USER MOD reduce.3.24.130724 H: found=0, std=0, add=504, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 494 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 ALA N :NH3+ 176:sc= -0.823 (180deg=-0.895) USER MOD Single : A 2 ASN : amide:sc= -5.93! C(o=-5.9!,f=-13!) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 GLN : amide:sc= -1.38 K(o=-1.4,f=-2.6!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -175:sc= -6.38! (180deg=-6.63!) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -3.09! K(o=-3.1!,f=-1.4) USER MOD Single : B 1 ALA N :NH3+ -166:sc= -8.94! (180deg=-10.8!) USER MOD Single : B 2 ASN : amide:sc= -0.0371 K(o=-0.037,f=-1.3) USER MOD Single : B 7 TYR OH : rot 180:sc= -0.201 USER MOD Single : B 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GLN : amide:sc= -8.64! C(o=-8.6!,f=-19!) USER MOD Single : B 17 LYS NZ :NH3+ -156:sc= -2.52! (180deg=-3.63!) USER MOD Single : B 25 THR OG1 : rot 180:sc= 0 USER MOD Single : B 33 MET CE :methyl -174:sc= -5.53! (180deg=-5.79!) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 36 GLN : amide:sc= -2.08! K(o=-2.1!,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -0.504 2.312 -2.005 1.00 5.13 N ATOM 2 CA ALA A 1 0.498 1.261 -2.009 1.00 25.41 C ATOM 3 C ALA A 1 1.892 1.890 -1.940 1.00 23.51 C ATOM 4 O ALA A 1 2.742 1.618 -2.787 1.00 61.41 O ATOM 5 CB ALA A 1 0.315 0.384 -3.250 1.00 22.01 C ATOM 0 H1 ALA A 1 -1.448 1.892 -2.120 1.00 5.13 H new ATOM 0 H2 ALA A 1 -0.462 2.828 -1.103 1.00 5.13 H new ATOM 0 H3 ALA A 1 -0.320 2.970 -2.789 1.00 5.13 H new ATOM 0 HA ALA A 1 0.382 0.618 -1.136 1.00 25.41 H new ATOM 0 HB1 ALA A 1 1.067 -0.405 -3.252 1.00 22.01 H new ATOM 0 HB2 ALA A 1 -0.679 -0.063 -3.236 1.00 22.01 H new ATOM 0 HB3 ALA A 1 0.426 0.994 -4.146 1.00 22.01 H new ATOM 11 N ASN A 2 2.083 2.718 -0.924 1.00 32.24 N ATOM 12 CA ASN A 2 3.359 3.387 -0.734 1.00 35.43 C ATOM 13 C ASN A 2 3.871 3.892 -2.084 1.00 73.13 C ATOM 14 O ASN A 2 4.561 3.169 -2.800 1.00 5.01 O ATOM 15 CB ASN A 2 4.404 2.428 -0.159 1.00 54.42 C ATOM 16 CG ASN A 2 3.938 0.976 -0.276 1.00 14.01 C ATOM 17 OD1 ASN A 2 4.190 0.291 -1.254 1.00 53.43 O ATOM 18 ND2 ASN A 2 3.246 0.544 0.774 1.00 75.32 N ATOM 0 H ASN A 2 1.376 2.941 -0.224 1.00 32.24 H new ATOM 0 HA ASN A 2 3.207 4.212 -0.039 1.00 35.43 H new ATOM 0 HB2 ASN A 2 5.349 2.554 -0.688 1.00 54.42 H new ATOM 0 HB3 ASN A 2 4.589 2.671 0.887 1.00 54.42 H new ATOM 0 HD21 ASN A 2 2.891 -0.412 0.793 1.00 75.32 H new ATOM 0 HD22 ASN A 2 3.070 1.169 1.561 1.00 75.32 H new ATOM 25 N GLU A 3 3.512 5.130 -2.391 1.00 44.02 N ATOM 26 CA GLU A 3 3.927 5.740 -3.643 1.00 21.12 C ATOM 27 C GLU A 3 5.395 5.419 -3.928 1.00 64.45 C ATOM 28 O GLU A 3 6.207 5.336 -3.008 1.00 65.20 O ATOM 29 CB GLU A 3 3.691 7.252 -3.620 1.00 62.42 C ATOM 30 CG GLU A 3 4.001 7.875 -4.983 1.00 75.34 C ATOM 31 CD GLU A 3 4.297 9.370 -4.848 1.00 2.12 C ATOM 32 OE1 GLU A 3 5.288 9.751 -4.207 1.00 22.54 O ATOM 33 OE2 GLU A 3 3.455 10.148 -5.438 1.00 41.11 O ATOM 0 H GLU A 3 2.939 5.727 -1.795 1.00 44.02 H new ATOM 0 HA GLU A 3 3.321 5.323 -4.447 1.00 21.12 H new ATOM 0 HB2 GLU A 3 2.656 7.458 -3.349 1.00 62.42 H new ATOM 0 HB3 GLU A 3 4.318 7.710 -2.855 1.00 62.42 H new ATOM 0 HG2 GLU A 3 4.857 7.370 -5.431 1.00 75.34 H new ATOM 0 HG3 GLU A 3 3.156 7.727 -5.655 1.00 75.34 H new ATOM 40 N GLY A 4 5.692 5.247 -5.209 1.00 2.31 N ATOM 41 CA GLY A 4 7.048 4.936 -5.628 1.00 4.33 C ATOM 42 C GLY A 4 7.296 3.427 -5.609 1.00 22.41 C ATOM 43 O GLY A 4 8.431 2.978 -5.765 1.00 13.12 O ATOM 0 H GLY A 4 5.016 5.317 -5.970 1.00 2.31 H new ATOM 0 HA2 GLY A 4 7.220 5.324 -6.632 1.00 4.33 H new ATOM 0 HA3 GLY A 4 7.759 5.433 -4.968 1.00 4.33 H new ATOM 47 N ASP A 5 6.215 2.684 -5.417 1.00 50.44 N ATOM 48 CA ASP A 5 6.301 1.234 -5.376 1.00 0.10 C ATOM 49 C ASP A 5 5.750 0.658 -6.683 1.00 24.13 C ATOM 50 O ASP A 5 4.917 1.281 -7.337 1.00 53.13 O ATOM 51 CB ASP A 5 5.472 0.666 -4.223 1.00 2.01 C ATOM 52 CG ASP A 5 6.246 0.432 -2.924 1.00 1.12 C ATOM 53 OD1 ASP A 5 6.999 1.413 -2.555 1.00 65.30 O ATOM 54 OD2 ASP A 5 6.135 -0.631 -2.296 1.00 61.24 O ATOM 0 H ASP A 5 5.275 3.059 -5.288 1.00 50.44 H new ATOM 0 HA ASP A 5 7.347 0.962 -5.237 1.00 0.10 H new ATOM 0 HB2 ASP A 5 4.646 1.348 -4.019 1.00 2.01 H new ATOM 0 HB3 ASP A 5 5.033 -0.279 -4.542 1.00 2.01 H new ATOM 59 N VAL A 6 6.240 -0.526 -7.022 1.00 14.20 N ATOM 60 CA VAL A 6 5.807 -1.193 -8.238 1.00 42.30 C ATOM 61 C VAL A 6 5.057 -2.476 -7.873 1.00 4.55 C ATOM 62 O VAL A 6 5.453 -3.188 -6.950 1.00 61.34 O ATOM 63 CB VAL A 6 7.007 -1.442 -9.154 1.00 63.30 C ATOM 64 CG1 VAL A 6 6.648 -2.419 -10.275 1.00 64.31 C ATOM 65 CG2 VAL A 6 7.545 -0.128 -9.722 1.00 1.13 C ATOM 0 H VAL A 6 6.932 -1.040 -6.476 1.00 14.20 H new ATOM 0 HA VAL A 6 5.116 -0.560 -8.795 1.00 42.30 H new ATOM 0 HB VAL A 6 7.797 -1.896 -8.555 1.00 63.30 H new ATOM 0 HG11 VAL A 6 7.518 -2.578 -10.911 1.00 64.31 H new ATOM 0 HG12 VAL A 6 6.335 -3.370 -9.843 1.00 64.31 H new ATOM 0 HG13 VAL A 6 5.834 -2.006 -10.871 1.00 64.31 H new ATOM 0 HG21 VAL A 6 8.397 -0.333 -10.369 1.00 1.13 H new ATOM 0 HG22 VAL A 6 6.763 0.367 -10.298 1.00 1.13 H new ATOM 0 HG23 VAL A 6 7.859 0.521 -8.904 1.00 1.13 H new ATOM 75 N TYR A 7 3.988 -2.731 -8.613 1.00 4.43 N ATOM 76 CA TYR A 7 3.181 -3.914 -8.378 1.00 31.55 C ATOM 77 C TYR A 7 2.995 -4.717 -9.667 1.00 50.14 C ATOM 78 O TYR A 7 2.663 -4.154 -10.710 1.00 3.11 O ATOM 79 CB TYR A 7 1.817 -3.408 -7.905 1.00 3.01 C ATOM 80 CG TYR A 7 1.688 -3.294 -6.385 1.00 4.35 C ATOM 81 CD1 TYR A 7 2.545 -2.472 -5.679 1.00 60.54 C ATOM 82 CD2 TYR A 7 0.715 -4.011 -5.718 1.00 62.11 C ATOM 83 CE1 TYR A 7 2.423 -2.365 -4.248 1.00 43.34 C ATOM 84 CE2 TYR A 7 0.594 -3.903 -4.288 1.00 0.33 C ATOM 85 CZ TYR A 7 1.454 -3.086 -3.624 1.00 2.11 C ATOM 86 OH TYR A 7 1.340 -2.984 -2.272 1.00 2.23 O ATOM 0 H TYR A 7 3.663 -2.137 -9.376 1.00 4.43 H new ATOM 0 HA TYR A 7 3.661 -4.566 -7.648 1.00 31.55 H new ATOM 0 HB2 TYR A 7 1.630 -2.431 -8.349 1.00 3.01 H new ATOM 0 HB3 TYR A 7 1.043 -4.080 -8.276 1.00 3.01 H new ATOM 0 HD1 TYR A 7 3.306 -1.910 -6.200 1.00 60.54 H new ATOM 0 HD2 TYR A 7 0.044 -4.653 -6.270 1.00 62.11 H new ATOM 0 HE1 TYR A 7 3.086 -1.726 -3.683 1.00 43.34 H new ATOM 0 HE2 TYR A 7 -0.163 -4.459 -3.754 1.00 0.33 H new ATOM 0 HH TYR A 7 0.605 -3.553 -1.962 1.00 2.23 H new ATOM 96 N LYS A 8 3.215 -6.018 -9.554 1.00 73.44 N ATOM 97 CA LYS A 8 3.075 -6.902 -10.699 1.00 61.40 C ATOM 98 C LYS A 8 1.822 -7.763 -10.522 1.00 64.13 C ATOM 99 O LYS A 8 1.323 -7.919 -9.410 1.00 4.23 O ATOM 100 CB LYS A 8 4.355 -7.715 -10.907 1.00 61.11 C ATOM 101 CG LYS A 8 4.483 -8.174 -12.361 1.00 11.34 C ATOM 102 CD LYS A 8 5.862 -8.782 -12.625 1.00 42.32 C ATOM 103 CE LYS A 8 5.738 -10.209 -13.165 1.00 15.44 C ATOM 104 NZ LYS A 8 6.746 -10.452 -14.221 1.00 13.44 N ATOM 0 H LYS A 8 3.489 -6.482 -8.688 1.00 73.44 H new ATOM 0 HA LYS A 8 2.939 -6.324 -11.613 1.00 61.40 H new ATOM 0 HB2 LYS A 8 5.221 -7.112 -10.635 1.00 61.11 H new ATOM 0 HB3 LYS A 8 4.350 -8.583 -10.247 1.00 61.11 H new ATOM 0 HG2 LYS A 8 3.709 -8.909 -12.584 1.00 11.34 H new ATOM 0 HG3 LYS A 8 4.321 -7.328 -13.029 1.00 11.34 H new ATOM 0 HD2 LYS A 8 6.405 -8.164 -13.341 1.00 42.32 H new ATOM 0 HD3 LYS A 8 6.444 -8.787 -11.703 1.00 42.32 H new ATOM 0 HE2 LYS A 8 5.873 -10.924 -12.354 1.00 15.44 H new ATOM 0 HE3 LYS A 8 4.737 -10.367 -13.566 1.00 15.44 H new