USER MOD reduce.3.24.130724 H: found=0, std=0, add=374, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 374 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 147:sc= 0.0141 (180deg=0) USER MOD Single : A 3 ASN : amide:sc= -0.813 K(o=-0.81,f=-3.7!) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot -98:sc= 1.03 USER MOD Single : A 18 TYR OH : rot 180:sc= -1.48 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -0.659 X(o=-0.66,f=-0.91) USER MOD Single : A 41 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.262 -15.638 -15.366 1.00 0.00 N ATOM 2 CA MET A 1 -2.346 -16.785 -14.444 1.00 0.00 C ATOM 3 C MET A 1 -3.081 -16.375 -13.177 1.00 0.00 C ATOM 4 O MET A 1 -2.913 -15.264 -12.676 1.00 0.00 O ATOM 5 CB MET A 1 -0.957 -17.340 -14.156 1.00 0.00 C ATOM 6 CG MET A 1 -0.668 -18.546 -15.013 1.00 0.00 C ATOM 7 SD MET A 1 0.864 -19.316 -14.374 1.00 0.00 S ATOM 8 CE MET A 1 1.372 -20.249 -15.826 1.00 0.00 C ATOM 0 H1 MET A 1 -1.373 -15.689 -15.904 1.00 0.00 H new ATOM 0 H2 MET A 1 -3.067 -15.662 -16.024 1.00 0.00 H new ATOM 0 H3 MET A 1 -2.286 -14.752 -14.821 1.00 0.00 H new ATOM 0 HA MET A 1 -2.917 -17.588 -14.910 1.00 0.00 H new ATOM 0 HB2 MET A 1 -0.208 -16.570 -14.342 1.00 0.00 H new ATOM 0 HB3 MET A 1 -0.881 -17.611 -13.103 1.00 0.00 H new ATOM 0 HG2 MET A 1 -1.498 -19.252 -14.974 1.00 0.00 H new ATOM 0 HG3 MET A 1 -0.545 -18.255 -16.056 1.00 0.00 H new ATOM 0 HE1 MET A 1 2.297 -20.783 -15.610 1.00 0.00 H new ATOM 0 HE2 MET A 1 0.593 -20.964 -16.090 1.00 0.00 H new ATOM 0 HE3 MET A 1 1.534 -19.565 -16.659 1.00 0.00 H new ATOM 20 N VAL A 2 -3.897 -17.292 -12.665 1.00 0.00 N ATOM 21 CA VAL A 2 -4.798 -16.987 -11.562 1.00 0.00 C ATOM 22 C VAL A 2 -4.355 -17.719 -10.298 1.00 0.00 C ATOM 23 O VAL A 2 -4.363 -18.949 -10.248 1.00 0.00 O ATOM 24 CB VAL A 2 -6.258 -17.287 -11.962 1.00 0.00 C ATOM 25 CG1 VAL A 2 -6.894 -16.146 -12.747 1.00 0.00 C ATOM 26 CG2 VAL A 2 -6.373 -18.598 -12.723 1.00 0.00 C ATOM 0 H VAL A 2 -3.951 -18.254 -12.999 1.00 0.00 H new ATOM 0 HA VAL A 2 -4.753 -15.922 -11.335 1.00 0.00 H new ATOM 0 HB VAL A 2 -6.816 -17.386 -11.031 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -7.920 -16.409 -13.003 1.00 0.00 H new ATOM 0 HG12 VAL A 2 -6.892 -15.241 -12.140 1.00 0.00 H new ATOM 0 HG13 VAL A 2 -6.325 -15.971 -13.660 1.00 0.00 H new ATOM 0 HG21 VAL A 2 -7.416 -18.775 -12.987 1.00 0.00 H new ATOM 0 HG22 VAL A 2 -5.772 -18.546 -13.631 1.00 0.00 H new ATOM 0 HG23 VAL A 2 -6.014 -19.415 -12.097 1.00 0.00 H new ATOM 36 N ASN A 3 -4.213 -16.948 -9.223 1.00 0.00 N ATOM 37 CA ASN A 3 -3.820 -17.496 -7.934 1.00 0.00 C ATOM 38 C ASN A 3 -4.427 -16.674 -6.798 1.00 0.00 C ATOM 39 O ASN A 3 -5.337 -17.132 -6.108 1.00 0.00 O ATOM 40 CB ASN A 3 -2.307 -17.676 -7.832 1.00 0.00 C ATOM 41 CG ASN A 3 -1.525 -16.541 -8.467 1.00 0.00 C ATOM 42 OD1 ASN A 3 -1.649 -16.283 -9.673 1.00 0.00 O ATOM 43 ND2 ASN A 3 -0.686 -15.883 -7.667 1.00 0.00 N ATOM 0 H ASN A 3 -4.365 -15.939 -9.222 1.00 0.00 H new ATOM 0 HA ASN A 3 -4.228 -18.502 -7.838 1.00 0.00 H new ATOM 0 HB2 ASN A 3 -2.028 -17.758 -6.782 1.00 0.00 H new ATOM 0 HB3 ASN A 3 -2.026 -18.614 -8.311 1.00 0.00 H new ATOM 0 HD21 ASN A 3 -0.110 -15.129 -8.041 1.00 0.00 H new ATOM 0 HD22 ASN A 3 -0.620 -16.133 -6.680 1.00 0.00 H new ATOM 50 N LYS A 4 -3.802 -15.535 -6.523 1.00 0.00 N ATOM 51 CA LYS A 4 -4.096 -14.765 -5.322 1.00 0.00 C ATOM 52 C LYS A 4 -4.371 -13.308 -5.679 1.00 0.00 C ATOM 53 O LYS A 4 -5.171 -12.639 -5.027 1.00 0.00 O ATOM 54 CB LYS A 4 -2.944 -14.820 -4.316 1.00 0.00 C ATOM 55 CG LYS A 4 -2.577 -16.236 -3.873 1.00 0.00 C ATOM 56 CD LYS A 4 -3.771 -17.041 -3.396 1.00 0.00 C ATOM 57 CE LYS A 4 -3.558 -17.781 -2.142 1.00 0.00 C ATOM 58 NZ LYS A 4 -2.725 -18.991 -2.359 1.00 0.00 N ATOM 0 H LYS A 4 -3.085 -15.123 -7.120 1.00 0.00 H new ATOM 0 HA LYS A 4 -4.979 -15.211 -4.864 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -2.066 -14.349 -4.758 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -3.213 -14.233 -3.438 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -2.103 -16.758 -4.704 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -1.841 -16.180 -3.071 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -4.616 -16.366 -3.263 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -4.048 -17.750 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -3.075 -17.131 -1.412 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -4.521 -18.071 -1.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -2.594 -19.489 -1.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -3.199 -19.622 -3.037 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -1.798 -18.711 -2.737 1.00 0.00 H new ATOM 72 N GLN A 5 -3.600 -12.798 -6.634 1.00 0.00 N ATOM 73 CA GLN A 5 -3.582 -11.373 -6.933 1.00 0.00 C ATOM 74 C GLN A 5 -2.915 -10.601 -5.798 1.00 0.00 C ATOM 75 O GLN A 5 -2.490 -11.186 -4.804 1.00 0.00 O ATOM 76 CB GLN A 5 -4.974 -10.814 -7.235 1.00 0.00 C ATOM 77 CG GLN A 5 -4.961 -9.596 -8.137 1.00 0.00 C ATOM 78 CD GLN A 5 -6.297 -9.322 -8.782 1.00 0.00 C ATOM 79 OE1 GLN A 5 -7.337 -9.822 -8.363 1.00 0.00 O ATOM 80 NE2 GLN A 5 -6.270 -8.462 -9.798 1.00 0.00 N ATOM 0 H GLN A 5 -2.976 -13.356 -7.217 1.00 0.00 H new ATOM 0 HA GLN A 5 -2.995 -11.243 -7.842 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -5.575 -11.594 -7.702 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -5.463 -10.554 -6.296 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -4.659 -8.724 -7.556 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -4.211 -9.736 -8.915 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -5.382 -8.072 -10.112 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -7.138 -8.193 -10.262 1.00 0.00 H new ATOM 89 N LYS A 6 -2.698 -9.312 -6.036 1.00 0.00 N ATOM 90 CA LYS A 6 -1.852 -8.500 -5.173 1.00 0.00 C ATOM 91 C LYS A 6 -0.426 -9.043 -5.165 1.00 0.00 C ATOM 92 O LYS A 6 -0.150 -10.077 -4.557 1.00 0.00 O ATOM 93 CB LYS A 6 -2.376 -8.462 -3.736 1.00 0.00 C ATOM 94 CG LYS A 6 -1.547 -7.585 -2.796 1.00 0.00 C ATOM 95 CD LYS A 6 -0.529 -8.373 -1.991 1.00 0.00 C ATOM 96 CE LYS A 6 -1.103 -9.363 -1.066 1.00 0.00 C ATOM 97 NZ LYS A 6 -0.532 -9.230 0.297 1.00 0.00 N ATOM 0 H LYS A 6 -3.100 -8.806 -6.825 1.00 0.00 H new ATOM 0 HA LYS A 6 -1.865 -7.487 -5.574 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -3.404 -8.098 -3.744 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -2.400 -9.478 -3.342 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -1.029 -6.824 -3.380 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -2.216 -7.062 -2.113 1.00 0.00 H new ATOM 0 HD2 LYS A 6 0.139 -8.887 -2.682 1.00 0.00 H new ATOM 0 HD3 LYS A 6 0.081 -7.673 -1.419 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -2.185 -9.237 -1.022 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -0.914 -10.368 -1.444 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -0.958 -9.943 0.923 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 0.497 -9.375 0.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -0.734 -8.279 0.667 1.00 0.00 H new ATOM 111 N VAL A 7 0.427 -8.422 -5.974 1.00 0.00 N ATOM 112 CA VAL A 7 1.729 -8.985 -6.302 1.00 0.00 C ATOM 113 C VAL A 7 2.779 -7.878 -6.391 1.00 0.00 C ATOM 114 O VAL A 7 2.436 -6.697 -6.447 1.00 0.00 O ATOM 115 CB VAL A 7 1.640 -9.841 -7.582 1.00 0.00 C ATOM 116 CG1 VAL A 7 0.596 -10.945 -7.476 1.00 0.00 C ATOM 117 CG2 VAL A 7 1.400 -8.984 -8.814 1.00 0.00 C ATOM 0 H VAL A 7 0.236 -7.523 -6.416 1.00 0.00 H new ATOM 0 HA VAL A 7 2.048 -9.655 -5.504 1.00 0.00 H new ATOM 0 HB VAL A 7 2.609 -10.327 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 7 0.575 -11.517 -8.404 1.00 0.00 H new ATOM 0 HG12 VAL A 7 0.849 -11.607 -6.648 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -0.385 -10.503 -7.300 1.00 0.00 H new ATOM 0 HG21 VAL A 7 1.343 -9.622 -9.696 1.00 0.00 H new ATOM 0 HG22 VAL A 7 0.464 -8.438 -8.700 1.00 0.00 H new ATOM 0 HG23 VAL A 7 2.221 -8.276 -8.931 1.00 0.00 H new ATOM 127 N CYS A 8 3.991 -8.296 -6.757 1.00 0.00 N ATOM 128 CA CYS A 8 5.074 -7.370 -7.042 1.00 0.00 C ATOM 129 C CYS A 8 5.390 -7.395 -8.556 1.00 0.00 C ATOM 130 O CYS A 8 6.129 -8.270 -9.039 1.00 0.00 O ATOM 131 CB CYS A 8 6.321 -7.702 -6.229 1.00 0.00 C ATOM 132 SG CYS A 8 7.586 -6.405 -6.230 1.00 0.00 S ATOM 0 H CYS A 8 4.243 -9.279 -6.862 1.00 0.00 H new ATOM 0 HA CYS A 8 4.756 -6.368 -6.755 1.00 0.00 H new ATOM 0 HB2 CYS A 8 6.025 -7.903 -5.199 1.00 0.00 H new ATOM 0 HB3 CYS A 8 6.760 -8.620 -6.619 1.00 0.00 H new ATOM 137 N PRO A 9 5.101 -6.246 -9.205 1.00 0.00 N ATOM 138 CA PRO A 9 5.538 -5.979 -10.597 1.00 0.00 C ATOM 139 C PRO A 9 7.052 -5.870 -10.756 1.00 0.00 C ATOM 140 O PRO A 9 7.558 -5.720 -11.867 1.00 0.00 O ATOM 141 CB PRO A 9 4.804 -4.721 -11.050 1.00 0.00 C ATOM 142 CG PRO A 9 3.775 -4.371 -10.014 1.00 0.00 C ATOM 143 CD PRO A 9 4.140 -5.185 -8.780 1.00 0.00 C ATOM 0 HA PRO A 9 5.282 -6.827 -11.233 1.00 0.00 H new ATOM 0 HB2 PRO A 9 5.507 -3.898 -11.179 1.00 0.00 H new ATOM 0 HB3 PRO A 9 4.328 -4.888 -12.016 1.00 0.00 H new ATOM 0 HG2 PRO A 9 3.786 -3.303 -9.796 1.00 0.00 H new ATOM 0 HG3 PRO A 9 2.771 -4.615 -10.361 1.00 0.00 H new ATOM 0 HD2 PRO A 9 4.588 -4.546 -8.019 1.00 0.00 H new ATOM 0 HD3 PRO A 9 3.249 -5.631 -8.338 1.00 0.00 H new ATOM 151 N ALA A 10 7.723 -5.675 -9.622 1.00 0.00 N ATOM 152 CA ALA A 10 9.172 -5.545 -9.602 1.00 0.00 C ATOM 153 C ALA A 10 9.834 -6.914 -9.710 1.00 0.00 C ATOM 154 O ALA A 10 10.367 -7.277 -10.757 1.00 0.00 O ATOM 155 CB ALA A 10 9.625 -4.807 -8.348 1.00 0.00 C ATOM 0 H ALA A 10 7.282 -5.604 -8.705 1.00 0.00 H new ATOM 0 HA ALA A 10 9.481 -4.956 -10.466 1.00 0.00 H new ATOM 0 HB1 ALA A 10 10.711 -4.719 -8.350 1.00 0.00 H new ATOM 0 HB2 ALA A 10 9.180 -3.812 -8.331 1.00 0.00 H new ATOM 0 HB3 ALA A 10 9.308 -5.361 -7.465 1.00 0.00 H new ATOM 161 N CYS A 11 9.746 -7.684 -8.628 1.00 0.00 N ATOM 162 CA CYS A 11 10.475 -8.935 -8.521 1.00 0.00 C ATOM 163 C CYS A 11 9.657 -10.119 -9.033 1.00 0.00 C ATOM 164 O CYS A 11 10.044 -11.273 -8.757 1.00 0.00 O ATOM 165 CB CYS A 11 11.025 -9.161 -7.121 1.00 0.00 C ATOM 166 SG CYS A 11 9.811 -9.327 -5.798 1.00 0.00 S ATOM 0 H CYS A 11 9.174 -7.459 -7.814 1.00 0.00 H new ATOM 0 HA CYS A 11 11.342 -8.855 -9.177 1.00 0.00 H new ATOM 0 HB2 CYS A 11 11.638 -10.062 -7.137 1.00 0.00 H new ATOM 0 HB3 CYS A 11 11.686 -8.330 -6.876 1.00 0.00 H new ATOM 171 N GLU A 12 8.384 -9.860 -9.304 1.00 0.00 N ATOM 172 CA GLU A 12 7.395 -10.898 -9.545 1.00 0.00 C ATOM 173 C GLU A 12 7.319 -11.862 -8.361 1.00 0.00 C ATOM 174 O GLU A 12 7.143 -13.068 -8.549 1.00 0.00 O ATOM 175 CB GLU A 12 7.706 -11.587 -10.853 1.00 0.00 C ATOM 176 CG GLU A 12 8.789 -12.630 -10.854 1.00 0.00 C ATOM 177 CD GLU A 12 10.129 -12.247 -11.419 1.00 0.00 C ATOM 178 OE1 GLU A 12 10.045 -11.883 -12.612 1.00 0.00 O ATOM 179 OE2 GLU A 12 11.188 -12.454 -10.851 1.00 0.00 O ATOM 0 H GLU A 12 8.007 -8.914 -9.363 1.00 0.00 H new ATOM 0 HA GLU A 12 6.403 -10.456 -9.633 1.00 0.00 H new ATOM 0 HB2 GLU A 12 6.789 -12.055 -11.212 1.00 0.00 H new ATOM 0 HB3 GLU A 12 7.978 -10.821 -11.579 1.00 0.00 