USER MOD reduce.3.24.130724 H: found=0, std=0, add=627, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 626 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 54 GLN : amide:sc= -2.42! C(o=-3.1!,f=-10!) USER MOD Set 1.2: A 56 THR OG1 : rot -176:sc= -0.729! USER MOD Set 2.1: A 15 ASN : amide:sc= -9.33! C(o=-11!,f=-7.5!) USER MOD Set 2.2: A 17 HIS : no HE2:sc= -1.44 K(o=-11,f=-12!) USER MOD Set 3.1: A 16 SER OG : rot 170:sc= -4.77! USER MOD Set 3.2: A 59 HIS : no HE2:sc= -2.97 X(o=-7.7,f=-7.3) USER MOD Set 4.1: A 6 THR OG1 : rot -40:sc= -1.46! USER MOD Set 4.2: A 14 ASN : amide:sc= -24.3! C(o=-26!,f=-24!) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0.121 USER MOD Single : A 8 CYS SG : rot 180:sc= -0.651 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 HIS : no HD1:sc= 0 X(o=0,f=-0.0037) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc=-0.00365 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.00118) USER MOD Single : A 40 ASN : amide:sc= -3.14! C(o=-3.1!,f=-8.2!) USER MOD Single : A 42 SER OG : rot -141:sc= 0.248! USER MOD Single : A 47 SER OG : rot 180:sc= -0.665 USER MOD Single : A 49 CYS SG : rot 180:sc=-0.000425 USER MOD Single : A 51 SER OG : rot 14:sc= 0.766 USER MOD Single : A 52 THR OG1 : rot 56:sc= -0.864! USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 65 HIS : no HE2:sc= -29.1! C(o=-29!,f=-27!) USER MOD Single : A 67 GLN : amide:sc= -2.05 K(o=-2.1,f=-9.4!) USER MOD Single : A 71 LYS NZ :NH3+ 171:sc= 0.203 (180deg=0.172) USER MOD Single : A 72 THR OG1 : rot 42:sc= 0.0509 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.915 USER MOD Single : A 79 THR OG1 : rot 114:sc= -2.88! USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 3.200 15.632 6.521 1.00 0.00 N ATOM 2 CA GLY A 1 4.282 14.764 5.981 1.00 0.00 C ATOM 3 C GLY A 1 4.625 15.090 4.540 1.00 0.00 C ATOM 4 O GLY A 1 4.605 16.253 4.138 1.00 0.00 O ATOM 0 H1 GLY A 1 3.004 15.369 7.508 1.00 0.00 H new ATOM 0 H2 GLY A 1 3.501 16.627 6.481 1.00 0.00 H new ATOM 0 H3 GLY A 1 2.339 15.508 5.952 1.00 0.00 H new ATOM 0 HA2 GLY A 1 5.174 14.875 6.597 1.00 0.00 H new ATOM 0 HA3 GLY A 1 3.975 13.721 6.051 1.00 0.00 H new ATOM 10 N SER A 2 4.939 14.060 3.761 1.00 0.00 N ATOM 11 CA SER A 2 5.287 14.240 2.356 1.00 0.00 C ATOM 12 C SER A 2 4.140 14.898 1.591 1.00 0.00 C ATOM 13 O SER A 2 3.046 15.074 2.129 1.00 0.00 O ATOM 14 CB SER A 2 5.636 12.892 1.720 1.00 0.00 C ATOM 15 OG SER A 2 5.856 11.901 2.709 1.00 0.00 O ATOM 0 H SER A 2 4.960 13.091 4.079 1.00 0.00 H new ATOM 0 HA SER A 2 6.157 14.895 2.302 1.00 0.00 H new ATOM 0 HB2 SER A 2 4.827 12.578 1.060 1.00 0.00 H new ATOM 0 HB3 SER A 2 6.528 12.998 1.103 1.00 0.00 H new ATOM 0 HG SER A 2 6.075 11.050 2.276 1.00 0.00 H new ATOM 21 N PRO A 3 4.375 15.273 0.320 1.00 0.00 N ATOM 22 CA PRO A 3 3.356 15.914 -0.516 1.00 0.00 C ATOM 23 C PRO A 3 2.325 14.925 -1.059 1.00 0.00 C ATOM 24 O PRO A 3 1.412 15.308 -1.790 1.00 0.00 O ATOM 25 CB PRO A 3 4.176 16.515 -1.656 1.00 0.00 C ATOM 26 CG PRO A 3 5.351 15.611 -1.789 1.00 0.00 C ATOM 27 CD PRO A 3 5.653 15.104 -0.401 1.00 0.00 C ATOM 0 HA PRO A 3 2.769 16.642 0.044 1.00 0.00 H new ATOM 0 HB2 PRO A 3 3.600 16.555 -2.580 1.00 0.00 H new ATOM 0 HB3 PRO A 3 4.484 17.535 -1.428 1.00 0.00 H new ATOM 0 HG2 PRO A 3 5.132 14.785 -2.466 1.00 0.00 H new ATOM 0 HG3 PRO A 3 6.207 16.144 -2.203 1.00 0.00 H new ATOM 0 HD2 PRO A 3 5.969 14.061 -0.416 1.00 0.00 H new ATOM 0 HD3 PRO A 3 6.455 15.674 0.068 1.00 0.00 H new ATOM 35 N GLY A 4 2.473 13.652 -0.698 1.00 0.00 N ATOM 36 CA GLY A 4 1.544 12.635 -1.160 1.00 0.00 C ATOM 37 C GLY A 4 2.119 11.229 -1.010 1.00 0.00 C ATOM 38 O GLY A 4 3.246 11.092 -0.538 1.00 0.00 O ATOM 0 H GLY A 4 3.219 13.307 -0.094 1.00 0.00 H new ATOM 0 HA2 GLY A 4 0.614 12.709 -0.596 1.00 0.00 H new ATOM 0 HA3 GLY A 4 1.297 12.817 -2.206 1.00 0.00 H new ATOM 42 N PHE A 5 1.353 10.185 -1.407 1.00 0.00 N ATOM 43 CA PHE A 5 1.775 8.786 -1.320 1.00 0.00 C ATOM 44 C PHE A 5 0.773 7.993 -0.494 1.00 0.00 C ATOM 45 O PHE A 5 1.117 7.003 0.153 1.00 0.00 O ATOM 46 CB PHE A 5 3.187 8.584 -0.769 1.00 0.00 C ATOM 47 CG PHE A 5 3.314 8.762 0.720 1.00 0.00 C ATOM 48 CD1 PHE A 5 2.358 9.463 1.438 1.00 0.00 C ATOM 49 CD2 PHE A 5 4.399 8.233 1.397 1.00 0.00 C ATOM 50 CE1 PHE A 5 2.480 9.630 2.803 1.00 0.00 C ATOM 51 CE2 PHE A 5 4.530 8.398 2.763 1.00 0.00 C ATOM 52 CZ PHE A 5 3.568 9.098 3.467 1.00 0.00 C ATOM 0 H PHE A 5 0.418 10.302 -1.799 1.00 0.00 H new ATOM 0 HA PHE A 5 1.803 8.418 -2.346 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.524 7.581 -1.031 1.00 0.00 H new ATOM 0 HB3 PHE A 5 3.859 9.286 -1.263 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.507 9.884 0.923 1.00 0.00 H new ATOM 0 HD2 PHE A 5 5.153 7.685 0.851 1.00 0.00 H new ATOM 0 HE1 PHE A 5 1.726 10.176 3.351 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.382 7.981 3.279 1.00 0.00 H new ATOM 0 HZ PHE A 5 3.667 9.229 4.534 1.00 0.00 H new ATOM 62 N THR A 6 -0.479 8.442 -0.546 1.00 0.00 N ATOM 63 CA THR A 6 -1.561 7.804 0.160 1.00 0.00 C ATOM 64 C THR A 6 -2.071 6.547 -0.569 1.00 0.00 C ATOM 65 O THR A 6 -3.258 6.355 -0.773 1.00 0.00 O ATOM 66 CB THR A 6 -2.615 8.891 0.504 1.00 0.00 C ATOM 67 OG1 THR A 6 -2.523 9.224 1.875 1.00 0.00 O ATOM 68 CG2 THR A 6 -4.069 8.567 0.246 1.00 0.00 C ATOM 0 H THR A 6 -0.761 9.262 -1.084 1.00 0.00 H new ATOM 0 HA THR A 6 -1.229 7.386 1.110 1.00 0.00 H new ATOM 0 HB THR A 6 -2.356 9.698 -0.182 1.00 0.00 H new ATOM 0 HG1 THR A 6 -2.364 8.411 2.399 1.00 0.00 H new ATOM 0 HG21 THR A 6 -4.688 9.417 0.533 1.00 0.00 H new ATOM 0 HG22 THR A 6 -4.212 8.355 -0.814 1.00 0.00 H new ATOM 0 HG23 THR A 6 -4.357 7.694 0.832 1.00 0.00 H new ATOM 76 N CYS A 7 -1.121 5.642 -0.885 1.00 0.00 N ATOM 77 CA CYS A 7 -1.429 4.356 -1.525 1.00 0.00 C ATOM 78 C CYS A 7 -1.957 4.548 -2.932 1.00 0.00 C ATOM 79 O CYS A 7 -3.092 4.957 -3.101 1.00 0.00 O ATOM 80 CB CYS A 7 -2.473 3.596 -0.692 1.00 0.00 C ATOM 81 SG CYS A 7 -2.980 1.985 -1.361 1.00 0.00 S ATOM 0 H CYS A 7 -0.128 5.785 -0.703 1.00 0.00 H new ATOM 0 HA CYS A 7 -0.504 3.782 -1.580 1.00 0.00 H new ATOM 0 HB2 CYS A 7 -2.073 3.445 0.311 1.00 0.00 H new ATOM 0 HB3 CYS A 7 -3.359 4.223 -0.590 1.00 0.00 H new ATOM 86 N CYS A 8 -1.147 4.244 -3.948 1.00 0.00 N ATOM 87 CA CYS A 8 -1.603 4.394 -5.330 1.00 0.00 C ATOM 88 C CYS A 8 -2.915 3.650 -5.492 1.00 0.00 C ATOM 89 O CYS A 8 -2.967 2.545 -6.025 1.00 0.00 O ATOM 90 CB CYS A 8 -0.567 3.869 -6.312 1.00 0.00 C ATOM 91 SG CYS A 8 -1.087 3.935 -8.044 1.00 0.00 S ATOM 0 H CYS A 8 -0.192 3.900 -3.844 1.00 0.00 H new ATOM 0 HA CYS A 8 -1.747 5.452 -5.547 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.351 4.446 -6.198 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -0.329 2.837 -6.055 1.00 0.00 H new ATOM 0 HG CYS A 8 -0.138 3.469 -8.800 1.00 0.00 H new ATOM 97 N VAL A 9 -3.953 4.258 -4.949 1.00 0.00 N ATOM 98 CA VAL A 9 -5.282 3.686 -4.925 1.00 0.00 C ATOM 99 C VAL A 9 -6.061 3.882 -6.212 1.00 0.00 C ATOM 100 O VAL A 9 -6.635 4.946 -6.445 1.00 0.00 O ATOM 101 CB VAL A 9 -6.079 4.296 -3.752 1.00 0.00 C ATOM 102 CG1 VAL A 9 -7.564 3.962 -3.820 1.00 0.00 C ATOM 103 CG2 VAL A 9 -5.487 3.830 -2.452 1.00 0.00 C ATOM 0 H VAL A 9 -3.894 5.175 -4.507 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.152 2.611 -4.802 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.003 5.381 -3.823 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -8.078 4.415 -2.972 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -7.982 4.351 -4.748 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -7.695 2.880 -3.788 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -6.048 4.259 -1.622 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.536 2.742 -2.399 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -4.447 4.150 -2.391 1.00 0.00 H new ATOM 113 N PRO A 10 -6.159 2.829 -7.035 1.00 0.00 N ATOM 114 CA PRO A 10 -6.949 2.880 -8.252 1.00 0.00 C ATOM 115 C PRO A 10 -8.432 2.828 -7.897 1.00 0.00 C ATOM 116 O PRO A 10 -9.293 3.170 -8.708 1.00 0.00 O ATOM 117 CB PRO A 10 -6.526 1.618 -8.997 1.00 0.00 C ATOM 118 CG PRO A 10 -6.197 0.662 -7.909 1.00 0.00 C ATOM 119 CD PRO A 10 -5.571 1.490 -6.818 1.00 0.00 C ATOM 0 HA PRO A 10 -6.797 3.785 -8.840 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -7.327 1.241 -9.633 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.667 1.802 -9.642 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -7.092 0.153 -7.550 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -5.510 -0.109 -8.259 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -5.810 1.100 -5.829 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -4.484 1.509 -6.899 1.00 0.00 H new ATOM 127 N GLY A 11 -8.720 2.392 -6.658 1.00 0.00 N ATOM 128 CA GLY A 11 -10.096 2.302 -6.209 1.00 0.00 C ATOM 129 C GLY A 11 -10.277 2.036 -4.710 1.00 0.00 C ATOM 130 O GLY A 11 -11.408 2.098 -4.226 1.00 0.00 O ATOM 0 H GLY A 11 -8.024 2.104 -5.970 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -10.605 3.232 -6.461 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -10.592 1.507 -6.765 1.00 0.00 H new ATOM 134 N CYS A 12 -9.207 1.726 -3.956 1.00 0.00 N ATOM 135 CA CYS A 12 -9.386 1.452 -2.523 1.00 0.00 C ATOM 136 C CYS A 12 -9.764 2.719 -1.717 1.00 0.00 C ATOM 137 O CYS A 12 -10.693 3.431 -2.097 1.00 0.00 O ATOM 138 