USER MOD reduce.3.24.130724 H: found=0, std=0, add=493, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 492 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 8 LYS NZ :NH3+ 168:sc= 1.46 (180deg=0.017) USER MOD Set 1.2: A 32 GLN : amide:sc= -1.18 K(o=0.28,f=-11!) USER MOD Single : A 1 LYS N :NH3+ 166:sc= -0.242 (180deg=-1) USER MOD Single : A 1 LYS NZ :NH3+ -166:sc= 2.46 (180deg=2.26) USER MOD Single : A 4 TYR OH : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.108 K(o=-0.11,f=-0.87) USER MOD Single : A 10 THR OG1 : rot -89:sc= 0.917 USER MOD Single : A 13 LYS NZ :NH3+ -168:sc= 1.73 (180deg=1.07) USER MOD Single : A 14 TYR OH : rot -21:sc= 1.09 USER MOD Single : A 18 LYS NZ :NH3+ 151:sc= 2.45 (180deg=0.815) USER MOD Single : A 22 ASN : amide:sc= -0.525 K(o=-0.52,f=-1.5) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ -171:sc= 1.71 (180deg=1.24) USER MOD Single : A 31 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 33 TYR OH : rot -155:sc= 0.742 USER MOD Single : A 35 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0145) USER MOD Single : A 40 TYR OH : rot -66:sc= 0.098 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot -68:sc= 1.19 USER MOD Single : A 50 HIS : no HD1:sc= -1.82 X(o=-1.8,f=-2) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= 0 K(o=0,f=-0.89) USER MOD Single : A 62 ASN : amide:sc= 0.527 K(o=0.53,f=-5.5!) USER MOD Single : A 63 LYS NZ :NH3+ -156:sc= 2.08 (180deg=0.327) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 -10.069 2.556 1.869 1.00 1.00 N ATOM 2 CA LYS A 1 -9.033 1.545 1.742 1.00 1.00 C ATOM 3 C LYS A 1 -8.796 1.246 0.261 1.00 1.00 C ATOM 4 O LYS A 1 -8.466 0.118 -0.103 1.00 1.00 O ATOM 5 CB LYS A 1 -9.386 0.309 2.571 1.00 1.00 C ATOM 6 CG LYS A 1 -10.863 -0.057 2.407 1.00 1.00 C ATOM 7 CD LYS A 1 -11.160 -0.508 0.976 1.00 1.00 C ATOM 8 CE LYS A 1 -12.530 -1.186 0.888 1.00 1.00 C ATOM 9 NZ LYS A 1 -12.852 -1.522 -0.517 1.00 1.00 N ATOM 0 H1 LYS A 1 -10.400 2.592 2.854 1.00 1.00 H new ATOM 0 H2 LYS A 1 -9.684 3.484 1.599 1.00 1.00 H new ATOM 0 H3 LYS A 1 -10.866 2.317 1.245 1.00 1.00 H new ATOM 0 HA LYS A 1 -8.090 1.913 2.147 1.00 1.00 H new ATOM 0 HB2 LYS A 1 -8.763 -0.531 2.262 1.00 1.00 H new ATOM 0 HB3 LYS A 1 -9.169 0.498 3.622 1.00 1.00 H new ATOM 0 HG2 LYS A 1 -11.124 -0.853 3.105 1.00 1.00 H new ATOM 0 HG3 LYS A 1 -11.484 0.803 2.658 1.00 1.00 H new ATOM 0 HD2 LYS A 1 -11.132 0.352 0.307 1.00 1.00 H new ATOM 0 HD3 LYS A 1 -10.386 -1.198 0.640 1.00 1.00 H new ATOM 0 HE2 LYS A 1 -12.534 -2.091 1.495 1.00 1.00 H new ATOM 0 HE3 LYS A 1 -13.296 -0.526 1.295 1.00 1.00 H new ATOM 0 HZ1 LYS A 1 -13.862 -1.758 -0.