7.281 -1.618 7.632 1.00 0.00 H new ATOM 0 HA SER A 37 -6.288 -0.437 9.959 1.00 0.00 H new ATOM 0 HB2 SER A 37 -6.740 -3.026 10.622 1.00 0.00 H new ATOM 0 HB3 SER A 37 -5.183 -3.233 9.846 1.00 0.00 H new ATOM 0 HG SER A 37 -4.973 -2.719 12.111 1.00 0.00 H new ATOM 625 N THR A 38 -4.185 -0.150 8.616 1.00 0.00 N ATOM 626 CA THR A 38 -3.049 0.097 7.739 1.00 0.00 C ATOM 627 C THR A 38 -1.840 0.491 8.570 1.00 0.00 C ATOM 628 O THR A 38 -1.768 1.595 9.112 1.00 0.00 O ATOM 629 CB THR A 38 -3.388 1.206 6.725 1.00 0.00 C ATOM 630 OG1 THR A 38 -2.203 1.905 6.365 1.00 0.00 O ATOM 631 CG2 THR A 38 -4.395 2.187 7.338 1.00 0.00 C ATOM 0 H THR A 38 -4.288 0.516 9.381 1.00 0.00 H new ATOM 0 HA THR A 38 -2.819 -0.814 7.186 1.00 0.00 H new ATOM 0 HB THR A 38 -3.826 0.752 5.836 1.00 0.00 H new ATOM 0 HG1 THR A 38 -2.422 2.609 5.719 1.00 0.00 H new ATOM 0 HG21 THR A 38 -4.629 2.968 6.614 1.00 0.00 H new ATOM 0 HG22 THR A 38 -5.307 1.653 7.604 1.00 0.00 H new ATOM 0 HG23 THR A 38 -3.965 2.638 8.232 1.00 0.00 H new ATOM 639 N ASP A 39 -0.894 -0.433 8.663 1.00 0.00 N ATOM 640 CA ASP A 39 0.323 -0.209 9.422 1.00 0.00 C ATOM 641 C ASP A 39 1.490 -0.903 8.731 1.00 0.00 C ATOM 642 O ASP A 39 1.411 -2.088 8.410 1.00 0.00 O ATOM 643 CB ASP A 39 0.139 -0.740 10.844 1.00 0.00 C ATOM 644 CG ASP A 39 1.363 -0.413 11.695 1.00 0.00 C ATOM 645 OD1 ASP A 39 2.389 -1.042 11.496 1.00 0.00 O ATOM 646 OD2 ASP A 39 1.256 0.464 12.538 1.00 0.00 O ATOM 0 H ASP A 39 -0.949 -1.349 8.218 1.00 0.00 H new ATOM 0 HA ASP A 39 0.538 0.858 9.474 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -0.752 -0.299 11.292 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.017 -1.818 10.819 1.00 0.00 H new ATOM 651 N TYR A 40 2.562 -0.161 8.491 1.00 0.00 N ATOM 652 CA TYR A 40 3.730 -0.716 7.817 1.00 0.00 C ATOM 653 C TYR A 40 4.311 -1.905 8.585 1.00 0.00 C ATOM 654 O TYR A 40 4.497 -2.979 8.020 1.00 0.00 O ATOM 655 CB TYR A 40 4.803 0.366 7.665 1.00 0.00 C ATOM 656 CG TYR A 40 6.029 -0.225 7.003 1.00 0.00 C ATOM 657 CD1 TYR A 40 6.065 -0.392 5.613 1.00 0.00 C ATOM 658 CD2 TYR A 40 7.129 -0.604 7.782 1.00 0.00 C ATOM 659 CE1 TYR A 40 7.200 -0.940 5.003 1.00 0.00 C ATOM 660 CE2 TYR A 40 8.263 -1.151 7.172 1.00 0.00 C ATOM 661 CZ TYR A 40 8.299 -1.318 5.782 1.00 0.00 C ATOM 662 OH TYR A 40 9.418 -1.856 5.181 1.00 0.00 O ATOM 0 H TYR A 40 2.648 0.822 8.751 1.00 0.00 H new ATOM 0 HA TYR A 40 3.413 -1.068 6.835 1.00 0.00 H new ATOM 0 HB2 TYR A 40 4.418 1.193 7.068 1.00 0.00 H new ATOM 0 HB3 TYR A 40 5.065 0.773 8.642 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.217 -0.098 5.012 1.00 0.00 H new ATOM 0 HD2 TYR A 40 7.102 -0.474 8.854 1.00 0.00 H new ATOM 0 HE1 TYR A 40 7.227 -1.071 3.931 1.00 0.00 H new ATOM 0 HE2 TYR A 40 9.111 -1.445 7.773 1.00 0.00 H new ATOM 0 HH TYR A 40 10.089 -2.063 5.865 1.00 0.00 H new ATOM 672 N HIS A 41 4.613 -1.699 9.863 1.00 0.00 N ATOM 673 CA HIS A 41 5.200 -2.754 10.689 1.00 0.00 C ATOM 674 C HIS A 41 4.269 -3.960 10.833 1.00 0.00 C ATOM 675 O HIS A 41 4.686 -5.101 10.628 1.00 0.00 O ATOM 676 CB HIS A 41 5.526 -2.195 12.077 1.00 0.00 C ATOM 677 CG HIS A 41 6.594 -3.037 12.724 1.00 0.00 C ATOM 678 ND1 HIS A 41 6.334 -4.307 13.211 1.00 0.00 N ATOM 679 CD2 HIS A 41 7.925 -2.805 12.968 1.00 0.00 C ATOM 680 CE1 HIS A 41 7.483 -4.789 13.719 1.00 0.00 C ATOM 681 NE2 HIS A 41 8.485 -3.913 13.597 1.00 0.00 N ATOM 0 H HIS A 41 4.463 -0.815 10.350 1.00 0.00 H new ATOM 0 HA HIS A 41 6.109 -3.094 10.192 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.864 -1.162 11.994 1.00 0.00 H new ATOM 0 HB3 HIS A 41 4.629 -2.188 12.697 1.00 0.00 H new ATOM 0 HD2 HIS A 41 8.456 -1.901 12.711 1.00 0.00 H new ATOM 0 HE1 HIS A 41 7.583 -5.765 14.170 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.452 -4.031 13.900 1.00 0.00 H new ATOM 690 N GLU A 42 3.022 -3.708 11.211 1.00 0.00 N ATOM 691 CA GLU A 42 2.057 -4.787 11.406 1.00 0.00 C ATOM 692 C GLU A 42 1.796 -5.567 