CB CYS A 12 -8.201 0.676 -1.886 1.00 0.00 C ATOM 139 SG CYS A 12 -6.527 1.063 -2.473 1.00 0.00 S ATOM 0 H CYS A 12 -8.248 1.661 -4.298 1.00 0.00 H new ATOM 0 HA CYS A 12 -10.241 0.778 -2.464 1.00 0.00 H new ATOM 0 HB2 CYS A 12 -8.227 0.848 -0.810 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -8.374 -0.389 -2.043 1.00 0.00 H new ATOM 144 N TYR A 13 -9.105 2.962 -0.570 1.00 0.00 N ATOM 145 CA TYR A 13 -9.456 4.093 0.301 1.00 0.00 C ATOM 146 C TYR A 13 -9.100 5.476 -0.310 1.00 0.00 C ATOM 147 O TYR A 13 -9.917 6.110 -0.979 1.00 0.00 O ATOM 148 CB TYR A 13 -8.806 3.915 1.688 1.00 0.00 C ATOM 149 CG TYR A 13 -9.691 4.382 2.837 1.00 0.00 C ATOM 150 CD1 TYR A 13 -11.074 4.234 2.786 1.00 0.00 C ATOM 151 CD2 TYR A 13 -9.144 4.974 3.971 1.00 0.00 C ATOM 152 CE1 TYR A 13 -11.879 4.659 3.827 1.00 0.00 C ATOM 153 CE2 TYR A 13 -9.944 5.402 5.014 1.00 0.00 C ATOM 154 CZ TYR A 13 -11.310 5.241 4.937 1.00 0.00 C ATOM 155 OH TYR A 13 -12.109 5.667 5.974 1.00 0.00 O ATOM 0 H TYR A 13 -8.331 2.393 -0.228 1.00 0.00 H new ATOM 0 HA TYR A 13 -10.541 4.086 0.406 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -8.560 2.863 1.833 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -7.867 4.468 1.715 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -11.527 3.779 1.917 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -8.074 5.102 4.038 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -12.950 4.535 3.769 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -9.500 5.861 5.885 1.00 0.00 H new ATOM 0 HH TYR A 13 -11.550 6.053 6.680 1.00 0.00 H new ATOM 165 N ASN A 14 -7.882 5.920 -0.024 1.00 0.00 N ATOM 166 CA ASN A 14 -7.305 7.207 -0.441 1.00 0.00 C ATOM 167 C ASN A 14 -5.998 6.889 -1.199 1.00 0.00 C ATOM 168 O ASN A 14 -5.491 5.797 -1.002 1.00 0.00 O ATOM 169 CB ASN A 14 -7.093 8.067 0.796 1.00 0.00 C ATOM 170 CG ASN A 14 -6.429 7.256 1.892 1.00 0.00 C ATOM 171 OD1 ASN A 14 -5.319 7.527 2.303 1.00 0.00 O ATOM 172 ND2 ASN A 14 -7.173 6.264 2.393 1.00 0.00 N ATOM 0 H ASN A 14 -7.230 5.368 0.534 1.00 0.00 H new ATOM 0 HA ASN A 14 -7.957 7.773 -1.106 1.00 0.00 H new ATOM 0 HB2 ASN A 14 -6.475 8.929 0.546 1.00 0.00 H new ATOM 0 HB3 ASN A 14 -8.050 8.452 1.148 1.00 0.00 H new ATOM 0 HD21 ASN A 14 -6.813 5.693 3.158 1.00 0.00 H new ATOM 0 HD22 ASN A 14 -8.100 6.079 2.010 1.00 0.00 H new ATOM 179 N ASN A 15 -5.489 7.736 -2.133 1.00 0.00 N ATOM 180 CA ASN A 15 -4.313 7.303 -2.936 1.00 0.00 C ATOM 181 C ASN A 15 -2.952 8.029 -2.698 1.00 0.00 C ATOM 182 O ASN A 15 -2.886 9.035 -2.006 1.00 0.00 O ATOM 183 CB ASN A 15 -4.696 7.286 -4.439 1.00 0.00 C ATOM 184 CG ASN A 15 -3.565 7.655 -5.383 1.00 0.00 C ATOM 185 OD1 ASN A 15 -3.115 6.833 -6.179 1.00 0.00 O ATOM 186 ND2 ASN A 15 -3.115 8.899 -5.316 1.00 0.00 N ATOM 0 H ASN A 15 -5.848 8.668 -2.342 1.00 0.00 H new ATOM 0 HA ASN A 15 -4.091 6.303 -2.564 1.00 0.00 H new ATOM 0 HB2 ASN A 15 -5.057 6.291 -4.697 1.00 0.00 H new ATOM 0 HB3 ASN A 15 -5.524 7.977 -4.597 1.00 0.00 H new ATOM 0 HD21 ASN A 15 -2.368 9.205 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 15 -3.515 9.551 -4.641 1.00 0.00 H new ATOM 193 N SER A 16 -1.835 7.427 -3.250 1.00 0.00 N ATOM 194 CA SER A 16 -0.484 7.890 -3.059 1.00 0.00 C ATOM 195 C SER A 16 -0.235 9.327 -3.539 1.00 0.00 C ATOM 196 O SER A 16 0.908 9.684 -3.823 1.00 0.00 O ATOM 197 CB SER A 16 0.522 6.927 -3.745 1.00 0.00 C ATOM 198 OG SER A 16 1.668 6.711 -2.943 1.00 0.00 O ATOM 0 H SER A 16 -1.894 6.598 -3.841 1.00 0.00 H new ATOM 0 HA SER A 16 -0.329 7.897 -1.980 1.00 0.00 H new ATOM 0 HB2 SER A 16 0.034 5.974 -3.947 1.00 0.00 H new ATOM 0 HB3 SER A 16 0.824 7.341 -4.707 1.00 0.00 H new ATOM 0 HG SER A 16 2.202 5.983 -3.324 1.00 0.00 H new ATOM 204 N HIS A 17 -1.275 10.162 -3.614 1.00 0.00 N ATOM 205 CA HIS A 17 -1.100 11.556 -4.038 1.00 0.00 C ATOM 206 C HIS A 17 -2.437 12.282 -4.242 1.00 0.00 C ATOM 207 O HIS A 17 -2.660 12.888 -5.290 1.00 0.00 O ATOM 208 CB HIS A 17 -0.262 11.646 -5.322 1.00 0.00 C ATOM 209 CG HIS A 17 -0.817 10.868 -6.473 1.00 0.00 C ATOM 210 ND1 HIS A 17 -1.996 11.199 -7.112 1.00 0.00 N ATOM 211 CD2 HIS A 17 -0.341 9.771 -7.113 1.00 0.00 C ATOM 212 CE1 HIS A 17 -2.220 10.340 -8.090 1.00 0.00 C ATOM 213 NE2 HIS A 17 -1.232 9.464 -8.113 1.00 0.00 N ATOM 0 H HIS A 17 -2.236 9.903 -3.390 1.00 0.00 H new ATOM 0 HA HIS A 17 -0.570 12.055 -3.227 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -0.176 12.693 -5.614 1.00 0.00 H new ATOM 0 HB3 HIS A 17 0.746 11.290 -5.110 1.00 0.00 H new ATOM 0 HD1 HIS A 17 -2.599 11.984 -6.867 1.00 0.00 H new ATOM 0 HD2 HIS A 17 0.569 9.238 -6.880 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -3.068 10.352 -8.758 1.00 0.00 H new ATOM 222 N ARG A 18 -3.320 12.244 -3.238 1.00 0.00 N ATOM 223 CA ARG A 18 -4.609 12.934 -3.350 1.00 0.00 C ATOM 224 C ARG A 18 -5.400 12.952 -2.035 1.00 0.00 C ATOM 225 O ARG A 18 -6.609 13.186 -2.045 1.00 0.00 O ATOM 226 CB ARG A 18 -5.456 12.306 -4.459 1.00 0.00 C ATOM 227 CG ARG A 18 -5.987 10.920 -4.126 1.00 0.00 C ATOM 228 CD ARG A 18 -6.828 10.364 -5.263 1.00 0.00 C ATOM 229 NE ARG A 18 -8.254 10.609 -5.060 1.00 0.00 N ATOM 230 CZ ARG A 18 -9.209 10.113 -5.843 1.00 0.00 C ATOM 231 NH1 ARG A 18 -8.894 9.349 -6.883 1.00 0.00 N ATOM 232 NH2 ARG A 18 -10.482 10.382 -5.588 1.00 0.00 N ATOM 0 H ARG A 18 -3.171 11.754 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.383 13.971 -3.599 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.298 12.964 -4.675 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -4.858 12.245 -5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.153 10.247 -3.925 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.586 10.966 -3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.512 10.818 -6.203 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.654 9.292 -5.352 1.00 0.00 H new ATOM 0 HE ARG A 18 -8.534 11.194 -4.273 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.916 9.140 -7.085 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.630 8.971 -7.480 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -10.730 10.969 -4.792 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.214 10.002 -6.188 1.00 0.00 H new ATOM 246 N ASP A 19 -4.726 12.722 -0.909 1.00 0.00 N ATOM 247 CA ASP A 19 -5.386 12.729 0.397 1.00 0.00 C ATOM 248 C ASP A 19 -4.369 12.928 1.519 1.00 0.00 C ATOM 249 O ASP A 19 -4.205 14.032 2.041 1.00 0.00 O ATOM 250 CB ASP A 19 -6.156 11.424 0.612 1.00 0.00 C ATOM 251 CG ASP A 19 -7.328 11.273 -0.337 1.00 0.00 C ATOM 252 OD1 ASP A 19 -8.294 12.056 -0.217 1.00 0.00 O ATOM 253 OD2 ASP A 19 -7.281 10.370 -1.199 1.00 0.00 O ATOM 0 H ASP A 19 -3.725 12.529 -0.874 1.00 0.00 H new ATOM 0 HA ASP A 19 -6.089 13.562 0.417 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -5.477 10.581 0.482 1.00 0.00 H new ATOM 0 HB3 ASP A 19 -6.518 11.386 1.639 1.00 0.00 H new ATOM 258 N LYS A 20 -3.687 11.849 1.872 1.00 0.00 N ATOM 259 CA LYS A 20 -2.670 11.863 2.920 1.00 0.00 C ATOM 260 C LYS A 20 -3.254 12.168 4.299 1.00 0.00 C ATOM 261 O LYS A 20 -2.508 12.451 5.237 1.00 0.00 O ATOM 262 CB LYS A 20 -1.588 12.890 2.582 1.00 0.00 C ATOM 263 CG LYS A 20 -1.077 12.785 1.157 1.00 0.00 C ATOM 264 CD LYS A 20 -1.222 14.105 0.413 1.00 0.00 C ATOM 265 CE LYS A 20 -0.425 15.213 1.084 1.00 0.00 C ATOM 266 NZ LYS A 20 -1.051 16.548 0.882 1.00 0.00 N ATOM 0 H LYS A 20 -3.821 10.935 1.440 1.00 0.00 H new ATOM 0 HA LYS A 20 -2.239 10.863 2.962 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -1.986 13.892 2.744 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -0.752 12.764 3.270 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -0.029 12.485 1.166 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -1.627 12.006 0.629 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -0.883 13.983 -0.616 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -2.274 14.386 0.371 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -0.345 15.007 2.151 1.00 0.00 H new ATOM 0 HE3 LYS A 20 0.589 15.224 0.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.477 17.275 1.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.104 16.756 -0.