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 1 -12.639 -0.707 -1.127 1.00 1.00 H new ATOM 0 HZ3 LYS A 1 -12.282 -2.338 -0.818 1.00 1.00 H new ATOM 25 N GLU A 2 -8.976 2.275 -0.554 1.00 1.00 N ATOM 26 CA GLU A 2 -8.572 2.205 -1.948 1.00 1.00 C ATOM 27 C GLU A 2 -7.659 3.383 -2.297 1.00 1.00 C ATOM 28 O GLU A 2 -7.746 4.444 -1.680 1.00 1.00 O ATOM 29 CB GLU A 2 -9.792 2.165 -2.871 1.00 1.00 C ATOM 30 CG GLU A 2 -10.533 0.833 -2.743 1.00 1.00 C ATOM 31 CD GLU A 2 -11.999 0.979 -3.154 1.00 1.00 C ATOM 32 OE1 GLU A 2 -12.230 1.558 -4.237 1.00 1.00 O ATOM 33 OE2 GLU A 2 -12.857 0.510 -2.375 1.00 1.00 O ATOM 0 H GLU A 2 -9.396 3.162 -0.276 1.00 1.00 H new ATOM 0 HA GLU A 2 -8.013 1.281 -2.098 1.00 1.00 H new ATOM 0 HB2 GLU A 2 -10.466 2.985 -2.624 1.00 1.00 H new ATOM 0 HB3 GLU A 2 -9.476 2.312 -3.904 1.00 1.00 H new ATOM 0 HG2 GLU A 2 -10.049 0.082 -3.368 1.00 1.00 H new ATOM 0 HG3 GLU A 2 -10.474 0.477 -1.714 1.00 1.00 H new ATOM 40 N GLY A 3 -6.805 3.155 -3.283 1.00 1.00 N ATOM 41 CA GLY A 3 -5.763 4.116 -3.607 1.00 1.00 C ATOM 42 C GLY A 3 -4.722 3.501 -4.545 1.00 1.00 C ATOM 43 O GLY A 3 -4.952 2.440 -5.123 1.00 1.00 O ATOM 0 H GLY A 3 -6.812 2.320 -3.868 1.00 1.00 H new ATOM 0 HA2 GLY A 3 -6.206 4.994 -4.076 1.00 1.00 H new ATOM 0 HA3 GLY A 3 -5.278 4.454 -2.691 1.00 1.00 H new ATOM 47 N TYR A 4 -3.599 4.194 -4.665 1.00 1.00 N ATOM 48 CA TYR A 4 -2.562 3.780 -5.595 1.00 1.00 C ATOM 49 C TYR A 4 -1.755 2.610 -5.032 1.00 1.00 C ATOM 50 O TYR A 4 -1.239 2.686 -3.918 1.00 1.00 O ATOM 51 CB TYR A 4 -1.638 4.989 -5.760 1.00 1.00 C ATOM 52 CG TYR A 4 -2.356 6.266 -6.200 1.00 1.00 C ATOM 53 CD1 TYR A 4 -3.072 6.283 -7.379 1.00 1.00 C ATOM 54 CD2 TYR A 4 -2.286 7.401 -5.419 1.00 1.00 C ATOM 55 CE1 TYR A 4 -3.748 7.484 -7.794 1.00 1.00 C ATOM 56 CE2 TYR A 4 -2.962 8.604 -5.834 1.00 1.00 C ATOM 57 CZ TYR A 4 -3.660 8.586 -7.001 1.00 1.00 C ATOM 58 OH TYR A 4 -4.297 9.721 -7.393 1.00 1.00 O ATOM 0 H TYR A 4 -3.385 5.038 -4.134 1.00 1.00 H new ATOM 0 HA TYR A 4 -3.000 3.456 -6.539 1.00 1.00 H new ATOM 0 HB2 TYR A 4 -1.131 5.177 -4.814 1.00 1.00 H new ATOM 0 HB3 TYR A 4 -0.867 4.747 -6.492 1.00 1.00 H new ATOM 0 HD1 TYR A 4 -3.125 5.395 -7.991 1.00 1.00 H new ATOM 0 HD2 TYR A 4 -1.725 7.388 -4.497 1.00 1.00 H new ATOM 0 HE1 TYR A 4 -4.313 7.510 -8.714 1.00 1.00 H new ATOM 0 HE2 TYR A 4 -2.915 9.499 -5.232 1.00 1.00 H new ATOM 0 HH TYR A 4 -4.148 10.426 -6.729 1.00 1.00 H new ATOM 68 N LEU A 5 -1.672 1.553 -5.826 1.00 1.00 N ATOM 69 CA LEU A 5 -1.029 0.329 -5.380 1.00 1.00 C ATOM 70 C LEU A 5 0.449 0.608 -5.096 1.00 1.00 C ATOM 71 O LEU A 5 0.990 1.617 -5.544 1.00 1.00 O ATOM 72 CB LEU A 5 -1.258 -0.796 -6.391 1.00 1.00 C ATOM 73 CG LEU A 5 -0.234 -0.900 -7.523 1.00 1.00 C ATOM 74 CD1 LEU A 5 -0.418 -2.198 -8.312 1.00 1.00 C ATOM 75 CD2 LEU A 5 -0.289 0.333 -8.426 1.00 1.00 C ATOM 0 H LEU A 5 -2.040 1.519 -6.777 1.00 1.00 H new ATOM 0 HA LEU A 5 -1.474 -0.016 -4.447 1.00 