10.117 1.00 0.00 C ATOM 693 O GLU A 42 1.874 -6.798 10.100 1.00 0.00 O ATOM 694 CB GLU A 42 0.738 -4.213 11.929 1.00 0.00 C ATOM 695 CG GLU A 42 0.073 -5.230 12.863 1.00 0.00 C ATOM 696 CD GLU A 42 -1.277 -4.704 13.349 1.00 0.00 C ATOM 697 OE1 GLU A 42 -1.383 -3.511 13.587 1.00 0.00 O ATOM 698 OE2 GLU A 42 -2.188 -5.506 13.482 1.00 0.00 O ATOM 0 H GLU A 42 2.655 -2.773 11.388 1.00 0.00 H new ATOM 0 HA GLU A 42 2.483 -5.478 12.133 1.00 0.00 H new ATOM 0 HB2 GLU A 42 0.921 -3.280 12.461 1.00 0.00 H new ATOM 0 HB3 GLU A 42 0.075 -3.980 11.096 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.065 -6.177 12.341 1.00 0.00 H new ATOM 0 HG3 GLU A 42 0.722 -5.428 13.716 1.00 0.00 H new ATOM 705 N ILE A 43 1.471 -4.852 9.043 1.00 0.00 N ATOM 706 CA ILE A 43 1.182 -5.504 7.768 1.00 0.00 C ATOM 707 C ILE A 43 2.436 -6.154 7.183 1.00 0.00 C ATOM 708 O ILE A 43 2.376 -7.279 6.687 1.00 0.00 O ATOM 709 CB ILE A 43 0.579 -4.493 6.781 1.00 0.00 C ATOM 710 CG1 ILE A 43 -0.778 -4.024 7.332 1.00 0.00 C ATOM 711 CG2 ILE A 43 0.378 -5.163 5.416 1.00 0.00 C ATOM 712 CD1 ILE A 43 -1.433 -3.021 6.373 1.00 0.00 C ATOM 0 H ILE A 43 1.402 -3.834 9.028 1.00 0.00 H new ATOM 0 HA ILE A 43 0.453 -6.295 7.945 1.00 0.00 H new ATOM 0 HB ILE A 43 1.249 -3.641 6.661 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -1.435 -4.882 7.474 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -0.640 -3.563 8.310 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -0.050 -4.444 4.717 1.00 0.00 H new ATOM 0 HG22 ILE A 43 1.339 -5.510 5.036 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.298 -6.011 5.523 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -2.392 -2.701 6.780 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -0.783 -2.155 6.253 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -1.590 -3.494 5.404 1.00 0.00 H new ATOM 724 N SER A 44 3.571 -5.456 7.251 1.00 0.00 N ATOM 725 CA SER A 44 4.822 -6.009 6.726 1.00 0.00 C ATOM 726 C SER A 44 5.070 -7.399 7.306 1.00 0.00 C ATOM 727 O SER A 44 5.486 -8.312 6.594 1.00 0.00 O ATOM 728 CB SER A 44 6.004 -5.095 7.058 1.00 0.00 C ATOM 729 OG SER A 44 6.194 -5.056 8.467 1.00 0.00 O ATOM 0 H SER A 44 3.651 -4.524 7.656 1.00 0.00 H new ATOM 0 HA SER A 44 4.730 -6.082 5.642 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.907 -5.459 6.569 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.818 -4.091 6.678 1.00 0.00 H new ATOM 0 HG SER A 44 5.326 -5.129 8.916 1.00 0.00 H new ATOM 735 N SER A 45 4.800 -7.553 8.604 1.00 0.00 N ATOM 736 CA SER A 45 4.982 -8.832 9.269 1.00 0.00 C ATOM 737 C SER A 45 4.043 -9.869 8.667 1.00 0.00 C ATOM 738 O SER A 45 4.444 -11.000 8.401 1.00 0.00 O ATOM 739 CB SER A 45 4.699 -8.680 10.764 1.00 0.00 C ATOM 740 OG SER A 45 5.686 -7.841 11.349 1.00 0.00 O ATOM 0 H SER A 45 4.456 -6.807 9.208 1.00 0.00 H new ATOM 0 HA SER A 45 6.011 -9.164 9.131 1.00 0.00 H new ATOM 0 HB2 SER A 45 3.707 -8.254 10.916 1.00 0.00 H new ATOM 0 HB3 SER A 45 4.704 -9.657 11.247 1.00 0.00 H new ATOM 0 HG SER A 45 5.463 -6.903 11.174 1.00 0.00 H new ATOM 746 N TYR A 46 2.793 -9.467 8.445 1.00 0.00 N ATOM 747 CA TYR A 46 1.803 -10.368 7.863 1.00 0.00 C ATOM 748 C TYR A 46 2.259 -10.833 6.483 1.00 0.00 C ATOM 749 O TYR A 46 2.075 -11.994 6.117 1.00 0.00 O ATOM 750 CB TYR A 46 0.453 -9.653 7.744 1.00 0.00 C ATOM 751 CG TYR A 46 -0.617 -10.652 7.365 1.00 0.00 C ATOM 752 CD1 TYR A 46 -0.858 -10.946 6.015 1.00 0.00 C ATOM 753 CD2 TYR A 46 -1.368 -11.284 8.363 1.00 0.00 C ATOM 754 CE1 TYR A 46 -1.848 -11.872 5.668 1.00 0.00 C ATOM 755 CE2 TYR A 46 -2.357 -12.211 8.014 1.00 0.00 C ATOM 756 CZ TYR A 46 -2.597 -12.504 6.667 1.00 0.00 C ATOM 757 OH TYR A 46 -3.571 -13.419 6.324 1.00 0.00 O ATOM 0 H TYR A 46 2.445 -8.532 8.657 1.00 0.00 H new ATOM 0 HA TYR A 46 1.696 -11.236 8.513 1.00 0.00 H new ATOM 0 HB2 TYR A 46 0.199 -9.174 8.689 1.00 0.00 H new ATOM 0 HB3 TYR A 46 0.512 -8.865 6.993 