ATOM 0 HZ1 LYS A 8 6.649 -11.424 -14.577 1.00 13.44 H new ATOM 0 HZ2 LYS A 8 6.599 -9.781 -15.002 1.00 13.44 H new ATOM 0 HZ3 LYS A 8 7.700 -10.321 -13.827 1.00 13.44 H new ATOM 117 N CYS A 9 1.351 -8.300 -11.639 1.00 54.02 N ATOM 118 CA CYS A 9 0.165 -9.140 -11.622 1.00 22.32 C ATOM 119 C CYS A 9 0.582 -10.549 -11.195 1.00 32.32 C ATOM 120 O CYS A 9 -0.235 -11.314 -10.684 1.00 41.21 O ATOM 121 CB CYS A 9 -0.546 -9.142 -12.976 1.00 72.25 C ATOM 122 SG CYS A 9 -2.035 -10.206 -13.061 1.00 3.02 S ATOM 0 H CYS A 9 1.769 -8.170 -12.560 1.00 54.02 H new ATOM 0 HA CYS A 9 -0.556 -8.742 -10.908 1.00 22.32 H new ATOM 0 HB2 CYS A 9 -0.833 -8.119 -13.221 1.00 72.25 H new ATOM 0 HB3 CYS A 9 0.160 -9.467 -13.741 1.00 72.25 H new ATOM 127 N GLU A 10 1.853 -10.849 -11.418 1.00 71.33 N ATOM 128 CA GLU A 10 2.388 -12.153 -11.063 1.00 22.21 C ATOM 129 C GLU A 10 1.674 -13.253 -11.851 1.00 63.04 C ATOM 130 O GLU A 10 1.823 -14.436 -11.548 1.00 50.44 O ATOM 131 CB GLU A 10 2.277 -12.399 -9.556 1.00 50.21 C ATOM 132 CG GLU A 10 3.303 -11.563 -8.788 1.00 21.51 C ATOM 133 CD GLU A 10 4.716 -12.117 -8.981 1.00 21.52 C ATOM 134 OE1 GLU A 10 4.935 -13.327 -8.817 1.00 44.34 O ATOM 135 OE2 GLU A 10 5.604 -11.243 -9.311 1.00 43.25 O ATOM 0 H GLU A 10 2.528 -10.212 -11.840 1.00 71.33 H new ATOM 0 HA GLU A 10 3.446 -12.173 -11.325 1.00 22.21 H new ATOM 0 HB2 GLU A 10 1.272 -12.150 -9.216 1.00 50.21 H new ATOM 0 HB3 GLU A 10 2.432 -13.457 -9.344 1.00 50.21 H new ATOM 0 HG2 GLU A 10 3.264 -10.529 -9.130 1.00 21.51 H new ATOM 0 HG3 GLU A 10 3.052 -11.558 -7.727 1.00 21.51 H new ATOM 142 N LEU A 11 0.914 -12.823 -12.849 1.00 24.22 N ATOM 143 CA LEU A 11 0.177 -13.757 -13.683 1.00 62.00 C ATOM 144 C LEU A 11 0.434 -13.431 -15.156 1.00 10.43 C ATOM 145 O LEU A 11 1.316 -14.017 -15.781 1.00 41.51 O ATOM 146 CB LEU A 11 -1.304 -13.761 -13.303 1.00 54.14 C ATOM 147 CG LEU A 11 -1.673 -14.555 -12.049 1.00 33.15 C ATOM 148 CD1 LEU A 11 -3.191 -14.705 -11.921 1.00 3.43 C ATOM 149 CD2 LEU A 11 -0.960 -15.908 -12.027 1.00 14.05 C ATOM 0 H LEU A 11 0.793 -11.841 -13.098 1.00 24.22 H new ATOM 0 HA LEU A 11 0.527 -14.776 -13.516 1.00 62.00 H new ATOM 0 HB2 LEU A 11 -1.625 -12.729 -13.163 1.00 54.14 H new ATOM 0 HB3 LEU A 11 -1.873 -14.161 -14.142 1.00 54.14 H new ATOM 0 HG LEU A 11 -1.330 -13.996 -11.178 1.00 33.15 H new ATOM 0 HD11 LEU A 11 -3.426 -15.273 -11.021 1.00 3.43 H new ATOM 0 HD12 LEU A 11 -3.650 -13.718 -11.857 1.00 3.43 H new ATOM 0 HD13 LEU A 11 -3.580 -15.230 -12.794 1.00 3.43 H new ATOM 0 HD21 LEU A 11 -1.240 -16.452 -11.125 1.00 14.05 H new ATOM 0 HD22 LEU A 11 -1.250 -16.486 -12.904 1.00 14.05 H new ATOM 0 HD23 LEU A 11 0.119 -15.751 -12.036 1.00 14.05 H new ATOM 161 N CYS A 12 -0.354 -12.495 -15.667 1.00 64.10 N ATOM 162 CA CYS A 12 -0.222 -12.084 -17.054 1.00 52.52 C ATOM 163 C CYS A 12 1.211 -11.596 -17.277 1.00 40.31 C ATOM 164 O CYS A 12 1.792 -11.829 -18.337 1.00 21.31 O ATOM 165 CB CYS A 12 -1.252 -11.015 -17.428 1.00 34.43 C ATOM 166 SG CYS A 12 -1.188 -9.497 -16.408 1.00 5.30 S ATOM 0 H CYS A 12 -1.085 -12.011 -15.146 1.00 64.10 H new ATOM 0 HA CYS A 12 -0.422 -12.933 -17.707 1.00 52.52 H new ATOM 0 HB2 CYS A 12 -1.107 -10.740 -18.473 1.00 34.43 H new ATOM 0 HB3 CYS A 12 -2.249 -11.448 -17.348 1.00 34.43 H new ATOM 171 N GLY A 13 1.740 -10.928 -16.263 1.00 21.44 N ATOM 172 CA GLY A 13 3.094 -10.407 -16.335 1.00 3.35 C ATOM 173 C GLY A 13 3.087 -8.890 -16.540 1.00 32.02 C ATOM 174 O GLY A 13 3.968 -8.346 -17.203 1.00 65.13 O ATOM 0 H GLY A 13 1.255 -10.735 -15.387 1.00 21.44 H new ATOM 0 HA2 GLY A 13 3.631 -10.651 -15.418 1.00 3.35 H new ATOM 0 HA3 GLY A 13 3.629 -10.886 -17.155 1.00 3.35 H new ATOM 178 N GLN A 14 2.082 -8.252 -15.958 1.00 45.43 N ATOM 179 CA GLN A 14 1.949 -6.809 -16.069 1.00 21.13 C ATOM 180 C GLN A 14 2.575 -6.123 -14.853 1.00 23.21 C ATOM 181 O GLN A 14 2.375 -6.557 -13.720 1.00 4.12 O ATOM 182 CB GLN A 14 0.482 -6.404 -16.231 1.00 61.33 C ATOM 183 CG GLN A 14 0.316 -4.888 -16.118 1.00 71.12 C ATOM 184 CD GLN A 14 -0.648 -4.361 -17.185 1.00 22.24 C ATOM 185 OE1 GLN A 14 -0.264 -3.685 -18.125 1.00 21.41 O ATOM 186 NE2 GLN A 14 -1.917 -4.707 -16.985 1.00 62.24 N ATOM 0 H GLN A 14 1.353 -8.707 -15.409 1.00 45.43 H new ATOM 0 HA GLN A 14 2.483 -6.483 -16.961 1.00 21.13 H new ATOM 0 HB2 GLN A 14 0.112 -6.743 -17.199 1.00 61.33 H new ATOM 0 HB3 GLN A 14 -0.121 -6.897 -15.469 1.00 61.33 H new ATOM 0 HG2 GLN A 14 -0.058 -4.632 -15.127 1.00 71.12 H new ATOM 0 HG3 GLN A 14 1.286 -4.403 -16.228 1.00 71.12 H new ATOM 0 HE21 GLN A 14 -2.169 -5.275 -16.176 1.00 62.24 H new ATOM 0 HE22 GLN A 14 -2.638 -4.404 -17.640 1.00 62.24 H new ATOM 195 N VAL A 15 3.322 -5.064 -15.130 1.00 74.23 N ATOM 196 CA VAL A 15 3.979 -4.314 -14.073 1.00 71.11 C ATOM 197 C VAL A 15 3.509 -2.859 -14.119 1.00 23.21 C ATOM 198 O VAL A 15 3.467 -2.249 -15.186 1.00 42.14 O ATOM 199 CB VAL A 15 5.497 -4.457 -14.197 1.00 42.35 C ATOM 200 CG1 VAL A 15 6.214 -3.630 -13.128 1.00 63.31 C ATOM 201 CG2 VAL A 15 5.918 -5.925 -14.129 1.00 73.11 C ATOM 0 H VAL A 15 3.487 -4.708 -16.071 1.00 74.23 H new ATOM 0 HA VAL A 15 3.707 -4.712 -13.095 1.00 71.11 H new ATOM 0 HB VAL A 15 5.791 -4.071 -15.173 1.00 42.35 H new ATOM 0 HG11 VAL A 15 7.292 -3.749 -13.238 1.00 63.31 H new ATOM 0 HG12 VAL A 15 5.951 -2.579 -13.244 1.00 63.31 H new ATOM 0 HG13 VAL A 15 5.910 -3.972 -12.139 1.00 63.31 H new ATOM 0 HG21 VAL A 15 7.002 -5.997 -14.220 1.00 73.11 H new ATOM 0 HG22 VAL A 15 5.605 -6.350 -13.175 1.00 73.11 H new ATOM 0 HG23 VAL A 15 5.448 -6.476 -14.944 1.00 73.11 H new ATOM 211 N VAL A 16 3.167 -2.344 -12.947 1.00 10.33 N ATOM 212 CA VAL A 16 2.701 -0.972 -12.839 1.00 52.33 C ATOM 213 C VAL A 16 3.340 -0.316 -11.613 1.00 41.24 C ATOM 214 O VAL A 16 3.854 -1.005 -10.733 1.00 73.03 O ATOM 215 CB VAL A 16 1.172 -0.939 -12.806 1.00 71.22 C ATOM 216 CG1 VAL A 16 0.587 -1.271 -14.179 1.00 73.14 C ATOM 217 CG2 VAL A 16 0.627 -1.885 -11.734 1.00 0.30 C ATOM 0 H VAL A 16 3.203 -2.853 -12.064 1.00 10.33 H new ATOM 0 HA VAL A 16 3.006 -0.396 -13.712 1.00 52.33 H new ATOM 0 HB VAL A 16 0.864 0.074 -12.547 1.00 71.22 H new ATOM 0 HG11 VAL A 16 -0.501 -1.241 -14.128 1.00 73.14 H new ATOM 0 HG12 VAL A 16 0.936 -0.541 -14.909 1.00 73.14 H new ATOM 0 HG13 VAL A 16 0.908 -2.268 -14.480 1.00 73.14 H new ATOM 0 HG21 VAL A 16 -0.462 -1.843 -11.731 1.00 0.30 H new ATOM 0 HG22 VAL A 16 0.950 -2.904 -11.949 1.00 0.30 H new ATOM 0 HG23 VAL A 16 1.004 -1.584 -10.757 1.00 0.30 H new ATOM 227 N LYS A 17 3.287 1.008 -11.595 1.00 24.50 N ATOM 228 CA LYS A 17 3.854 1.765 -10.492 1.00 20.44 C ATOM 229 C LYS A 17 2.724 2.416 -9.692 1.00 60.32 C ATOM 230 O LYS A 17 1.575 2.429 -10.131 1.00 21.31 O ATOM 231 CB LYS A 17 4.897 2.758 -11.004 1.00 43.34 C ATOM 232 CG LYS A 17 6.072 2.872 -10.031 1.00 3.33 C ATOM 233 CD LYS A 17 6.630 4.296 -10.008 1.00 24.13 C ATOM 234 CE LYS A 17 8.023 4.349 -10.639 1.00 4.11 C ATOM 235 NZ LYS A 17 7.931 4.711 -12.070 1.00 61.43 N ATOM 0 H LYS A 17 2.860 1.576 -12.327 1.00 24.50 H new ATOM 0 HA LYS A 17 4.387 1.103 -9.810 1.00 20.44 H new ATOM 0 HB2 LYS A 17 5.259 2.438 -11.981 1.00 43.34 H new ATOM 0 HB3 LYS A 17 4.436 3.737 -11.139 1.00 43.34 H new ATOM 0 HG2 LYS A 17 5.748 2.589 -9.030 1.00 3.33 H new ATOM 0 HG3 LYS A 17 6.858 2.175 -10.321 1.00 3.33 H new ATOM 0 HD2 LYS A 17 5.957 4.963 -10.547 1.00 24.13 H