1.00 H new ATOM 0 HB2 LEU A 5 -1.272 -1.744 -5.853 1.00 1.00 H new ATOM 0 HB3 LEU A 5 -2.246 -0.665 -6.833 1.00 1.00 H new ATOM 0 HG LEU A 5 0.762 -0.931 -7.081 1.00 1.00 H new ATOM 0 HD11 LEU A 5 0.322 -2.247 -9.110 1.00 1.00 H new ATOM 0 HD12 LEU A 5 -0.289 -3.051 -7.645 1.00 1.00 H new ATOM 0 HD13 LEU A 5 -1.419 -2.223 -8.743 1.00 1.00 H new ATOM 0 HD21 LEU A 5 0.449 0.234 -9.222 1.00 1.00 H new ATOM 0 HD22 LEU A 5 -1.284 0.421 -8.862 1.00 1.00 H new ATOM 0 HD23 LEU A 5 -0.071 1.225 -7.838 1.00 1.00 H new ATOM 87 N VAL A 6 1.057 -0.303 -4.351 1.00 1.00 N ATOM 88 CA VAL A 6 2.385 -0.064 -3.812 1.00 1.00 C ATOM 89 C VAL A 6 3.230 -1.330 -3.968 1.00 1.00 C ATOM 90 O VAL A 6 2.717 -2.441 -3.851 1.00 1.00 O ATOM 91 CB VAL A 6 2.283 0.413 -2.362 1.00 1.00 C ATOM 92 CG1 VAL A 6 1.510 -0.593 -1.507 1.00 1.00 C ATOM 93 CG2 VAL A 6 3.671 0.680 -1.774 1.00 1.00 C ATOM 0 H VAL A 6 0.655 -1.208 -4.108 1.00 1.00 H new ATOM 0 HA VAL A 6 2.885 0.730 -4.366 1.00 1.00 H new ATOM 0 HB VAL A 6 1.730 1.352 -2.356 1.00 1.00 H new ATOM 0 HG11 VAL A 6 1.452 -0.230 -0.481 1.00 1.00 H new ATOM 0 HG12 VAL A 6 0.503 -0.713 -1.907 1.00 1.00 H new ATOM 0 HG13 VAL A 6 2.023 -1.554 -1.523 1.00 1.00 H new ATOM 0 HG21 VAL A 6 3.570 1.018 -0.743 1.00 1.00 H new ATOM 0 HG22 VAL A 6 4.260 -0.237 -1.800 1.00 1.00 H new ATOM 0 HG23 VAL A 6 4.173 1.450 -2.361 1.00 1.00 H new ATOM 103 N ASP A 7 4.512 -1.119 -4.228 1.00 1.00 N ATOM 104 CA ASP A 7 5.459 -2.221 -4.267 1.00 1.00 C ATOM 105 C ASP A 7 5.824 -2.625 -2.838 1.00 1.00 C ATOM 106 O ASP A 7 6.188 -1.777 -2.024 1.00 1.00 O ATOM 107 CB ASP A 7 6.747 -1.815 -4.988 1.00 1.00 C ATOM 108 CG ASP A 7 7.856 -2.868 -4.970 1.00 1.00 C ATOM 109 OD1 ASP A 7 7.510 -4.055 -4.788 1.00 1.00 O ATOM 110 OD2 ASP A 7 9.026 -2.462 -5.138 1.00 1.00 O ATOM 0 H ASP A 7 4.917 -0.202 -4.414 1.00 1.00 H new ATOM 0 HA ASP A 7 4.992 -3.048 -4.801 1.00 1.00 H new ATOM 0 HB2 ASP A 7 6.507 -1.580 -6.025 1.00 1.00 H new ATOM 0 HB3 ASP A 7 7.127 -0.900 -4.533 1.00 1.00 H new ATOM 115 N LYS A 8 5.715 -3.919 -2.576 1.00 1.00 N ATOM 116 CA LYS A 8 5.918 -4.431 -1.232 1.00 1.00 C ATOM 117 C LYS A 8 7.409 -4.373 -0.890 1.00 1.00 C ATOM 118 O LYS A 8 7.780 -4.367 0.283 1.00 1.00 O ATOM 119 CB LYS A 8 5.309 -5.827 -1.091 1.00 1.00 C ATOM 120 CG LYS A 8 3.867 -5.747 -0.586 1.00 1.00 C ATOM 121 CD LYS A 8 2.961 -5.069 -1.617 1.00 1.00 C ATOM 122 CE LYS A 8 1.493 -5.422 -1.373 1.00 1.00 C ATOM 123 NZ LYS A 8 1.156 -6.712 -2.016 1.00 1.00 N ATOM 0 H LYS A 8 5.488 -4.629 -3.273 1.00 1.00 H new ATOM 0 HA LYS A 8 5.398 -3.808 -0.505 1.00 1.00 H new ATOM 0 HB2 LYS A 8 5.333 -6.337 -2.054 1.00 1.00 H new ATOM 0 HB3 LYS A 8 5.908 -6.421 -0.400 1.00 1.00 H new ATOM 0 HG2 LYS A 8 3.496 -6.750 -0.374 1.00 1.00 H new ATOM 0 HG3 LYS A 8 3.837 -5.191 0.351 