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -0.280 -10.458 5.244 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -1.184 -11.056 9.403 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -2.034 -12.099 4.629 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -2.935 -12.700 8.784 1.00 0.00 H new ATOM 0 HH TYR A 46 -3.996 -13.765 7.137 1.00 0.00 H new ATOM 767 N LEU A 47 2.860 -9.918 5.729 1.00 0.00 N ATOM 768 CA LEU A 47 3.348 -10.238 4.390 1.00 0.00 C ATOM 769 C LEU A 47 4.615 -11.084 4.476 1.00 0.00 C ATOM 770 O LEU A 47 4.764 -12.069 3.751 1.00 0.00 O ATOM 771 CB LEU A 47 3.643 -8.946 3.619 1.00 0.00 C ATOM 772 CG LEU A 47 2.363 -8.113 3.495 1.00 0.00 C ATOM 773 CD1 LEU A 47 2.710 -6.713 2.983 1.00 0.00 C ATOM 774 CD2 LEU A 47 1.401 -8.793 2.513 1.00 0.00 C ATOM 0 H LEU A 47 3.021 -8.954 6.019 1.00 0.00 H new ATOM 0 HA LEU A 47 2.579 -10.805 3.865 1.00 0.00 H new ATOM 0 HB2 LEU A 47 4.413 -8.372 4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 47 4.031 -9.183 2.628 1.00 0.00 H new ATOM 0 HG LEU A 47 1.887 -8.034 4.473 1.00 0.00 H new ATOM 0 HD11 LEU A 47 1.799 -6.121 2.895 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.391 -6.228 3.682 1.00 0.00 H new ATOM 0 HD13 LEU A 47 3.188 -6.791 2.006 1.00 0.00 H new ATOM 0 HD21 LEU A 47 0.491 -8.200 2.426 1.00 0.00 H new ATOM 0 HD22 LEU A 47 1.876 -8.875 1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 47 1.151 -9.789 2.879 1.00 0.00 H new ATOM 786 N GLU A 48 5.520 -10.694 5.370 1.00 0.00 N ATOM 787 CA GLU A 48 6.773 -11.420 5.553 1.00 0.00 C ATOM 788 C GLU A 48 6.505 -12.832 6.063 1.00 0.00 C ATOM 789 O GLU A 48 7.129 -13.792 5.610 1.00 0.00 O ATOM 790 CB GLU A 48 7.671 -10.675 6.544 1.00 0.00 C ATOM 791 CG GLU A 48 8.297 -9.464 5.849 1.00 0.00 C ATOM 792 CD GLU A 48 9.225 -8.729 6.811 1.00 0.00 C ATOM 793 OE1 GLU A 48 8.731 -7.912 7.571 1.00 0.00 O ATOM 794 OE2 GLU A 48 10.415 -8.993 6.773 1.00 0.00 O ATOM 0 H GLU A 48 5.409 -9.882 5.977 1.00 0.00 H new ATOM 0 HA GLU A 48 7.277 -11.485 4.589 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.089 -10.352 7.408 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.451 -11.339 6.915 1.00 0.00 H new ATOM 0 HG2 GLU A 48 8.854 -9.787 4.970 1.00 0.00 H new ATOM 0 HG3 GLU A 48 7.514 -8.790 5.500 1.00 0.00 H new ATOM 801 N LEU A 49 5.568 -12.952 7.000 1.00 0.00 N ATOM 802 CA LEU A 49 5.224 -14.257 7.554 1.00 0.00 C ATOM 803 C LEU A 49 4.595 -15.126 6.471 1.00 0.00 C ATOM 804 O LEU A 49 4.839 -16.331 6.407 1.00 0.00 O ATOM 805 CB LEU A 49 4.244 -14.091 8.720 1.00 0.00 C ATOM 806 CG LEU A 49 4.948 -13.393 9.891 1.00 0.00 C ATOM 807 CD1 LEU A 49 3.909 -12.689 10.771 1.00 0.00 C ATOM 808 CD2 LEU A 49 5.706 -14.430 10.727 1.00 0.00 C ATOM 0 H LEU A 49 5.039 -12.171 7.388 1.00 0.00 H new ATOM 0 HA LEU A 49 6.131 -14.738 7.920 1.00 0.00 H new ATOM 0 HB2 LEU A 49 3.381 -13.507 8.402 1.00 0.00 H new ATOM 0 HB3 LEU A 49 3.871 -15.065 9.036 1.00 0.00 H new ATOM 0 HG LEU A 49 5.651 -12.657 9.501 1.00 0.00 H new ATOM 0 HD11 LEU A 49 4.411 -12.194 11.602 1.00 0.00 H new ATOM 0 HD12 LEU A 49 3.372 -11.948 10.178 1.00 0.00 H new ATOM 0 HD13 LEU A 49 3.203 -13.423 11.159 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.205 -13.932 11.558 1.00 0.00 H new ATOM 0 HD22 LEU A 49 5.004 -15.168 11.115 1.00 0.00 H new ATOM 0 HD23 LEU A 49 6.448 -14.928 10.103 1.00 0.00 H new ATOM 820 N ASN A 50 3.803 -14.495 5.607 1.00 0.00 N ATOM 821 CA ASN A 50 3.162 -15.208 4.509 1.00 0.00 C ATOM 822 C ASN A 50 4.214 -15.675 3.508 1.00 0.00 C ATOM 823 O ASN A 50 4.851 -14.858 2.844 1.00 0.00 O ATOM 824 CB ASN A 50 2.147 -14.296 3.810 1.00 0.00 C ATOM 825 CG ASN A 50 1.142 -15.128 3.016 1.00 0.00 C ATOM 826 OD1 ASN A 50 1.384 -16.303 2.739 1.00 0.00 O ATOM 827 ND2 ASN A 50 0.021 -14.582 2.630 1.00 0.00 N ATOM 0 H ASN A 50 3.592 -13.498 5.647 1.00 0.00 H new ATOM 0 HA ASN A 50 2.640 -16.077 4.910 1.00 0.00 H new ATOM 0 HB2 ASN A 50 1.623 -13.690 4.549 1.00 0.00 