H new ATOM 0 HG2 GLU A 12 8.940 -12.957 -9.825 1.00 0.00 H new ATOM 0 HG3 GLU A 12 8.424 -13.492 -11.412 1.00 0.00 H new ATOM 186 N SER A 13 7.186 -11.286 -7.170 1.00 0.00 N ATOM 187 CA SER A 13 6.769 -12.034 -5.993 1.00 0.00 C ATOM 188 C SER A 13 5.267 -11.867 -5.760 1.00 0.00 C ATOM 189 O SER A 13 4.594 -11.160 -6.508 1.00 0.00 O ATOM 190 CB SER A 13 7.562 -11.634 -4.756 1.00 0.00 C ATOM 191 OG SER A 13 7.219 -10.331 -4.319 1.00 0.00 O ATOM 0 H SER A 13 7.363 -10.297 -6.996 1.00 0.00 H new ATOM 0 HA SER A 13 6.977 -13.088 -6.179 1.00 0.00 H new ATOM 0 HB2 SER A 13 7.374 -12.349 -3.955 1.00 0.00 H new ATOM 0 HB3 SER A 13 8.629 -11.676 -4.977 1.00 0.00 H new ATOM 0 HG SER A 13 7.882 -9.690 -4.650 1.00 0.00 H new ATOM 197 N ALA A 14 4.839 -12.283 -4.571 1.00 0.00 N ATOM 198 CA ALA A 14 3.482 -12.035 -4.107 1.00 0.00 C ATOM 199 C ALA A 14 3.460 -11.488 -2.681 1.00 0.00 C ATOM 200 O ALA A 14 2.392 -11.191 -2.142 1.00 0.00 O ATOM 201 CB ALA A 14 2.663 -13.319 -4.196 1.00 0.00 C ATOM 0 H ALA A 14 5.420 -12.797 -3.909 1.00 0.00 H new ATOM 0 HA ALA A 14 3.040 -11.276 -4.753 1.00 0.00 H new ATOM 0 HB1 ALA A 14 1.648 -13.128 -3.848 1.00 0.00 H new ATOM 0 HB2 ALA A 14 2.633 -13.661 -5.231 1.00 0.00 H new ATOM 0 HB3 ALA A 14 3.122 -14.087 -3.573 1.00 0.00 H new ATOM 207 N GLU A 15 4.618 -11.527 -2.037 1.00 0.00 N ATOM 208 CA GLU A 15 4.716 -11.281 -0.605 1.00 0.00 C ATOM 209 C GLU A 15 4.882 -9.783 -0.340 1.00 0.00 C ATOM 210 O GLU A 15 5.989 -9.252 -0.453 1.00 0.00 O ATOM 211 CB GLU A 15 5.900 -12.076 -0.070 1.00 0.00 C ATOM 212 CG GLU A 15 5.962 -13.521 -0.483 1.00 0.00 C ATOM 213 CD GLU A 15 5.711 -14.562 0.573 1.00 0.00 C ATOM 214 OE1 GLU A 15 6.554 -14.939 1.367 1.00 0.00 O ATOM 215 OE2 GLU A 15 4.498 -14.854 0.662 1.00 0.00 O ATOM 0 H GLU A 15 5.510 -11.729 -2.488 1.00 0.00 H new ATOM 0 HA GLU A 15 3.807 -11.601 -0.095 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.818 -11.586 -0.394 1.00 0.00 H new ATOM 0 HB3 GLU A 15 5.881 -12.030 1.019 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.237 -13.673 -1.282 1.00 0.00 H new ATOM 0 HG3 GLU A 15 6.948 -13.706 -0.908 1.00 0.00 H new ATOM 222 N LEU A 16 3.882 -9.225 0.341 1.00 0.00 N ATOM 223 CA LEU A 16 3.894 -7.812 0.690 1.00 0.00 C ATOM 224 C LEU A 16 3.432 -7.617 2.132 1.00 0.00 C ATOM 225 O LEU A 16 3.020 -8.567 2.794 1.00 0.00 O ATOM 226 CB LEU A 16 3.037 -7.062 -0.342 1.00 0.00 C ATOM 227 CG LEU A 16 3.273 -7.397 -1.805 1.00 0.00 C ATOM 228 CD1 LEU A 16 2.222 -6.747 -2.692 1.00 0.00 C ATOM 229 CD2 LEU A 16 4.666 -6.913 -2.197 1.00 0.00 C ATOM 0 H LEU A 16 3.056 -9.732 0.660 1.00 0.00 H new ATOM 0 HA LEU A 16 4.902 -7.400 0.651 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.988 -7.253 -0.115 1.00 0.00 H new ATOM 0 HB3 LEU A 16 3.202 -5.993 -0.208 1.00 0.00 H new ATOM 0 HG LEU A 16 3.199 -8.476 -1.942 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.416 -7.004 -3.733 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.233 -7.106 -2.407 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.263 -5.664 -2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 16 4.851 -7.146 -3.246 1.00 0.00 H new ATOM 0 HD22 LEU A 16 4.732 -5.835 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 16 5.412 -7.411 -1.578 1.00 0.00 H new ATOM 241 N ILE A 17 3.666 -6.415 2.644 1.00 0.00 N ATOM 242 CA ILE A 17 3.453 -6.121 4.053 1.00 0.00 C ATOM 243 C ILE A 17 3.103 -4.648 4.244 1.00 0.00 C ATOM 244 O ILE A 17 3.860 -3.764 3.849 1.00 0.00 O ATOM 245 CB ILE A 17 4.722 -6.532 4.894 1.00 0.00 C ATOM 246 CG1 ILE A 17 5.989 -5.947 4.218 1.00 0.00 C ATOM 247 CG2 ILE A 17 4.826 -8.056 5.108 1.00 0.00 C ATOM 248 CD1 ILE A 17 7.322 -6.357 4.890 1.00 0.00 C ATOM 0 H ILE A 17 4.006 -5.623 2.098 1.00 0.00 H new ATOM 0 HA ILE A 17 2.609 -6.708 4.415 1.00 0.00 H new ATOM 0 HB ILE A 17 4.626 -6.110 5.894 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.009 -6.265 3.176 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.916 -4.859 4.218 1.00 0.00 H new ATOM 0 HG21 ILE A 17 5.718 -8.281 5.693 1.00 0.00 H new ATOM 0 HG22 ILE A 17 3.944 -8.410 5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 17 4.890 -8.556 4.141 1.00 0.00 H new ATOM 0 HD11 ILE A 17 8.155 -5.904 4.353 1.00 0.00 H new ATOM 0 HD12 ILE A 17 7.328 -6.015 5.925 1.00 0.00 H new ATOM 0 HD13 ILE A 17 7.423 -7.442 4.866 1.00 0.00 H new ATOM 260 N TYR A 18 2.062 -4.414 5.039 1.00 0.00 N ATOM 261 CA TYR A 18 1.592 -3.063 5.307 1.00 0.00 C ATOM 262 C TYR A 18 2.461 -2.401 6.375 1.00 0.00 C ATOM 263 O TYR A 18 3.326 -3.045 6.966 1.00 0.00 O ATOM 264 CB TYR A 18 0.109 -3.065 5.732 1.00 0.00 C ATOM 265 CG TYR A 18 -0.490 -1.688 5.905 1.00 0.00 C ATOM 266 CD1 TYR A 18 -0.359 -1.009 7.117 1.00 0.00 C ATOM 267 CD2 TYR A 18 -1.246 -1.090 4.894 1.00 0.00 C ATOM 268 CE1 TYR A 18 -0.944 0.237 7.316 1.00 0.00 C ATOM 269 CE2 TYR A 18 -1.834 0.161 5.074 1.00 0.00 C ATOM 270 CZ TYR A 18 -1.693 0.812 6.298 1.00 0.00 C ATOM 271 OH TYR A 18 -2.306 2.009 6.551 1.00 0.00 O ATOM 0 H TYR A 18 1.529 -5.146 5.508 1.00 0.00 H new ATOM 0 HA TYR A 18 1.673 -2.485 4.386 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -0.470 -3.609 4.986 1.00 0.00 H new ATOM 0 HB3 TYR A 18 0.013 -3.611 6.671 1.00 0.00 H new ATOM 0 HD1 TYR A 18 0.209 -1.460 7.917 1.00 0.00 H new ATOM 0 HD2 TYR A 18 -1.377 -1.607 3.955 1.00 0.00 H new ATOM 0 HE1 TYR A 18 -0.817 0.754 8.256 1.00 0.00 H new ATOM 0 HE2 TYR A 18 -2.393 0.621 4.273 1.00 0.00 H new ATOM 0 HH TYR A 18 -2.796 2.300 5.754 1.00 0.00 H new ATOM 281 N ASP A 19 2.359 -1.077 6.450 