new ATOM 0 HD3 LYS A 17 6.679 4.655 -8.980 1.00 24.13 H new ATOM 0 HE2 LYS A 17 8.639 5.078 -10.113 1.00 4.11 H new ATOM 0 HE3 LYS A 17 8.513 3.381 -10.534 1.00 4.11 H new ATOM 0 HZ1 LYS A 17 8.885 4.742 -12.482 1.00 61.43 H new ATOM 0 HZ2 LYS A 17 7.360 4.001 -12.572 1.00 61.43 H new ATOM 0 HZ3 LYS A 17 7.483 5.645 -12.164 1.00 61.43 H new ATOM 248 N VAL A 18 3.090 2.942 -8.533 1.00 3.21 N ATOM 249 CA VAL A 18 2.122 3.595 -7.668 1.00 34.55 C ATOM 250 C VAL A 18 2.377 5.102 -7.669 1.00 71.11 C ATOM 251 O VAL A 18 3.172 5.602 -6.875 1.00 2.11 O ATOM 252 CB VAL A 18 2.175 2.981 -6.266 1.00 71.43 C ATOM 253 CG1 VAL A 18 1.265 3.741 -5.300 1.00 54.13 C ATOM 254 CG2 VAL A 18 1.814 1.494 -6.305 1.00 65.11 C ATOM 0 H VAL A 18 4.044 2.929 -8.172 1.00 3.21 H new ATOM 0 HA VAL A 18 1.110 3.437 -8.041 1.00 34.55 H new ATOM 0 HB VAL A 18 3.198 3.068 -5.900 1.00 71.43 H new ATOM 0 HG11 VAL A 18 1.321 3.285 -4.312 1.00 54.13 H new ATOM 0 HG12 VAL A 18 1.587 4.781 -5.238 1.00 54.13 H new ATOM 0 HG13 VAL A 18 0.237 3.700 -5.660 1.00 54.13 H new ATOM 0 HG21 VAL A 18 1.859 1.082 -5.297 1.00 65.11 H new ATOM 0 HG22 VAL A 18 0.805 1.375 -6.701 1.00 65.11 H new ATOM 0 HG23 VAL A 18 2.520 0.965 -6.945 1.00 65.11 H new ATOM 264 N LEU A 19 1.687 5.786 -8.571 1.00 52.34 N ATOM 265 CA LEU A 19 1.828 7.227 -8.687 1.00 4.53 C ATOM 266 C LEU A 19 1.189 7.898 -7.469 1.00 24.22 C ATOM 267 O LEU A 19 1.739 8.851 -6.921 1.00 43.54 O ATOM 268 CB LEU A 19 1.267 7.715 -10.024 1.00 12.23 C ATOM 269 CG LEU A 19 2.180 8.631 -10.841 1.00 41.42 C ATOM 270 CD1 LEU A 19 2.445 9.944 -10.101 1.00 22.21 C ATOM 271 CD2 LEU A 19 3.478 7.915 -11.219 1.00 62.14 C ATOM 0 H LEU A 19 1.029 5.368 -9.228 1.00 52.34 H new ATOM 0 HA LEU A 19 2.881 7.507 -8.689 1.00 4.53 H new ATOM 0 HB2 LEU A 19 1.022 6.844 -10.632 1.00 12.23 H new ATOM 0 HB3 LEU A 19 0.333 8.243 -9.832 1.00 12.23 H new ATOM 0 HG LEU A 19 1.668 8.883 -11.770 1.00 41.42 H new ATOM 0 HD11 LEU A 19 3.097 10.576 -10.704 1.00 22.21 H new ATOM 0 HD12 LEU A 19 1.501 10.459 -9.925 1.00 22.21 H new ATOM 0 HD13 LEU A 19 2.927 9.733 -9.146 1.00 22.21 H new ATOM 0 HD21 LEU A 19 4.109 8.588 -11.799 1.00 62.14 H new ATOM 0 HD22 LEU A 19 4.005 7.614 -10.313 1.00 62.14 H new ATOM 0 HD23 LEU A 19 3.246 7.032 -11.814 1.00 62.14 H new ATOM 283 N GLU A 20 0.037 7.373 -7.082 1.00 75.42 N ATOM 284 CA GLU A 20 -0.685 7.909 -5.940 1.00 24.31 C ATOM 285 C GLU A 20 -1.399 6.784 -5.188 1.00 31.03 C ATOM 286 O GLU A 20 -2.230 6.079 -5.761 1.00 5.24 O ATOM 287 CB GLU A 20 -1.673 8.992 -6.373 1.00 42.25 C ATOM 288 CG GLU A 20 -1.016 10.374 -6.351 1.00 61.44 C ATOM 289 CD GLU A 20 -1.539 11.248 -7.494 1.00 3.34 C ATOM 290 OE1 GLU A 20 -2.758 11.437 -7.621 1.00 2.44 O ATOM 291 OE2 GLU A 20 -0.629 11.741 -8.263 1.00 64.24 O ATOM 0 H GLU A 20 -0.415 6.581 -7.539 1.00 75.42 H new ATOM 0 HA GLU A 20 0.035 8.371 -5.265 1.00 24.31 H new ATOM 0 HB2 GLU A 20 -2.039 8.775 -7.377 1.00 42.25 H new ATOM 0 HB3 GLU A 20 -2.538 8.986 -5.710 1.00 42.25 H new ATOM 0 HG2 GLU A 20 -1.215 10.860 -5.396 1.00 61.44 H new ATOM 0 HG3 GLU A 20 0.066 10.268 -6.435 1.00 61.44 H new ATOM 298 N GLU A 21 -1.051 6.651 -3.916 1.00 64.34 N ATOM 299 CA GLU A 21 -1.649 5.623 -3.081 1.00 50.10 C ATOM 300 C GLU A 21 -3.170 5.621 -3.249 1.00 45.02 C ATOM 301 O GLU A 21 -3.755 6.628 -3.644 1.00 20.31 O ATOM 302 CB GLU A 21 -1.259 5.816 -1.613 1.00 75.43 C ATOM 303 CG GLU A 21 0.226 5.522 -1.398 1.00 20.34 C ATOM 304 CD GLU A 21 0.572 5.513 0.093 1.00 14.31 C ATOM 305 OE1 GLU A 21 0.742 6.584 0.697 1.00 71.14 O ATOM 306 OE2 GLU A 21 0.662 4.342 0.626 1.00 51.33 O ATOM 0 H GLU A 21 -0.363 7.238 -3.444 1.00 64.34 H new ATOM 0 HA GLU A 21 -1.267 4.653 -3.401 1.00 50.10 H new ATOM 0 HB2 GLU A 21 -1.479 6.838 -1.306 1.00 75.43 H new ATOM 0 HB3 GLU A 21 -1.859 5.158 -0.984 1.00 75.43 H new ATOM 0 HG2 GLU A 21 0.477 4.558 -1.839 1.00 20.34 H new ATOM 0 HG3 GLU A 21 0.827 6.273 -1.910 1.00 20.34 H new ATOM 313 N GLY A 22 -3.765 4.478 -2.941 1.00 13.42 N ATOM 314 CA GLY A 22 -5.206 4.332 -3.053 1.00 73.42 C ATOM 315 C GLY A 22 -5.789 3.670 -1.802 1.00 71.11 C ATOM 316 O GLY A 22 -5.079 3.454 -0.821 1.00 50.12 O ATOM 0 H GLY A 22 -3.276 3.645 -2.614 1.00 13.42 H new ATOM 0 HA2 GLY A 22 -5.664 5.310 -3.198 1.00 73.42 H new ATOM 0 HA3 GLY A 22 -5.447 3.734 -3.932 1.00 73.42 H new ATOM 320 N GLY A 23 -7.077 3.368 -1.878 1.00 23.42 N ATOM 321 CA GLY A 23 -7.763 2.735 -0.764 1.00 32.32 C ATOM 322 C GLY A 23 -7.994 1.247 -1.036 1.00 32.52 C ATOM 323 O GLY A 23 -7.893 0.423 -0.127 1.00 53.32 O ATOM 0 H GLY A 23 -7.663 3.550 -2.693 1.00 23.42 H new ATOM 0 HA2 GLY A 23 -7.174 2.855 0.146 1.00 32.32 H new ATOM 0 HA3 GLY A 23 -8.719 3.230 -0.593 1.00 32.32 H new ATOM 327 N GLY A 24 -8.299 0.948 -2.290 1.00 33.12 N ATOM 328 CA GLY A 24 -8.545 -0.427 -2.692 1.00 44.44 C ATOM 329 C GLY A 24 -7.237 -1.136 -3.048 1.00 52.34 C ATOM 330 O GLY A 24 -6.153 -0.609 -2.801 1.00 52.03 O ATOM 0 H GLY A 24 -8.381 1.634 -3.041 1.00 33.12 H new ATOM 0 HA2 GLY A 24 -9.045 -0.962 -1.884 1.00 44.44 H new ATOM 0 HA3 GLY A 24 -9.217 -0.444 -3.550 1.00 44.44 H new ATOM 334 N THR A 25 -7.381 -2.320 -3.625 1.00 31.53 N ATOM 335 CA THR A 25 -6.224 -3.107 -4.017 1.00 33.03 C ATOM 336 C THR A 25 -6.207 -3.309 -5.533 1.00 52.03 C ATOM 337 O THR A 25 -7.256 -3.483 -6.152 1.00 42.41 O ATOM 338 CB THR A 25 -6.256 -4.419 -3.230 1.00 13.14 C ATOM 339 OG1 THR A 25 -5.462 -4.151 -2.076 1.00 70.05 O ATOM 340 CG2 THR A 25 -5.508 -5.548 -3.943 1.00 5.44 C ATOM 0 H THR A 25 -8.281 -2.753 -3.830 1.00 31.53 H new ATOM 0 HA THR A 25 -5.294 -2.590 -3.778 1.00 33.03 H new ATOM 0 HB THR A 25 -7.291 -4.718 -3.064 1.00 13.14 H new ATOM 0 HG1 THR A 25 -5.430 -4.949 -1.508 1.00 70.05 H new ATOM 0 HG21 THR A 25 -5.561 -6.456 -3.342 1.00 5.44 H new ATOM 0 HG22 THR A 25 -5.965 -5.729 -4.916 1.00 5.44 H new ATOM 0 HG23 THR A 25 -4.465 -5.264 -4.079 1.00 5.44 H new ATOM 348 N LEU A 26 -5.005 -3.280 -6.089 1.00 24.34 N ATOM 349 CA LEU A 26 -4.836 -3.457 -7.521 1.00 72.31 C ATOM 350 C LEU A 26 -5.180 -4.900 -7.895 1.00 60.32 C ATOM 351 O LEU A 26 -4.590 -5.841 -7.365 1.00 41.31 O ATOM 352 CB LEU A 26 -3.433 -3.028 -7.953 1.00 61.02 C ATOM 353 CG LEU A 26 -3.111 -1.540 -7.803 1.00 55.30 C ATOM 354 CD1 LEU A 26 -1.612 -1.322 -7.586 1.00 12.43 C ATOM 355 CD2 LEU A 26 -3.639 -0.741 -8.996 1.00 35.30 C ATOM 0 H LEU A 26 -4.137 -3.136 -5.572 1.00 24.34 H new ATOM 0 HA LEU A 26 -5.523 -2.812 -8.068 1.00 72.31 H new ATOM 0 HB2 LEU A 26 -2.706 -3.597 -7.373 1.00 61.02 H new ATOM 0 HB3 LEU A 26 -3.295 -3.306 -8.998 1.00 61.02 H new ATOM 0 HG LEU A 26 -3.622 -1.169 -6.915 1.00 55.30 H new ATOM 0 HD11 LEU A 26 -1.411 -0.256 -7.482 1.00 12.43 H new ATOM 0 HD12 LEU A 26 -1.296 -1.841 -6.681 1.00 12.43 H new ATOM 0 HD13 LEU A 26 -1.060 -1.714 -8.440 1.00 12.43 H new ATOM 0 HD21 LEU A 26 -3.397 0.313 -8.864 1.00 35.30 H new ATOM 0 HD22 LEU A 26 -3.177 -1.107 -9.913 1.00 35.30 H new ATOM 0 HD23 LEU A 26 -4.721 -0.859 -9.063 1.00 35.30 H new ATOM 367 N VAL A 27 -6.134 -5.031 -8.805 1.00 11.52 N ATOM 368 CA VAL A 27 -6.564 -6.343 -9.257 1.00 62.34 C ATOM 369 C VAL A 27 -6.225 -6.504 -10.740 1.00 70.20 C ATOM 370 O VAL A 27 -6.208 -5.526 -11.486 1.00 51.43 O ATOM 371 CB VAL A 27 -8.052 -6.538 -8.960 1.00 4.42 C ATOM 372 CG1 VAL A 27 -8.664 -7.587 -9.889 1.00 72.34 C ATOM 373 CG2 VAL A 27 -8.274 -6.909 -7.492 1.00 30.44 C ATOM 0 H VAL A 27 -6.622 -4.249 -9.242 1.00 11.52 H new ATOM 0 HA VAL A 27 -6.033 -7.126 -8.715 1.00 62.34 H new ATOM 0 HB VAL A 27 -8.558 -5.590 -9.146 1.00 4.42 H new ATOM 0 HG11 VAL A 27 -9.722 -7.706 -9.656 1.00 72.34 H new ATOM 0 HG12 VAL A 27 -8.554 -7.265 -10.924 1.00 72.34 H new ATOM 0 HG13 VAL A 27 -8.153 -8.539 -9.749 1.00 72.34 H new ATOM 0 HG21 VAL A 27 -9.340 -7.042 -7.307 1.00 30.44 H new ATOM 0 HG22 VAL A 27 -7.748 -7.837 -7.268 1.00 30.44 H new ATOM 0 HG23 VAL A 27 -7.892 -6.112 -6.854 1.00 30.44 H new ATOM 383 N CYS A 28 -5.962 -7.745 -11.123 1.00 12.42 N ATOM 384 CA CYS A 28 -5.624 -8.046 -12.504 1.00 71.32 C ATOM 385 C CYS A 28 -5.738 -9.558 -12.707 1.00 61.44 C ATOM 386 O CYS A 28 -5.167 -10.336 -11.945 1.00 12.13 O ATOM 387 CB CYS A 28 -4.234 -7.524 -12.873 1.00 60.15 C ATOM 388 SG CYS A 28 -3.854 -7.552 -14.662 1.00 53.32 S ATOM 0 H CYS A 28 -5.976 -8.553 -10.501 1.00 12.42 H new ATOM 0 HA CYS A 28 -6.320 -7.537 -13.171 1.00 71.32 H new ATOM 0 HB2 CYS A 28 -4.138 -6.500 -12.512 1.00 60.15 H new ATOM 0 HB3 CYS A 28 -3.487 -8.119 -12.348 1.00 60.15 H new ATOM 393 N CYS A 29 -6.480 -9.930 -13.741 1.00 2.53 N ATOM 394 CA CYS A 29 -6.676 -11.335 -14.053 1.00 54.05 C ATOM 395 C CYS A 29 -7.369 -12.001 -12.863 1.00 4.32 C ATOM 396 O CYS A 29 -7.003 -13.106 -12.466 1.00 25.22 O ATOM 397 CB CYS A 29 -5.358 -12.026 -14.406 1.00 43.45 C ATOM 398 SG CYS A 29 -4.459 -11.287 -15.820 1.00 44.41 S ATOM 0 H CYS A 29 -6.952 -9.283 -14.372 1.00 2.53 H new ATOM 0 HA CYS A 29 -7.307 -11.428 -14.937 1.00 54.05 H new ATOM 0 HB2 CYS A 29 -4.708 -12.008 -13.531 1.00 43.45 H new ATOM 0 HB3 CYS A 29 -5.561 -13.073 -14.630 1.00 43.45 H new ATOM 403 N GLY A 30 -8.357 -11.300 -12.326 1.00 3.15 N ATOM 404 CA GLY A 30 -9.103 -11.809 -11.188 1.00 22.00 C ATOM 405 C GLY A 30 -8.165 -12.169 -10.034 1.00 10.30 C ATOM 406 O GLY A 30 -8.494 -13.014 -9.202 1.00 41.54 O ATOM 0 H GLY A 30 -8.658 -10.384 -12.658 1.00 3.15 H new ATOM 0 HA2 GLY A 30 -9.823 -11.061 -10.856 1.00 22.00 H new ATOM 0 HA3 GLY A 30 -9.673 -12.689 -11.486 1.00 22.00 H new ATOM 410 N GLU A 31 -7.016 -11.510 -10.019 1.00 0.20 N ATOM 411 CA GLU A 31 -6.028 -11.749 -8.981 1.00 31.04 C ATOM 412 C GLU A 31 -5.600 -10.427 -8.341 1.00 12.23 C ATOM 413 O GLU A 31 -5.665 -9.375 -8.976 1.00 61.35 O ATOM 414 CB GLU A 31 -4.821 -12.506 -9.537 1.00 41.21 C ATOM 415 CG GLU A 31 -4.609 -13.824 -8.791 1.00 44.01 C ATOM 416 CD GLU A 31 -3.474 -13.701 -7.771 1.00 44.12 C ATOM 417 OE1 GLU A 31 -3.503 -12.802 -6.917 1.00 72.33 O ATOM 418 OE2 GLU A 31 -2.539 -14.582 -7.887 1.00 44.42 O ATOM 0 H GLU A 31 -6.747 -10.810 -10.710 1.00 0.20 H new ATOM 0 HA GLU A 31 -6.482 -12.372 -8.211 1.00 31.04 H new ATOM 0 HB2 GLU A 31 -4.969 -12.705 -10.598 1.00 41.21 H new ATOM 0 HB3 GLU A 31 -3.928 -11.887 -9.450 1.00 41.21 H new ATOM 0 HG2 GLU A 31 -5.530 -14.111 -8.283 1.00 44.01 H new ATOM 0 HG3 GLU A 31 -4.378 -14.616 -9.503 1.00 44.01 H new ATOM 425 N ASP A 32 -5.172 -10.523 -7.090 1.00 73.22 N ATOM 426 CA ASP A 32 -4.734 -9.348 -6.358 1.00 3.34 C ATOM 427 C ASP A 32 -3.262 -9.074 -6.674 1.00 64.15 C ATOM 428 O ASP A 32 -2.373 -9.713 -6.114 1.00 73.10 O ATOM 429 CB ASP A 32 -4.859 -9.561 -4.847 1.00 71.42 C ATOM 430 CG ASP A 32 -6.128 -10.291 -4.402 1.00 64.52 C ATOM 431 OD1 ASP A 32 -7.235 -9.992 -4.872 1.00 33.35 O ATOM 432 OD2 ASP A 32 -5.944 -11.216 -3.521 1.00 13.12 O ATOM 0 H ASP A 32 -5.120 -11.396 -6.566 1.00 73.22 H new ATOM 0 HA ASP A 32 -5.364 -8.511 -6.659 1.00 3.34 H new ATOM 0 HB2 ASP A 32 -3.993 -10.125 -4.501 1.00 71.42 H new ATOM 0 HB3 ASP A 32 -4.824 -8.590 -4.354 1.00 71.42 H new ATOM 437 N MET A 33 -3.050 -8.123 -7.573 1.00 2.31 N ATOM 438 CA MET A 33 -1.702 -7.758 -7.972 1.00 0.44 C ATOM 439 C MET A 33 -0.752 -7.775 -6.772 1.00 44.20 C ATOM 440 O MET A 33 -1.060 -7.211 -5.724 1.00 24.02 O ATOM 441 CB MET A 33 -1.715 -6.358 -8.592 1.00 30.41 C ATOM 442 CG MET A 33 -1.735 -6.436 -10.120 1.00 71.34 C ATOM 443 SD MET A 33 -2.498 -4.972 -10.797 1.00 3.33 S ATOM 444 CE MET A 33 -1.255 -3.758 -10.385 1.00 41.43 C ATOM 0 H MET A 33 -3.790 -7.595 -8.036 1.00 2.31 H new ATOM 0 HA MET A 33 -1.349 -8.486 -8.702 1.00 0.44 H new ATOM 0 HB2 MET A 33 -2.589 -5.809 -8.241 1.00 30.41 H new ATOM 0 HB3 MET A 33 -0.836 -5.803 -8.264 1.00 30.41 H new ATOM 0 HG2 MET A 33 -0.718 -6.535 -10.500 1.00 71.34 H new ATOM 0 HG3 MET A 33 -2.283 -7.322 -10.440 1.00 71.34 H new ATOM 0 HE1 MET A 33 -1.612 -2.765 -10.658 1.00 41.43 H new ATOM 0 HE2 MET A 33 -1.056 -3.790 -9.314 1.00 41.43 H new ATOM 0 HE3 MET A 33 -0.337 -3.977 -10.931 1.00 41.43 H new ATOM 454 N VAL A 34 0.384 -8.428 -6.968 1.00 43.43 N ATOM 455 CA VAL A 34 1.382 -8.527 -5.916 1.00 51.33 C ATOM 456 C VAL A 34 2.309 -7.311 -5.982 1.00 32.41 C ATOM 457 O VAL A 34 2.382 -6.638 -7.009 1.00 4.03 O ATOM 458 CB VAL A 34 2.130 -9.856 -6.028 1.00 31.53 C ATOM 459 CG1 VAL A 34 2.911 -10.155 -4.747 1.00 5.34 C ATOM 460 CG2 VAL A 34 1.170 -10.999 -6.363 1.00 20.51 C ATOM 0 H VAL A 34 0.636 -8.894 -7.840 1.00 43.43 H new ATOM 0 HA VAL A 34 0.906 -8.519 -4.936 1.00 51.33 H new ATOM 0 HB VAL A 34 2.846 -9.769 -6.845 1.00 31.53 H new ATOM 0 HG11 VAL A 34 3.434 -11.106 -4.853 1.00 5.34 H new ATOM 0 HG12 VAL A 34 3.635 -9.360 -4.569 1.00 5.34 H new ATOM 0 HG13 VAL A 34 2.221 -10.212 -3.905 1.00 5.34 H new ATOM 0 HG21 VAL A 34 1.728 -11.933 -6.437 1.00 20.51 H new ATOM 0 HG22 VAL A 34 0.419 -11.086 -5.577 1.00 20.51 H new ATOM 0 HG23 VAL A 34 0.678 -10.794 -7.314 1.00 20.51 H new ATOM 470 N LYS A 35 2.992 -7.068 -4.874 1.00 64.32 N ATOM 471 CA LYS A 35 3.912 -5.946 -4.794 1.00 33.25 C ATOM 472 C LYS A 35 5.350 -6.462 -4.886 1.00 21.03 C ATOM 473 O LYS A 35 5.655 -7.549 -4.397 1.00 2.25 O ATOM 474 CB LYS A 35 3.636 -5.116 -3.538 1.00 32.21 C ATOM 475 CG LYS A 35 4.421 -5.656 -2.341 1.00 13.04 C ATOM 476 CD LYS A 35 5.734 -4.893 -2.157 1.00 25.14 C ATOM 477 CE LYS A 35 5.525 -3.638 -1.308 1.00 40.14 C ATOM 478 NZ LYS A 35 6.268 -3.745 -0.032 1.00 74.23 N ATOM 0 H LYS A 35 2.927 -7.628 -4.024 1.00 64.32 H new ATOM 0 HA LYS A 35 3.762 -5.270 -5.635 1.00 33.25 H new ATOM 0 HB2 LYS A 35 3.909 -4.076 -3.718 1.00 32.21 H new ATOM 0 HB3 LYS A 35 2.569 -5.131 -3.315 1.00 32.21 H new ATOM 0 HG2 LYS A 35 3.817 -5.571 -1.437 1.00 13.04 H new ATOM 0 HG3 LYS A 35 4.630 -6.716 -2.487 1.00 13.04 H new ATOM 0 HD2 LYS A 35 6.471 -5.540 -1.681 1.00 25.14 H new ATOM 0 HD3 LYS A 35 6.136 -4.615 -3.131 1.00 25.14 H new ATOM 0 HE2 LYS A 35 5.861 -2.759 -1.859 1.00 40.14 H new ATOM 0 HE3 LYS A 35 4.463 -3.501 -1.107 1.00 40.14 H new ATOM 0 HZ1 LYS A 35 6.115 -2.885 0.532 1.00 74.23 H new ATOM 0 HZ2 LYS A 35 5.928 -4.572 0.499 1.00 74.23 H new ATOM 0 HZ3 LYS A 35 7.283 -3.853 -0.230 1.00 74.23 H new ATOM 491 N GLN A 36 6.194 -5.658 -5.516 1.00 75.45 N ATOM 492 CA GLN A 36 7.591 -6.020 -5.679 1.00 65.40 C ATOM 493 C GLN A 36 8.409 -5.530 -4.482 1.00 3.42 C ATOM 494 O GLN A 36 8.165 -4.441 -3.963 1.00 32.14 O ATOM 495 CB GLN A 36 8.152 -5.467 -6.991 1.00 30.44 C ATOM 496 CG GLN A 36 7.101 -5.519 -8.101 1.00 41.23 C ATOM 497 CD GLN A 36 6.985 -6.929 -8.682 1.00 24.35 C ATOM 498 OE1 GLN A 36 7.896 -7.448 -9.306 1.00 3.12 O ATOM 499 NE2 GLN A 36 5.818 -7.520 -8.440 1.00 62.04 N ATOM 0 H GLN A 36 5.937 -4.757 -5.920 1.00 75.45 H new ATOM 0 HA GLN A 36 7.662 -7.107 -5.722 1.00 65.40 H new ATOM 0 HB2 GLN