H new ATOM 0 HB3 ASN A 50 2.666 -13.607 3.143 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -0.656 -15.129 2.098 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -0.178 -13.608 2.860 1.00 0.00 H new ATOM 834 N ALA A 51 4.394 -16.989 3.404 1.00 0.00 N ATOM 835 CA ALA A 51 5.377 -17.544 2.476 1.00 0.00 C ATOM 836 C ALA A 51 5.069 -17.096 1.050 1.00 0.00 C ATOM 837 O ALA A 51 5.961 -17.027 0.202 1.00 0.00 O ATOM 838 CB ALA A 51 5.361 -19.071 2.551 1.00 0.00 C ATOM 0 H ALA A 51 3.878 -17.684 3.944 1.00 0.00 H new ATOM 0 HA ALA A 51 6.366 -17.180 2.756 1.00 0.00 H new ATOM 0 HB1 ALA A 51 6.096 -19.477 1.856 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.606 -19.388 3.565 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.370 -19.438 2.285 1.00 0.00 H new ATOM 844 N ASP A 52 3.799 -16.794 0.801 1.00 0.00 N ATOM 845 CA ASP A 52 3.362 -16.352 -0.518 1.00 0.00 C ATOM 846 C ASP A 52 3.959 -14.987 -0.857 1.00 0.00 C ATOM 847 O ASP A 52 4.480 -14.784 -1.955 1.00 0.00 O ATOM 848 CB ASP A 52 1.832 -16.259 -0.553 1.00 0.00 C ATOM 849 CG ASP A 52 1.210 -17.634 -0.311 1.00 0.00 C ATOM 850 OD1 ASP A 52 1.494 -18.222 0.721 1.00 0.00 O ATOM 851 OD2 ASP A 52 0.454 -18.077 -1.160 1.00 0.00 O ATOM 0 H ASP A 52 3.054 -16.847 1.496 1.00 0.00 H new ATOM 0 HA ASP A 52 3.705 -17.079 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 52 1.486 -15.558 0.206 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.507 -15.870 -1.518 1.00 0.00 H new ATOM 856 N TYR A 53 3.865 -14.055 0.089 1.00 0.00 N ATOM 857 CA TYR A 53 4.384 -12.704 -0.119 1.00 0.00 C ATOM 858 C TYR A 53 5.824 -12.574 0.373 1.00 0.00 C ATOM 859 O TYR A 53 6.454 -11.534 0.175 1.00 0.00 O ATOM 860 CB TYR A 53 3.502 -11.690 0.613 1.00 0.00 C ATOM 861 CG TYR A 53 2.156 -11.611 -0.067 1.00 0.00 C ATOM 862 CD1 TYR A 53 2.005 -10.857 -1.238 1.00 0.00 C ATOM 863 CD2 TYR A 53 1.058 -12.291 0.474 1.00 0.00 C ATOM 864 CE1 TYR A 53 0.757 -10.783 -1.867 1.00 0.00 C ATOM 865 CE2 TYR A 53 -0.190 -12.218 -0.156 1.00 0.00 C ATOM 866 CZ TYR A 53 -0.341 -11.465 -1.326 1.00 0.00 C ATOM 867 OH TYR A 53 -1.572 -11.392 -1.947 1.00 0.00 O ATOM 0 H TYR A 53 3.437 -14.208 1.002 1.00 0.00 H new ATOM 0 HA TYR A 53 4.371 -12.504 -1.190 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.378 -11.985 1.655 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.979 -10.710 0.613 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.852 -10.333 -1.655 1.00 0.00 H new ATOM 0 HD2 TYR A 53 1.174 -12.872 1.377 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.640 -10.201 -2.769 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.037 -12.743 0.261 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.071 -12.220 -1.783 1.00 0.00 H new ATOM 877 N LEU A 54 6.342 -13.622 1.013 1.00 0.00 N ATOM 878 CA LEU A 54 7.713 -13.589 1.521 1.00 0.00 C ATOM 879 C LEU A 54 8.675 -13.115 0.432 1.00 0.00 C ATOM 880 O LEU A 54 9.600 -12.347 0.697 1.00 0.00 O ATOM 881 CB LEU A 54 8.132 -14.978 2.015 1.00 0.00 C ATOM 882 CG LEU A 54 9.604 -14.961 2.455 1.00 0.00 C ATOM 883 CD1 LEU A 54 9.825 -13.864 3.502 1.00 0.00 C ATOM 884 CD2 LEU A 54 9.970 -16.319 3.061 1.00 0.00 C ATOM 0 H LEU A 54 5.841 -14.493 1.190 1.00 0.00 H new ATOM 0 HA LEU A 54 7.752 -12.889 2.356 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.499 -15.282 2.849 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.990 -15.712 1.222 1.00 0.00 H new ATOM 0 HG LEU A 54 10.233 -14.762 1.588 1.00 0.00 H new ATOM 0 HD11 LEU A 54 10.871 -13.859 3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 54 9.568 -12.895 3.074 1.00 0.00 H new ATOM 0 HD13 LEU A 54 9.194 -14.057 4.370 1.00 0.00 H new ATOM 0 HD21 LEU A 54 11.014 -16.308 3.374 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.335 -16.515 3.925 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.822 -17.101 2.317 1.00 0.00 H new ATOM 896 N HIS A 55 8.439 -13.572 -0.795 1.00 0.00 N ATOM 897 