1.00 0.00 N ATOM 282 CA ASP A 19 3.295 -0.270 7.214 1.00 0.00 C ATOM 283 C ASP A 19 2.563 0.946 7.817 1.00 0.00 C ATOM 284 O ASP A 19 2.455 2.012 7.192 1.00 0.00 O ATOM 285 CB ASP A 19 4.527 0.106 6.399 1.00 0.00 C ATOM 286 CG ASP A 19 5.804 -0.540 6.904 1.00 0.00 C ATOM 287 OD1 ASP A 19 5.768 -1.607 7.535 1.00 0.00 O ATOM 288 OD2 ASP A 19 6.872 0.026 6.589 1.00 0.00 O ATOM 0 H ASP A 19 1.628 -0.539 5.984 1.00 0.00 H new ATOM 0 HA ASP A 19 3.680 -0.864 8.043 1.00 0.00 H new ATOM 0 HB2 ASP A 19 4.368 -0.183 5.360 1.00 0.00 H new ATOM 0 HB3 ASP A 19 4.646 1.189 6.413 1.00 0.00 H new ATOM 293 N PRO A 20 2.226 0.818 9.118 1.00 0.00 N ATOM 294 CA PRO A 20 1.618 1.924 9.898 1.00 0.00 C ATOM 295 C PRO A 20 2.520 3.151 10.024 1.00 0.00 C ATOM 296 O PRO A 20 2.113 4.171 10.579 1.00 0.00 O ATOM 297 CB PRO A 20 1.225 1.338 11.248 1.00 0.00 C ATOM 298 CG PRO A 20 1.403 -0.150 11.195 1.00 0.00 C ATOM 299 CD PRO A 20 2.230 -0.424 9.947 1.00 0.00 C ATOM 0 HA PRO A 20 0.743 2.310 9.375 1.00 0.00 H new ATOM 0 HB2 PRO A 20 1.841 1.765 12.039 1.00 0.00 H new ATOM 0 HB3 PRO A 20 0.190 1.587 11.481 1.00 0.00 H new ATOM 0 HG2 PRO A 20 1.910 -0.515 12.088 1.00 0.00 H new ATOM 0 HG3 PRO A 20 0.440 -0.658 11.145 1.00 0.00 H new ATOM 0 HD2 PRO A 20 3.249 -0.700 10.217 1.00 0.00 H new ATOM 0 HD3 PRO A 20 1.811 -1.259 9.386 1.00 0.00 H new ATOM 307 N GLU A 21 3.807 2.924 9.773 1.00 0.00 N ATOM 308 CA GLU A 21 4.808 3.976 9.896 1.00 0.00 C ATOM 309 C GLU A 21 4.556 5.063 8.850 1.00 0.00 C ATOM 310 O GLU A 21 4.818 6.239 9.097 1.00 0.00 O ATOM 311 CB GLU A 21 6.181 3.340 9.724 1.00 0.00 C ATOM 312 CG GLU A 21 6.405 2.051 10.471 1.00 0.00 C ATOM 313 CD GLU A 21 7.593 1.216 10.081 1.00 0.00 C ATOM 314 OE1 GLU A 21 8.743 1.618 10.104 1.00 0.00 O ATOM 315 OE2 GLU A 21 7.251 0.127 9.572 1.00 0.00 O ATOM 0 H GLU A 21 4.180 2.020 9.483 1.00 0.00 H new ATOM 0 HA GLU A 21 4.753 4.452 10.875 1.00 0.00 H new ATOM 0 HB2 GLU A 21 6.345 3.156 8.662 1.00 0.00 H new ATOM 0 HB3 GLU A 21 6.936 4.059 10.043 1.00 0.00 H new ATOM 0 HG2 GLU A 21 6.495 2.289 11.531 1.00 0.00 H new ATOM 0 HG3 GLU A 21 5.511 1.437 10.357 1.00 0.00 H new ATOM 322 N ARG A 22 4.335 4.610 7.618 1.00 0.00 N ATOM 323 CA ARG A 22 4.165 5.509 6.488 1.00 0.00 C ATOM 324 C ARG A 22 2.714 5.500 6.014 1.00 0.00 C ATOM 325 O ARG A 22 2.312 6.337 5.206 1.00 0.00 O ATOM 326 CB ARG A 22 5.091 5.139 5.321 1.00 0.00 C ATOM 327 CG ARG A 22 6.575 5.169 5.655 1.00 0.00 C ATOM 328 CD ARG A 22 7.414 4.860 4.461 1.00 0.00 C ATOM 329 NE ARG A 22 8.830 4.786 4.792 1.00 0.00 N ATOM 330 CZ ARG A 22 9.802 5.003 3.902 1.00 0.00 C ATOM 331 NH1 ARG A 22 9.541 5.500 2.696 1.00 0.00 N ATOM 332 NH2 ARG A 22 11.067 4.769 4.249 1.00 0.00 N ATOM 0 H ARG A 22 4.270 3.620 7.380 1.00 0.00 H new ATOM 0 HA ARG A 22 4.431 6.510 6.828 1.00 0.00 H new ATOM 0 HB2 ARG A 22 4.831 4.140 4.971 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.904 5.825 4.495 1.00 0.00 H new ATOM 0 HG2 ARG A 22 6.841 6.152 6.043 1.00 0.00 H new ATOM 0 HG3 ARG A 22 6.785 4.448 6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 22 7.093 3.912 4.028 1.00 0.00 H new ATOM 0 HD3 ARG A 22 7.259 5.626 3.701 1.00 0.00 H new ATOM 0 HE ARG A 22 9.093 4.557 5.751 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.581 5.724 2.434 1.00 0.00 H new ATOM 0 HH12 ARG A 22 10.301 5.657 2.034 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.284 4.428 5.185 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.818 4.931 3.578 1.00 0.00 H new ATOM 346 N GLY A 23 2.002 4.440 6.382 1.00 0.00 N ATOM 347 CA GLY A 23 0.709 4.133 5.785 1.00 0.00 C ATOM 348 C GLY A 23 0.895 3.546 4.388 1.00 0.00 C ATOM 349 O GLY A 23 0.406 4.098 3.404 1.00 0.00 O ATOM 0 H GLY A 23 2.302 3.776 7.096 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.169 3.426 6.415 1.00 0.00 H new ATOM 0 HA3 GLY A 23 0.103 5.037 5.729 1.00 0.00 H new ATOM 353 N GLU A 24 1.721 2.510 4.310 1.00 0.00 N ATOM 354 CA GLU A 24 2.233 2.029 3.029 1.00 0.00 C ATOM 355 C GLU A 24 2.250 0.501 3.015 1.00 0.00 C ATOM 356 O GLU A 24 2.648 -0.130 3.992 1.00 0.00 O ATOM 357 CB GLU A 24 3.629 2.609 2.842 1.00 0.00 C ATOM 358 CG GLU A 24 4.297 2.303 1.528 1.00 0.00 C ATOM 359 CD GLU A 24 4.803 3.464 0.717 1.00 0.00 C ATOM 360 OE1 GLU A 24 3.879 4.041 0.101 1.00 0.00 O ATOM 361 OE2 GLU A 24 5.936 3.905 0.796 1.00 0.00 O ATOM 0 H GLU A 24 2.052 1.985 5.119 1.00 0.00 H new ATOM 0 HA GLU A 24 1.595 2.350 2.205 1.00 0.00 H new ATOM 0 HB2 GLU A 24 3.570 3.692 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 24 4.266 2.240 3.646 1.00 0.00 H new ATOM 0 HG2 GLU A 24 5.139 1.639 1.726 1.00 0.00 H new ATOM 0 HG3 GLU A 24 3.590 1.747 0.913 1.00 0.00 H new ATOM 368 N ILE A 25 1.969 -0.060 1.845 1.00 0.00 N ATOM 369 CA ILE A 25 2.167 -1.481 1.604 1.00 0.00 C ATOM 370 C ILE A 25 3.390 -1.696 0.711 1.00 0.00 C ATOM 371 O ILE A 25 3.666 -0.876 -0.165 1.00 0.00 O ATOM 372 CB ILE A 25 0.874 -2.126 0.980 1.00 0.00 C ATOM 373 CG1 ILE A 25 -0.382 -1.565 1.697 1.00 0.00 C ATOM 374 CG2 ILE A 25 0.908 -3.670 0.997 1.00 0.00 C ATOM 375 CD1 ILE A 25 -0.959 -0.277 1.060 1.00 0.00 C ATOM 0 H ILE A 25 1.601 0.453 1.044 1.00 0.00 H new ATOM 0 HA ILE A 25 2.352 -1.979 2.556 1.00 0.00 H new ATOM 0 HB ILE A 25 0.833 -1.849 -0.074 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -1.156 -2.332 1.701 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -0.130 -1.360 2.738 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -0.009 -4.059 0.554 1.00 0.00 H new ATOM 0 HG22 ILE A 25 1.765 -4.021 0.423 1.00 0.00 H new ATOM 