A 36 8.481 -4.438 -6.845 1.00 30.44 H new ATOM 0 HB3 GLN A 36 9.028 -6.043 -7.288 1.00 30.44 H new ATOM 0 HG2 GLN A 36 6.135 -5.204 -7.707 1.00 41.23 H new ATOM 0 HG3 GLN A 36 7.367 -4.817 -8.891 1.00 41.23 H new ATOM 0 HE21 GLN A 36 5.098 -7.029 -7.911 1.00 62.04 H new ATOM 0 HE22 GLN A 36 5.644 -8.464 -8.784 1.00 62.04 H new TER 508 GLN A 36 ATOM 509 N ALA B 1 -1.696 1.217 -19.985 1.00 73.15 N ATOM 510 CA ALA B 1 -1.754 -0.070 -20.657 1.00 44.11 C ATOM 511 C ALA B 1 -0.442 -0.308 -21.408 1.00 53.12 C ATOM 512 O ALA B 1 0.176 -1.361 -21.267 1.00 30.22 O ATOM 513 CB ALA B 1 -2.971 -0.108 -21.583 1.00 32.23 C ATOM 0 H1 ALA B 1 -2.468 1.282 -19.291 1.00 73.15 H new ATOM 0 H2 ALA B 1 -0.783 1.313 -19.496 1.00 73.15 H new ATOM 0 H3 ALA B 1 -1.795 1.979 -20.686 1.00 73.15 H new ATOM 0 HA ALA B 1 -1.870 -0.876 -19.933 1.00 44.11 H new ATOM 0 HB1 ALA B 1 -3.015 -1.073 -22.087 1.00 32.23 H new ATOM 0 HB2 ALA B 1 -3.879 0.037 -20.997 1.00 32.23 H new ATOM 0 HB3 ALA B 1 -2.888 0.686 -22.326 1.00 32.23 H new ATOM 519 N ASN B 2 -0.057 0.690 -22.191 1.00 65.42 N ATOM 520 CA ASN B 2 1.170 0.602 -22.964 1.00 53.54 C ATOM 521 C ASN B 2 2.332 1.151 -22.134 1.00 21.54 C ATOM 522 O ASN B 2 2.193 2.173 -21.464 1.00 30.03 O ATOM 523 CB ASN B 2 1.073 1.431 -24.247 1.00 1.14 C ATOM 524 CG ASN B 2 0.459 0.613 -25.384 1.00 30.21 C ATOM 525 OD1 ASN B 2 -0.068 -0.470 -25.190 1.00 34.32 O ATOM 526 ND2 ASN B 2 0.558 1.188 -26.579 1.00 44.32 N ATOM 0 H ASN B 2 -0.573 1.562 -22.306 1.00 65.42 H new ATOM 0 HA ASN B 2 1.332 -0.445 -23.221 1.00 53.54 H new ATOM 0 HB2 ASN B 2 0.468 2.319 -24.065 1.00 1.14 H new ATOM 0 HB3 ASN B 2 2.066 1.776 -24.537 1.00 1.14 H new ATOM 0 HD21 ASN B 2 0.180 0.720 -27.403 1.00 44.32 H new ATOM 0 HD22 ASN B 2 1.012 2.097 -26.672 1.00 44.32 H new ATOM 533 N GLU B 3 3.452 0.447 -22.206 1.00 3.11 N ATOM 534 CA GLU B 3 4.638 0.850 -21.468 1.00 13.30 C ATOM 535 C GLU B 3 4.790 2.373 -21.500 1.00 62.12 C ATOM 536 O GLU B 3 5.085 2.949 -22.546 1.00 0.13 O ATOM 537 CB GLU B 3 5.887 0.163 -22.021 1.00 63.51 C ATOM 538 CG GLU B 3 7.125 0.533 -21.201 1.00 43.44 C ATOM 539 CD GLU B 3 8.279 -0.431 -21.482 1.00 75.43 C ATOM 540 OE1 GLU B 3 8.541 -0.762 -22.649 1.00 1.45 O ATOM 541 OE2 GLU B 3 8.912 -0.843 -20.437 1.00 1.20 O ATOM 0 H GLU B 3 3.564 -0.400 -22.764 1.00 3.11 H new ATOM 0 HA GLU B 3 4.521 0.537 -20.430 1.00 13.30 H new ATOM 0 HB2 GLU B 3 5.748 -0.918 -22.008 1.00 63.51 H new ATOM 0 HB3 GLU B 3 6.035 0.453 -23.061 1.00 63.51 H new ATOM 0 HG2 GLU B 3 7.432 1.552 -21.439 1.00 43.44 H new ATOM 0 HG3 GLU B 3 6.881 0.513 -20.139 1.00 43.44 H new ATOM 548 N GLY B 4 4.582 2.980 -20.341 1.00 54.44 N ATOM 549 CA GLY B 4 4.692 4.424 -20.223 1.00 53.22 C ATOM 550 C GLY B 4 3.314 5.068 -20.052 1.00 33.14 C ATOM 551 O GLY B 4 3.202 6.290 -19.963 1.00 72.40 O ATOM 0 H GLY B 4 4.338 2.498 -19.476 1.00 54.44 H new ATOM 0 HA2 GLY B 4 5.323 4.676 -19.371 1.00 53.22 H new ATOM 0 HA3 GLY B 4 5.179 4.829 -21.110 1.00 53.22 H new ATOM 555 N ASP B 5 2.300 4.216 -20.009 1.00 55.35 N ATOM 556 CA ASP B 5 0.934 4.685 -19.849 1.00 61.13 C ATOM 557 C ASP B 5 0.635 4.874 -18.361 1.00 33.23 C ATOM 558 O ASP B 5 1.264 4.243 -17.513 1.00 64.21 O ATOM 559 CB ASP B 5 -0.066 3.671 -20.409 1.00 0.25 C ATOM 560 CG ASP B 5 -0.505 3.923 -21.852 1.00 13.42 C ATOM 561 OD1 ASP B 5 -0.363 5.139 -22.260 1.00 50.11 O ATOM 562 OD2 ASP B 5 -0.960 3.006 -22.551 1.00 61.30 O ATOM 0 H ASP B 5 2.397 3.203 -20.082 1.00 55.35 H new ATOM 0 HA ASP B 5 0.835 5.625 -20.391 1.00 61.13 H new ATOM 0 HB2 ASP B 5 0.376 2.676 -20.348 1.00 0.25 H new ATOM 0 HB3 ASP B 5 -0.950 3.666 -19.772 1.00 0.25 H new ATOM 567 N VAL B 6 -0.326 5.743 -18.088 1.00 54.35 N ATOM 568 CA VAL B 6 -0.717 6.023 -16.717 1.00 25.10 C ATOM 569 C VAL B 6 -2.221 5.793 -16.563 1.00 50.01 C ATOM 570 O VAL B 6 -3.002 6.161 -17.439 1.00 35.22 O ATOM 571 CB VAL B 6 -0.285 7.438 -16.328 1.00 11.32 C ATOM 572 CG1 VAL B 6 -1.069 7.935 -15.111 1.00 50.33 C ATOM 573 CG2 VAL B 6 1.222 7.502 -16.072 1.00 73.54 C ATOM 0 H VAL B 6 -0.847 6.264 -18.794 1.00 54.35 H new ATOM 0 HA VAL B 6 -0.213 5.344 -16.030 1.00 25.10 H new ATOM 0 HB VAL B 6 -0.510 8.098 -17.165 1.00 11.32 H new ATOM 0 HG11 VAL B 6 -0.743 8.943 -14.855 1.00 50.33 H new ATOM 0 HG12 VAL B 6 -2.134 7.946 -15.344 1.00 50.33 H new ATOM 0 HG13 VAL B 6 -0.889 7.270 -14.266 1.00 50.33 H new ATOM 0 HG21 VAL B 6 1.502 8.519 -15.797 1.00 73.54 H new ATOM 0 HG22 VAL B 6 1.482 6.822 -15.261 1.00 73.54 H new ATOM 0 HG23 VAL B 6 1.757 7.210 -16.976 1.00 73.54 H new ATOM 583 N TYR B 7 -2.584 5.186 -15.442 1.00 65.22 N ATOM 584 CA TYR B 7 -3.981 4.903 -15.162 1.00 64.42 C ATOM 585 C TYR B 7 -4.364 5.370 -13.757 1.00 64.30 C ATOM 586 O TYR B 7 -3.662 5.080 -12.789 1.00 64.53 O ATOM 587 CB TYR B 7 -4.126 3.381 -15.237 1.00 63.22 C ATOM 588 CG TYR B 7 -4.556 2.864 -16.612 1.00 41.44 C ATOM 589 CD1 TYR B 7 -3.733 3.045 -17.706 1.00 1.34 C ATOM 590 CD2 TYR B 7 -5.766 2.217 -16.759 1.00 4.24 C ATOM 591 CE1 TYR B 7 -4.137 2.559 -18.999 1.00 52.01 C ATOM 592 CE2 TYR B 7 -6.170 1.732 -18.053 1.00 60.53 C ATOM 593 CZ TYR B 7 -5.335 1.926 -19.109 1.00 54.43 C ATOM 594 OH TYR B 7 -5.717 1.466 -20.331 1.00 12.52 O ATOM 0 H TYR B 7 -1.934 4.882 -14.717 1.00 65.22 H new ATOM 0 HA TYR B 7 -4.627 5.421 -15.871 1.00 64.42 H new ATOM 0 HB2 TYR B 7 -3.174 2.922 -14.969 1.00 63.22 H new ATOM 0 HB3 TYR B 7 -4.856 3.059 -14.494 1.00 63.22 H new ATOM 0 HD1 TYR B 7 -2.786 3.551 -17.591 1.00 1.34 H new ATOM 0 HD2 TYR B 7 -6.410 2.074 -15.904 1.00 4.24 H new ATOM 0 HE1 TYR B 7 -3.503 2.694 -19.863 1.00 52.01 H new ATOM 0 HE2 TYR B 7 -7.115 1.225 -18.182 1.00 60.53 H new ATOM 0 HH TYR B 7 -6.594 1.035 -20.259 1.00 12.52 H new ATOM 604 N LYS B 8 -5.476 6.086 -13.688 1.00 73.12 N ATOM 605 CA LYS B 8 -5.961 6.596 -12.418 1.00 14.11 C ATOM 606 C LYS B 8 -7.442 6.244 -12.263 1.00 1.01 C ATOM 607 O LYS B 8 -8.134 6.008 -13.252 1.00 50.50 O ATOM 608 CB LYS B 8 -5.669 8.093 -12.294 1.00 52.55 C ATOM 609 CG LYS B 8 -6.245 8.660 -10.996 1.00 74.41 C ATOM 610 CD LYS B 8 -6.082 10.180 -10.941 1.00 24.14 C ATOM 611 CE LYS B 8 -7.441 10.880 -11.003 1.00 54.54 C ATOM 612 NZ LYS B 8 -7.413 12.137 -10.223 1.00 21.11 N ATOM 0 H LYS B 8 -6.056 6.325 -14.493 1.00 73.12 H new ATOM 0 HA LYS B 8 -5.432 6.122 -11.591 1.00 14.11 H new ATOM 0 HB2 LYS B 8 -4.592 8.260 -12.321 1.00 52.55 H new ATOM 0 HB3 LYS B 8 -6.095 8.622 -13.146 1.00 52.55 H new ATOM 0 HG2 LYS B 8 -7.301 8.401 -10.919 1.00 74.41 H new ATOM 0 HG3 LYS B 8 -5.742 8.206 -10.142 1.00 74.41 H new ATOM 0 HD2 LYS B 8 -5.566 10.461 -10.023 1.00 24.14 H new ATOM 0 HD3 LYS B 8 -5.459 10.513 -11.771 1.00 24.14 H new ATOM 0 HE2 LYS B 8 -7.699 11.094 -12.040 1.00 54.54 H new ATOM 0 HE3 LYS B 8 -8.215 10.220 -10.612 1.00 54.54 H new ATOM 0 HZ1 LYS B 8 -8.343 12.599 -10.276 1.00 21.11 H new ATOM 0 HZ2 LYS B 8 -7.188 11.925 -9.230 1.00 21.11 H new ATOM 0 HZ3 LYS B 8 -6.688 12.772 -10.614 1.00 21.11 H new ATOM 625 N CYS B 9 -7.884 6.221 -11.014 1.00 51.13 N ATOM 626 CA CYS B 9 -9.271 5.902 -10.718 1.00 31.35 C ATOM 627 C CYS B 9 -10.015 7.209 -10.439 1.00 52.11 C ATOM 628 O CYS B 9 -9.397 8.262 -10.292 1.00 64.53 O ATOM 629 CB CYS B 9 -9.388 4.918 -9.551 1.00 5.45 C ATOM 630 SG CYS B 9 -11.042 4.160 -9.349 1.00 40.11 S ATOM 0 H CYS B 9 -7.307 6.418 -10.196 1.00 51.13 H new ATOM 0 HA CYS B 9 -9.724 5.403 -11.575 