1.00 1.00 H new ATOM 0 HD2 LYS A 8 3.092 -3.988 -1.567 1.00 1.00 H new ATOM 0 HD3 LYS A 8 3.251 -5.379 -2.621 1.00 1.00 H new ATOM 0 HE2 LYS A 8 1.300 -5.482 -0.302 1.00 1.00 H new ATOM 0 HE3 LYS A 8 0.853 -4.634 -1.769 1.00 1.00 H new ATOM 0 HZ1 LYS A 8 0.228 -7.037 -1.677 1.00 1.00 H new ATOM 0 HZ2 LYS A 8 1.123 -6.587 -3.048 1.00 1.00 H new ATOM 0 HZ3 LYS A 8 1.879 -7.419 -1.775 1.00 1.00 H new ATOM 137 N ASN A 9 8.223 -4.334 -1.934 1.00 1.00 N ATOM 138 CA ASN A 9 9.665 -4.309 -1.760 1.00 1.00 C ATOM 139 C ASN A 9 10.106 -2.889 -1.400 1.00 1.00 C ATOM 140 O ASN A 9 10.331 -2.583 -0.230 1.00 1.00 O ATOM 141 CB ASN A 9 10.382 -4.715 -3.048 1.00 1.00 C ATOM 142 CG ASN A 9 10.784 -6.191 -3.012 1.00 1.00 C ATOM 143 OD1 ASN A 9 10.237 -6.991 -2.270 1.00 1.00 O ATOM 144 ND2 ASN A 9 11.768 -6.505 -3.849 1.00 1.00 N ATOM 0 H ASN A 9 7.911 -4.319 -2.905 1.00 1.00 H new ATOM 0 HA ASN A 9 9.922 -5.012 -0.968 1.00 1.00 H new ATOM 0 HB2 ASN A 9 9.731 -4.533 -3.903 1.00 1.00 H new ATOM 0 HB3 ASN A 9 11.269 -4.096 -3.185 1.00 1.00 H new ATOM 0 HD21 ASN A 9 12.109 -7.465 -3.898 1.00 1.00 H new ATOM 0 HD22 ASN A 9 12.182 -5.786 -4.443 1.00 1.00 H new ATOM 151 N THR A 10 10.216 -2.060 -2.427 1.00 1.00 N ATOM 152 CA THR A 10 10.863 -0.767 -2.279 1.00 1.00 C ATOM 153 C THR A 10 9.872 0.267 -1.744 1.00 1.00 C ATOM 154 O THR A 10 10.274 1.283 -1.178 1.00 1.00 O ATOM 155 CB THR A 10 11.472 -0.386 -3.631 1.00 1.00 C ATOM 156 OG1 THR A 10 10.362 -0.391 -4.524 1.00 1.00 O ATOM 157 CG2 THR A 10 12.399 -1.469 -4.182 1.00 1.00 C ATOM 0 H THR A 10 9.868 -2.258 -3.365 1.00 1.00 H new ATOM 0 HA THR A 10 11.667 -0.808 -1.545 1.00 1.00 H new ATOM 0 HB THR A 10 12.026 0.547 -3.530 1.00 1.00 H new ATOM 0 HG1 THR A 10 10.252 -1.288 -4.904 1.00 1.00 H new ATOM 0 HG21 THR A 10 12.804 -1.148 -5.142 1.00 1.00 H new ATOM 0 HG22 THR A 10 13.217 -1.638 -3.482 1.00 1.00 H new ATOM 0 HG23 THR A 10 11.838 -2.394 -4.316 1.00 1.00 H new ATOM 165 N GLY A 11 8.595 -0.026 -1.943 1.00 1.00 N ATOM 166 CA GLY A 11 7.560 0.977 -1.759 1.00 1.00 C ATOM 167 C GLY A 11 7.886 2.252 -2.538 1.00 1.00 C ATOM 168 O GLY A 11 7.672 3.358 -2.045 1.00 1.00 O ATOM 0 H GLY A 11 8.254 -0.943 -2.230 1.00 1.00 H new ATOM 0 HA2 GLY A 11 6.601 0.580 -2.091 1.00 1.00 H new ATOM 0 HA3 GLY A 11 7.459 1.210 -0.699 1.00 1.00 H new ATOM 172 N CYS A 12 8.401 2.056 -3.744 1.00 1.00 N ATOM 173 CA CYS A 12 8.702 3.174 -4.621 1.00 1.00 C ATOM 174 C CYS A 12 7.496 3.405 -5.534 1.00 1.00 C ATOM 175 O CYS A 12 6.695 2.498 -5.752 1.00 1.00 O ATOM 176 CB CYS A 12 9.986 2.938 -5.419 1.00 1.00 C ATOM 177 SG CYS A 12 11.373 4.049 -4.986 1.00 1.00 S ATOM 0 H CYS A 12 8.617 1.139 -4.134 1.00 1.00 H new ATOM 0 HA CYS A 12 8.883 4.069 -4.025 1.00 1.00 H new ATOM 0 HB2 CYS A 12 10.305 1.906 -5.270 1.00 1.00 H new ATOM 