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -2.009 16.547 1.286 1.00 0.00 H new ATOM 280 N ALA A 21 -4.578 12.115 4.434 1.00 0.00 N ATOM 281 CA ALA A 21 -5.204 12.398 5.732 1.00 0.00 C ATOM 282 C ALA A 21 -6.082 11.253 6.285 1.00 0.00 C ATOM 283 O ALA A 21 -6.902 11.498 7.170 1.00 0.00 O ATOM 284 CB ALA A 21 -6.029 13.671 5.635 1.00 0.00 C ATOM 0 H ALA A 21 -5.228 11.885 3.683 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.383 12.513 6.439 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -6.492 13.879 6.599 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.383 14.503 5.356 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -6.805 13.545 4.879 1.00 0.00 H new ATOM 290 N LEU A 22 -5.930 10.008 5.792 1.00 0.00 N ATOM 291 CA LEU A 22 -6.737 8.891 6.288 1.00 0.00 C ATOM 292 C LEU A 22 -5.765 7.885 7.000 1.00 0.00 C ATOM 293 O LEU A 22 -4.717 8.335 7.464 1.00 0.00 O ATOM 294 CB LEU A 22 -7.618 8.301 5.124 1.00 0.00 C ATOM 295 CG LEU A 22 -8.226 9.308 4.103 1.00 0.00 C ATOM 296 CD1 LEU A 22 -9.686 8.961 3.803 1.00 0.00 C ATOM 297 CD2 LEU A 22 -8.170 10.744 4.589 1.00 0.00 C ATOM 0 H LEU A 22 -5.264 9.759 5.061 1.00 0.00 H new ATOM 0 HA LEU A 22 -7.469 9.194 7.036 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.009 7.586 4.570 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.438 7.741 5.573 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.618 9.223 3.202 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -10.091 9.677 3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -9.742 7.957 3.383 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -10.266 9.001 4.725 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.608 11.400 3.837 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -8.730 10.835 5.520 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.132 11.030 4.760 1.00 0.00 H new ATOM 309 N HIS A 23 -6.064 6.571 7.158 1.00 0.00 N ATOM 310 CA HIS A 23 -5.150 5.676 7.881 1.00 0.00 C ATOM 311 C HIS A 23 -4.271 4.830 6.929 1.00 0.00 C ATOM 312 O HIS A 23 -4.762 4.392 5.887 1.00 0.00 O ATOM 313 CB HIS A 23 -5.981 4.718 8.741 1.00 0.00 C ATOM 314 CG HIS A 23 -5.652 4.774 10.200 1.00 0.00 C ATOM 315 ND1 HIS A 23 -5.265 3.667 10.927 1.00 0.00 N ATOM 316 CD2 HIS A 23 -5.653 5.812 11.071 1.00 0.00 C ATOM 317 CE1 HIS A 23 -5.045 4.020 12.181 1.00 0.00 C ATOM 318 NE2 HIS A 23 -5.272 5.315 12.294 1.00 0.00 N ATOM 0 H HIS A 23 -6.909 6.125 6.802 1.00 0.00 H new ATOM 0 HA HIS A 23 -4.490 6.299 8.485 1.00 0.00 H new ATOM 0 HB2 HIS A 23 -7.038 4.949 8.608 1.00 0.00 H new ATOM 0 HB3 HIS A 23 -5.830 3.700 8.383 1.00 0.00 H new ATOM 0 HD2 HIS A 23 -5.906 6.838 10.846 1.00 0.00 H new ATOM 0 HE1 HIS A 23 -4.733 3.361 12.978 1.00 0.00 H new ATOM 0 HE2 HIS A 23 -5.179 5.860 13.151 1.00 0.00 H new ATOM 327 N PHE A 24 -2.985 4.558 7.279 1.00 0.00 N ATOM 328 CA PHE A 24 -2.151 3.727 6.415 1.00 0.00 C ATOM 329 C PHE A 24 -1.459 2.574 7.195 1.00 0.00 C ATOM 330 O PHE A 24 -0.934 2.803 8.285 1.00 0.00 O ATOM 331 CB PHE A 24 -1.115 4.564 5.649 1.00 0.00 C ATOM 332 CG PHE A 24 -1.717 5.308 4.485 1.00 0.00 C ATOM 333 CD1 PHE A 24 -2.661 6.291 4.719 1.00 0.00 C ATOM 334 CD2 PHE A 24 -1.404 4.993 3.154 1.00 0.00 C ATOM 335 CE1 PHE A 24 -3.265 6.944 3.671 1.00 0.00 C ATOM 336 CE2 PHE A 24 -2.019 5.625 2.131 1.00 0.00 C ATOM 337 CZ PHE A 24 -2.942 6.599 2.371 1.00 0.00 C ATOM 0 H PHE A 24 -2.529 4.896 8.127 1.00 0.00 H new ATOM 0 HA PHE A 24 -2.822 3.272 5.687 1.00 0.00 H new ATOM 0 HB2 PHE A 24 -0.653 5.277 6.332 1.00 0.00 H new ATOM 0 HB3 PHE A 24 -0.322 3.910 5.286 1.00 0.00 H new ATOM 0 HD1 PHE A 24 -2.926 6.548 5.734 1.00 0.00 H new ATOM 0 HD2 PHE A 24 -0.662 4.236 2.945 1.00 0.00 H new ATOM 0 HE1 PHE A 24 -3.988 7.723 3.862 1.00 0.00 H new ATOM 0 HE2 PHE A 24 -1.777 5.356 1.113 1.00 0.00 H new ATOM 0 HZ PHE A 24 -3.422 7.102 1.545 1.00 0.00 H new ATOM 347 N TYR A 25 -1.433 1.342 6.629 1.00 0.00 N ATOM 348 CA TYR A 25 -0.781 0.198 7.267 1.00 0.00 C ATOM 349 C TYR A 25 0.711 0.215 6.901 1.00 0.00 C ATOM 350 O TYR A 25 1.070 0.823 5.900 1.00 0.00 O ATOM 351 CB TYR A 25 -1.417 -1.115 6.797 1.00 0.00 C ATOM 352 CG TYR A 25 -2.793 -1.391 7.373 1.00 0.00 C ATOM 353 CD1 TYR A 25 -3.582 -0.367 7.888 1.00 0.00 C ATOM 354 CD2 TYR A 25 -3.302 -2.683 7.394 1.00 0.00 C ATOM 355 CE1 TYR A 25 -4.837 -0.626 8.407 1.00 0.00 C ATOM 356 CE2 TYR A 25 -4.556 -2.949 7.910 1.00 0.00 C ATOM 357 CZ TYR A 25 -5.320 -1.918 8.415 1.00 0.00 C ATOM 358 OH TYR A 25 -6.568 -2.179 8.931 1.00 0.00 O ATOM 0 H TYR A 25 -1.861 1.127 5.729 1.00 0.00 H new ATOM 0 HA TYR A 25 -0.903 0.268 8.348 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -1.489 -1.100 5.709 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -0.755 -1.939 7.061 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -3.208 0.646 7.882 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -2.707 -3.494 7.000 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -5.436 0.180 8.804 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -4.936 -3.960 7.918 1.00 0.00 H new ATOM 0 HH TYR A 25 -6.757 -3.138 8.860 1.00 0.00 H new ATOM 368 N THR A 26 1.596 -0.408 7.692 1.00 0.00 N ATOM 369 CA THR A 26 3.025 -0.353 7.377 1.00 0.00 C ATOM 370 C THR A 26 3.528 -1.661 6.745 1.00 0.00 C ATOM 371 O THR A 26 2.777 -2.628 6.617 1.00 0.00 O ATOM 372 CB THR A 26 3.850 -0.009 8.630 1.00 0.00 C ATOM 373 OG1 THR A 26 4.590 -1.131 9.078 1.00 0.00 O ATOM 374 CG2 THR A 26 3.014 0.479 9.796 1.00 0.00 C ATOM 0 H THR A 26 1.356 -0.940 8.529 1.00 0.00 H new ATOM 0 HA THR A 26 3.159 0.439 6.641 1.00 0.00 H new ATOM 0 HB THR A 26 4.509 0.799 8.313 1.00 0.00 H new ATOM 0 HG1 THR A 26 5.107 -0.886 9.874 1.00 0.00 H new ATOM 0 HG21 THR A 26 3.664 0.701 10.642 1.00 0.00 H new ATOM 0 HG22 THR A 26 2.475 1.381 9.505 1.00 0.00 H new ATOM 0 HG23 THR A 26 2.300 -0.294 10.081 1.00 0.00 H new ATOM 382 N PHE A 27 4.783 -1.644 6.273 1.00 0.00 N ATOM 383 CA PHE A 27 5.374 -2.775 5.563 1.00 0.00 C ATOM 384 C PHE A 27 5.828 -3.956 6.450 1.00 0.00 C ATOM 385 O PHE A 27 6.515 -3.741 7.449 1.00 0.00 O ATOM 386 CB PHE A 27 6.603 -2.280 4.815 1.00 0.00 C ATOM 387 CG PHE A 27 6.466 -2.117 3.323 1.00 0.00 C ATOM 388 CD1 PHE A 27 5.299 -2.450 2.652 1.00 0.00 C ATOM 389 CD2 PHE A 27 7.535 -1.627 2.586 1.00 0.00 C ATOM 390 CE1 PHE A 27 5.206 -2.294 1.284 1.00 0.00 C ATOM 391 CE2 PHE A 27 7.442 -1.473 1.221 1.00 0.00 C ATOM 392 CZ PHE A 27 6.277 -1.806 0.568 1.00 0.00 C ATOM 0 H PHE A 27 5.411 -0.846 6.375 1.00 0.00 H new ATOM 0 HA PHE A 27 4.583 -3.156 4.917 1.00 0.00 H new ATOM 0 HB2 PHE A 27 6.894 -1.318 5.237 1.00 0.00 H new ATOM 0 HB3 PHE A 27 7.421 -2.974 5.008 1.00 0.00 H new ATOM 0 HD1 PHE A 27 4.455 -2.835 3.205 1.00 0.00 H new ATOM 0 HD2 PHE A 27 8.453 -1.363 3.090 1.00 0.00 H new ATOM 0 HE1 PHE A 27 4.291 -2.555 0.773 1.00 0.00 H new ATOM 0 HE2 PHE A 27 8.284 -1.091 0.662 1.00 0.00 H new ATOM 0 HZ PHE A 27 6.203 -1.685 -0.503 1.00 0.00 H new ATOM 402 N PRO A 28 5.469 -5.228 6.101 1.00 0.00 N ATOM 403 CA PRO A 28 5.875 -6.418 6.878 1.00 0.00 C ATOM 404 C PRO A 28 7.351 -6.361 7.323 1.00 0.00 C ATOM 405 O PRO A 28 8.084 -5.450 6.935 1.00 0.00 O ATOM 406 CB PRO A 28 5.705 -7.529 5.824 1.00 0.00 C ATOM 407 CG PRO A 28 4.484 -7.115 5.105 1.00 0.00 C ATOM 408 CD PRO A 28 4.582 -5.621 4.972 1.00 0.00 C ATOM 0 HA PRO A 28 5.304 -6.539 7.798 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.566 -7.589 5.158 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.590 -8.510 6.285 1.00 0.00 H new ATOM 0 HG2 PRO A 28 4.424 -7.593 4.127 1.00 0.00 H new ATOM 0 HG3 PRO A 28 3.588 -7.402 5.656 1.00 0.00 H new ATOM 0 HD2 PRO A 28 5.005 -5.331 4.010 1.00 0.00 H new ATOM 0 HD3 PRO A 28 3.604 -5.147 5.047 1.00 0.00 H new ATOM 416 N LYS A 29 7.780 -7.326 8.148 1.00 0.00 N ATOM 417 CA LYS A 29 9.158 -7.362 8.652 1.00 0.00 C ATOM 418 C LYS A 29 10.118 -7.981 7.646 1.00 0.00 C ATOM 419 O LYS A 29 11.311 -7.677 7.633 1.00 0.00 O ATOM 420 CB LYS A 29 9.226 -8.171 9.946 1.00 0.00 C ATOM 421 CG LYS A 29 8.358 -9.422 9.943 1.00 0.00 C ATOM 422 CD LYS A 29 7.201 -9.303 10.921 1.00 0.00 C ATOM 423 CE LYS A 29 7.632 -9.648 12.338 1.00 0.00 C ATOM 424 NZ LYS A 29 7.265 -11.043 12.708 1.00 0.00 N ATOM 0 H LYS A 29 7.193 -8.091 8.480 1.00 0.00 H new ATOM 0 HA LYS A 29 9.457 -6.329 8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 29 10.261 -8.460 10.127 1.00 0.00 H new ATOM 0 HB3 LYS A 29 8.923 -7.534 10.777 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.970 -9.594 8.939 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.967 -10.288 10.202 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.806 -8.288 10.897 1.00 0.00 H new ATOM 0 HD3 LYS A 29 6.393 -9.967 10.613 1.00 0.00 H new ATOM 0 HE2 LYS A 29 8.711 -9.520 12.430 1.00 0.00 H new ATOM 0 HE3 LYS A 29 7.168 -8.953 13.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 7.577 -11.237 13.681 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.233 -11.159 12.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 7.728 -11.708 12.057 1.00 0.00 H new ATOM 438 N ASP A 30 9.587 -8.864 6.827 1.00 0.00 N ATOM 439 CA ASP A 30 10.382 -9.569 5.821 1.00 0.00 C ATOM 440 C ASP A 30 10.587 -8.686 4.581 1.00 0.00 C ATOM 441 O ASP A 30 9.621 -8.346 3.896 1.00 0.00 O ATOM 442 CB ASP A 30 9.661 -10.871 5.406 1.00 0.00 C ATOM 443 CG ASP A 30 8.431 -11.176 6.245 1.00 0.00 C ATOM 444 OD1 ASP A 30 7.504 -10.340 6.265 1.00 0.00 O ATOM 445 OD2 ASP A 30 8.397 -12.252 6.879 1.00 0.00 O ATOM 0 H ASP A 30 8.599 -9.118 6.832 1.00 0.00 H new ATOM 0 HA ASP A 30 11.355 -9.806 6.252 1.00 0.00 H new ATOM 0 HB2 ASP A 30 9.368 -10.797 4.359 1.00 0.00 H new ATOM 0 HB3 ASP A 30 10.359 -11.704 5.483 1.00 0.00 H new ATOM 450 N ALA A 31 11.842 -8.301 4.303 1.00 0.00 N ATOM 451 CA ALA A 31 12.150 -7.450 3.163 1.00 0.00 C ATOM 452 C ALA A 31 11.376 -7.858 1.870 1.00 0.00 C ATOM 453 O ALA A 31 10.532 -7.109 1.406 1.00 0.00 O ATOM 454 CB ALA A 31 13.670 -7.385 2.958 1.00 0.00 C ATOM 0 H ALA A 31 12.655 -8.570 4.858 1.00 0.00 H new ATOM 0 HA ALA A 31 11.796 -6.444 3.387 1.00 0.00 H new ATOM 0 HB1 ALA A 31 13.895 -6.747 2.103 1.00 0.00 H new ATOM 0 HB2 ALA A 31 14.140 -6.974 3.851 1.00 0.00 H new ATOM 0 HB3 ALA A 31 14.055 -8.388 2.773 1.00 0.00 H new ATOM 460 N GLU A 32 11.637 -9.033 1.283 1.00 0.00 N ATOM 461 CA GLU A 32 10.934 -9.442 0.046 1.00 0.00 C ATOM 462 C GLU A 32 9.439 -9.281 0.120 1.00 0.00 C ATOM 463 O GLU A 32 8.906 -8.483 -0.649 1.00 0.00 O ATOM 464 CB GLU A 32 11.330 -10.870 -0.359 1.00 0.00 C ATOM 465 CG GLU A 32 10.461 -11.491 -1.446 1.00 0.00 C ATOM 466 CD GLU A 32 9.166 -12.063 -0.905 1.00 0.00 C ATOM 467 OE1 GLU A 32 9.133 -12.430 0.288 1.00 0.00 O ATOM 468 OE2 GLU A 32 8.187 -12.146 -1.674 1.00 0.00 O ATOM 0 H GLU A 32 12.315 -9.710 1.631 1.00 0.00 H new ATOM 0 HA GLU A 32 11.261 -8.755 -0.735 1.00 0.00 H new ATOM 0 HB2 GLU A 32 12.365 -10.862 -0.702 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.292 -11.507 0.525 1.00 0.00 H new ATOM 0 HG2 GLU A 32 10.233 -10.736 -2.199 1.00 0.00 H new ATOM 0 HG3 GLU A 32 11.021 -12.281 -1.946 1.00 0.00 H new ATOM 475 N LEU A 33 8.722 -9.984 0.998 1.00 0.00 N ATOM 476 CA LEU A 33 7.293 -9.773 1.027 1.00 0.00 C ATOM 477 C LEU A 33 7.010 -8.284 0.793 1.00 0.00 C ATOM 478 O LEU A 33 6.102 -7.895 0.061 1.00 0.00 O ATOM 479 CB LEU A 33 6.712 -10.223 2.376 1.00 0.00 C ATOM 480 CG LEU A 33 5.208 -10.503 2.391 1.00 0.00 C ATOM 481 CD1 LEU A 33 4.614 -10.471 0.992 1.00 0.00 C ATOM 482 CD2 LEU A 33 4.926 -11.840 3.027 1.00 0.00 C ATOM 0 H LEU A 33 9.090 -10.666 1.661 1.00 0.00 H new ATOM 0 HA LEU A 33 6.819 -10.364 0.243 1.00 0.00 H new ATOM 0 HB2 LEU A 33 7.234 -11.126 2.692 1.00 0.00 H new ATOM 0 HB3 LEU A 33 6.927 -9.454 3.118 1.00 0.00 H new ATOM 0 HG LEU A 33 4.740 -9.713 2.978 1.00 0.00 H new ATOM 0 HD11 LEU A 33 3.545 -10.675 1.