0 HG23 ILE A 25 0.992 -4.021 2.026 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -1.834 0.047 1.623 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -0.204 0.509 1.080 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -1.245 -0.478 0.028 1.00 0.00 H new ATOM 387 N VAL A 26 4.216 -2.662 1.100 1.00 0.00 N ATOM 388 CA VAL A 26 5.548 -2.809 0.523 1.00 0.00 C ATOM 389 C VAL A 26 5.792 -4.268 0.129 1.00 0.00 C ATOM 390 O VAL A 26 5.118 -5.167 0.631 1.00 0.00 O ATOM 391 CB VAL A 26 6.621 -2.252 1.476 1.00 0.00 C ATOM 392 CG1 VAL A 26 7.972 -2.066 0.793 1.00 0.00 C ATOM 393 CG2 VAL A 26 6.173 -0.962 2.145 1.00 0.00 C ATOM 0 H VAL A 26 3.987 -3.355 1.812 1.00 0.00 H new ATOM 0 HA VAL A 26 5.616 -2.218 -0.390 1.00 0.00 H new ATOM 0 HB VAL A 26 6.752 -3.006 2.253 1.00 0.00 H new ATOM 0 HG11 VAL A 26 8.691 -1.671 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 26 8.325 -3.026 0.417 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.867 -1.368 -0.037 1.00 0.00 H new ATOM 0 HG21 VAL A 26 6.960 -0.604 2.809 1.00 0.00 H new ATOM 0 HG22 VAL A 26 5.970 -0.209 1.384 1.00 0.00 H new ATOM 0 HG23 VAL A 26 5.268 -1.147 2.723 1.00 0.00 H new ATOM 403 N CYS A 27 6.978 -4.485 -0.440 1.00 0.00 N ATOM 404 CA CYS A 27 7.433 -5.831 -0.772 1.00 0.00 C ATOM 405 C CYS A 27 8.388 -6.337 0.314 1.00 0.00 C ATOM 406 O CYS A 27 9.469 -5.765 0.491 1.00 0.00 O ATOM 407 CB CYS A 27 8.069 -5.865 -2.153 1.00 0.00 C ATOM 408 SG CYS A 27 8.414 -7.515 -2.812 1.00 0.00 S ATOM 0 H CYS A 27 7.639 -3.746 -0.679 1.00 0.00 H new ATOM 0 HA CYS A 27 6.574 -6.502 -0.805 1.00 0.00 H new ATOM 0 HB2 CYS A 27 7.411 -5.345 -2.850 1.00 0.00 H new ATOM 0 HB3 CYS A 27 9.003 -5.304 -2.118 1.00 0.00 H new ATOM 413 N ALA A 28 8.205 -7.620 0.642 1.00 0.00 N ATOM 414 CA ALA A 28 9.060 -8.282 1.617 1.00 0.00 C ATOM 415 C ALA A 28 10.184 -9.036 0.913 1.00 0.00 C ATOM 416 O ALA A 28 10.676 -10.049 1.405 1.00 0.00 O ATOM 417 CB ALA A 28 8.231 -9.223 2.488 1.00 0.00 C ATOM 0 H ALA A 28 7.475 -8.213 0.246 1.00 0.00 H new ATOM 0 HA ALA A 28 9.512 -7.528 2.261 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.880 -9.713 3.214 1.00 0.00 H new ATOM 0 HB2 ALA A 28 7.465 -8.652 3.013 1.00 0.00 H new ATOM 0 HB3 ALA A 28 7.756 -9.976 1.860 1.00 0.00 H new ATOM 423 N LYS A 29 10.545 -8.556 -0.275 1.00 0.00 N ATOM 424 CA LYS A 29 11.324 -9.354 -1.216 1.00 0.00 C ATOM 425 C LYS A 29 12.283 -8.470 -2.002 1.00 0.00 C ATOM 426 O LYS A 29 13.405 -8.870 -2.307 1.00 0.00 O ATOM 427 CB LYS A 29 10.427 -10.117 -2.192 1.00 0.00 C ATOM 428 CG LYS A 29 10.672 -11.627 -2.206 1.00 0.00 C ATOM 429 CD LYS A 29 11.727 -12.048 -3.213 1.00 0.00 C ATOM 430 CE LYS A 29 13.036 -12.385 -2.632 1.00 0.00 C ATOM 431 NZ LYS A 29 14.134 -12.177 -3.610 1.00 0.00 N ATOM 0 H LYS A 29 10.311 -7.621 -0.607 1.00 0.00 H new ATOM 0 HA LYS A 29 11.889 -10.078 -0.629 1.00 0.00 H new ATOM 0 HB2 LYS A 29 9.384 -9.930 -1.934 1.00 0.00 H new ATOM 0 HB3 LYS A 29 10.583 -9.724 -3.197 1.00 0.00 H new ATOM 0 HG2 LYS A 29 10.979 -11.949 -1.211 1.00 0.00 H new ATOM 0 HG3 LYS A 29 9.737 -12.139 -2.432 1.00 0.00 H new ATOM 0 HD2 LYS A 29 11.357 -12.912 -3.765 1.00 0.00 H new ATOM 0 HD3 LYS A 29 11.862 -11.242 -3.935 1.00 0.00 H new ATOM 0 HE2 LYS A 29 13.212 -11.771 -1.749 1.00 0.00 H new ATOM 0 HE3 LYS A 29 13.033 -13.424 -2.302 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 15.043 -12.424 -3.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 13.977 -12.782 -4.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 14.152 -11.180 -3.905 1.00 0.00 H new ATOM 445 N CYS A 30 11.838 -7.248 -2.288 1.00 0.00 N ATOM 446 CA CYS A 30 12.711 -6.225 -2.835 1.00 0.00 C ATOM 447 C CYS A 30 12.671 -4.945 -2.012 1.00 0.00 C ATOM 448 O CYS A 30 13.367 -3.975 -2.330 1.00 0.00 O ATOM 449 CB CYS A 30 12.453 -5.986 -4.315 1.00 0.00 C ATOM 450 SG CYS A 30 10.813 -5.374 -4.749 1.00 0.00 S ATOM 0 H CYS A 30 10.874 -6.947 -2.147 1.00 0.00 H new ATOM 0 HA CYS A 30 13.732 -6.601 -2.764 1.00 0.00 H new ATOM 0 HB2 CYS A 30 13.192 -5.274 -4.681 1.00 0.00 H new ATOM 0 HB3 CYS A 30 12.621 -6.922 -4.848 1.00 0.00 H new ATOM 455 N GLY A 31 11.629 -4.842 -1.180 1.00 0.00 N ATOM 456 CA GLY A 31 11.463 -3.677 -0.323 1.00 0.00 C ATOM 457 C GLY A 31 10.557 -2.631 -0.964 1.00 0.00 C ATOM 458 O GLY A 31 10.427 -1.520 -0.438 1.00 0.00 O ATOM 0 H GLY A 31 10.898 -5.547 -1.086 1.00 0.00 H new ATOM 0 HA2 GLY A 31 11.042 -3.986 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 31 12.438 -3.236 -0.115 1.00 0.00 H new ATOM 462 N TYR A 32 10.272 -2.855 -2.249 1.00 0.00 N ATOM 463 CA TYR A 32 9.519 -1.893 -3.042 1.00 0.00 C ATOM 464 C TYR A 32 8.111 -1.728 -2.467 1.00 0.00 C ATOM 465 O TYR A 32 7.371 -2.711 -2.367 1.00 0.00 O ATOM 466 CB TYR A 32 9.457 -2.309 -4.524 1.00 0.00 C ATOM 467 CG TYR A 32 8.641 -1.378 -5.398 1.00 0.00 C ATOM 468 CD1 TYR A 32 9.047 -0.057 -5.587 1.00 0.00 C ATOM 469 CD2 TYR A 32 7.590 -1.861 -6.183 1.00 0.00 C ATOM 470 CE1 TYR A 32 8.374 0.789 -6.462 1.00 0.00 C ATOM 471 CE2 TYR A 32 6.888 -1.020 -7.044 1.00 0.00 C ATOM 472 CZ TYR A 32 7.298 0.303 -7.194 1.00 0.00 C ATOM 473 OH TYR A 32 6.696 1.148 -8.084 1.00 0.00 O ATOM 0 H TYR A 32 10.553 -3.694 -2.757 1.00 0.00 H new ATOM 0 HA TYR A 32 10.036 -0.935 -2.993 1.00 0.00 H new ATOM 0 HB2 TYR A 32 10.472 -2.362 -4.918 1.00 0.00 H new ATOM 0 HB3 TYR A 32 9.037 -3.313 -4.591 1.00 0.00 H new ATOM 0 HD1 TYR A 32 9.902 0.317 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 32 7.317 -2.904 -6.121 1.00 0.00 H new ATOM 0 HE1 TYR A 32 8.686 1.817 -6.572 1.00 