0 HB3 CYS A 12 9.764 3.053 -6.480 1.00 1.00 H new ATOM 182 N LYS A 13 7.405 4.625 -6.044 1.00 1.00 N ATOM 183 CA LYS A 13 6.192 5.071 -6.707 1.00 1.00 C ATOM 184 C LYS A 13 5.887 4.142 -7.883 1.00 1.00 C ATOM 185 O LYS A 13 6.770 3.836 -8.682 1.00 1.00 O ATOM 186 CB LYS A 13 6.308 6.545 -7.101 1.00 1.00 C ATOM 187 CG LYS A 13 4.976 7.075 -7.637 1.00 1.00 C ATOM 188 CD LYS A 13 5.096 8.544 -8.046 1.00 1.00 C ATOM 189 CE LYS A 13 3.733 9.116 -8.442 1.00 1.00 C ATOM 190 NZ LYS A 13 3.185 8.386 -9.608 1.00 1.00 N ATOM 0 H LYS A 13 8.152 5.318 -6.011 1.00 1.00 H new ATOM 0 HA LYS A 13 5.343 5.013 -6.026 1.00 1.00 H new ATOM 0 HB2 LYS A 13 6.616 7.133 -6.237 1.00 1.00 H new ATOM 0 HB3 LYS A 13 7.082 6.663 -7.859 1.00 1.00 H new ATOM 0 HG2 LYS A 13 4.662 6.480 -8.494 1.00 1.00 H new ATOM 0 HG3 LYS A 13 4.204 6.968 -6.875 1.00 1.00 H new ATOM 0 HD2 LYS A 13 5.511 9.122 -7.221 1.00 1.00 H new ATOM 0 HD3 LYS A 13 5.790 8.637 -8.881 1.00 1.00 H new ATOM 0 HE2 LYS A 13 3.043 9.042 -7.602 1.00 1.00 H new ATOM 0 HE3 LYS A 13 3.832 10.175 -8.682 1.00 1.00 H new ATOM 0 HZ1 LYS A 13 2.369 8.905 -9.991 1.00 1.00 H new ATOM 0 HZ2 LYS A 13 3.918 8.303 -10.341 1.00 1.00 H new ATOM 0 HZ3 LYS A 13 2.883 7.436 -9.312 1.00 1.00 H new ATOM 204 N TYR A 14 4.633 3.718 -7.951 1.00 1.00 N ATOM 205 CA TYR A 14 4.219 2.766 -8.968 1.00 1.00 C ATOM 206 C TYR A 14 3.026 3.297 -9.763 1.00 1.00 C ATOM 207 O TYR A 14 2.002 3.659 -9.185 1.00 1.00 O ATOM 208 CB TYR A 14 3.794 1.504 -8.215 1.00 1.00 C ATOM 209 CG TYR A 14 4.329 0.206 -8.825 1.00 1.00 C ATOM 210 CD1 TYR A 14 3.601 -0.451 -9.797 1.00 1.00 C ATOM 211 CD2 TYR A 14 5.539 -0.307 -8.404 1.00 1.00 C ATOM 212 CE1 TYR A 14 4.103 -1.671 -10.371 1.00 1.00 C ATOM 213 CE2 TYR A 14 6.041 -1.529 -8.978 1.00 1.00 C ATOM 214 CZ TYR A 14 5.299 -2.150 -9.934 1.00 1.00 C ATOM 215 OH TYR A 14 5.773 -3.304 -10.476 1.00 1.00 O ATOM 0 H TYR A 14 3.891 4.016 -7.318 1.00 1.00 H new ATOM 0 HA TYR A 14 5.030 2.580 -9.672 1.00 1.00 H new ATOM 0 HB2 TYR A 14 4.136 1.577 -7.183 1.00 1.00 H new ATOM 0 HB3 TYR A 14 2.705 1.459 -8.187 1.00 1.00 H new ATOM 0 HD1 TYR A 14 2.654 -0.049 -10.127 1.00 1.00 H new ATOM 0 HD2 TYR A 14 6.109 0.207 -7.645 1.00 1.00 H new ATOM 0 HE1 TYR A 14 3.543 -2.195 -11.132 1.00 1.00 H new ATOM 0 HE2 TYR A 14 6.985 -1.943 -8.657 1.00 1.00 H new ATOM 0 HH TYR A 14 5.031 -3.810 -10.869 1.00 1.00 H new ATOM 225 N GLU A 15 3.196 3.328 -11.077 1.00 1.00 N ATOM 226 CA GLU A 15 2.407 4.214 -11.914 1.00 1.00 C ATOM 227 C GLU A 15 2.318 3.662 -13.338 1.00 1.00 C ATOM 228 O GLU A 15 2.988 2.685 -13.671 1.00 1.00 O ATOM 229 CB GLU A 15 2.985 5.631 -11.910 1.00 1.00 C ATOM 230 CG GLU A 15 4.414 5.641 -12.456 1.00 1.00 C ATOM 231 CD GLU A 15 5.005 7.052 -12.418 1.00 1.00 C ATOM 232 OE1 GLU A 15 5.164 7.570 -11.291 