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 4.774 -9.487 0.551 1.00 0.00 H new ATOM 0 HD13 LEU A 33 5.097 -11.228 0.374 1.00 0.00 H new ATOM 0 HD21 LEU A 33 3.851 -12.023 3.029 1.00 0.00 H new ATOM 0 HD22 LEU A 33 5.426 -12.625 2.460 1.00 0.00 H new ATOM 0 HD23 LEU A 33 5.296 -11.841 4.052 1.00 0.00 H new ATOM 494 N ARG A 34 7.875 -7.470 1.377 1.00 0.00 N ATOM 495 CA ARG A 34 7.792 -6.010 1.259 1.00 0.00 C ATOM 496 C ARG A 34 7.821 -5.584 -0.182 1.00 0.00 C ATOM 497 O ARG A 34 6.876 -4.953 -0.669 1.00 0.00 O ATOM 498 CB ARG A 34 8.896 -5.294 2.091 1.00 0.00 C ATOM 499 CG ARG A 34 10.115 -4.783 1.316 1.00 0.00 C ATOM 500 CD ARG A 34 10.016 -3.302 1.018 1.00 0.00 C ATOM 501 NE ARG A 34 10.749 -2.494 1.991 1.00 0.00 N ATOM 502 CZ ARG A 34 12.069 -2.545 2.150 1.00 0.00 C ATOM 503 NH1 ARG A 34 12.805 -3.357 1.402 1.00 0.00 N ATOM 504 NH2 ARG A 34 12.656 -1.780 3.061 1.00 0.00 N ATOM 0 H ARG A 34 8.656 -7.795 1.947 1.00 0.00 H new ATOM 0 HA ARG A 34 6.834 -5.703 1.679 1.00 0.00 H new ATOM 0 HB2 ARG A 34 8.440 -4.448 2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 34 9.245 -5.984 2.859 1.00 0.00 H new ATOM 0 HG2 ARG A 34 11.019 -4.977 1.893 1.00 0.00 H new ATOM 0 HG3 ARG A 34 10.208 -5.336 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 34 10.406 -3.107 0.019 1.00 0.00 H new ATOM 0 HD3 ARG A 34 8.968 -3.003 1.015 1.00 0.00 H new ATOM 0 HE ARG A 34 10.218 -1.854 2.582 1.00 0.00 H new ATOM 0 HH11 ARG A 34 12.359 -3.947 0.700 1.00 0.00 H new ATOM 0 HH12 ARG A 34 13.816 -3.391 1.529 1.00 0.00 H new ATOM 0 HH21 ARG A 34 12.095 -1.154 3.639 1.00 0.00 H new ATOM 0 HH22 ARG A 34 13.668 -1.818 3.184 1.00 0.00 H new ATOM 518 N ARG A 35 8.874 -5.957 -0.881 1.00 0.00 N ATOM 519 CA ARG A 35 8.973 -5.607 -2.268 1.00 0.00 C ATOM 520 C ARG A 35 7.743 -6.110 -2.978 1.00 0.00 C ATOM 521 O ARG A 35 7.220 -5.438 -3.864 1.00 0.00 O ATOM 522 CB ARG A 35 10.278 -6.111 -2.927 1.00 0.00 C ATOM 523 CG ARG A 35 10.516 -7.616 -2.895 1.00 0.00 C ATOM 524 CD ARG A 35 9.745 -8.345 -3.986 1.00 0.00 C ATOM 525 NE ARG A 35 10.240 -8.012 -5.320 1.00 0.00 N ATOM 526 CZ ARG A 35 11.301 -8.587 -5.883 1.00 0.00 C ATOM 527 NH1 ARG A 35 11.988 -9.517 -5.230 1.00 0.00 N ATOM 528 NH2 ARG A 35 11.677 -8.230 -7.103 1.00 0.00 N ATOM 0 H ARG A 35 9.658 -6.494 -0.511 1.00 0.00 H new ATOM 0 HA ARG A 35 9.023 -4.521 -2.352 1.00 0.00 H new ATOM 0 HB2 ARG A 35 10.283 -5.786 -3.968 1.00 0.00 H new ATOM 0 HB3 ARG A 35 11.119 -5.622 -2.437 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.581 -7.816 -3.010 1.00 0.00 H new ATOM 0 HG3 ARG A 35 10.222 -8.008 -1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 35 9.823 -9.421 -3.828 1.00 0.00 H new ATOM 0 HD3 ARG A 35 8.688 -8.088 -3.917 1.00 0.00 H new ATOM 0 HE ARG A 35 9.743 -7.297 -5.851 1.00 0.00 H new ATOM 0 HH11 ARG A 35 11.704 -9.795 -4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 35 12.800 -9.953 -5.668 1.00 0.00 H new ATOM 0 HH21 ARG A 35 11.154 -7.516 -7.609 1.00 0.00 H new ATOM 0 HH22 ARG A 35 12.490 -8.670 -7.535 1.00 0.00 H new ATOM 542 N LEU A 36 7.207 -7.254 -2.538 1.00 0.00 N ATOM 543 CA LEU A 36 5.984 -7.738 -3.186 1.00 0.00 C ATOM 544 C LEU A 36 4.914 -6.684 -3.091 1.00 0.00 C ATOM 545 O LEU A 36 4.280 -6.341 -4.094 1.00 0.00 O ATOM 546 CB LEU A 36 5.498 -9.078 -2.614 1.00 0.00 C ATOM 547 CG LEU A 36 6.366 -10.291 -2.960 1.00 0.00 C ATOM 548 CD1 LEU A 36 5.664 -11.577 -2.553 1.00 0.00 C ATOM 549 CD2 LEU A 36 6.692 -10.309 -4.447 1.00 0.00 C ATOM 0 H LEU A 36 7.573 -7.832 -1.782 1.00 0.00 H new ATOM 0 HA LEU A 36 6.215 -7.927 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 36 5.440 -8.991 -1.529 1.00 0.00 H new ATOM 0 HB3 LEU A 36 4.486 -9.262 -2.974 1.00 0.00 H new ATOM 0 HG LEU A 36 7.301 -10.216 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 36 6.293 -12.431 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 36 5.480 -11.567 -1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 36 4.715 -11.657 -3.083 1.00 0.00 H new ATOM 0 HD21 LEU A 36 7.309 -11.178 -4.674 1.00 0.00 H new ATOM 0 HD22 LEU A 36 5.767 -10.361 -5.022 1.00 0.00 H new ATOM 0 HD23 LEU A 36 7.233 -9.401 -4.712 1.00 0.00 H new ATOM 561 N TRP A 37 4.741 -6.112 -1.917 1.00 0.00 N ATOM 562 CA TRP A 37 3.757 -5.079 -1.782 1.00 0.00 C ATOM 563 C TRP A 37 4.108 -3.913 -2.682 1.00 0.00 C ATOM 564 O TRP A 37 3.211 -3.344 -3.320 1.00 0.00 O ATOM 565 CB TRP A 37 3.636 -4.622 -0.342 1.00 0.00 C ATOM 566 CG TRP A 37 2.845 -5.574 0.487 1.00 0.00 C ATOM 567 CD1 TRP A 37 2.773 -6.920 0.311 1.00 0.00 C ATOM 568 CD2 TRP A 37 2.006 -5.263 1.599 1.00 0.00 C ATOM 569 NE1 TRP A 37 1.978 -7.483 1.284 1.00 0.00 N ATOM 570 CE2 TRP A 37 1.485 -6.480 2.082 1.00 0.00 C ATOM 571 CE3 TRP A 37 1.655 -4.077 2.242 1.00 0.00 C ATOM 572 CZ2 TRP A 37 0.630 -6.534 3.182 1.00 0.00 C ATOM 573 CZ3 TRP A 37 0.811 -4.133 3.324 1.00 0.00 C ATOM 574 CH2 TRP A 37 0.307 -5.351 3.789 1.00 0.00 C ATOM 0 H TRP A 37 5.258 -6.342 -1.068 1.00 0.00 H new ATOM 0 HA TRP A 37 2.791 -5.483 -2.083 1.00 0.00 H new ATOM 0 HB2 TRP A 37 4.632 -4.511 0.087 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.165 -3.640 -0.313 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.267 -7.468 -0.477 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.787 -8.479 1.394 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.040 -3.130 1.895 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.238 -7.474 3.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.531 -3.218 3.825 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.351 -5.359 4.645 1.00 0.00 H new ATOM 585 N LEU A 38 5.424 -3.581 -2.787 1.00 0.00 N ATOM 586 CA LEU A 38 5.841 -2.499 -3.656 1.00 0.00 C ATOM 587 C LEU A 38 4.935 -2.541 -4.901 1.00 0.00 C ATOM 588 O LEU A 38 4.333 -1.538 -5.294 1.00 0.00 O ATOM 589 CB LEU A 38 7.318 -2.661 -4.057 1.00 0.00 C ATOM 590 CG LEU A 38 8.343 -2.140 -3.038 1.00 0.00 C ATOM 591 CD1 LEU A 38 9.697 -1.951 -3.702 1.00 0.00 C ATOM 592 CD2 LEU A 38 7.888 -0.828 -2.416 1.00 0.00 C ATOM 0 H LEU A 38 6.180 -4.047 -2.286 1.00 0.00 H new ATOM 0 HA LEU A 38 5.750 -1.541 -3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.514 -3.718 -4.234 1.00 0.00 H new ATOM 0 HB3 LEU A 38 7.478 -2.144 -5.003 1.00 0.00 H new ATOM 0 HG LEU A 38 8.429 -2.883 -2.245 1.00 0.00 H new ATOM 0 HD11 LEU A 38 10.414 -1.581 -2.968 1.00 0.00 H new ATOM 0 HD12 LEU A 38 10.044 -2.905 -4.099 1.00 0.00 H new ATOM 0 HD13 LEU A 38 9.606 -1.231 -4.515 1.00 0.00 H new ATOM 0 HD21 LEU A 38 8.635 -0.486 -1.700 1.00 0.00 H new ATOM 0 HD22 LEU A 38 7.765 -0.078 -3.197 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.937 -0.978 -1.905 1.00 0.00 H new ATOM 604 N LYS A 39 4.785 -3.756 -5.480 1.00 0.00 N ATOM 605 CA LYS A 39 3.951 -3.958 -6.646 1.00 0.00 C ATOM 606 C LYS A 39 2.535 -3.382 -6.491 1.00 0.00 C ATOM 607 O LYS A 39 2.115 -2.512 -7.264 1.00 0.00 O ATOM 608 CB LYS A 39 3.914 -5.474 -6.927 1.00 0.00 C ATOM 609 CG LYS A 39 4.867 -5.953 -8.017 1.00 0.00 C ATOM 610 CD LYS A 39 6.118 -5.089 -8.123 1.00 0.00 C ATOM 611 CE LYS A 39 6.005 -4.077 -9.252 1.00 0.00 C ATOM 612 NZ LYS A 39 6.652 -2.783 -8.905 1.00 0.00 N ATOM 0 H LYS A 39 5.241 -4.603 -5.142 1.00 0.00 H new ATOM 0 HA LYS A 39 4.380 -3.414 -7.487 1.00 0.00 H new ATOM 0 HB2 LYS A 39 4.146 -6.005 -6.004 1.00 0.00 H new ATOM 0 HB3 LYS A 39 2.898 -5.751 -7.207 1.00 0.00 H new ATOM 0 HG2 LYS A 39 5.158 -6.983 -7.813 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.347 -5.952 -8.975 1.00 0.00 H new ATOM 0 HD2 LYS A 39 6.281 -4.567 -7.180 1.00 0.00 H new ATOM 0 HD3 LYS A 39 6.987 -5.725 -8.289 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.467 -4.484 -10.152 1.00 0.00 H new ATOM 0 HE3 LYS A 39 4.953 -3.907 -9.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 6.750 -2.203 -9.