CA HIS A 55 9.280 -13.184 -1.924 1.00 0.00 C ATOM 898 C HIS A 55 8.637 -12.021 -2.677 1.00 0.00 C ATOM 899 O HIS A 55 8.587 -12.012 -3.908 1.00 0.00 O ATOM 900 CB HIS A 55 9.471 -14.377 -2.867 1.00 0.00 C ATOM 901 CG HIS A 55 9.988 -15.553 -2.086 1.00 0.00 C ATOM 902 ND1 HIS A 55 9.194 -16.650 -1.788 1.00 0.00 N ATOM 903 CD2 HIS A 55 11.215 -15.816 -1.531 1.00 0.00 C ATOM 904 CE1 HIS A 55 9.947 -17.514 -1.082 1.00 0.00 C ATOM 905 NE2 HIS A 55 11.188 -17.053 -0.897 1.00 0.00 N ATOM 0 H HIS A 55 7.677 -14.208 -1.032 1.00 0.00 H new ATOM 0 HA HIS A 55 10.254 -12.868 -1.550 1.00 0.00 H new ATOM 0 HB2 HIS A 55 8.525 -14.632 -3.345 1.00 0.00 H new ATOM 0 HB3 HIS A 55 10.171 -14.118 -3.662 1.00 0.00 H new ATOM 0 HD2 HIS A 55 12.072 -15.161 -1.579 1.00 0.00 H new ATOM 0 HE1 HIS A 55 9.592 -18.464 -0.710 1.00 0.00 H new ATOM 0 HE2 HIS A 55 11.951 -17.510 -0.398 1.00 0.00 H new ATOM 914 N THR A 56 8.140 -11.043 -1.920 1.00 0.00 N ATOM 915 CA THR A 56 7.490 -9.875 -2.508 1.00 0.00 C ATOM 916 C THR A 56 7.807 -8.618 -1.699 1.00 0.00 C ATOM 917 O THR A 56 7.327 -7.529 -2.016 1.00 0.00 O ATOM 918 CB THR A 56 5.971 -10.095 -2.552 1.00 0.00 C ATOM 919 OG1 THR A 56 5.700 -11.416 -3.000 1.00 0.00 O ATOM 920 CG2 THR A 56 5.322 -9.088 -3.507 1.00 0.00 C ATOM 0 H THR A 56 8.176 -11.037 -0.901 1.00 0.00 H new ATOM 0 HA THR A 56 7.868 -9.740 -3.521 1.00 0.00 H new ATOM 0 HB THR A 56 5.559 -9.953 -1.553 1.00 0.00 H new ATOM 0 HG1 THR A 56 4.741 -11.510 -3.180 1.00 0.00 H new ATOM 0 HG21 THR A 56 4.245 -9.252 -3.531 1.00 0.00 H new ATOM 0 HG22 THR A 56 5.527 -8.075 -3.162 1.00 0.00 H new ATOM 0 HG23 THR A 56 5.732 -9.220 -4.508 1.00 0.00 H new ATOM 928 N MET A 57 8.622 -8.778 -0.657 1.00 0.00 N ATOM 929 CA MET A 57 9.005 -7.651 0.192 1.00 0.00 C ATOM 930 C MET A 57 9.540 -6.500 -0.657 1.00 0.00 C ATOM 931 O MET A 57 9.277 -5.331 -0.372 1.00 0.00 O ATOM 932 CB MET A 57 10.081 -8.092 1.190 1.00 0.00 C ATOM 933 CG MET A 57 9.420 -8.641 2.458 1.00 0.00 C ATOM 934 SD MET A 57 8.439 -10.104 2.044 1.00 0.00 S ATOM 935 CE MET A 57 6.807 -9.383 2.345 1.00 0.00 C ATOM 0 H MET A 57 9.028 -9.672 -0.381 1.00 0.00 H new ATOM 0 HA MET A 57 8.123 -7.311 0.734 1.00 0.00 H new ATOM 0 HB2 MET A 57 10.716 -8.855 0.740 1.00 0.00 H new ATOM 0 HB3 MET A 57 10.725 -7.249 1.441 1.00 0.00 H new ATOM 0 HG2 MET A 57 10.181 -8.897 3.195 1.00 0.00 H new ATOM 0 HG3 MET A 57 8.784 -7.879 2.908 1.00 0.00 H new ATOM 0 HE1 MET A 57 6.048 -10.163 2.285 1.00 0.00 H new ATOM 0 HE2 MET A 57 6.786 -8.932 3.337 1.00 0.00 H new ATOM 0 HE3 MET A 57 6.602 -8.619 1.594 1.00 0.00 H new ATOM 945 N ALA A 58 10.289 -6.846 -1.701 1.00 0.00 N ATOM 946 CA ALA A 58 10.861 -5.844 -2.596 1.00 0.00 C ATOM 947 C ALA A 58 9.762 -4.985 -3.214 1.00 0.00 C ATOM 948 O ALA A 58 9.884 -3.760 -3.287 1.00 0.00 O ATOM 949 CB ALA A 58 11.659 -6.531 -3.706 1.00 0.00 C ATOM 0 H ALA A 58 10.514 -7.810 -1.948 1.00 0.00 H new ATOM 0 HA ALA A 58 11.523 -5.202 -2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.083 -5.777 -4.370 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.464 -7.119 -3.265 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.000 -7.187 -4.275 1.00 0.00 H new ATOM 955 N THR A 59 8.690 -5.638 -3.657 1.00 0.00 N ATOM 956 CA THR A 59 7.573 -4.931 -4.271 1.00 0.00 C ATOM 957 C THR A 59 6.772 -4.170 -3.218 1.00 0.00 C ATOM 958 O THR A 59 6.430 -3.005 -3.417 1.00 0.00 O ATOM 959 CB THR A 59 6.660 -5.928 -4.991 1.00 0.00 C ATOM 960 OG1 THR A 59 7.423 -6.677 -5.928 1.00 0.00 O ATOM 961 CG2 THR A 59 5.548 -5.172 -5.724 1.00 0.00 C ATOM 0 H THR A 59 8.573 -6.650 -3.602 1.00 0.00 H new ATOM 0 HA THR A 59 7.971 -4.216 -4.991 1.00 0.00 H new ATOM 0 HB THR A 59 6.215 -6.604 -4.261 1.00 0.00 H new ATOM 0 HG1 THR A 59 6.840 -7.316 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 59 4.900 -5.884 -6.235 1.00 0.00 H new ATOM 0 HG22 THR A 59 4.962 -4.600 -5.005 1.00 0.00 H new ATOM 0 HG23 THR A 59 5.989 -4.494 -6.454 1.00 0.00 H new ATOM 969 N PHE A 60 6.480 -4.834 -2.101 1.00 0.00 N ATOM 970 CA PHE A 60 5.719 -4.202 -1.026 1.00 0.00 C ATOM 971 C PHE A 60 6.420 -2.931 -0.556 1.00 0.00 C ATOM 972 O PHE A 60 5.803 -1.869 -0.466 1.00 0.00 O ATOM 973 CB PHE A 60 5.566 -5.171 0.153 1.00 0.00 C ATOM 974 CG PHE A 60 4.882 -4.468 1.305 1.00 0.00 C ATOM 975 CD1 PHE A 60 3.509 -4.195 1.241 1.00 0.00 C ATOM 976 CD2 PHE A 60 5.618 -4.091 2.437 1.00 0.00 C ATOM 977 CE1 PHE A 60 2.875 -3.543 2.304 1.00 0.00 C ATOM 978 CE2 PHE A 60 4.981 -3.439 3.500 1.00 0.00 C ATOM 979 CZ PHE A 60 3.610 -3.167 3.435 1.00 0.00 C ATOM 0 H PHE A 60 6.755 -5.799 -1.918 1.00 0.00 H new ATOM 0 HA PHE A 60 4.732 -3.943 -1.408 1.00 0.00 H new ATOM 0 HB2 PHE A 60 4.984 -6.041 -0.152 1.00 0.00 H new ATOM 0 HB3 PHE A 60 6.544 -5.536 0.466 1.00 0.00 H new ATOM 0 HD1 PHE A 60 2.940 -4.488 0.371 1.00 0.00 H new ATOM 0 HD2 PHE A 60 6.676 -4.303 2.489 1.00 0.00 H new ATOM 0 HE1 PHE A 60 1.818 -3.329 2.252 1.00 0.00 H new ATOM 0 HE2 PHE A 60 5.548 -3.146 4.371 1.00 0.00 H new ATOM 0 HZ PHE A 60 3.119 -2.667 4.257 1.00 0.00 H new ATOM 989 N ASP A 61 7.713 -3.049 -0.265 1.00 0.00 N ATOM 990 CA ASP A 61 8.493 -1.903 0.186 1.00 0.00 C ATOM 991 C ASP A 61 8.358 -0.747 -0.799 1.00 0.00 C ATOM 992 O ASP A 61 8.087 0.388 -0.406 1.00 0.00 O ATOM 993 CB ASP A 61 9.968 -2.294 0.325 1.00 0.00 C ATOM 994 CG ASP A 61 10.819 -1.057 0.614 1.00 0.00 C ATOM 995 OD1 ASP A 61 10.460 -0.307 1.509 1.00 0.00 O ATOM 996 OD2 ASP A 61 11.818 -0.877 -0.065 1.00 0.00 O ATOM 0 H ASP A 61 8.239 -3.921 -0.333 1.00 0.00 H new ATOM 0 HA ASP A 61 8.112 -1.585 1.157 1.00 0.00 H new ATOM 0 HB2 ASP A 61 10.085 -3.020 1.129 1.00 0.00 H new ATOM 0 HB3 ASP A 61 10.312 -2.775 -0.591 1.00 0.00 H new ATOM 1001 N GLU A 62 8.548 -1.051 -2.081 1.00 0.00 N ATOM 1002 CA GLU A 62 8.451 -0.040 -3.128 1.00 0.00 C ATOM 1003 C GLU A 62 7.035 0.524 -3.210 1.00 0.00 C ATOM 1004 O GLU A 62 6.850 1.734 -3.348 1.00 0.00 O ATOM 1005 CB GLU A 62 8.837 -0.657 -4.475 1.00 0.00 C ATOM 1006 CG GLU A 62 8.995 0.445 -5.526 1.00 0.00 C ATOM 1007 CD GLU A 62 10.387 1.062 -5.426 1.00 0.00 C ATOM 1008 OE1 GLU A 62 11.312 0.480 -5.969 1.00 0.00 O ATOM 1009 OE2 GLU A 62 10.508 2.106 -4.806 1.00 0.00 O ATOM 0 H GLU A 62 8.770 -1.988 -2.418 1.00 0.00 H new ATOM 0 HA GLU A 62 9.134 0.775 -2.886 1.00 0.00 H new ATOM 0 HB2 GLU A 62 9.769 -1.214 -4.376 1.00 0.00 H new ATOM 0 HB3 GLU A 62 8.073 -1.367 -4.792 1.00 0.00 H new ATOM 0 HG2 GLU A 62 8.841 0.033 -6.523 1.00 0.00 H new ATOM 0 HG3 GLU A 62 8.236 1.213 -5.377 1.00 0.00 H new ATOM 1016 N ALA A 63 6.040 -0.355 -3.122 1.00 0.00 N ATOM 1017 CA ALA A 63 4.649 0.077 -3.189 1.00 0.00 C ATOM 1018 C ALA A 63 4.342 1.042 -2.049 1.00 0.00 C ATOM 1019 O ALA A 63 3.771 2.112 -2.268 1.00 0.00 O ATOM 1020 CB ALA A 63 3.718 -1.136 -3.099 1.00 0.00 C ATOM 0 H ALA A 63 6.170 -1.360 -3.005 1.00 0.00 H new ATOM 0 HA ALA A 63 4.487 0.585 -4.140 1.00 0.00 H new ATOM 0 HB1 ALA A 63 2.681 -0.803 -3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 63 3.923 -1.814 -3.928 1.00 0.00 H new ATOM 0 HB3 ALA A 63 3.887 -1.655 -2.155 1.00 0.00 H new ATOM 1026 N TRP A 64 4.740 0.665 -0.835 1.00 0.00 N ATOM 1027 CA TRP A 64 4.520 1.512 0.331 1.00 0.00 C ATOM 1028 C TRP A 64 5.156 2.883 0.120 1.00 0.00 C ATOM 1029 O TRP A 64 4.531 3.913 0.375 1.00 0.00 O ATOM 1030 CB TRP A 64 5.103 0.858 1.586 1.00 0.00 C ATOM 1031 CG TRP A 64 4.570 1.553 2.800 1.00 0.00 C ATOM 1032 CD1 TRP A 64 5.105 2.665 3.358 1.00 0.00 C ATOM 1033 CD2 TRP A 64 3.410 1.207 3.613 1.00 0.00 C ATOM 1034 NE1 TRP A 64 4.347 3.022 4.459 1.00 0.00 N ATOM 1035 CE2 TRP A 64 3.292 2.153 4.658 1.00 0.00 C ATOM 1036 CE3 TRP A 64 2.457 0.171 3.546 1.00 0.00 C ATOM 1037 CZ2 TRP A 64 2.266 2.077 5.602 1.00 0.00 C ATOM 1038 CZ3 TRP A 64 1.425 0.092 4.496 1.00 0.00 C ATOM 1039 CH2 TRP A 64 1.330 1.043 5.521 1.00 0.00 C ATOM 0 H TRP A 64 5.213 -0.216 -0.636 1.00 0.00 H new ATOM 0 HA TRP A 64 3.445 1.636 0.465 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.841 -0.200 1.614 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.191 0.916 1.568 1.00 0.00 H new ATOM 0 HD1 TRP A 64 5.980 3.188 3.002 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.543 3.829 5.052 1.00 0.00 H new ATOM 0 HE3 TRP A 64 2.520 -0.567 2.760 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.196 2.813 6.