1.00 1.00 O ATOM 233 OE2 GLU A 15 5.285 7.579 -13.515 1.00 1.00 O ATOM 0 H GLU A 15 3.870 2.753 -11.582 1.00 1.00 H new ATOM 0 HA GLU A 15 1.399 4.267 -11.503 1.00 1.00 H new ATOM 0 HB2 GLU A 15 2.357 6.286 -12.514 1.00 1.00 H new ATOM 0 HB3 GLU A 15 2.977 6.028 -10.895 1.00 1.00 H new ATOM 0 HG2 GLU A 15 5.036 4.966 -11.868 1.00 1.00 H new ATOM 0 HG3 GLU A 15 4.419 5.268 -13.480 1.00 1.00 H new ATOM 240 N CYS A 16 1.487 4.311 -14.140 1.00 1.00 N ATOM 241 CA CYS A 16 1.114 3.762 -15.433 1.00 1.00 C ATOM 242 C CYS A 16 2.221 4.098 -16.434 1.00 1.00 C ATOM 243 O CYS A 16 2.662 3.235 -17.191 1.00 1.00 O ATOM 244 CB CYS A 16 -0.249 4.279 -15.895 1.00 1.00 C ATOM 245 SG CYS A 16 -1.148 3.163 -17.033 1.00 1.00 S ATOM 0 H CYS A 16 1.061 5.211 -13.920 1.00 1.00 H new ATOM 0 HA CYS A 16 1.011 2.680 -15.356 1.00 1.00 H new ATOM 0 HB2 CYS A 16 -0.871 4.458 -15.018 1.00 1.00 H new ATOM 0 HB3 CYS A 16 -0.109 5.241 -16.388 1.00 1.00 H new ATOM 250 N LEU A 17 2.638 5.356 -16.407 1.00 1.00 N ATOM 251 CA LEU A 17 3.021 6.044 -17.628 1.00 1.00 C ATOM 252 C LEU A 17 1.833 6.066 -18.590 1.00 1.00 C ATOM 253 O LEU A 17 1.306 5.016 -18.955 1.00 1.00 O ATOM 254 CB LEU A 17 4.284 5.417 -18.223 1.00 1.00 C ATOM 255 CG LEU A 17 5.438 5.179 -17.248 1.00 1.00 C ATOM 256 CD1 LEU A 17 6.567 4.391 -17.917 1.00 1.00 C ATOM 257 CD2 LEU A 17 5.934 6.497 -16.652 1.00 1.00 C ATOM 0 H LEU A 17 2.719 5.916 -15.559 1.00 1.00 H new ATOM 0 HA LEU A 17 3.278 7.082 -17.416 1.00 1.00 H new ATOM 0 HB2 LEU A 17 4.014 4.463 -18.675 1.00 1.00 H new ATOM 0 HB3 LEU A 17 4.641 6.061 -19.027 1.00 1.00 H new ATOM 0 HG LEU A 17 5.067 4.572 -16.422 1.00 1.00 H new ATOM 0 HD11 LEU A 17 7.375 4.235 -17.202 1.00 1.00 H new ATOM 0 HD12 LEU A 17 6.188 3.426 -18.252 1.00 1.00 H new ATOM 0 HD13 LEU A 17 6.943 4.950 -18.774 1.00 1.00 H new ATOM 0 HD21 LEU A 17 6.754 6.299 -15.962 1.00 1.00 H new ATOM 0 HD22 LEU A 17 6.282 7.150 -17.452 1.00 1.00 H new ATOM 0 HD23 LEU A 17 5.119 6.983 -16.116 1.00 1.00 H new ATOM 269 N LYS A 18 1.445 7.274 -18.975 1.00 1.00 N ATOM 270 CA LYS A 18 0.270 7.452 -19.810 1.00 1.00 C ATOM 271 C LYS A 18 -0.977 7.039 -19.025 1.00 1.00 C ATOM 272 O LYS A 18 -1.262 5.851 -18.888 1.00 1.00 O ATOM 273 CB LYS A 18 0.437 6.706 -21.135 1.00 1.00 C ATOM 274 CG LYS A 18 -0.645 7.116 -22.136 1.00 1.00 C ATOM 275 CD LYS A 18 -1.468 5.906 -22.581 1.00 1.00 C ATOM 276 CE LYS A 18 -2.638 6.335 -23.469 1.00 1.00 C ATOM 277 NZ LYS A 18 -3.820 6.670 -22.643 1.00 1.00 N ATOM 0 H LYS A 18 1.924 8.139 -18.724 1.00 1.00 H new ATOM 0 HA LYS A 18 0.147 8.502 -20.075 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.422 6.915 -21.553 1.00 1.00 H new ATOM 0 HB3 LYS A 18 0.387 5.631 -20.960 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -1.301 7.860 -21.683 