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 6.067 -2.278 -8.210 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 7.593 -2.963 -8.500 1.00 0.00 H new ATOM 626 N ASN A 40 1.810 -3.871 -5.497 1.00 0.00 N ATOM 627 CA ASN A 40 0.426 -3.441 -5.248 1.00 0.00 C ATOM 628 C ASN A 40 0.315 -1.943 -5.005 1.00 0.00 C ATOM 629 O ASN A 40 -0.749 -1.348 -5.182 1.00 0.00 O ATOM 630 CB ASN A 40 -0.200 -4.193 -4.058 1.00 0.00 C ATOM 631 CG ASN A 40 0.634 -5.357 -3.550 1.00 0.00 C ATOM 632 OD1 ASN A 40 1.448 -5.925 -4.278 1.00 0.00 O ATOM 633 ND2 ASN A 40 0.424 -5.726 -2.296 1.00 0.00 N ATOM 0 H ASN A 40 2.153 -4.572 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 40 -0.124 -3.684 -6.157 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -0.358 -3.490 -3.241 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.181 -4.565 -4.353 1.00 0.00 H new ATOM 0 HD21 ASN A 40 0.946 -6.508 -1.900 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -0.260 -5.229 -1.726 1.00 0.00 H new ATOM 640 N VAL A 41 1.398 -1.359 -4.546 1.00 0.00 N ATOM 641 CA VAL A 41 1.426 0.055 -4.207 1.00 0.00 C ATOM 642 C VAL A 41 1.526 0.993 -5.411 1.00 0.00 C ATOM 643 O VAL A 41 1.141 2.150 -5.289 1.00 0.00 O ATOM 644 CB VAL A 41 2.525 0.388 -3.166 1.00 0.00 C ATOM 645 CG1 VAL A 41 3.716 1.081 -3.811 1.00 0.00 C ATOM 646 CG2 VAL A 41 1.941 1.254 -2.057 1.00 0.00 C ATOM 0 H VAL A 41 2.283 -1.843 -4.396 1.00 0.00 H new ATOM 0 HA VAL A 41 0.451 0.241 -3.757 1.00 0.00 H new ATOM 0 HB VAL A 41 2.884 -0.549 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.466 1.299 -3.051 1.00 0.00 H new ATOM 0 HG12 VAL A 41 4.148 0.430 -4.571 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.388 2.012 -4.274 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.718 1.485 -1.328 1.00 0.00 H new ATOM 0 HG22 VAL A 41 1.556 2.181 -2.483 1.00 0.00 H new ATOM 0 HG23 VAL A 41 1.130 0.717 -1.565 1.00 0.00 H new ATOM 656 N SER A 42 2.049 0.529 -6.558 1.00 0.00 N ATOM 657 CA SER A 42 2.178 1.404 -7.744 1.00 0.00 C ATOM 658 C SER A 42 3.297 0.893 -8.699 1.00 0.00 C ATOM 659 O SER A 42 3.015 -0.009 -9.483 1.00 0.00 O ATOM 660 CB SER A 42 2.388 2.892 -7.341 1.00 0.00 C ATOM 661 OG SER A 42 3.251 3.558 -8.249 1.00 0.00 O ATOM 0 H SER A 42 2.384 -0.425 -6.693 1.00 0.00 H new ATOM 0 HA SER A 42 1.238 1.359 -8.293 1.00 0.00 H new ATOM 0 HB2 SER A 42 1.425 3.402 -7.312 1.00 0.00 H new ATOM 0 HB3 SER A 42 2.806 2.943 -6.336 1.00 0.00 H new ATOM 0 HG SER A 42 3.843 4.162 -7.754 1.00 0.00 H new ATOM 667 N ARG A 43 4.559 1.446 -8.652 1.00 0.00 N ATOM 668 CA ARG A 43 5.656 1.004 -9.534 1.00 0.00 C ATOM 669 C ARG A 43 6.426 2.223 -10.044 1.00 0.00 C ATOM 670 O ARG A 43 6.386 3.286 -9.425 1.00 0.00 O ATOM 671 CB ARG A 43 5.154 0.170 -10.724 1.00 0.00 C ATOM 672 CG ARG A 43 4.254 0.943 -11.676 1.00 0.00 C ATOM 673 CD ARG A 43 4.987 1.321 -12.954 1.00 0.00 C ATOM 674 NE ARG A 43 4.137 1.187 -14.134 1.00 0.00 N ATOM 675 CZ ARG A 43 4.602 1.119 -15.380 1.00 0.00 C ATOM 676 NH1 ARG A 43 5.908 1.171 -15.611 1.00 0.00 N ATOM 677 NH2 ARG A 43 3.759 0.998 -16.396 1.00 0.00 N ATOM 0 H ARG A 43 4.821 2.194 -8.009 1.00 0.00 H new ATOM 0 HA ARG A 43 6.311 0.363 -8.944 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.012 -0.210 -11.278 1.00 0.00 H new ATOM 0 HB3 ARG A 43 4.610 -0.696 -10.346 1.00 0.00 H new ATOM 0 HG2 ARG A 43 3.380 0.340 -11.922 1.00 0.00 H new ATOM 0 HG3 ARG A 43 3.891 1.845 -11.183 1.00 0.00 H new ATOM 0 HD2 ARG A 43 5.341 2.349 -12.878 1.00 0.00 H new ATOM 0 HD3 ARG A 43 5.867 0.688 -13.068 1.00 0.00 H new ATOM 0 HE ARG A 43 3.127 1.143 -13.996 1.00 0.00 H new ATOM 0 HH11 ARG A 43 6.560 1.263 -14.832 1.00 0.00 H new ATOM 0 HH12 ARG A 43 6.259 1.118 -16.567 1.00 0.00 H new ATOM 0 HH21 ARG A 43 2.755 0.957 -16.223 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.115 0.946 -17.351 1.00 0.00 H new ATOM 691 N ALA A 44 7.127 2.072 -11.168 1.00 0.00 N ATOM 692 CA ALA A 44 7.897 3.172 -11.747 1.00 0.00 C ATOM 693 C ALA A 44 6.983 4.352 -12.151 1.00 0.00 C ATOM 694 O ALA A 44 6.832 4.622 -13.343 1.00 0.00 O ATOM 695 CB ALA A 44 8.676 2.663 -12.964 1.00 0.00 C ATOM 0 H ALA A 44 7.177 1.200 -11.695 1.00 0.00 H new ATOM 0 HA ALA A 44 8.593 3.539 -10.993 1.00 0.00 H new ATOM 0 HB1 ALA A 44 9.251 3.482 -13.397 1.00 0.00 H new ATOM 0 HB2 ALA A 44 9.354 1.867 -12.655 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.978 2.277 -13.707 1.00 0.00 H new ATOM 701 N GLY A 45 6.364 5.062 -11.177 1.00 0.00 N ATOM 702 CA GLY A 45 5.498 6.173 -11.528 1.00 0.00 C ATOM 703 C GLY A 45 4.283 5.746 -12.322 1.00 0.00 C ATOM 704 O GLY A 45 3.611 6.577 -12.931 1.00 0.00 O ATOM 0 H GLY A 45 6.454 4.880 -10.177 1.00 0.00 H new ATOM 0 HA2 GLY A 45 5.172 6.675 -10.617 1.00 0.00 H new ATOM 0 HA3 GLY A 45 6.066 6.901 -12.107 1.00 0.00 H new ATOM 708 N VAL A 46 3.998 4.449 -12.321 1.00 0.00 N ATOM 709 CA VAL A 46 2.854 3.922 -13.053 1.00 0.00 C ATOM 710 C VAL A 46 2.908 4.323 -14.526 1.00 0.00 C ATOM 711 O VAL A 46 1.884 4.341 -15.210 1.00 0.00 O ATOM 712 CB VAL A 46 1.512 4.403 -12.451 1.00 0.00 C ATOM 713 CG1 VAL A 46 0.548 3.241 -12.339 1.00 0.00 C ATOM 714 CG2 VAL A 46 1.709 5.060 -11.090 1.00 0.00 C ATOM 0 H VAL A 46 4.542 3.745 -11.823 1.00 0.00 H new ATOM 0 HA VAL A 46 2.908 2.837 -12.969 1.00 0.00 H new ATOM 0 HB VAL A 46 1.095 5.154 -13.122 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -0.394 3.589 -11.914 1.00 0.00 H new ATOM 0 HG12 VAL A 46 0.367 2.822 -13.329 1.00 0.00 H new ATOM 0 HG13 VAL A 46 0.976 2.474 -11.693 1.00 0.00 H new ATOM 0 HG21 VAL A 46 0.744 5.385 -10.700 1.00 0.00 H new ATOM 0 HG22 VAL A 46 2.157 4.343 -10.401 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.367 5.923 -11.194 1.00 0.00 H new ATOM 724 N SER A 47 4.106 4.646 -15.006 1.00 0.00 N ATOM 725 CA SER A 47 4.297 5.050 -16.394 1.00 0.00 C ATOM 726 C SER A 47 5.787 5.366 -16.651 1.00 0.00 C ATOM 727 O SER A 47 6.408 4.722 -17.496 1.00 0.00 O ATOM 728 CB SER A 47 3.437 6.279 -16.709 1.00 0.00 C ATOM 729 OG SER A 47 4.130 7.482 -16.419 1.00 0.00 O ATOM 0 H SER A 47 4.962 4.635 -14.451 1.00 0.00 H new ATOM 0 HA SER A 47 3.991 4.231 -17.045 1.00 0.00 H new ATOM 0 HB2 SER A 47 3.152 6.266 -17.761 1.00 0.00 H new ATOM 0 HB3 SER A 47 2.515 6.239 -16.128 1.00 0.00 H new ATOM 0 HG SER A 47 3.558 8.249 -16.631 1.00 0.00 H new ATOM 735 N GLY A 48 6.384 6.354 -15.918 1.00 0.00 N ATOM 736 CA GLY A 48 7.785 6.663 -16.133 1.00 0.00 C ATOM 737 C GLY A 48 8.613 6.446 -14.882 1.00 0.00 C ATOM 738 O GLY A 48 8.141 6.681 -13.770 1.00 0.00 O ATOM 0 H GLY A 48 5.918 6.916 -15.206 1.00 0.00 H new ATOM 0 HA2 GLY A 48 8.174 6.040 -16.938 1.00 0.00 H new ATOM 0 HA3 GLY A 48 7.882 7.699 -16.457 1.00 0.00 H new ATOM 742 N CYS A 49 9.848 5.992 -15.061 1.00 0.00 N ATOM 743 CA CYS A 49 10.740 5.737 -13.934 1.00 0.00 C ATOM 744 C CYS A 49 11.336 7.039 -13.393 1.00 0.00 C ATOM 745 O CYS A 49 12.557 7.182 -13.310 1.00 0.00 O ATOM 746 CB CYS A 49 11.863 4.789 -14.359 1.00 0.00 C ATOM 747 SG CYS A 49 12.734 4.011 -12.978 1.00 0.00 S ATOM 0 H CYS A 49 10.255 5.793 -15.975 1.00 0.00 H new ATOM 0 HA CYS A 49 10.155 5.274 -13.139 1.00 0.00 H new ATOM 0 HB2 CYS A 49 11.445 4.010 -14.996 1.00 0.00 H new ATOM 0 HB3 CYS A 49 12.582 5.342 -14.963 1.00 0.00 H new ATOM 0 HG CYS A 49 13.663 3.227 -13.438 1.00 0.00 H new ATOM 753 N PHE A 50 10.476 7.990 -13.027 1.00 0.00 N ATOM 754 CA PHE A 50 10.939 9.269 -12.500 1.00 0.00 C ATOM 755 C PHE A 50 11.624 9.080 -11.135 1.00 0.00 C ATOM 756 O PHE A 50 12.847 9.193 -11.052 1.00 0.00 O ATOM 757 CB PHE A 50 9.768 10.245 -12.367 1.00 0.00 C ATOM 758 CG PHE A 50 10.164 11.684 -12.541 1.00 0.00 C ATOM 759 CD1 PHE A 50 11.250 12.205 -11.856 1.00 0.00 C ATOM 760 CD2 PHE A 50 9.450 12.514 -13.391 1.00 0.00 C ATOM 761 CE1 PHE A 50 11.616 13.529 -12.016 1.00 0.00 C ATOM 762 CE2 PHE A 50 9.811 13.839 -13.554 1.00 0.00 C ATOM 763 CZ PHE A 50 10.896 14.346 -12.865 1.00 0.00 C ATOM 0 H PHE A 50 9.462 7.898 -13.086 1.00 0.00 H new ATOM 0 HA PHE A 50 11.666 9.682 -13.199 1.00 0.00 H new ATOM 0 HB2 PHE A 50 9.009 9.993 -13.108 1.00 0.00 H new ATOM 0 HB3 PHE A 50 9.310 10.119 -11.386 1.00 0.00 H new ATOM 0 HD1 PHE A 50 11.816 11.571 -11.190 1.00 0.00 H new ATOM 0 HD2 PHE A 50 8.602 12.121 -13.932 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.465 13.924 -11.477 1.00 0.00 H new ATOM 0 HE2 PHE A 50 9.246 14.476 -14.218 1.00 0.00 H new ATOM 0 HZ PHE A 50 11.181 15.380 -12.990 1.00 0.00 H new ATOM 773 N SER A 51 10.841 8.783 -10.061 1.00 0.00 N ATOM 774 CA SER A 51 11.403 8.578 -8.716 1.00 0.00 C ATOM 775 C SER A 51 10.450 9.079 -7.629 1.00 0.00 C ATOM 776 O SER A 51 10.671 8.830 -6.444 1.00 0.00 O ATOM 777 CB SER A 51 12.757 9.284 -8.558 1.00 0.00 C ATOM 778 OG SER A 51 13.077 9.482 -7.191 1.00 0.00 O ATOM 0 H SER A 51 9.827 8.683 -10.110 1.00 0.00 H new ATOM 0 HA SER A 51 11.545 7.504 -8.600 1.00 0.00 H new ATOM 0 HB2 SER A 51 13.537 8.690 -9.034 1.00 0.00 H new ATOM 0 HB3 SER A 51 12.730 10.246 -9.071 1.00 0.00 H new ATOM 0 HG SER A 51 12.479 8.941 -6.633 1.00 0.00 H new ATOM 784 N THR A 52 9.398 9.796 -8.028 1.00 0.00 N ATOM 785 CA THR A 52 8.432 10.337 -7.071 1.00 0.00 C ATOM 786 C THR A 52 8.007 9.266 -6.049 1.00 0.00 C ATOM 787 O THR A 52 8.306 8.086 -6.235 1.00 0.00 O ATOM 788 CB THR A 52 7.203 10.886 -7.806 1.00 0.00 C ATOM 789 OG1 THR A 52 6.330 9.833 -8.176 1.00 0.00 O ATOM 790 CG2 THR A 52 7.541 11.661 -9.065 1.00 0.00 C ATOM 0 H THR A 52 9.194 10.015 -9.003 1.00 0.00 H new ATOM 0 HA THR A 52 8.913 11.152 -6.530 1.00 0.00 H new ATOM 0 HB THR A 52 6.731 11.568 -7.099 1.00 0.00 H new ATOM 