1.00 31.35 H new ATOM 0 HB2 CYS B 9 -8.654 4.124 -9.689 1.00 5.45 H new ATOM 0 HB3 CYS B 9 -9.127 5.437 -8.629 1.00 5.45 H new ATOM 635 N GLU B 10 -11.335 7.099 -10.374 1.00 3.23 N ATOM 636 CA GLU B 10 -12.170 8.259 -10.116 1.00 11.32 C ATOM 637 C GLU B 10 -12.835 8.139 -8.742 1.00 44.34 C ATOM 638 O GLU B 10 -13.493 9.071 -8.284 1.00 33.11 O ATOM 639 CB GLU B 10 -13.217 8.438 -11.217 1.00 61.33 C ATOM 640 CG GLU B 10 -12.550 8.625 -12.581 1.00 44.44 C ATOM 641 CD GLU B 10 -11.934 10.020 -12.704 1.00 2.23 C ATOM 642 OE1 GLU B 10 -11.632 10.656 -11.682 1.00 52.34 O ATOM 643 OE2 GLU B 10 -11.771 10.441 -13.912 1.00 44.13 O ATOM 0 H GLU B 10 -11.845 6.224 -10.496 1.00 3.23 H new ATOM 0 HA GLU B 10 -11.536 9.145 -10.116 1.00 11.32 H new ATOM 0 HB2 GLU B 10 -13.873 7.568 -11.245 1.00 61.33 H new ATOM 0 HB3 GLU B 10 -13.842 9.302 -10.992 1.00 61.33 H new ATOM 0 HG2 GLU B 10 -11.777 7.869 -12.718 1.00 44.44 H new ATOM 0 HG3 GLU B 10 -13.285 8.477 -13.372 1.00 44.44 H new ATOM 650 N LEU B 11 -12.638 6.983 -8.125 1.00 13.34 N ATOM 651 CA LEU B 11 -13.211 6.730 -6.813 1.00 50.14 C ATOM 652 C LEU B 11 -12.091 6.688 -5.772 1.00 44.45 C ATOM 653 O LEU B 11 -11.953 7.607 -4.965 1.00 74.20 O ATOM 654 CB LEU B 11 -14.073 5.465 -6.841 1.00 2.13 C ATOM 655 CG LEU B 11 -14.366 4.883 -8.225 1.00 11.54 C ATOM 656 CD1 LEU B 11 -14.748 3.405 -8.127 1.00 64.31 C ATOM 657 CD2 LEU B 11 -15.434 5.704 -8.950 1.00 62.14 C ATOM 0 H LEU B 11 -12.091 6.212 -8.508 1.00 13.34 H new ATOM 0 HA LEU B 11 -13.882 7.540 -6.527 1.00 50.14 H new ATOM 0 HB2 LEU B 11 -13.578 4.699 -6.244 1.00 2.13 H new ATOM 0 HB3 LEU B 11 -15.022 5.685 -6.353 1.00 2.13 H new ATOM 0 HG LEU B 11 -13.455 4.942 -8.821 1.00 11.54 H new ATOM 0 HD11 LEU B 11 -14.951 3.015 -9.124 1.00 64.31 H new ATOM 0 HD12 LEU B 11 -13.927 2.846 -7.679 1.00 64.31 H new ATOM 0 HD13 LEU B 11 -15.639 3.300 -7.508 1.00 64.31 H new ATOM 0 HD21 LEU B 11 -15.623 5.269 -9.931 1.00 62.14 H new ATOM 0 HD22 LEU B 11 -16.355 5.699 -8.367 1.00 62.14 H new ATOM 0 HD23 LEU B 11 -15.086 6.730 -9.069 1.00 62.14 H new ATOM 669 N CYS B 12 -11.318 5.613 -5.823 1.00 63.34 N ATOM 670 CA CYS B 12 -10.214 5.439 -4.894 1.00 51.54 C ATOM 671 C CYS B 12 -9.179 6.533 -5.169 1.00 72.11 C ATOM 672 O CYS B 12 -8.354 6.840 -4.311 1.00 15.43 O ATOM 673 CB CYS B 12 -9.605 4.039 -4.996 1.00 1.03 C ATOM 674 SG CYS B 12 -9.012 3.579 -6.664 1.00 23.50 S ATOM 0 H CYS B 12 -11.434 4.853 -6.494 1.00 63.34 H new ATOM 0 HA CYS B 12 -10.577 5.532 -3.871 1.00 51.54 H new ATOM 0 HB2 CYS B 12 -8.771 3.969 -4.297 1.00 1.03 H new ATOM 0 HB3 CYS B 12 -10.350 3.310 -4.677 1.00 1.03 H new ATOM 679 N GLY B 13 -9.258 7.089 -6.368 1.00 44.44 N ATOM 680 CA GLY B 13 -8.339 8.143 -6.766 1.00 62.15 C ATOM 681 C GLY B 13 -6.894 7.637 -6.767 1.00 11.34 C ATOM 682 O GLY B 13 -5.966 8.400 -6.502 1.00 0.22 O ATOM 0 H GLY B 13 -9.944 6.830 -7.077 1.00 44.44 H new ATOM 0 HA2 GLY B 13 -8.603 8.504 -7.760 1.00 62.15 H new ATOM 0 HA3 GLY B 13 -8.432 8.988 -6.084 1.00 62.15 H new ATOM 686 N GLN B 14 -6.750 6.356 -7.068 1.00 24.33 N ATOM 687 CA GLN B 14 -5.434 5.740 -7.107 1.00 4.45 C ATOM 688 C GLN B 14 -4.809 5.909 -8.492 1.00 42.42 C ATOM 689 O GLN B 14 -5.481 5.729 -9.507 1.00 53.11 O ATOM 690 CB GLN B 14 -5.508 4.263 -6.715 1.00 12.01 C ATOM 691 CG GLN B 14 -4.108 3.654 -6.604 1.00 55.54 C ATOM 692 CD GLN B 14 -4.073 2.247 -7.204 1.00 74.35 C ATOM 693 OE1 GLN B 14 -3.477 2.000 -8.240 1.00 4.30 O ATOM 694 NE2 GLN B 14 -4.744 1.341 -6.498 1.00 3.32 N ATOM 0 H GLN B 14 -7.522 5.727 -7.287 1.00 24.33 H new ATOM 0 HA GLN B 14 -4.797 6.244 -6.379 1.00 4.45 H new ATOM 0 HB2 GLN B 14 -6.029 4.161 -5.763 1.00 12.01 H new ATOM 0 HB3 GLN B 14 -6.089 3.715 -7.457 1.00 12.01 H new ATOM 0 HG2 GLN B 14 -3.389 4.291 -7.119 1.00 55.54 H new ATOM 0 HG3 GLN B 14 -3.807 3.614 -5.557 1.00 55.54 H new ATOM 0 HE21 GLN B 14 -5.221 1.615 -5.639 1.00 3.32 H new ATOM 0 HE22 GLN B 14 -4.781 0.372 -6.816 1.00 3.32 H new ATOM 703 N VAL B 15 -3.529 6.253 -8.492 1.00 12.22 N ATOM 704 CA VAL B 15 -2.807 6.449 -9.737 1.00 41.12 C ATOM 705 C VAL B 15 -1.658 5.442 -9.819 1.00 24.13 C ATOM 706 O VAL B 15 -0.984 5.182 -8.823 1.00 11.04 O ATOM 707 CB VAL B 15 -2.338 7.902 -9.847 1.00 64.45 C ATOM 708 CG1 VAL B 15 -1.749 8.183 -11.232 1.00 3.41 C ATOM 709 CG2 VAL B 15 -3.477 8.871 -9.528 1.00 31.10 C ATOM 0 H VAL B 15 -2.974 6.401 -7.649 1.00 12.22 H new ATOM 0 HA VAL B 15 -3.460 6.267 -10.590 1.00 41.12 H new ATOM 0 HB VAL B 15 -1.551 8.058 -9.110 1.00 64.45 H new ATOM 0 HG11 VAL B 15 -1.423 9.222 -11.285 1.00 3.41 H new ATOM 0 HG12 VAL B 15 -0.897 7.526 -11.405 1.00 3.41 H new ATOM 0 HG13 VAL B 15 -2.507 8.001 -11.994 1.00 3.41 H new ATOM 0 HG21 VAL B 15 -3.117 9.896 -9.613 1.00 31.10 H new ATOM 0 HG22 VAL B 15 -4.296 8.714 -10.230 1.00 31.10 H new ATOM 0 HG23 VAL B 15 -3.831 8.694 -8.512 1.00 31.10 H new ATOM 719 N VAL B 16 -1.469 4.902 -11.013 1.00 45.14 N ATOM 720 CA VAL B 16 -0.413 3.930 -11.237 1.00 44.33 C ATOM 721 C VAL B 16 0.122 4.084 -12.663 1.00 24.12 C ATOM 722 O VAL B 16 -0.537 4.675 -13.517 1.00 30.42 O ATOM 723 CB VAL B 16 -0.928 2.520 -10.942 1.00 32.04 C ATOM 724 CG1 VAL B 16 -1.169 2.329 -9.442 1.00 63.44 C ATOM 725 CG2 VAL B 16 -2.197 2.221 -11.743 1.00 61.40 C ATOM 0 H VAL B 16 -2.030 5.119 -11.837 1.00 45.14 H new ATOM 0 HA VAL B 16 0.419 4.107 -10.556 1.00 44.33 H new ATOM 0 HB VAL B 16 -0.161 1.810 -11.253 1.00 32.04 H new ATOM 0 HG11 VAL B 16 -1.535 1.319 -9.258 1.00 63.44 H new ATOM 0 HG12 VAL B 16 -0.235 2.481 -8.901 1.00 63.44 H new ATOM 0 HG13 VAL B 16 -1.909 3.051 -9.098 1.00 63.44 H new ATOM 0 HG21 VAL B 16 -2.542 1.213 -11.515 1.00 61.40 H new ATOM 0 HG22 VAL B 16 -2.973 2.939 -11.477 1.00 61.40 H new ATOM 0 HG23 VAL B 16 -1.981 2.298 -12.809 1.00 61.40 H new ATOM 735 N LYS B 17 1.312 3.541 -12.876 1.00 35.43 N ATOM 736 CA LYS B 17 1.943 3.610 -14.183 1.00 53.52 C ATOM 737 C LYS B 17 1.975 2.212 -14.804 1.00 1.44 C ATOM 738 O LYS B 17 1.809 1.214 -14.103 1.00 43.22 O ATOM 739 CB LYS B 17 3.320 4.269 -14.079 1.00 53.11 C ATOM 740 CG LYS B 17 3.695 4.964 -15.389 1.00 52.11 C ATOM 741 CD LYS B 17 5.106 4.572 -15.833 1.00 53.23 C ATOM 742 CE LYS B 17 5.069 3.363 -16.771 1.00 31.45 C ATOM 743 NZ LYS B 17 6.221 3.391 -17.699 1.00 21.13 N ATOM 0 H LYS B 17 1.856 3.051 -12.165 1.00 35.43 H new ATOM 0 HA LYS B 17 1.362 4.243 -14.853 1.00 53.52 H new ATOM 0 HB2 LYS B 17 3.320 4.994 -13.265 1.00 53.11 H new ATOM 0 HB3 LYS B 17 4.070 3.517 -13.835 1.00 53.11 H new ATOM 0 HG2 LYS B 17 2.978 4.696 -16.165 1.00 52.11 H new ATOM 0 HG3 LYS B 17 3.637 6.045 -15.261 1.00 52.11 H new ATOM 0 HD2 LYS B 17 5.580 5.414 -16.338 1.00 53.23 H new ATOM 0 HD3 LYS B 17 5.715 4.341 -14.959 1.00 53.23 H new ATOM 0 HE2 LYS B 17 5.087 2.442 -16.188 1.00 31.45 H new ATOM 0 HE3 LYS B 17 4.138 3.363 -17.338 1.00 31.45 H new ATOM 0 HZ1 LYS B 17 5.991 2.846 -18.554 1.00 21.13 H new ATOM 0 HZ2 LYS B 17 6.431 4.375 -17.962 1.00 21.13 H new ATOM 0 HZ3 LYS B 17 7.052 2.972 -17.234 1.00 21.13 H new ATOM 756 N VAL B 18 2.191 2.184 -16.110 1.00 72.15 N ATOM 757 CA VAL B 18 2.247 0.925 -16.834 1.00 11.03 C ATOM 758 C VAL B 18 3.698 0.626 -17.215 1.00 31.30 C ATOM 759 O VAL B 18 4.133 0.954 -18.317 1.00 63.34 O ATOM 760 CB VAL B 18 1.309 0.972 -18.041 1.00 54.13 C ATOM 761 CG1 VAL B 18 1.461 -0.282 -18.903 1.00 21.42 C ATOM 762 CG2 VAL B 18 -0.144 