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -0.183 7.585 -23.005 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.831 5.208 -23.125 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -1.846 5.377 -21.706 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -2.350 7.198 -24.069 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -2.888 5.533 -24.164 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -4.395 7.384 -23.134 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -4.389 5.814 -22.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -3.507 7.048 -21.726 1.00 1.00 H new ATOM 291 N LEU A 19 -1.685 8.044 -18.531 1.00 1.00 N ATOM 292 CA LEU A 19 -2.942 7.806 -17.843 1.00 1.00 C ATOM 293 C LEU A 19 -3.954 7.215 -18.826 1.00 1.00 C ATOM 294 O LEU A 19 -3.730 7.230 -20.036 1.00 1.00 O ATOM 295 CB LEU A 19 -3.427 9.083 -17.155 1.00 1.00 C ATOM 296 CG LEU A 19 -3.863 10.221 -18.081 1.00 1.00 C ATOM 297 CD1 LEU A 19 -5.348 10.535 -17.902 1.00 1.00 C ATOM 298 CD2 LEU A 19 -2.986 11.459 -17.881 1.00 1.00 C ATOM 0 H LEU A 19 -1.412 9.025 -18.594 1.00 1.00 H new ATOM 0 HA LEU A 19 -2.807 7.074 -17.047 1.00 1.00 H new ATOM 0 HB2 LEU A 19 -4.266 8.827 -16.507 1.00 1.00 H new ATOM 0 HB3 LEU A 19 -2.628 9.451 -16.511 1.00 1.00 H new ATOM 0 HG LEU A 19 -3.726 9.894 -19.112 1.00 1.00 H new ATOM 0 HD11 LEU A 19 -5.631 11.347 -18.572 1.00 1.00 H new ATOM 0 HD12 LEU A 19 -5.938 9.649 -18.136 1.00 1.00 H new ATOM 0 HD13 LEU A 19 -5.535 10.833 -16.870 1.00 1.00 H new ATOM 0 HD21 LEU A 19 -3.318 12.252 -18.551 1.00 1.00 H new ATOM 0 HD22 LEU A 19 -3.067 11.799 -16.849 1.00 1.00 H new ATOM 0 HD23 LEU A 19 -1.948 11.209 -18.101 1.00 1.00 H new ATOM 310 N GLY A 20 -5.045 6.709 -18.272 1.00 1.00 N ATOM 311 CA GLY A 20 -6.155 6.247 -19.088 1.00 1.00 C ATOM 312 C GLY A 20 -6.152 4.721 -19.202 1.00 1.00 C ATOM 313 O GLY A 20 -7.128 4.067 -18.836 1.00 1.00 O ATOM 0 H GLY A 20 -5.185 6.608 -17.267 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -7.096 6.581 -18.651 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -6.090 6.690 -20.082 1.00 1.00 H new ATOM 317 N ASP A 21 -5.047 4.199 -19.711 1.00 1.00 N ATOM 318 CA ASP A 21 -5.010 2.819 -20.165 1.00 1.00 C ATOM 319 C ASP A 21 -4.991 1.887 -18.952 1.00 1.00 C ATOM 320 O ASP A 21 -3.928 1.594 -18.406 1.00 1.00 O ATOM 321 CB ASP A 21 -3.753 2.545 -20.992 1.00 1.00 C ATOM 322 CG ASP A 21 -3.679 3.292 -22.325 1.00 1.00 C ATOM 323 OD1 ASP A 21 -4.588 4.115 -22.565 1.00 1.00 O ATOM 324 OD2 ASP A 21 -2.714 3.023 -23.073 1.00 1.00 O ATOM 0 H ASP A 21 -4.169 4.707 -19.819 1.00 1.00 H new ATOM 0 HA ASP A 21 -5.892 2.643 -20.781 1.00 1.00 H new ATOM 0 HB2 ASP A 21 -2.880 2.809 -20.396 1.00 1.00 H new ATOM 0 HB3 ASP A 21 -3.692 1.475 -21.189 1.00 1.00 H new ATOM 329 N ASN A 22 -6.180 1.449 -18.563 