0 HG1 THR A 52 6.088 9.314 -7.381 1.00 0.00 H new ATOM 0 HG21 THR A 52 6.622 12.018 -9.530 1.00 0.00 H new ATOM 0 HG22 THR A 52 8.173 12.512 -8.810 1.00 0.00 H new ATOM 0 HG23 THR A 52 8.071 11.011 -9.761 1.00 0.00 H new ATOM 798 N PHE A 53 7.312 9.676 -4.970 1.00 0.00 N ATOM 799 CA PHE A 53 6.859 8.749 -3.928 1.00 0.00 C ATOM 800 C PHE A 53 7.871 7.632 -3.670 1.00 0.00 C ATOM 801 O PHE A 53 7.494 6.507 -3.343 1.00 0.00 O ATOM 802 CB PHE A 53 5.491 8.154 -4.282 1.00 0.00 C ATOM 803 CG PHE A 53 5.486 7.317 -5.530 1.00 0.00 C ATOM 804 CD1 PHE A 53 5.847 5.976 -5.491 1.00 0.00 C ATOM 805 CD2 PHE A 53 5.104 7.868 -6.742 1.00 0.00 C ATOM 806 CE1 PHE A 53 5.825 5.208 -6.637 1.00 0.00 C ATOM 807 CE2 PHE A 53 5.085 7.103 -7.892 1.00 0.00 C ATOM 808 CZ PHE A 53 5.445 5.771 -7.839 1.00 0.00 C ATOM 0 H PHE A 53 7.054 10.648 -4.802 1.00 0.00 H new ATOM 0 HA PHE A 53 6.766 9.327 -3.009 1.00 0.00 H new ATOM 0 HB2 PHE A 53 5.146 7.543 -3.447 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.774 8.966 -4.400 1.00 0.00 H new ATOM 0 HD1 PHE A 53 6.148 5.530 -4.554 1.00 0.00 H new ATOM 0 HD2 PHE A 53 4.818 8.908 -6.788 1.00 0.00 H new ATOM 0 HE1 PHE A 53 6.105 4.166 -6.594 1.00 0.00 H new ATOM 0 HE2 PHE A 53 4.789 7.546 -8.831 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.429 5.170 -8.736 1.00 0.00 H new ATOM 818 N GLN A 54 9.158 7.950 -3.805 1.00 0.00 N ATOM 819 CA GLN A 54 10.221 6.970 -3.576 1.00 0.00 C ATOM 820 C GLN A 54 9.950 6.174 -2.295 1.00 0.00 C ATOM 821 O GLN A 54 9.823 6.758 -1.219 1.00 0.00 O ATOM 822 CB GLN A 54 11.573 7.684 -3.475 1.00 0.00 C ATOM 823 CG GLN A 54 12.774 6.770 -3.670 1.00 0.00 C ATOM 824 CD GLN A 54 14.055 7.370 -3.122 1.00 0.00 C ATOM 825 OE1 GLN A 54 14.745 6.755 -2.311 1.00 0.00 O ATOM 826 NE2 GLN A 54 14.378 8.579 -3.567 1.00 0.00 N ATOM 0 H GLN A 54 9.490 8.877 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 54 10.244 6.276 -4.416 1.00 0.00 H new ATOM 0 HB2 GLN A 54 11.609 8.478 -4.221 1.00 0.00 H new ATOM 0 HB3 GLN A 54 11.648 8.161 -2.498 1.00 0.00 H new ATOM 0 HG2 GLN A 54 12.584 5.816 -3.178 1.00 0.00 H new ATOM 0 HG3 GLN A 54 12.899 6.562 -4.733 1.00 0.00 H new ATOM 0 HE21 GLN A 54 13.775 9.052 -4.240 1.00 0.00 H new ATOM 0 HE22 GLN A 54 15.229 9.034 -3.236 1.00 0.00 H new ATOM 835 N PRO A 55 9.838 4.833 -2.383 1.00 0.00 N ATOM 836 CA PRO A 55 9.562 3.996 -1.214 1.00 0.00 C ATOM 837 C PRO A 55 10.753 3.892 -0.264 1.00 0.00 C ATOM 838 O PRO A 55 11.188 2.795 0.088 1.00 0.00 O ATOM 839 CB PRO A 55 9.215 2.621 -1.798 1.00 0.00 C ATOM 840 CG PRO A 55 9.186 2.785 -3.286 1.00 0.00 C ATOM 841 CD PRO A 55 9.955 4.033 -3.610 1.00 0.00 C ATOM 0 HA PRO A 55 8.759 4.421 -0.611 1.00 0.00 H new ATOM 0 HB2 PRO A 55 9.955 1.877 -1.504 1.00 0.00 H new ATOM 0 HB3 PRO A 55 8.250 2.274 -1.427 1.00 0.00 H new ATOM 0 HG2 PRO A 55 9.632 1.920 -3.777 1.00 0.00 H new ATOM 0 HG3 PRO A 55 8.160 2.861 -3.645 1.00 0.00 H new ATOM 0 HD2 PRO A 55 10.996 3.813 -3.849 1.00 0.00 H new ATOM 0 HD3 PRO A 55 9.533 4.553 -4.470 1.00 0.00 H new ATOM 849 N THR A 56 11.260 5.042 0.165 1.00 0.00 N ATOM 850 CA THR A 56 12.379 5.091 1.094 1.00 0.00 C ATOM 851 C THR A 56 11.898 5.674 2.430 1.00 0.00 C ATOM 852 O THR A 56 12.194 5.122 3.490 1.00 0.00 O ATOM 853 CB THR A 56 13.508 5.952 0.523 1.00 0.00 C ATOM 854 OG1 THR A 56 13.026 6.795 -0.509 1.00 0.00 O ATOM 855 CG2 THR A 56 14.651 5.138 -0.046 1.00 0.00 C ATOM 0 H THR A 56 10.910 5.957 -0.119 1.00 0.00 H new ATOM 0 HA THR A 56 12.761 4.082 1.251 1.00 0.00 H new ATOM 0 HB THR A 56 13.880 6.535 1.366 1.00 0.00 H new ATOM 0 HG1 THR A 56 13.773 7.294 -0.899 1.00 0.00 H new ATOM 0 HG21 THR A 56 15.417 5.809 -0.434 1.00 0.00 H new ATOM 0 HG22 THR A 56 15.079 4.513 0.738 1.00 0.00 H new ATOM 0 HG23 THR A 56 14.281 4.505 -0.852 1.00 0.00 H new ATOM 863 N THR A 57 11.142 6.794 2.382 1.00 0.00 N ATOM 864 CA THR A 57 10.630 7.412 3.595 1.00 0.00 C ATOM 865 C THR A 57 9.755 6.439 4.382 1.00 0.00 C ATOM 866 O THR A 57 9.520 6.634 5.576 1.00 0.00 O ATOM 867 CB THR A 57 9.822 8.665 3.244 1.00 0.00 C ATOM 868 OG1 THR A 57 9.283 9.257 4.411 1.00 0.00 O ATOM 869 CG2 THR A 57 8.673 8.389 2.294 1.00 0.00 C ATOM 0 H THR A 57 10.883 7.273 1.520 1.00 0.00 H new ATOM 0 HA THR A 57 11.481 7.689 4.218 1.00 0.00 H new ATOM 0 HB THR A 57 10.526 9.336 2.752 1.00 0.00 H new ATOM 0 HG1 THR A 57 8.772 10.056 4.166 1.00 0.00 H new ATOM 0 HG21 THR A 57 8.142 9.318 2.086 1.00 0.00 H new ATOM 0 HG22 THR A 57 9.062 7.977 1.363 1.00 0.00 H new ATOM 0 HG23 THR A 57 7.988 7.673 2.749 1.00 0.00 H new ATOM 877 N GLY A 58 9.262 5.398 3.711 1.00 0.00 N ATOM 878 CA GLY A 58 8.410 4.431 4.381 1.00 0.00 C ATOM 879 C GLY A 58 7.023 4.331 3.729 1.00 0.00 C ATOM 880 O GLY A 58 6.096 4.988 4.200 1.00 0.00 O ATOM 0 H GLY A 58 9.436 5.209 2.724 1.00 0.00 H new ATOM 0 HA2 GLY A 58 8.890 3.452 4.363 1.00 0.00 H new ATOM 0 HA3 GLY A 58 8.298 4.712 5.428 1.00 0.00 H new ATOM 884 N HIS A 59 6.845 3.544 2.645 1.00 0.00 N ATOM 885 CA HIS A 59 5.533 3.462 2.012 1.00 0.00 C ATOM 886 C HIS A 59 4.613 2.513 2.773 1.00 0.00 C ATOM 887 O HIS A 59 4.966 1.373 3.075 1.00 0.00 O ATOM 888 CB HIS A 59 5.655 3.031 0.547 1.00 0.00 C ATOM 889 CG HIS A 59 5.409 4.154 -0.415 1.00 0.00 C ATOM 890 ND1 HIS A 59 6.074 5.360 -0.340 1.00 0.00 N ATOM 891 CD2 HIS A 59 4.558 4.260 -1.470 1.00 0.00 C ATOM 892 CE1 HIS A 59 5.647 6.160 -1.300 1.00 0.00 C ATOM 893 NE2 HIS A 59 4.728 5.517 -2.000 1.00 0.00 N ATOM 0 H HIS A 59 7.574 2.978 2.210 1.00 0.00 H new ATOM 0 HA HIS A 59 5.091 4.458 2.040 1.00 0.00 H new ATOM 0 HB2 HIS A 59 6.652 2.624 0.375 1.00 0.00 H new ATOM 0 HB3 HIS A 59 4.945 2.228 0.350 1.00 0.00 H new ATOM 0 HD1 HIS A 59 6.786 5.597 0.351 1.00 0.00 H new ATOM 0 HD2 HIS A 59 3.877 3.500 -1.825 1.00 0.00 H new ATOM 0 HE1 HIS A 59 5.990 7.168 -1.482 1.00 0.00 H new ATOM 902 N ARG A 60 3.433 3.029 3.087 1.00 0.00 N ATOM 903 CA ARG A 60 2.410 2.307 3.831 1.00 0.00 C ATOM 904 C ARG A 60 1.148 2.153 2.923 1.00 0.00 C ATOM 905 O ARG A 60 1.113 2.736 1.839 1.00 0.00 O ATOM 906 CB ARG A 60 2.172 3.072 5.150 1.00 0.00 C ATOM 907 CG ARG A 60 1.759 4.523 4.958 1.00 0.00 C ATOM 908 CD ARG A 60 2.968 5.425 4.756 1.00 0.00 C ATOM 909 NE ARG A 60 2.905 6.615 5.602 1.00 0.00 N ATOM 910 CZ ARG A 60 3.976 7.280 6.033 1.00 0.00 C ATOM 911 NH1 ARG A 60 5.196 6.885 5.693 1.00 0.00 N ATOM 912 NH2 ARG A 60 3.826 8.348 6.804 1.00 0.00 N ATOM 0 H ARG A 60 3.155 3.976 2.828 1.00 0.00 H new ATOM 0 HA ARG A 60 2.705 1.293 4.101 1.00 0.00 H new ATOM 0 HB2 ARG A 60 1.400 2.558 5.722 1.00 0.00 H new ATOM 0 HB3 ARG A 60 3.084 3.040 5.746 1.00 0.00 H new ATOM 0 HG2 ARG A 60 1.096 4.603 4.096 1.00 0.00 H new ATOM 0 HG3 ARG A 60 1.194 4.860 5.827 1.00 0.00 H new ATOM 0 HD2 ARG A 60 3.878 4.868 4.979 1.00 0.00 H new ATOM 0 HD3 ARG A 60 3.027 5.725 3.710 1.00 0.00 H new ATOM 0 HE ARG A 60 1.985 6.957 5.879 1.00 0.00 H new ATOM 0 HH11 ARG A 60 5.319 6.066 5.097 1.00 0.00 H new ATOM 0 HH12 ARG A 60 6.010 7.400 6.027 1.00 0.00 H new ATOM 0 HH21 ARG A 60 2.891 8.660 7.067 1.00 0.00 H new ATOM 0 HH22 ARG A 60 4.645 8.858 7.134 1.00 0.00 H new ATOM 926 N LEU A 61 0.158 1.322 3.304 1.00 0.00 N ATOM 927 CA LEU A 61 -1.030 1.057 2.443 1.00 0.00 C ATOM 928 C LEU A 61 -2.366 1.539 3.097 1.00 0.00 C ATOM 929 O LEU A 61 -2.380 1.802 4.295 1.00 0.00 O ATOM 930 CB LEU A 61 -1.108 -0.442 2.120 1.00 0.00 C ATOM 931 CG LEU A 61 -0.269 -0.921 0.918 1.00 0.00 C ATOM 932 CD1 LEU A 61 -1.069 -0.895 -0.371 1.00 0.00 C ATOM 933 CD2 LEU A 61 0.975 -0.081 0.749 1.00 0.00 C ATOM 0 H LEU A 61 0.149 0.823 4.193 1.00 0.00 H new ATOM 0 HA LEU A 61 -0.903 1.630 1.525 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -0.794 -1.000 3.002 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -2.151 -0.699 1.935 1.00 0.00 H new ATOM 0 HG LEU A 61 0.020 -1.951 1.130 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -0.443 -1.239 -1.195 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -1.935 -1.550 -0.275 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.404 0.123 -0.571 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.545 -0.443 -0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.692 0.958 0.583 1.00 0.00 H new ATOM 0 HD23 LEU A 61 1.586 -0.151 1.649 1.00 0.00 H new ATOM 945 N CYS A 62 -3.482 1.738 2.314 1.00 0.00 N ATOM 946 CA CYS A 62 -4.730 2.276 2.898 1.00 0.00 C ATOM 947 C CYS A 62 -5.846 1.213 3.169 1.00 0.00 C ATOM 948 O CYS A 62 -5.806 0.085 2.698 1.00 0.00 O ATOM 949 CB CYS A 62 -5.171 3.548 2.077 1.00 0.00 C ATOM 950 SG CYS A 62 -5.969 3.334 0.469 1.00 0.00 S ATOM 0 H CYS A 62 -3.528 1.537 1.315 1.00 0.00 H new ATOM 0 HA CYS A 62 -4.525 2.601 3.918 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -5.851 4.123 2.705 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -4.283 4.161 1.923 1.00 0.00 H new ATOM 955 N SER A 63 -6.759 1.595 4.071 1.00 0.00 N ATOM 956 CA SER A 63 -7.860 0.806 4.618 1.00 0.00 C ATOM 957 C SER A 63 -8.517 -0.290 3.750 1.00 0.00 C ATOM 958 O SER A 63 -8.262 -1.484 3.902 1.00 0.00 O ATOM 959 CB SER A 63 -8.945 1.822 5.032 1.00 0.00 C ATOM 960 OG SER A 63 -9.152 1.814 6.434 1.00 0.00 O ATOM 0 H SER A 63 -6.742 2.536 4.464 1.00 0.00 H new ATOM 0 HA SER A 63 -7.410 0.219 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 63 -8.651 2.822 4.712 1.00 0.00 H new ATOM 0 HB3 SER A 63 -9.880 1.586 4.523 