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 0.700 -0.707 4.436 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.534 0.977 6.248 1.00 0.00 H new ATOM 1050 N ASP A 65 6.406 2.885 -0.351 1.00 0.00 N ATOM 1051 CA ASP A 65 7.120 4.135 -0.597 1.00 0.00 C ATOM 1052 C ASP A 65 6.282 5.059 -1.474 1.00 0.00 C ATOM 1053 O ASP A 65 6.191 6.261 -1.218 1.00 0.00 O ATOM 1054 CB ASP A 65 8.463 3.855 -1.284 1.00 0.00 C ATOM 1055 CG ASP A 65 9.344 2.968 -0.401 1.00 0.00 C ATOM 1056 OD1 ASP A 65 9.300 3.129 0.808 1.00 0.00 O ATOM 1057 OD2 ASP A 65 10.054 2.141 -0.950 1.00 0.00 O ATOM 0 H ASP A 65 6.938 2.042 -0.567 1.00 0.00 H new ATOM 0 HA ASP A 65 7.303 4.620 0.362 1.00 0.00 H new ATOM 0 HB2 ASP A 65 8.292 3.367 -2.244 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.975 4.795 -1.491 1.00 0.00 H new ATOM 1062 N GLN A 66 5.665 4.484 -2.504 1.00 0.00 N ATOM 1063 CA GLN A 66 4.827 5.255 -3.416 1.00 0.00 C ATOM 1064 C GLN A 66 3.529 5.666 -2.725 1.00 0.00 C ATOM 1065 O GLN A 66 3.084 6.806 -2.855 1.00 0.00 O ATOM 1066 CB GLN A 66 4.506 4.422 -4.661 1.00 0.00 C ATOM 1067 CG GLN A 66 4.111 5.347 -5.817 1.00 0.00 C ATOM 1068 CD GLN A 66 5.348 5.751 -6.613 1.00 0.00 C ATOM 1069 OE1 GLN A 66 5.572 6.936 -6.855 1.00 0.00 O ATOM 1070 NE2 GLN A 66 6.170 4.829 -7.039 1.00 0.00 N ATOM 0 H GLN A 66 5.730 3.491 -2.726 1.00 0.00 H new ATOM 0 HA GLN A 66 5.370 6.153 -3.712 1.00 0.00 H new ATOM 0 HB2 GLN A 66 5.372 3.823 -4.942 1.00 0.00 H new ATOM 0 HB3 GLN A 66 3.694 3.727 -4.446 1.00 0.00 H new ATOM 0 HG2 GLN A 66 3.398 4.842 -6.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.613 6.235 -5.428 1.00 0.00 H new ATOM 0 HE21 GLN A 66 5.983 3.847 -6.838 1.00 0.00 H new ATOM 0 HE22 GLN A 66 6.999 5.092 -7.573 1.00 0.00 H new ATOM 1079 N TYR A 67 2.930 4.729 -1.992 1.00 0.00 N ATOM 1080 CA TYR A 67 1.684 5.006 -1.284 1.00 0.00 C ATOM 1081 C TYR A 67 1.839 6.233 -0.392 1.00 0.00 C ATOM 1082 O TYR A 67 1.111 7.215 -0.540 1.00 0.00 O ATOM 1083 CB TYR A 67 1.284 3.794 -0.434 1.00 0.00 C ATOM 1084 CG TYR A 67 0.113 4.154 0.454 1.00 0.00 C ATOM 1085 CD1 TYR A 67 -1.095 4.574 -0.116 1.00 0.00 C ATOM 1086 CD2 TYR A 67 0.235 4.064 1.847 1.00 0.00 C ATOM 1087 CE1 TYR A 67 -2.180 4.904 0.705 1.00 0.00 C ATOM 1088 CE2 TYR A 67 -0.851 4.395 2.667 1.00 0.00 C ATOM 1089 CZ TYR A 67 -2.059 4.814 2.096 1.00 0.00 C ATOM 1090 OH TYR A 67 -3.130 5.135 2.903 1.00 0.00 O ATOM 0 H TYR A 67 3.284 3.780 -1.874 1.00 0.00 H new ATOM 0 HA TYR A 67 0.904 5.203 -2.019 1.00 0.00 H new ATOM 0 HB2 TYR A 67 1.018 2.957 -1.080 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.128 3.471 0.175 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -1.190 4.643 -1.190 1.00 0.00 H new ATOM 0 HD2 TYR A 67 1.166 3.740 2.288 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -3.111 5.228 0.264 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -0.757 4.327 3.741 1.00 0.00 H new ATOM 0 HH TYR A 67 -3.962 4.846 2.473 1.00 0.00 H new ATOM 1100 N GLU A 68 2.800 6.172 0.527 1.00 0.00 N ATOM 1101 CA GLU A 68 3.054 7.284 1.437 1.00 0.00 C ATOM 1102 C GLU A 68 3.314 8.567 0.657 1.00 0.00 C ATOM 1103 O GLU A 68 2.817 9.628 1.015 1.00 0.00 O ATOM 1104 CB GLU A 68 4.263 6.967 2.322 1.00 0.00 C ATOM 1105 CG GLU A 68 4.604 8.188 3.185 1.00 0.00 C ATOM 1106 CD GLU A 68 5.484 7.771 4.361 1.00 0.00 C ATOM 1107 OE1 GLU A 68 4.996 7.051 5.217 1.00 0.00 O ATOM 1108 OE2 GLU A 68 6.633 8.181 4.390 1.00 0.00 O ATOM 0 H GLU A 68 3.413 5.368 0.660 1.00 0.00 H new ATOM 0 HA GLU A 68 2.173 