1.161 -17.600 1.00 31.31 C ATOM 0 H VAL B 18 2.330 3.014 -16.687 1.00 72.15 H new ATOM 0 HA VAL B 18 1.901 0.106 -16.203 1.00 11.03 H new ATOM 0 HB VAL B 18 1.589 1.832 -18.649 1.00 54.13 H new ATOM 0 HG11 VAL B 18 0.783 -0.223 -19.754 1.00 21.42 H new ATOM 0 HG12 VAL B 18 2.488 -0.355 -19.261 1.00 21.42 H new ATOM 0 HG13 VAL B 18 1.221 -1.163 -18.308 1.00 21.42 H new ATOM 0 HG21 VAL B 18 -0.790 1.191 -18.478 1.00 31.31 H new ATOM 0 HG22 VAL B 18 -0.441 0.331 -16.959 1.00 31.31 H new ATOM 0 HG23 VAL B 18 -0.238 2.096 -17.048 1.00 31.31 H new ATOM 772 N LEU B 19 4.406 0.006 -16.282 1.00 51.00 N ATOM 773 CA LEU B 19 5.799 -0.341 -16.507 1.00 42.41 C ATOM 774 C LEU B 19 5.883 -1.410 -17.598 1.00 24.04 C ATOM 775 O LEU B 19 6.763 -1.359 -18.456 1.00 50.31 O ATOM 776 CB LEU B 19 6.468 -0.749 -15.193 1.00 5.52 C ATOM 777 CG LEU B 19 7.859 -0.162 -14.939 1.00 30.51 C ATOM 778 CD1 LEU B 19 7.971 0.386 -13.515 1.00 0.11 C ATOM 779 CD2 LEU B 19 8.951 -1.189 -15.245 1.00 2.40 C ATOM 0 H LEU B 19 4.041 -0.265 -15.369 1.00 51.00 H new ATOM 0 HA LEU B 19 6.355 0.525 -16.865 1.00 42.41 H new ATOM 0 HB2 LEU B 19 5.816 -0.457 -14.370 1.00 5.52 H new ATOM 0 HB3 LEU B 19 6.544 -1.836 -15.169 1.00 5.52 H new ATOM 0 HG LEU B 19 8.005 0.677 -15.619 1.00 30.51 H new ATOM 0 HD11 LEU B 19 8.969 0.797 -13.361 1.00 0.11 H new ATOM 0 HD12 LEU B 19 7.229 1.170 -13.368 1.00 0.11 H new ATOM 0 HD13 LEU B 19 7.796 -0.418 -12.801 1.00 0.11 H new ATOM 0 HD21 LEU B 19 9.929 -0.747 -15.056 1.00 2.40 H new ATOM 0 HD22 LEU B 19 8.818 -2.062 -14.607 1.00 2.40 H new ATOM 0 HD23 LEU B 19 8.884 -1.490 -16.290 1.00 2.40 H new ATOM 791 N GLU B 20 4.958 -2.355 -17.529 1.00 22.54 N ATOM 792 CA GLU B 20 4.917 -3.436 -18.499 1.00 44.44 C ATOM 793 C GLU B 20 3.468 -3.834 -18.790 1.00 22.42 C ATOM 794 O GLU B 20 2.727 -4.202 -17.879 1.00 25.12 O ATOM 795 CB GLU B 20 5.730 -4.638 -18.016 1.00 22.52 C ATOM 796 CG GLU B 20 7.231 -4.381 -18.167 1.00 32.23 C ATOM 797 CD GLU B 20 8.047 -5.484 -17.490 1.00 32.45 C ATOM 798 OE1 GLU B 20 8.211 -5.468 -16.261 1.00 72.54 O ATOM 799 OE2 GLU B 20 8.517 -6.383 -18.288 1.00 40.32 O ATOM 0 H GLU B 20 4.230 -2.395 -16.816 1.00 22.54 H new ATOM 0 HA GLU B 20 5.369 -3.083 -19.426 1.00 44.44 H new ATOM 0 HB2 GLU B 20 5.496 -4.844 -16.972 1.00 22.52 H new ATOM 0 HB3 GLU B 20 5.450 -5.524 -18.586 1.00 22.52 H new ATOM 0 HG2 GLU B 20 7.490 -4.329 -19.224 1.00 32.23 H new ATOM 0 HG3 GLU B 20 7.484 -3.416 -17.729 1.00 32.23 H new ATOM 806 N GLU B 21 3.107 -3.747 -20.061 1.00 44.50 N ATOM 807 CA GLU B 21 1.761 -4.094 -20.482 1.00 54.33 C ATOM 808 C GLU B 21 1.513 -5.590 -20.287 1.00 60.40 C ATOM 809 O GLU B 21 2.456 -6.378 -20.230 1.00 32.14 O ATOM 810 CB GLU B 21 1.518 -3.683 -21.936 1.00 14.02 C ATOM 811 CG GLU B 21 2.342 -4.545 -22.895 1.00 30.12 C ATOM 812 CD GLU B 21 1.712 -4.571 -24.288 1.00 32.32 C ATOM 813 OE1 GLU B 21 1.601 -3.522 -24.939 1.00 13.42 O ATOM 814 OE2 GLU B 21 1.331 -5.735 -24.692 1.00 75.14 O ATOM 0 H GLU B 21 3.724 -3.441 -20.814 1.00 44.50 H new ATOM 0 HA GLU B 21 1.054 -3.544 -19.860 1.00 54.33 H new ATOM 0 HB2 GLU B 21 0.459 -3.780 -22.173 1.00 14.02 H new ATOM 0 HB3 GLU B 21 1.779 -2.633 -22.069 1.00 14.02 H new ATOM 0 HG2 GLU B 21 3.358 -4.155 -22.959 1.00 30.12 H new ATOM 0 HG3 GLU B 21 2.414 -5.561 -22.506 1.00 30.12 H new ATOM 821 N GLY B 22 0.237 -5.939 -20.190 1.00 44.11 N ATOM 822 CA GLY B 22 -0.147 -7.328 -20.003 1.00 4.12 C ATOM 823 C GLY B 22 -1.278 -7.717 -20.955 1.00 73.05 C ATOM 824 O GLY B 22 -1.227 -7.407 -22.145 1.00 34.01 O ATOM 0 H GLY B 22 -0.543 -5.284 -20.237 1.00 44.11 H new ATOM 0 HA2 GLY B 22 0.715 -7.973 -20.174 1.00 4.12 H new ATOM 0 HA3 GLY B 22 -0.464 -7.486 -18.972 1.00 4.12 H new ATOM 828 N GLY B 23 -2.273 -8.390 -20.397 1.00 71.42 N ATOM 829 CA GLY B 23 -3.416 -8.825 -21.183 1.00 30.34 C ATOM 830 C GLY B 23 -4.633 -9.075 -20.290 1.00 22.25 C ATOM 831 O GLY B 23 -5.322 -10.082 -20.441 1.00 71.43 O ATOM 0 H GLY B 23 -2.312 -8.645 -19.410 1.00 71.42 H new ATOM 0 HA2 GLY B 23 -3.658 -8.068 -21.929 1.00 30.34 H new ATOM 0 HA3 GLY B 23 -3.164 -9.737 -21.724 1.00 30.34 H new ATOM 835 N GLY B 24 -4.859 -8.141 -19.377 1.00 42.52 N ATOM 836 CA GLY B 24 -5.980 -8.246 -18.460 1.00 64.41 C ATOM 837 C GLY B 24 -6.597 -6.873 -18.187 1.00 73.22 C ATOM 838 O GLY B 24 -6.534 -5.982 -19.033 1.00 15.11 O ATOM 0 H GLY B 24 -4.284 -7.308 -19.253 1.00 42.52 H new ATOM 0 HA2 GLY B 24 -6.735 -8.911 -18.878 1.00 64.41 H new ATOM 0 HA3 GLY B 24 -5.647 -8.692 -17.523 1.00 64.41 H new ATOM 842 N THR B 25 -7.179 -6.746 -17.003 1.00 44.32 N ATOM 843 CA THR B 25 -7.805 -5.496 -16.609 1.00 31.02 C ATOM 844 C THR B 25 -7.257 -5.025 -15.261 1.00 24.43 C ATOM 845 O THR B 25 -6.845 -5.840 -14.435 1.00 42.13 O ATOM 846 CB THR B 25 -9.321 -5.708 -16.607 1.00 2.32 C ATOM 847 OG1 THR B 25 -9.681 -5.657 -17.985 1.00 5.12 O ATOM 848 CG2 THR B 25 -10.076 -4.532 -15.982 1.00 23.43 C ATOM 0 H THR B 25 -7.230 -7.488 -16.305 1.00 44.32 H new ATOM 0 HA THR B 25 -7.573 -4.698 -17.315 1.00 31.02 H new ATOM 0 HB THR B 25 -9.558 -6.623 -16.064 1.00 2.32 H new ATOM 0 HG1 THR B 25 -10.648 -5.787 -18.075 1.00 5.12 H new ATOM 0 HG21 THR B 25 -11.147 -4.733 -16.006 1.00 23.43 H new ATOM 0 HG22 THR B 25 -9.754 -4.401 -14.949 1.00 23.43 H new ATOM 0 HG23 THR B 25 -9.865 -3.623 -16.546 1.00 23.43 H new ATOM 856 N LEU B 26 -7.267 -3.713 -15.078 1.00 33.51 N ATOM 857 CA LEU B 26 -6.775 -3.125 -13.844 1.00 55.12 C ATOM 858 C LEU B 26 -7.962 -2.719 -12.969 1.00 21.04 C ATOM 859 O LEU B 26 -8.452 -1.595 -13.063 1.00 31.45 O ATOM 860 CB LEU B 26 -5.813 -1.975 -14.147 1.00 2.24 C ATOM 861 CG LEU B 26 -4.527 -2.351 -14.885 1.00 31.41 C ATOM 862 CD1 LEU B 26 -3.593 -1.146 -15.012 1.00 60.34 C ATOM 863 CD2 LEU B 26 -3.838 -3.541 -14.214 1.00 71.44 C ATOM 0 H LEU B 26 -7.608 -3.040 -15.764 1.00 33.51 H new ATOM 0 HA LEU B 26 -6.196 -3.855 -13.278 1.00 55.12 H new ATOM 0 HB2 LEU B 26 -6.344 -1.231 -14.740 1.00 2.24 H new ATOM 0 HB3 LEU B 26 -5.541 -1.498 -13.205 1.00 2.24 H new ATOM 0 HG LEU B 26 -4.793 -2.660 -15.896 1.00 31.41 H new ATOM 0 HD11 LEU B 26 -2.687 -1.442 -15.541 1.00 60.34 H new ATOM 0 HD12 LEU B 26 -4.095 -0.354 -15.568 1.00 60.34 H new ATOM 0 HD13 LEU B 26 -3.331 -0.782 -14.018 1.00 60.34 H new ATOM 0 HD21 LEU B 26 -2.926 -3.788 -14.758 1.00 71.44 H new ATOM 0 HD22 LEU B 26 -3.588 -3.284 -13.185 1.00 71.44 H new ATOM 0 HD23 LEU B 26 -4.508 -4.400 -14.220 1.00 71.44 H new ATOM 875 N VAL B 27 -8.391 -3.658 -12.138 1.00 60.01 N ATOM 876 CA VAL B 27 -9.511 -3.413 -11.246 1.00 54.33 C ATOM 877 C VAL B 27 -9.016 -2.670 -10.003 1.00 42.33 C ATOM 878 O VAL B 27 -7.826 -2.694 -9.695 1.00 70.03 O ATOM 879 CB VAL B 27 -10.214 -4.731 -10.914 1.00 11.55 C ATOM 880 CG1 VAL B 27 -10.872 -4.669 -9.533 1.00 42.30 C ATOM 881 CG2 VAL B 27 -11.237 -5.094 -11.991 1.00 42.15 C ATOM 0 H VAL B 27 -7.983 -4.590 -12.064 1.00 60.01 H new ATOM 0 HA VAL B 27 -10.252 -2.777 -11.731 1.00 54.33 H new ATOM 0 HB VAL B 27 -9.458 -5.516 -10.891 1.00 11.55 H new ATOM 0 HG11 VAL B 27 -11.365 -5.618 -9.322 1.00 42.30 H new ATOM 0 HG12 VAL B 27 -10.111 -4.478 -8.776 1.00 42.30 H new ATOM 0 HG13 VAL B 27 -11.609 -3.866 -9.517 1.00 42.30 H new ATOM 0 HG21 VAL B 27 -11.722 -6.035 -11.730 1.00 42.15 H new ATOM 0 HG22 VAL B 27 -11.987 -4.306 -12.061 1.00 42.15 H new ATOM 0 HG23 VAL B 27 -10.732 -5.200 -12.951 