1.00 0.00 H new ATOM 0 HG SER A 63 -9.843 2.469 6.666 1.00 0.00 H new ATOM 966 N VAL A 64 -9.480 0.170 2.985 1.00 0.00 N ATOM 967 CA VAL A 64 -10.415 -0.637 2.178 1.00 0.00 C ATOM 968 C VAL A 64 -9.864 -1.682 1.195 1.00 0.00 C ATOM 969 O VAL A 64 -10.494 -1.945 0.170 1.00 0.00 O ATOM 970 CB VAL A 64 -11.327 0.329 1.422 1.00 0.00 C ATOM 971 CG1 VAL A 64 -12.218 1.082 2.396 1.00 0.00 C ATOM 972 CG2 VAL A 64 -10.482 1.305 0.634 1.00 0.00 C ATOM 0 H VAL A 64 -9.656 1.170 2.892 1.00 0.00 H new ATOM 0 HA VAL A 64 -10.913 -1.265 2.917 1.00 0.00 H new ATOM 0 HB VAL A 64 -11.960 -0.237 0.739 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -12.863 1.767 1.845 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -12.832 0.372 2.950 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -11.599 1.648 3.092 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -11.131 1.995 0.094 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -9.843 1.866 1.316 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -9.862 0.758 -0.077 1.00 0.00 H new ATOM 982 N HIS A 65 -8.738 -2.295 1.492 1.00 0.00 N ATOM 983 CA HIS A 65 -8.190 -3.337 0.580 1.00 0.00 C ATOM 984 C HIS A 65 -8.468 -4.780 1.041 1.00 0.00 C ATOM 985 O HIS A 65 -8.983 -5.577 0.261 1.00 0.00 O ATOM 986 CB HIS A 65 -6.694 -3.188 0.376 1.00 0.00 C ATOM 987 CG HIS A 65 -6.238 -1.791 0.391 1.00 0.00 C ATOM 988 ND1 HIS A 65 -7.096 -0.728 0.365 1.00 0.00 N ATOM 989 CD2 HIS A 65 -5.016 -1.295 0.557 1.00 0.00 C ATOM 990 CE1 HIS A 65 -6.416 0.371 0.543 1.00 0.00 C ATOM 991 NE2 HIS A 65 -5.138 0.057 0.673 1.00 0.00 N ATOM 0 H HIS A 65 -8.181 -2.114 2.327 1.00 0.00 H new ATOM 0 HA HIS A 65 -8.718 -3.169 -0.359 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -6.172 -3.741 1.157 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -6.418 -3.642 -0.576 1.00 0.00 H new ATOM 0 HD1 HIS A 65 -8.105 -0.785 0.228 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -4.096 -1.860 0.593 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -6.827 1.369 0.578 1.00 0.00 H new ATOM 999 N PHE A 66 -8.104 -5.139 2.280 1.00 0.00 N ATOM 1000 CA PHE A 66 -8.301 -6.498 2.753 1.00 0.00 C ATOM 1001 C PHE A 66 -9.800 -6.788 2.903 1.00 0.00 C ATOM 1002 O PHE A 66 -10.606 -5.857 2.851 1.00 0.00 O ATOM 1003 CB PHE A 66 -7.563 -6.693 4.091 1.00 0.00 C ATOM 1004 CG PHE A 66 -6.243 -5.962 4.175 1.00 0.00 C ATOM 1005 CD1 PHE A 66 -6.183 -4.639 4.599 1.00 0.00 C ATOM 1006 CD2 PHE A 66 -5.061 -6.599 3.829 1.00 0.00 C ATOM 1007 CE1 PHE A 66 -4.973 -3.972 4.672 1.00 0.00 C ATOM 1008 CE2 PHE A 66 -3.849 -5.937 3.899 1.00 0.00 C ATOM 1009 CZ PHE A 66 -3.804 -4.621 4.320 1.00 0.00 C ATOM 0 H PHE A 66 -7.677 -4.509 2.959 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.891 -7.200 2.027 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.207 -6.354 4.903 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -7.388 -7.758 4.246 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.092 -4.126 4.875 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -5.087 -7.627 3.500 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -4.942 -2.945 5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -2.938 -6.448 3.625 1.00 0.00 H new ATOM 0 HZ PHE A 66 -2.859 -4.101 4.374 1.00 0.00 H new ATOM 1019 N GLN A 67 -10.199 -8.056 3.103 1.00 0.00 N ATOM 1020 CA GLN A 67 -11.607 -8.363 3.265 1.00 0.00 C ATOM 1021 C GLN A 67 -11.917 -8.448 4.784 1.00 0.00 C ATOM 1022 O GLN A 67 -11.026 -8.844 5.533 1.00 0.00 O ATOM 1023 CB GLN A 67 -11.947 -9.693 2.585 1.00 0.00 C ATOM 1024 CG GLN A 67 -13.440 -9.968 2.501 1.00 0.00 C ATOM 1025 CD GLN A 67 -13.942 -10.824 3.648 1.00 0.00 C ATOM 1026 OE1 GLN A 67 -13.483 -10.692 4.783 1.00 0.00 O ATOM 1027 NE2 GLN A 67 -14.888 -11.708 3.357 1.00 0.00 N ATOM 0 H GLN A 67 -9.573 -8.860 3.154 1.00 0.00 H new ATOM 0 HA GLN A 67 -12.210 -7.582 2.801 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -11.528 -9.695 1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -11.466 -10.504 3.132 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -13.980 -9.021 2.496 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -13.661 -10.466 1.557 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -15.239 -11.783 2.402 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -15.264 -12.312 4.088 1.00 0.00 H new ATOM 1036 N GLY A 68 -13.133 -8.100 5.274 1.00 0.00 N ATOM 1037 CA GLY A 68 -13.384 -8.193 6.706 1.00 0.00 C ATOM 1038 C GLY A 68 -12.433 -7.331 7.542 1.00 0.00 C ATOM 1039 O GLY A 68 -12.858 -6.322 8.105 1.00 0.00 O ATOM 0 H GLY A 68 -13.917 -7.767 4.713 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -14.411 -7.891 6.909 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -13.290 -9.233 7.018 1.00 0.00 H new ATOM 1043 N GLY A 69 -11.146 -7.709 7.628 1.00 0.00 N ATOM 1044 CA GLY A 69 -10.199 -6.926 8.404 1.00 0.00 C ATOM 1045 C GLY A 69 -9.143 -7.782 9.082 1.00 0.00 C ATOM 1046 O GLY A 69 -9.443 -8.871 9.572 1.00 0.00 O ATOM 0 H GLY A 69 -10.754 -8.535 7.176 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -9.710 -6.204 7.750 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -10.739 -6.357 9.160 1.00 0.00 H new ATOM 1050 N ARG A 70 -7.906 -7.281 9.114 1.00 0.00 N ATOM 1051 CA ARG A 70 -6.784 -7.986 9.741 1.00 0.00 C ATOM 1052 C ARG A 70 -6.182 -9.036 8.801 1.00 0.00 C ATOM 1053 O ARG A 70 -5.429 -9.908 9.235 1.00 0.00 O ATOM 1054 CB ARG A 70 -7.219 -8.617 11.081 1.00 0.00 C ATOM 1055 CG ARG A 70 -7.410 -10.130 11.053 1.00 0.00 C ATOM 1056 CD ARG A 70 -8.079 -10.631 12.324 1.00 0.00 C ATOM 1057 NE ARG A 70 -7.294 -11.677 12.975 1.00 0.00 N ATOM 1058 CZ ARG A 70 -7.513 -12.105 14.217 1.00 0.00 C ATOM 1059 NH1 ARG A 70 -8.492 -11.581 14.943 1.00 0.00 N ATOM 1060 NH2 ARG A 70 -6.750 -13.058 14.733 1.00 0.00 N ATOM 0 H ARG A 70 -7.654 -6.380 8.708 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.003 -7.254 9.948 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -6.473 -8.375 11.838 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -8.154 -8.154 11.396 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -8.015 -10.405 10.189 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -6.443 -10.618 10.933 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.218 -9.799 13.014 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -9.070 -11.016 12.085 1.00 0.00 H new ATOM 0 HE ARG A 70 -6.533 -12.105 12.447 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -9.081 -10.847 14.550 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.655 -11.912 15.894 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -5.996 -13.463 14.179 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -6.917 -13.386 15.684 1.00 0.00 H new ATOM 1074 N LYS A 71 -6.504 -8.942 7.513 1.00 0.00 N ATOM 1075 CA LYS A 71 -5.980 -9.883 6.527 1.00 0.00 C ATOM 1076 C LYS A 71 -6.436 -11.305 6.841 1.00 0.00 C ATOM 1077 O LYS A 71 -6.094 -11.858 7.886 1.00 0.00 O ATOM 1078 CB LYS A 71 -4.452 -9.825 6.491 1.00 0.00 C ATOM 1079 CG LYS A 71 -3.906 -8.694 5.638 1.00 0.00 C ATOM 1080 CD LYS A 71 -2.443 -8.420 5.946 1.00 0.00 C ATOM 1081 CE LYS A 71 -2.289 -7.526 7.166 1.00 0.00 C ATOM 1082 NZ LYS A 71 -1.762 -6.181 6.807 1.00 0.00 N ATOM 0 H LYS A 71 -7.122 -8.227 7.129 1.00 0.00 H new ATOM 0 HA LYS A 71 -6.369 -9.599 5.549 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -4.077 -9.715 7.509 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -4.070 -10.772 6.111 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.016 -8.947 4.583 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -4.491 -7.791 5.812 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -1.923 -9.363 6.116 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -1.971 -7.947 5.085 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -3.254 -7.417 7.660 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -1.616 -8.000 7.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -1.815 -5.555 7.