7.427 2.062 1.00 0.00 H new ATOM 0 HB2 GLU A 68 4.046 6.109 2.958 1.00 0.00 H new ATOM 0 HB3 GLU A 68 5.118 6.696 1.703 1.00 0.00 H new ATOM 0 HG2 GLU A 68 5.119 8.936 2.583 1.00 0.00 H new ATOM 0 HG3 GLU A 68 3.688 8.650 3.552 1.00 0.00 H new ATOM 1115 N SER A 69 4.104 8.456 -0.406 1.00 0.00 N ATOM 1116 CA SER A 69 4.441 9.611 -1.234 1.00 0.00 C ATOM 1117 C SER A 69 3.185 10.295 -1.771 1.00 0.00 C ATOM 1118 O SER A 69 3.187 11.504 -2.008 1.00 0.00 O ATOM 1119 CB SER A 69 5.323 9.167 -2.401 1.00 0.00 C ATOM 1120 OG SER A 69 5.653 10.297 -3.199 1.00 0.00 O ATOM 0 H SER A 69 4.523 7.579 -0.715 1.00 0.00 H new ATOM 0 HA SER A 69 4.979 10.328 -0.614 1.00 0.00 H new ATOM 0 HB2 SER A 69 6.231 8.695 -2.026 1.00 0.00 H new ATOM 0 HB3 SER A 69 4.802 8.423 -3.003 1.00 0.00 H new ATOM 0 HG SER A 69 6.220 10.015 -3.947 1.00 0.00 H new ATOM 1126 N GLU A 70 2.122 9.520 -1.972 1.00 0.00 N ATOM 1127 CA GLU A 70 0.875 10.075 -2.494 1.00 0.00 C ATOM 1128 C GLU A 70 0.046 10.701 -1.376 1.00 0.00 C ATOM 1129 O GLU A 70 -0.684 11.667 -1.602 1.00 0.00 O ATOM 1130 CB GLU A 70 0.063 8.969 -3.174 1.00 0.00 C ATOM 1131 CG GLU A 70 0.938 8.259 -4.215 1.00 0.00 C ATOM 1132 CD GLU A 70 0.499 8.640 -5.629 1.00 0.00 C ATOM 1133 OE1 GLU A 70 0.353 9.825 -5.885 1.00 0.00 O ATOM 1134 OE2 GLU A 70 0.320 7.742 -6.436 1.00 0.00 O ATOM 0 H GLU A 70 2.098 8.518 -1.784 1.00 0.00 H new ATOM 0 HA GLU A 70 1.122 10.851 -3.218 1.00 0.00 H new ATOM 0 HB2 GLU A 70 -0.290 8.254 -2.431 1.00 0.00 H new ATOM 0 HB3 GLU A 70 -0.819 9.393 -3.653 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.983 8.530 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 70 0.867 7.179 -4.084 1.00 0.00 H new ATOM 1141 N VAL A 71 0.172 10.154 -0.171 1.00 0.00 N ATOM 1142 CA VAL A 71 -0.560 10.678 0.982 1.00 0.00 C ATOM 1143 C VAL A 71 0.285 11.718 1.713 1.00 0.00 C ATOM 1144 O VAL A 71 -0.225 12.502 2.515 1.00 0.00 O ATOM 1145 CB VAL A 71 -0.921 9.536 1.940 1.00 0.00 C ATOM 1146 CG1 VAL A 71 -2.133 9.938 2.788 1.00 0.00 C ATOM 1147 CG2 VAL A 71 -1.259 8.273 1.135 1.00 0.00 C ATOM 0 H VAL A 71 0.769 9.353 0.034 1.00 0.00 H new ATOM 0 HA VAL A 71 -1.477 11.150 0.629 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.072 9.334 2.593 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -2.387 9.125 3.468 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -1.893 10.831 3.365 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -2.981 10.144 2.135 1.00 0.00 H new ATOM 0 HG21 VAL A 71 -1.515 7.464 1.819 1.00 0.00 H new ATOM 0 HG22 VAL A 71 -2.106 8.475 0.479 1.00 0.00 H new ATOM 0 HG23 VAL A 71 -0.397 7.982 0.535 1.00 0.00 H new ATOM 1157 N HIS A 72 1.583 11.705 1.426 1.00 0.00 N ATOM 1158 CA HIS A 72 2.526 12.630 2.046 1.00 0.00 C ATOM 1159 C HIS A 72 2.432 14.012 1.395 1.00 0.00 C ATOM 1160 O HIS A 72 3.048 14.973 1.862 1.00 0.00 O ATOM 1161 CB HIS A 72 3.948 12.068 1.901 1.00 0.00 C ATOM 1162 CG HIS A 72 4.951 13.031 2.480 1.00 0.00 C ATOM 1163 ND1 HIS A 72 4.852 13.513 3.776 1.00 0.00 N ATOM 1164 CD2 HIS A 72 6.079 13.605 1.950 1.00 0.00 C ATOM 1165 CE1 HIS A 72 5.895 14.338 3.981 1.00 0.00 C ATOM 1166 NE2 HIS A 72 6.674 14.430 2.900 1.00 0.00 N ATOM 0 H HIS A 72 2.009 11.058 0.762 1.00 0.00 H new ATOM 0 HA HIS A 72 2.282 12.738 3.103 1.00 0.00 H new ATOM 0 HB2 HIS A 72 4.020 11.107 2.410 1.00 0.00 H new ATOM 0 HB3 HIS A 72 4.170 11.889 0.849 1.00 0.00 H new ATOM 0 HD2 HIS A 72 6.449 13.442 0.949 1.00 0.00 H new ATOM 0 HE1 HIS A 72 6.080 14.862 4.907 1.00 0.00 H new ATOM 0 HE2 HIS A 72 7.523 14.986 2.794 1.00 0.00 H new ATOM 1175 N GLY A 73 1.657 14.100 0.314 1.00 0.00 N ATOM 1176 CA GLY A 73 1.484 15.363 -0.400 1.00 0.00 C ATOM 1177 C GLY A 73 1.090 16.492 0.550 1.00 0.00 C ATOM 1178 O GLY A 73 1.622 17.599 0.464 1.00 0.00 O ATOM 0 H GLY A 73 1.142 13.315 -0.084 1.00 0.00 H new ATOM 0 HA2 GLY A 73 2.411 15.623 -0.912 1.00 0.00 H new ATOM 0 HA3 GLY A 73 0.718 15.247 -1.167 1.00 0.00 H new