0.00 H new ATOM 0 HE2 TYR A 32 6.033 -1.391 -7.590 1.00 0.00 H new ATOM 0 HH TYR A 32 5.958 0.682 -8.530 1.00 0.00 H new ATOM 483 N VAL A 33 7.657 -0.477 -2.445 1.00 0.00 N ATOM 484 CA VAL A 33 6.276 -0.165 -2.125 1.00 0.00 C ATOM 485 C VAL A 33 5.335 -0.816 -3.144 1.00 0.00 C ATOM 486 O VAL A 33 5.703 -0.992 -4.305 1.00 0.00 O ATOM 487 CB VAL A 33 6.059 1.354 -1.989 1.00 0.00 C ATOM 488 CG1 VAL A 33 4.602 1.715 -1.712 1.00 0.00 C ATOM 489 CG2 VAL A 33 6.972 1.962 -0.937 1.00 0.00 C ATOM 0 H VAL A 33 8.234 0.339 -2.647 1.00 0.00 H new ATOM 0 HA VAL A 33 6.036 -0.589 -1.150 1.00 0.00 H new ATOM 0 HB VAL A 33 6.321 1.784 -2.956 1.00 0.00 H new ATOM 0 HG11 VAL A 33 4.505 2.797 -1.625 1.00 0.00 H new ATOM 0 HG12 VAL A 33 3.977 1.359 -2.531 1.00 0.00 H new ATOM 0 HG13 VAL A 33 4.282 1.246 -0.781 1.00 0.00 H new ATOM 0 HG21 VAL A 33 6.788 3.034 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 33 6.772 1.500 0.030 1.00 0.00 H new ATOM 0 HG23 VAL A 33 8.012 1.788 -1.214 1.00 0.00 H new ATOM 499 N ILE A 34 4.057 -0.810 -2.785 1.00 0.00 N ATOM 500 CA ILE A 34 2.997 -1.256 -3.684 1.00 0.00 C ATOM 501 C ILE A 34 1.996 -0.123 -3.896 1.00 0.00 C ATOM 502 O ILE A 34 2.063 0.605 -4.883 1.00 0.00 O ATOM 503 CB ILE A 34 2.323 -2.549 -3.085 1.00 0.00 C ATOM 504 CG1 ILE A 34 3.361 -3.706 -3.106 1.00 0.00 C ATOM 505 CG2 ILE A 34 1.000 -2.937 -3.772 1.00 0.00 C ATOM 506 CD1 ILE A 34 3.613 -4.316 -4.504 1.00 0.00 C ATOM 0 H ILE A 34 3.727 -0.499 -1.871 1.00 0.00 H new ATOM 0 HA ILE A 34 3.404 -1.515 -4.661 1.00 0.00 H new ATOM 0 HB ILE A 34 2.033 -2.333 -2.057 1.00 0.00 H new ATOM 0 HG12 ILE A 34 4.306 -3.336 -2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 34 3.020 -4.495 -2.435 1.00 0.00 H new ATOM 0 HG21 ILE A 34 0.597 -3.836 -3.305 1.00 0.00 H new ATOM 0 HG22 ILE A 34 0.284 -2.122 -3.668 1.00 0.00 H new ATOM 0 HG23 ILE A 34 1.182 -3.128 -4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 34 4.350 -5.115 -4.425 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.681 -4.720 -4.898 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.986 -3.543 -5.176 1.00 0.00 H new ATOM 518 N GLU A 35 1.162 0.086 -2.884 1.00 0.00 N ATOM 519 CA GLU A 35 0.185 1.166 -2.901 1.00 0.00 C ATOM 520 C GLU A 35 0.351 2.043 -1.659 1.00 0.00 C ATOM 521 O GLU A 35 0.949 1.621 -0.671 1.00 0.00 O ATOM 522 CB GLU A 35 -1.204 0.543 -2.964 1.00 0.00 C ATOM 523 CG GLU A 35 -2.358 1.500 -2.828 1.00 0.00 C ATOM 524 CD GLU A 35 -3.435 1.158 -1.836 1.00 0.00 C ATOM 525 OE1 GLU A 35 -3.781 -0.041 -1.918 1.00 0.00 O ATOM 526 OE2 GLU A 35 -3.800 1.905 -0.945 1.00 0.00 O ATOM 0 H GLU A 35 1.144 -0.482 -2.037 1.00 0.00 H new ATOM 0 HA GLU A 35 0.332 1.807 -3.770 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.303 0.017 -3.913 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.282 -0.205 -2.175 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -1.954 2.477 -2.562 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -2.825 1.604 -3.807 1.00 0.00 H new ATOM 533 N GLU A 36 -0.010 3.312 -1.810 1.00 0.00 N ATOM 534 CA GLU A 36 0.335 4.334 -0.829 1.00 0.00 C ATOM 535 C GLU A 36 -0.929 4.826 -0.121 1.00 0.00 C ATOM 536 O GLU A 36 -2.026 4.742 -0.671 1.00 0.00 O ATOM 537 CB GLU A 36 1.042 5.466 -1.561 1.00 0.00 C ATOM 538 CG GLU A 36 2.033 5.049 -2.614 1.00 0.00 C ATOM 539 CD GLU A 36 2.433 6.072 -3.641 1.00 0.00 C ATOM 540 OE1 GLU A 36 1.649 6.616 -4.400 1.00 0.00 O ATOM 541 OE2 GLU A 36 3.627 6.419 -3.514 1.00 0.00 O ATOM 0 H GLU A 36 -0.544 3.659 -2.607 1.00 0.00 H new ATOM 0 HA GLU A 36 0.998 3.930 -0.064 1.00 0.00 H new ATOM 0 HB2 GLU A 36 0.287 6.097 -2.030 1.00 0.00 H new ATOM 0 HB3 GLU A 36 1.560 6.081 -0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 36 2.937 4.710 -2.108 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.621 4.188 -3.141 1.00 0.00 H new ATOM 548 N ASN A 37 -0.719 5.531 0.985 1.00 0.00 N ATOM 549 CA ASN A 37 -1.778 6.301 1.624 1.00 0.00 C ATOM 550 C ASN A 37 -2.811 5.364 2.247 1.00 0.00 C ATOM 551 O ASN A 37 -3.521 4.653 1.538 1.00 0.00 O ATOM 552 CB ASN A 37 -2.369 7.341 0.678 1.00 0.00 C ATOM 553 CG ASN A 37 -3.368 8.265 1.349 1.00 0.00 C ATOM 554 OD1 ASN A 37 -3.247 8.567 2.545 1.00 0.00 O ATOM 555 ND2 ASN A 37 -4.354 8.728 0.582 1.00 0.00 N ATOM 0 H ASN A 37 0.182 5.585 1.460 1.00 0.00 H new ATOM 0 HA ASN A 37 -1.354 6.880 2.444 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -1.561 7.937 0.254 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -2.857 6.831 -0.152 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -5.052 9.360 0.975 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -4.411 8.450 -0.398 1.00 0.00 H new ATOM 562 N ILE A 38 -3.001 5.515 3.554 1.00 0.00 N ATOM 563 CA ILE A 38 -4.137 4.916 4.242 1.00 0.00 C ATOM 564 C ILE A 38 -5.443 5.531 3.736 1.00 0.00 C ATOM 565 O ILE A 38 -5.572 6.757 3.695 1.00 0.00 O ATOM 566 CB ILE A 38 -3.982 5.083 5.801 1.00 0.00 C ATOM 567 CG1 ILE A 38 -5.083 4.251 6.512 1.00 0.00 C ATOM 568 CG2 ILE A 38 -3.988 6.560 6.248 1.00 0.00 C ATOM 569 CD1 ILE A 38 -4.657 3.664 7.880 1.00 0.00 C ATOM 0 H ILE A 38 -2.379 6.050 4.160 1.00 0.00 H new ATOM 0 HA ILE A 38 -4.165 3.848 4.025 1.00 0.00 H new ATOM 0 HB ILE A 38 -3.003 4.703 6.093 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -5.960 4.881 6.658 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -5.383 3.433 5.857 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -3.878 6.613 7.331 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -3.161 7.087 5.773 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -4.930 