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -0.772 -6.267 6.500 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.331 -5.780 6.034 1.00 0.00 H new ATOM 1096 N THR A 72 -7.213 -11.892 5.936 1.00 0.00 N ATOM 1097 CA THR A 72 -7.714 -13.248 6.131 1.00 0.00 C ATOM 1098 C THR A 72 -8.524 -13.719 4.928 1.00 0.00 C ATOM 1099 O THR A 72 -8.587 -13.043 3.901 1.00 0.00 O ATOM 1100 CB THR A 72 -8.584 -13.310 7.387 1.00 0.00 C ATOM 1101 OG1 THR A 72 -8.956 -14.646 7.673 1.00 0.00 O ATOM 1102 CG2 THR A 72 -9.854 -12.495 7.269 1.00 0.00 C ATOM 0 H THR A 72 -7.508 -11.452 5.064 1.00 0.00 H new ATOM 0 HA THR A 72 -6.854 -13.908 6.246 1.00 0.00 H new ATOM 0 HB THR A 72 -7.973 -12.892 8.187 1.00 0.00 H new ATOM 0 HG1 THR A 72 -8.186 -15.237 7.535 1.00 0.00 H new ATOM 0 HG21 THR A 72 -10.428 -12.580 8.192 1.00 0.00 H new ATOM 0 HG22 THR A 72 -9.600 -11.449 7.094 1.00 0.00 H new ATOM 0 HG23 THR A 72 -10.450 -12.868 6.436 1.00 0.00 H new ATOM 1110 N TYR A 73 -9.153 -14.882 5.074 1.00 0.00 N ATOM 1111 CA TYR A 73 -9.981 -15.460 4.017 1.00 0.00 C ATOM 1112 C TYR A 73 -9.142 -15.979 2.853 1.00 0.00 C ATOM 1113 O TYR A 73 -9.245 -17.145 2.476 1.00 0.00 O ATOM 1114 CB TYR A 73 -11.008 -14.438 3.514 1.00 0.00 C ATOM 1115 CG TYR A 73 -12.434 -14.788 3.876 1.00 0.00 C ATOM 1116 CD1 TYR A 73 -13.145 -15.728 3.141 1.00 0.00 C ATOM 1117 CD2 TYR A 73 -13.068 -14.178 4.951 1.00 0.00 C ATOM 1118 CE1 TYR A 73 -14.448 -16.052 3.467 1.00 0.00 C ATOM 1119 CE2 TYR A 73 -14.372 -14.496 5.283 1.00 0.00 C ATOM 1120 CZ TYR A 73 -15.057 -15.433 4.538 1.00 0.00 C ATOM 1121 OH TYR A 73 -16.354 -15.753 4.866 1.00 0.00 O ATOM 0 H TYR A 73 -9.105 -15.448 5.921 1.00 0.00 H new ATOM 0 HA TYR A 73 -10.507 -16.310 4.450 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -10.767 -13.459 3.927 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -10.926 -14.356 2.430 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -12.671 -16.214 2.301 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -12.534 -13.444 5.536 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -14.987 -16.786 2.886 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -14.852 -14.013 6.121 1.00 0.00 H new ATOM 0 HH TYR A 73 -16.633 -15.229 5.646 1.00 0.00 H new ATOM 1131 N THR A 74 -8.326 -15.107 2.275 1.00 0.00 N ATOM 1132 CA THR A 74 -7.489 -15.486 1.138 1.00 0.00 C ATOM 1133 C THR A 74 -6.556 -14.356 0.726 1.00 0.00 C ATOM 1134 O THR A 74 -5.483 -14.592 0.170 1.00 0.00 O ATOM 1135 CB THR A 74 -8.362 -15.855 -0.067 1.00 0.00 C ATOM 1136 OG1 THR A 74 -9.742 -15.755 0.251 1.00 0.00 O ATOM 1137 CG2 THR A 74 -8.105 -17.254 -0.588 1.00 0.00 C ATOM 0 H THR A 74 -8.224 -14.136 2.571 1.00 0.00 H new ATOM 0 HA THR A 74 -6.893 -16.343 1.452 1.00 0.00 H new ATOM 0 HB THR A 74 -8.090 -15.141 -0.844 1.00 0.00 H new ATOM 0 HG1 THR A 74 -10.277 -15.994 -0.535 1.00 0.00 H new ATOM 0 HG21 THR A 74 -8.756 -17.450 -1.440 1.00 0.00 H new ATOM 0 HG22 THR A 74 -7.064 -17.341 -0.899 1.00 0.00 H new ATOM 0 HG23 THR A 74 -8.310 -17.979 0.200 1.00 0.00 H new ATOM 1145 N VAL A 75 -6.992 -13.127 0.958 1.00 0.00 N ATOM 1146 CA VAL A 75 -6.216 -11.961 0.565 1.00 0.00 C ATOM 1147 C VAL A 75 -5.102 -11.635 1.562 1.00 0.00 C ATOM 1148 O VAL A 75 -5.365 -11.337 2.727 1.00 0.00 O ATOM 1149 CB VAL A 75 -7.114 -10.714 0.377 1.00 0.00 C ATOM 1150 CG1 VAL A 75 -6.670 -9.941 -0.850 1.00 0.00 C ATOM 1151 CG2 VAL A 75 -8.578 -11.104 0.243 1.00 0.00 C ATOM 0 H VAL A 75 -7.878 -12.912 1.416 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.757 -12.220 -0.389 1.00 0.00 H new ATOM 0 HB VAL A 75 -7.012 -10.085 1.261 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -7.305 -9.065 -0.977 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -5.635 -9.624 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -6.750 -10.579 -1.730 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -9.183 -10.207 0.112 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -8.703 -11.755 -0.622 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.898 -11.630 1.143 1.00 0.00 H new ATOM 1161 N ARG A 76 -3.852 -11.684 1.087 1.00 0.00 N ATOM 1162 CA ARG A 76 -2.695 -11.380 1.929 1.00 0.00 C ATOM 1163 C ARG A 76 -2.036 -10.073 1.488 1.00 0.00 C ATOM 1164 O ARG A 76 -1.689 -9.233 2.319 1.00 0.00 O ATOM 1165 CB ARG A 76 -1.668 -12.524 1.903 1.00 0.00 C ATOM 1166 CG ARG A 76 -1.805 -13.472 0.719 1.00 0.00 C ATOM 1167 CD ARG A 76 -0.455 -14.024 0.287 1.00 0.00 C ATOM 1168 NE ARG A 76 -0.232 -13.857 -1.147 1.00 0.00 N ATOM 1169 CZ ARG A 76 0.970 -13.891 -1.719 1.00 0.00 C ATOM 1170 NH1 ARG A 76 2.057 -14.093 -0.986 1.00 0.00 N ATOM 1171 NH2 ARG A 76 1.084 -13.725 -3.030 1.00 0.00 N ATOM 0 H ARG A 76 -3.619 -11.931 0.125 1.00 0.00 H new ATOM 0 HA ARG A 76 -3.053 -11.267 2.952 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -0.666 -12.095 1.894 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -1.761 -13.099 2.824 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -2.467 -14.296 0.986 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -2.269 -12.948 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 76 0.337 -13.518 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -0.397 -15.082 0.543 1.00 0.00 H new ATOM 0 HE ARG A 76 -1.044 -13.706 -1.745 1.00 0.00 H new ATOM 0 HH11 ARG A 76 1.975 -14.223 0.022 1.00 0.00 H new ATOM 0 HH12 ARG A 76 2.975 -14.118 -1.431 1.00 0.00 H new ATOM 0 HH21 ARG A 76 0.251 -13.571 -3.599 1.00 0.00 H new ATOM 0 HH22 ARG A 76 2.004 -13.751 -3.469 1.00 0.00 H new ATOM 1185 N VAL A 77 -1.879 -9.900 0.177 1.00 0.00 N ATOM 1186 CA VAL A 77 -1.279 -8.687 -0.371 1.00 0.00 C ATOM 1187 C VAL A 77 -2.400 -7.718 -0.775 1.00 0.00 C ATOM 1188 O VAL A 77 -3.324 -8.108 -1.487 1.00 0.00 O ATOM 1189 CB VAL A 77 -0.365 -9.024 -1.595 1.00 0.00 C ATOM 1190 CG1 VAL A 77 0.149 -10.453 -1.506 1.00 0.00 C ATOM 1191 CG2 VAL A 77 -1.096 -8.812 -2.910 1.00 0.00 C ATOM 0 H VAL A 77 -2.159 -10.585 -0.525 1.00 0.00 H new ATOM 0 HA VAL A 77 -0.650 -8.218 0.386 1.00 0.00 H new ATOM 0 HB VAL A 77 0.484 -8.342 -1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 77 0.782 -10.666 -2.367 1.00 0.00 H new ATOM 0 HG12 VAL A 77 0.728 -10.575 -0.591 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -0.695 -11.143 -1.496 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -0.432 -9.055 -3.739 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -1.974 -9.458 -2.947 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -1.408 -7.771 -2.989 1.00 0.00 H new ATOM 1201 N PRO A 78 -2.364 -6.454 -0.294 1.00 0.00 N ATOM 1202 CA PRO A 78 -3.408 -5.448 -0.577 1.00 0.00 C ATOM 1203 C PRO A 78 -3.714 -5.151 -2.013 1.00 0.00 C ATOM 1204 O PRO A 78 -3.980 -3.984 -2.315 1.00 0.00 O ATOM 1205 CB PRO A 78 -2.833 -4.182 0.046 1.00 0.00 C ATOM 1206 CG PRO A 78 -2.045 -4.689 1.187 1.00 0.00 C ATOM 1207 CD PRO A 78 -1.343 -5.888 0.625 1.00 0.00 C ATOM 0 HA PRO A 78 -4.356 -5.823 -0.191 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -2.210 -3.634 -0.661 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -3.620 -3.502 0.372 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -1.337 -3.943 1.549 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -2.684 -4.956 2.028 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -0.429 -5.614 0.098 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -1.061 -6.596 1.404 1.00 0.00 H new ATOM 1215 N THR A 79 -3.781 -6.118 -2.918 1.00 0.00 N ATOM 1216 CA THR A 79 -4.177 -5.674 -4.218 1.00 0.00 C ATOM 1217 C THR A 79 -5.632 -6.029 -4.447 1.00 0.00 C ATOM 1218 O THR A 79 -5.984 -7.173 -4.733 1.00 0.00 O ATOM 1219 CB THR A 79 -3.304 -6.337 -5.299 1.00 0.00 C ATOM 1220 OG1 THR A 79 -2.374 -7.228 -4.717 1.00 0.00 O ATOM 1221 CG2 THR A 79 -2.521 -5.349 -6.130 1.00 0.00 C ATOM 0 H THR A 79 -3.587 -7.111 -2.789 1.00 0.00 H new ATOM 0 HA THR A 79 -4.048 -4.593 -4.280 1.00 0.00 H new ATOM 0 HB THR A 79 -4.006 -6.861 -5.948 1.00 0.00 H new ATOM 0 HG1 THR A 79 -2.586 -8.145 -4.989 1.00 0.00 H new ATOM 0 HG21 THR A 79 -1.929 -5.886 -6.871 1.00 0.00 H new ATOM 0 HG22 THR A 79 -3.210 -4.673 -6.637 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.858 -4.774 -5.483 1.00 0.00 H new ATOM 1229 N ILE A 80 -6.445 -4.985 -4.436 1.00 0.00 N ATOM 1230 CA ILE A 80 -7.856 -5.080 -4.764 1.00 0.00 C ATOM 1231 C ILE A 80 -8.125 -4.042 -5.853 1.00 0.00 C ATOM 1232 O ILE A 80 -8.326 -2.881 -5.525 1.00 0.00 O ATOM 1233 CB ILE A 80 -8.743 -4.872 -3.489 1.00 0.00 C ATOM 1234 CG1 ILE A 80 -9.489 -6.168 -3.135 1.00 0.00 C ATOM 1235 CG2 ILE A 80 -9.733 -3.722 -3.633 1.00 0.00 C ATOM 1236 CD1 ILE A 80 -8.840 -6.962 -2.020 1.00 0.00 C ATOM 0 H ILE A 80 -6.141 -4.041 -4.197 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.116 -6.072 -5.134 1.00 0.00 H new ATOM 0 HB ILE A 80 -8.063 -4.607 -2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -10.510 -5.921 -2.845 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -9.553 -6.794 -4.025 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -10.318 -3.629 -2.718 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -9.190 -2.794 -3.813 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.401 -3.920 -4.472 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -9.423 -7.862 -1.827 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -7.828 -7.241 -2.314 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -8.801 -6.354 -1.116 1.00 0.00 H new ATOM 1248 N PHE A 81 -8.140 -4.409 -7.127 1.00 0.00 N ATOM 1249 CA PHE A 81 -8.375 -3.408 -8.171 1.00 0.00 C ATOM 1250 C PHE A 81 -8.749 -4.084 -9.485 1.00 0.00 C ATOM 1251 O PHE A 81 -7.874 -4.752 -10.076 1.00 0.00 O ATOM 1252 CB PHE A 81 -7.135 -2.486 -8.392 1.00 0.00 C ATOM 1253 CG PHE A 81 -6.228 -2.260 -7.186 1.00 0.00 C ATOM 1254 CD1 PHE A 81 -6.681 -1.591 -6.052 1.00 0.00 C ATOM 1255 CD2 PHE A 81 -4.915 -2.719 -7.188 1.00 0.00 C ATOM 1256 CE1 PHE A 81 -5.860 -1.399 -4.958 1.00 0.00 C ATOM 1257 CE2 PHE A 81 -4.091 -2.529 -6.087 1.00 0.00 C ATOM 1258 CZ PHE A 81 -4.568 -1.871 -4.967 1.00 0.00 C ATOM 1259 OXT PHE A 81 -9.914 -3.942 -9.912 1.00 0.00 O ATOM 0 H PHE A 81 -7.997 -5.362 -7.461 1.00 0.00 H new ATOM 0 HA PHE A 81 -9.202 -2.784 -7.832 1.00 0.00 H new ATOM 0 HB2 PHE A 81 -6.534 -2.911 -9.196 1.00 0.00 H new ATOM 0 HB3 PHE A 81 -7.490 -1.515 -8.738 1.00 0.00 H new ATOM 0 HD1 PHE A 81 -7.693 -1.215 -6.027 1.00 0.00 H new ATOM 0 HD2 PHE A 81 -4.531 -3.230 -8.058 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -6.234 -0.875 -4.091 1.00 0.00 H new ATOM 0 HE2 PHE A 81 -3.075 -2.896 -6.105 1.00 0.00 H new ATOM 0 HZ PHE A 81 -3.931 -1.729 -4.107 1.00 0.00 H new TER 1269 PHE A 81 HETATM 1270 ZN ZN A 82 -5.138 1.526 -0.671 1.00 0.00 ZN