1.00 42.15 H new ATOM 891 N CYS B 28 -9.955 -2.026 -9.324 1.00 63.25 N ATOM 892 CA CYS B 28 -9.628 -1.277 -8.122 1.00 54.04 C ATOM 893 C CYS B 28 -10.935 -0.814 -7.476 1.00 21.42 C ATOM 894 O CYS B 28 -11.852 -0.375 -8.166 1.00 54.54 O ATOM 895 CB CYS B 28 -8.694 -0.104 -8.424 1.00 4.20 C ATOM 896 SG CYS B 28 -9.442 1.238 -9.418 1.00 14.33 S ATOM 0 H CYS B 28 -10.941 -2.008 -9.583 1.00 63.25 H new ATOM 0 HA CYS B 28 -9.086 -1.918 -7.426 1.00 54.04 H new ATOM 0 HB2 CYS B 28 -8.343 0.314 -7.481 1.00 4.20 H new ATOM 0 HB3 CYS B 28 -7.818 -0.482 -8.951 1.00 4.20 H new ATOM 901 N CYS B 29 -10.978 -0.929 -6.157 1.00 30.12 N ATOM 902 CA CYS B 29 -12.157 -0.528 -5.408 1.00 42.35 C ATOM 903 C CYS B 29 -13.391 -1.087 -6.119 1.00 50.15 C ATOM 904 O CYS B 29 -14.215 -0.329 -6.629 1.00 3.41 O ATOM 905 CB CYS B 29 -12.233 0.991 -5.243 1.00 42.30 C ATOM 906 SG CYS B 29 -12.483 1.921 -6.800 1.00 22.24 S ATOM 0 H CYS B 29 -10.215 -1.294 -5.587 1.00 30.12 H new ATOM 0 HA CYS B 29 -12.105 -0.935 -4.398 1.00 42.35 H new ATOM 0 HB2 CYS B 29 -13.049 1.228 -4.560 1.00 42.30 H new ATOM 0 HB3 CYS B 29 -11.313 1.338 -4.773 1.00 42.30 H new ATOM 911 N GLY B 30 -13.479 -2.409 -6.133 1.00 42.52 N ATOM 912 CA GLY B 30 -14.598 -3.077 -6.773 1.00 65.42 C ATOM 913 C GLY B 30 -15.022 -2.342 -8.046 1.00 4.41 C ATOM 914 O GLY B 30 -16.211 -2.238 -8.341 1.00 74.00 O ATOM 0 H GLY B 30 -12.793 -3.035 -5.711 1.00 42.52 H new ATOM 0 HA2 GLY B 30 -14.322 -4.103 -7.016 1.00 65.42 H new ATOM 0 HA3 GLY B 30 -15.439 -3.128 -6.081 1.00 65.42 H new ATOM 918 N GLU B 31 -14.024 -1.850 -8.766 1.00 52.45 N ATOM 919 CA GLU B 31 -14.279 -1.126 -10.001 1.00 24.15 C ATOM 920 C GLU B 31 -13.165 -1.399 -11.014 1.00 41.04 C ATOM 921 O GLU B 31 -12.385 -2.335 -10.849 1.00 31.13 O ATOM 922 CB GLU B 31 -14.424 0.373 -9.736 1.00 51.34 C ATOM 923 CG GLU B 31 -15.859 0.838 -9.995 1.00 13.35 C ATOM 924 CD GLU B 31 -15.943 1.678 -11.271 1.00 25.53 C ATOM 925 OE1 GLU B 31 -15.166 1.454 -12.212 1.00 34.14 O ATOM 926 OE2 GLU B 31 -16.855 2.589 -11.266 1.00 1.30 O ATOM 0 H GLU B 31 -13.038 -1.938 -8.518 1.00 52.45 H new ATOM 0 HA GLU B 31 -15.221 -1.480 -10.421 1.00 24.15 H new ATOM 0 HB2 GLU B 31 -14.147 0.592 -8.705 1.00 51.34 H new ATOM 0 HB3 GLU B 31 -13.737 0.927 -10.375 1.00 51.34 H new ATOM 0 HG2 GLU B 31 -16.515 -0.028 -10.082 1.00 13.35 H new ATOM 0 HG3 GLU B 31 -16.214 1.423 -9.147 1.00 13.35 H new ATOM 933 N ASP B 32 -13.126 -0.562 -12.041 1.00 61.25 N ATOM 934 CA ASP B 32 -12.121 -0.701 -13.082 1.00 14.21 C ATOM 935 C ASP B 32 -11.401 0.636 -13.271 1.00 73.15 C ATOM 936 O ASP B 32 -11.962 1.572 -13.838 1.00 73.24 O ATOM 937 CB ASP B 32 -12.760 -1.087 -14.417 1.00 74.42 C ATOM 938 CG ASP B 32 -12.586 -2.554 -14.817 1.00 23.21 C ATOM 939 OD1 ASP B 32 -13.032 -3.409 -13.961 1.00 44.10 O ATOM 940 OD2 ASP B 32 -12.052 -2.863 -15.892 1.00 62.45 O ATOM 0 H ASP B 32 -13.774 0.214 -12.174 1.00 61.25 H new ATOM 0 HA ASP B 32 -11.425 -1.482 -12.777 1.00 14.21 H new ATOM 0 HB2 ASP B 32 -13.826 -0.863 -14.371 1.00 74.42 H new ATOM 0 HB3 ASP B 32 -12.336 -0.460 -15.201 1.00 74.42 H new ATOM 945 N MET B 33 -10.170 0.682 -12.786 1.00 23.33 N ATOM 946 CA MET B 33 -9.367 1.889 -12.895 1.00 34.14 C ATOM 947 C MET B 33 -9.498 2.511 -14.286 1.00 33.22 C ATOM 948 O MET B 33 -9.686 1.800 -15.272 1.00 61.14 O ATOM 949 CB MET B 33 -7.900 1.553 -12.621 1.00 73.22 C ATOM 950 CG MET B 33 -7.293 2.529 -11.612 1.00 23.12 C ATOM 951 SD MET B 33 -5.592 2.866 -12.036 1.00 3.12 S ATOM 952 CE MET B 33 -5.138 1.301 -12.763 1.00 62.02 C ATOM 0 H MET B 33 -9.708 -0.097 -12.316 1.00 23.33 H new ATOM 0 HA MET B 33 -9.727 2.610 -12.161 1.00 34.14 H new ATOM 0 HB2 MET B 33 -7.822 0.535 -12.240 1.00 73.22 H new ATOM 0 HB3 MET B 33 -7.335 1.589 -13.552 1.00 73.22 H new ATOM 0 HG2 MET B 33 -7.865 3.457 -11.602 1.00 23.12 H new ATOM 0 HG3 MET B 33 -7.350 2.109 -10.608 1.00 23.12 H new ATOM 0 HE1 MET B 33 -4.071 1.300 -12.988 1.00 62.02 H new ATOM 0 HE2 MET B 33 -5.362 0.496 -12.063 1.00 62.02 H new ATOM 0 HE3 MET B 33 -5.703 1.150 -13.683 1.00 62.02 H new ATOM 962 N VAL B 34 -9.395 3.831 -14.322 1.00 34.43 N ATOM 963 CA VAL B 34 -9.500 4.557 -15.576 1.00 63.03 C ATOM 964 C VAL B 34 -8.096 4.858 -16.105 1.00 0.33 C ATOM 965 O VAL B 34 -7.120 4.794 -15.357 1.00 51.03 O ATOM 966 CB VAL B 34 -10.349 5.814 -15.384 1.00 14.25 C ATOM 967 CG1 VAL B 34 -10.867 6.336 -16.725 1.00 54.31 C ATOM 968 CG2 VAL B 34 -11.504 5.553 -14.415 1.00 14.25 C ATOM 0 H VAL B 34 -9.240 4.417 -13.502 1.00 34.43 H new ATOM 0 HA VAL B 34 -10.007 3.951 -16.327 1.00 63.03 H new ATOM 0 HB VAL B 34 -9.713 6.584 -14.948 1.00 14.25 H new ATOM 0 HG11 VAL B 34 -11.468 7.230 -16.560 1.00 54.31 H new ATOM 0 HG12 VAL B 34 -10.024 6.580 -17.371 1.00 54.31 H new ATOM 0 HG13 VAL B 34 -11.479 5.570 -17.201 1.00 54.31 H new ATOM 0 HG21 VAL B 34 -12.092 6.463 -14.296 1.00 14.25 H new ATOM 0 HG22 VAL B 34 -12.139 4.760 -14.811 1.00 14.25 H new ATOM 0 HG23 VAL B 34 -11.105 5.250 -13.447 1.00 14.25 H new ATOM 978 N LYS B 35 -8.038 5.182 -17.388 1.00 24.51 N ATOM 979 CA LYS B 35 -6.770 5.494 -18.025 1.00 1.51 C ATOM 980 C LYS B 35 -6.718 6.990 -18.344 1.00 75.41 C ATOM 981 O LYS B 35 -7.751 7.609 -18.595 1.00 45.41 O ATOM 982 CB LYS B 35 -6.548 4.597 -19.244 1.00 22.24 C ATOM 983 CG LYS B 35 -7.091 5.253 -20.514 1.00 55.22 C ATOM 984 CD LYS B 35 -5.986 6.001 -21.261 1.00 63.04 C ATOM 985 CE LYS B 35 -5.138 5.038 -22.094 1.00 23.14 C ATOM 986 NZ LYS B 35 -4.922 5.579 -23.455 1.00 34.15 N ATOM 0 H LYS B 35 -8.849 5.235 -18.004 1.00 24.51 H new ATOM 0 HA LYS B 35 -5.942 5.284 -17.348 1.00 1.51 H new ATOM 0 HB2 LYS B 35 -5.483 4.395 -19.362 1.00 22.24 H new ATOM 0 HB3 LYS B 35 -7.040 3.637 -19.088 1.00 22.24 H new ATOM 0 HG2 LYS B 35 -7.523 4.492 -21.164 1.00 55.22 H new ATOM 0 HG3 LYS B 35 -7.893 5.945 -20.256 1.00 55.22 H new ATOM 0 HD2 LYS B 35 -6.428 6.756 -21.910 1.00 63.04 H new ATOM 0 HD3 LYS B 35 -5.351 6.526 -20.547 1.00 63.04 H new ATOM 0 HE2 LYS B 35 -4.178 4.874 -21.605 1.00 23.14 H new ATOM 0 HE3 LYS B 35 -5.633 4.069 -22.156 1.00 23.14 H new ATOM 0 HZ1 LYS B 35 -4.345 4.912 -24.006 1.00 34.15 H new ATOM 0 HZ2 LYS B 35 -5.840 5.713 -23.925 1.00 34.15 H new ATOM 0 HZ3 LYS B 35 -4.429 6.493 -23.391 1.00 34.15 H new ATOM 999 N GLN B 36 -5.507 7.525 -18.323 1.00 51.14 N ATOM 1000 CA GLN B 36 -5.308 8.936 -18.609 1.00 34.24 C ATOM 1001 C GLN B 36 -4.979 9.138 -20.088 1.00 41.34 C ATOM 1002 O GLN B 36 -4.181 10.007 -20.438 1.00 51.12 O ATOM 1003 CB GLN B 36 -4.213 9.525 -17.717 1.00 44.45 C ATOM 1004 CG GLN B 36 -4.239 8.894 -16.324 1.00 63.15 C ATOM 1005 CD GLN B 36 -5.268 9.585 -15.428 1.00 54.41 C ATOM 1006 OE1 GLN B 36 -5.017 10.620 -14.833 1.00 62.34 O ATOM 1007 NE2 GLN B 36 -6.439 8.958 -15.365 1.00 54.04 N ATOM 0 H GLN B 36 -4.654 7.008 -18.113 1.00 51.14 H new ATOM 0 HA GLN B 36 -6.235 9.466 -18.390 1.00 34.24 H new ATOM 0 HB2 GLN B 36 -3.238 9.361 -18.176 1.00 44.45 H new ATOM 0 HB3 GLN B 36 -4.348 10.603 -17.634 1.00 44.45 H new ATOM 0 HG2 GLN B 36 -4.477 7.833 -16.406 1.00 63.15 H new ATOM 0 HG3 GLN B 36 -3.250 8.965 -15.870 1.00 63.15 H new ATOM 0 HE21 GLN B 36 -6.584 8.095 -15.888 1.00 54.04 H new ATOM 0 HE22 GLN B 36 -7.192 9.341 -14.793 1.00 54.04 H new TER 1016 GLN B 36 HETATM 1017 ZN ZN A 37 -2.960 -9.772 -14.986 1.00 12.24 ZN HETATM 1018 ZN ZN B 37 -10.791 2.585 -7.863 1.00 41.51 ZN