7.025 5.956 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -5.485 3.098 8.307 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -3.800 3.005 7.742 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -4.386 4.475 8.556 1.00 0.00 H new ATOM 581 N ILE A 39 -6.206 4.706 3.024 1.00 0.00 N ATOM 582 CA ILE A 39 -7.397 5.151 2.321 1.00 0.00 C ATOM 583 C ILE A 39 -7.061 6.251 1.317 1.00 0.00 C ATOM 584 O ILE A 39 -5.877 6.564 1.123 1.00 0.00 O ATOM 585 CB ILE A 39 -8.526 5.565 3.328 1.00 0.00 C ATOM 586 CG1 ILE A 39 -9.914 5.391 2.651 1.00 0.00 C ATOM 587 CG2 ILE A 39 -8.350 6.978 3.921 1.00 0.00 C ATOM 588 CD1 ILE A 39 -10.150 4.000 2.019 1.00 0.00 C ATOM 0 H ILE A 39 -6.012 3.710 2.921 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.792 4.315 1.744 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.453 4.897 4.186 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -10.691 5.576 3.392 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -10.024 6.151 1.877 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.170 7.189 4.607 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.404 7.031 4.459 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -8.352 7.713 3.116 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -11.143 3.968 1.570 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -9.398 3.817 1.251 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -10.076 3.233 2.790 1.00 0.00 H new ATOM 600 N ASP A 40 -8.023 6.518 0.436 1.00 0.00 N ATOM 601 CA ASP A 40 -7.807 7.405 -0.698 1.00 0.00 C ATOM 602 C ASP A 40 -8.913 8.453 -0.771 1.00 0.00 C ATOM 603 O ASP A 40 -10.091 8.117 -0.884 1.00 0.00 O ATOM 604 CB ASP A 40 -7.599 6.624 -1.993 1.00 0.00 C ATOM 605 CG ASP A 40 -7.055 7.474 -3.126 1.00 0.00 C ATOM 606 OD1 ASP A 40 -6.029 8.143 -2.874 1.00 0.00 O ATOM 607 OD2 ASP A 40 -7.623 7.502 -4.228 1.00 0.00 O ATOM 0 H ASP A 40 -8.964 6.128 0.489 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.876 7.953 -0.550 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.912 5.799 -1.805 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.548 6.185 -2.301 1.00 0.00 H new ATOM 612 N MET A 41 -8.500 9.712 -0.869 1.00 0.00 N ATOM 613 CA MET A 41 -9.413 10.801 -1.190 1.00 0.00 C ATOM 614 C MET A 41 -8.644 12.113 -1.324 1.00 0.00 C ATOM 615 O MET A 41 -8.280 12.518 -2.428 1.00 0.00 O ATOM 616 CB MET A 41 -10.533 10.902 -0.157 1.00 0.00 C ATOM 617 CG MET A 41 -11.813 11.378 -0.778 1.00 0.00 C ATOM 618 SD MET A 41 -12.624 9.966 -1.607 1.00 0.00 S ATOM 619 CE MET A 41 -14.120 10.771 -2.200 1.00 0.00 C ATOM 0 H MET A 41 -7.533 10.004 -0.730 1.00 0.00 H new ATOM 0 HA MET A 41 -9.884 10.590 -2.150 1.00 0.00 H new ATOM 0 HB2 MET A 41 -10.692 9.928 0.305 1.00 0.00 H new ATOM 0 HB3 MET A 41 -10.236 11.587 0.637 1.00 0.00 H new ATOM 0 HG2 MET A 41 -12.470 11.796 -0.015 1.00 0.00 H new ATOM 0 HG3 MET A 41 -11.612 12.173 -1.496 1.00 0.00 H new ATOM 0 HE1 MET A 41 -14.736 10.047 -2.734 1.00 0.00 H new ATOM 0 HE2 MET A 41 -14.679 11.169 -1.353 1.00 0.00 H new ATOM 0 HE3 MET A 41 -13.852 11.586 -2.873 1.00 0.00 H new ATOM 629 N GLY A 42 -8.216 12.636 -0.179 1.00 0.00 N ATOM 630 CA GLY A 42 -7.384 13.824 -0.135 1.00 0.00 C ATOM 631 C GLY A 42 -8.010 14.866 0.817 1.00 0.00 C ATOM 632 O GLY A 42 -8.581 15.877 0.384 1.00 0.00 O ATOM 0 H GLY A 42 -8.437 12.247 0.738 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.381 13.564 0.204 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.283 14.246 -1.135 1.00 0.00 H new ATOM 636 N PRO A 43 -8.002 14.527 2.121 1.00 0.00 N ATOM 637 CA PRO A 43 -8.694 15.327 3.161 1.00 0.00 C ATOM 638 C PRO A 43 -8.172 16.760 3.274 1.00 0.00 C ATOM 639 O PRO A 43 -7.153 16.997 3.929 1.00 0.00 O ATOM 640 CB PRO A 43 -8.571 14.550 4.464 1.00 0.00 C ATOM 641 CG PRO A 43 -7.944 13.218 4.173 1.00 0.00 C ATOM 642 CD PRO A 43 -7.394 13.321 2.757 1.00 0.00 C ATOM 0 HA PRO A 43 -9.742 15.460 2.891 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -7.964 15.105 5.179 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -9.553 14.414 4.917 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.150 12.995 4.886 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.677 12.415 4.251 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -6.307 13.404 2.774 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.636 12.424 2.186 1.00 0.00 H new ATOM 650 N GLU A 44 -9.062 17.703 2.974 1.00 0.00 N ATOM 651 CA GLU A 44 -8.803 19.117 3.182 1.00 0.00 C ATOM 652 C GLU A 44 -7.570 19.561 2.395 1.00 0.00 C ATOM 653 O GLU A 44 -7.682 20.330 1.440 1.00 0.00 O ATOM 654 CB GLU A 44 -8.639 19.366 4.676 1.00 0.00 C ATOM 655 CG GLU A 44 -9.577 18.604 5.574 1.00 0.00 C ATOM 656 CD GLU A 44 -8.969 17.745 6.648 1.00 0.00 C ATOM 657 OE1 GLU A 44 -8.117 18.367 7.318 1.00 0.00 O ATOM 658 OE2 GLU A 44 -9.167 16.547 6.753 1.00 0.00 O ATOM 0 H GLU A 44 -9.982 17.504 2.580 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.641 19.709 2.814 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -7.615 19.117 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -8.771 20.431 4.864 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -10.240 19.323 6.054 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -10.199 17.966 4.946 1.00 0.00 H new ATOM 665 N TRP A 45 -6.407 19.302 2.986 1.00 0.00 N ATOM 666 CA TRP A 45 -5.143 19.757 2.433 1.00 0.00 C ATOM 667 C TRP A 45 -4.003 18.848 2.885 1.00 0.00 C ATOM 668 O TRP A 45 -3.930 18.465 4.051 1.00 0.00 O ATOM 669 CB TRP A 45 -4.882 21.227 2.769 1.00 0.00 C ATOM 670 CG TRP A 45 -5.254 21.629 4.153 1.00 0.00 C ATOM 671 CD1 TRP A 45 -6.499 21.939 4.626 1.00 0.00 C ATOM 672 CD2 TRP A 45 -4.362 21.749 5.275 1.00 0.00 C ATOM 673 NE1 TRP A 45 -6.439 22.248 5.965 1.00 0.00 N ATOM 674 CE2 TRP A 45 -5.145 22.137 6.387 1.00 0.00 C ATOM 675 CE3 TRP A 45 -2.992 21.570 5.430 1.00 0.00 C ATOM 676 CZ2 TRP A 45 -4.593 22.334 7.645 1.00 0.00 C ATOM 677 CZ3 TRP A 45 -2.445 21.769 6.681 1.00 0.00 C ATOM 678 CH2 TRP A 45 -3.227 22.142 7.770 1.00 0.00 C ATOM 0 H TRP A 45 -6.318 18.775 3.855 1.00 0.00 H new ATOM 0 HA TRP A 45 -5.200 19.694 1.346 1.00 0.00 H new ATOM 0 HB2 TRP A 45 -3.823 21.437 2.618 1.00 0.00 H new ATOM 0 HB3 TRP A 45 -5.434 21.849 2.065 1.00 0.00 H new ATOM 0 HD1 TRP A 45 -7.401 21.941 4.033 1.00 0.00 H new ATOM 0 HE1 TRP A 45 -7.232 22.516 6.548 1.00 0.00 H new ATOM 0 HE3 TRP A 45 -2.372 21.283 4.593 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 -5.201 22.624 8.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -1.383 21.632 6.819 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -2.759 22.285 8.733 1.00 0.00 H new ATOM 689 N ARG A 46 -3.041 18.654 1.990 1.00 0.00 N ATOM 690 CA ARG A 46 -1.787 17.998 2.333 1.00 0.00 C ATOM 691 C ARG A 46 -0.892 18.946 3.126 1.00 0.00 C ATOM 692 O ARG A 46 -1.141 20.149 3.181 1.00 0.00 O ATOM 693 CB ARG A 46 -1.043 17.506 1.085 1.00 0.00 C ATOM 694 CG ARG A 46 -0.152 16.293 1.316 1.00 0.00 C ATOM 695 CD ARG A 46 -0.940 15.027 1.333 1.00 0.00 C ATOM 696 NE ARG A 46 -0.728 14.266 2.556 1.00 0.00 N ATOM 697 CZ ARG A 46 -1.485 14.407 3.646 1.00 0.00 C ATOM 698 NH1 ARG A 46 -2.612 15.113 3.624 1.00 0.00 N ATOM 699 NH2 ARG A 46 -1.132 13.781 4.770 1.00 0.00 N ATOM 0 H ARG A 46 -3.108 18.945 1.015 1.00 0.00 H new ATOM 0 HA ARG A 46 -2.030 17.130 2.945 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -1.774 17.262 0.315 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -0.432 18.321 0.697 1.00 0.00 H new ATOM 0 HG2 ARG A 46 0.603 16.241 0.532 1.00 0.00 H new ATOM 0 HG3 ARG A 46 0.378 16.405 2.262 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -2.000 15.259 1.230 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -0.663 14.416 0.474 1.00 0.00 H new ATOM 0 HE ARG A 46 0.037 13.592 2.581 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -2.916 15.562 2.760 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -3.173 15.205 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -0.292 13.203 4.789 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -1.702 13.881 5.610 1.00 0.00 H new ATOM 713 N ALA A 47 0.055 18.362 3.850 1.00 0.00 N ATOM 714 CA ALA A 47 0.835 19.097 4.837 1.00 0.00 C ATOM 715 C ALA A 47 2.142 19.590 4.220 1.00 0.00 C ATOM 716 O ALA A 47 2.902 18.807 3.652 1.00 0.00 O ATOM 717 CB ALA A 47 1.102 18.222 6.058 1.00 0.00 C ATOM 0 H ALA A 47 0.302 17.376 3.771 1.00 0.00 H new ATOM 0 HA ALA A 47 0.264 19.967 5.161 1.00 0.00 H new ATOM 0 HB1 ALA A 47 1.686 18.784 6.787 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.154 17.922 6.505 1.00 0.00 H new ATOM 0 HB3 ALA A 47 1.657 17.334 5.755 1.00 0.00 H new ATOM 723 N PHE A 48 2.457 20.852 4.487 1.00 0.00 N ATOM 724 CA PHE A 48 3.768 21.403 4.175 1.00 0.00 C ATOM 725 C PHE A 48 3.971 22.732 4.896 1.00 0.00 C ATOM 726 O PHE A 48 4.506 22.774 6.002 1.00 0.00 O ATOM 727 CB PHE A 48 4.008 21.612 2.657 1.00 0.00 C ATOM 728 CG PHE A 48 5.307 21.016 2.195 1.00 0.00 C ATOM 729 CD1 PHE A 48 6.469 21.756 2.427 1.00 0.00 C ATOM 730 CD2 PHE A 48 5.394 19.795 1.527 1.00 0.00 C ATOM 731 CE1 PHE A 48 7.711 21.265 2.058 1.00 0.00 C ATOM 732 CE2 PHE A 48 6.638 19.280 1.148 1.00 0.00 C ATOM 733 CZ PHE A 48 7.800 20.012 1.449 1.00 0.00 C ATOM 0 H PHE A 48 1.817 21.516 4.922 1.00 0.00 H new ATOM 0 HA PHE A 48 4.491 20.663 4.519 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.187 21.165 2.097 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.001 22.679 2.434 1.00 0.00 H new ATOM 0 HD1 PHE A 48 6.398 22.724 2.900 1.00 0.00 H new ATOM 0 HD2 PHE A 48 4.494 19.243 1.301 1.00 0.00 H new ATOM 0 HE1 PHE A 48 8.603 21.847 2.240 1.00 0.00 H new ATOM 0 HE2 PHE A 48 6.705 18.334 0.632 1.00 0.00 H new ATOM 0 HZ PHE A 48 8.769 19.602 1.207 1.00 0.00 H new ATOM 743 N ASP A 49 3.405 23.786 4.317 1.00 0.00 N ATOM 744 CA ASP A 49 3.315 25.077 4.984 1.00 0.00 C ATOM 745 C ASP A 49 2.492 26.051 4.146 1.00 0.00 C ATOM 746 O ASP A 49 2.645 26.118 2.928 1.00 0.00 O ATOM 747 CB ASP A 49 4.692 25.603 5.382 1.00 0.00 C ATOM 748 CG ASP A 49 4.868 25.751 6.881 1.00 0.00 C ATOM 749 OD1 ASP A 49 4.399 24.833 7.587 1.00 0.00 O ATOM 750 OD2 ASP A 49 5.440 26.742 7.357 1.00 0.00 O ATOM 0 H ASP A 49 3.000 23.769 3.381 1.00 0.00 H new ATOM 0 HA ASP A 49 2.780 24.956 5.926 1.00 0.00 H new ATOM 0 HB2 ASP A 49 5.456 24.927 4.999 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.855 26.570 4.907 1.00 0.00 H new ATOM 755 N ALA A 50 1.736 26.898 4.836 1.00 0.00 N ATOM 756 CA ALA A 50 1.069 28.028 4.205 1.00 0.00 C ATOM 757 C ALA A 50 0.087 27.538 3.144 1.00 0.00 C ATOM 758 O ALA A 50 -0.345 28.334 2.297 1.00 0.00 O ATOM 759 CB ALA A 50 2.099 28.978 3.600 1.00 0.00 C ATOM 760 OXT ALA A 50 -0.098 26.320 3.001 1.00 0.00 O ATOM 0 H ALA A 50 1.570 26.821 5.839 1.00 0.00 H new ATOM 0 HA ALA A 50 0.506 28.574 4.962 1.00 0.00 H new ATOM 0 HB1 ALA A 50 1.587 29.819 3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 50 2.759 29.347 4.385 1.00 0.00 H new ATOM 0 HB3 ALA A 50 2.687 28.448 2.851 1.00 0.00 H new TER 766 ALA A 50 HETATM 767 ZN ZN A 51 9.376 -7.203 -4.936 1.00 0.00 ZN