1.00 1.00 N ATOM 330 CA ASN A 22 -6.330 0.671 -17.345 1.00 1.00 C ATOM 331 C ASN A 22 -6.037 -0.800 -17.646 1.00 1.00 C ATOM 332 O ASN A 22 -6.828 -1.676 -17.301 1.00 1.00 O ATOM 333 CB ASN A 22 -7.757 0.768 -16.802 1.00 1.00 C ATOM 334 CG ASN A 22 -8.781 0.443 -17.891 1.00 1.00 C ATOM 335 OD1 ASN A 22 -9.143 1.274 -18.706 1.00 1.00 O ATOM 336 ND2 ASN A 22 -9.227 -0.810 -17.857 1.00 1.00 N ATOM 0 H ASN A 22 -7.049 1.618 -19.070 1.00 1.00 H new ATOM 0 HA ASN A 22 -5.635 1.066 -16.604 1.00 1.00 H new ATOM 0 HB2 ASN A 22 -7.879 0.080 -15.966 1.00 1.00 H new ATOM 0 HB3 ASN A 22 -7.936 1.772 -16.417 1.00 1.00 H new ATOM 0 HD21 ASN A 22 -9.914 -1.125 -18.541 1.00 1.00 H new ATOM 0 HD22 ASN A 22 -8.881 -1.455 -17.147 1.00 1.00 H new ATOM 343 N ASP A 23 -4.898 -1.025 -18.286 1.00 1.00 N ATOM 344 CA ASP A 23 -4.536 -2.364 -18.720 1.00 1.00 C ATOM 345 C ASP A 23 -3.422 -2.902 -17.820 1.00 1.00 C ATOM 346 O ASP A 23 -3.569 -3.960 -17.210 1.00 1.00 O ATOM 347 CB ASP A 23 -4.018 -2.354 -20.159 1.00 1.00 C ATOM 348 CG ASP A 23 -3.669 -3.731 -20.730 1.00 1.00 C ATOM 349 OD1 ASP A 23 -4.625 -4.469 -21.057 1.00 1.00 O ATOM 350 OD2 ASP A 23 -2.457 -4.016 -20.824 1.00 1.00 O ATOM 0 H ASP A 23 -4.215 -0.303 -18.514 1.00 1.00 H new ATOM 0 HA ASP A 23 -5.426 -2.991 -18.661 1.00 1.00 H new ATOM 0 HB2 ASP A 23 -4.772 -1.893 -20.797 1.00 1.00 H new ATOM 0 HB3 ASP A 23 -3.131 -1.722 -20.206 1.00 1.00 H new ATOM 355 N TYR A 24 -2.334 -2.150 -17.765 1.00 1.00 N ATOM 356 CA TYR A 24 -1.191 -2.542 -16.959 1.00 1.00 C ATOM 357 C TYR A 24 -1.471 -2.327 -15.470 1.00 1.00 C ATOM 358 O TYR A 24 -0.955 -3.058 -14.625 1.00 1.00 O ATOM 359 CB TYR A 24 -0.038 -1.632 -17.386 1.00 1.00 C ATOM 360 CG TYR A 24 0.258 -1.666 -18.886 1.00 1.00 C ATOM 361 CD1 TYR A 24 0.755 -2.816 -19.466 1.00 1.00 C ATOM 362 CD2 TYR A 24 0.028 -0.547 -19.661 1.00 1.00 C ATOM 363 CE1 TYR A 24 1.034 -2.848 -20.878 1.00 1.00 C ATOM 364 CE2 TYR A 24 0.307 -0.579 -21.073 1.00 1.00 C ATOM 365 CZ TYR A 24 0.796 -1.728 -21.612 1.00 1.00 C ATOM 366 OH TYR A 24 1.060 -1.759 -22.946 1.00 1.00 O ATOM 0 H TYR A 24 -2.219 -1.269 -18.267 1.00 1.00 H new ATOM 0 HA TYR A 24 -0.964 -3.598 -17.105 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.270 -0.608 -17.095 1.00 1.00 H new ATOM 0 HB3 TYR A 24 0.861 -1.922 -16.842 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.935 -3.692 -18.860 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -0.361 0.353 -19.208 1.00 1.00 H new ATOM 0 HE1 TYR A 24 1.423 -3.741 -21.344 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.132 0.290 -21.690 1.00 1.00 H new ATOM 0 HH TYR A 24 0.841 -0.890 -23.343 1.00 1.00 H new ATOM 376 N CYS A 25 -2.288 -1.321 -15.194 1.00 1.00 N ATOM 377 CA CYS A 25 -2.730 -1.068 -13.833 1.00 1.00 C ATOM 378 C CYS A 25 -3.471 -2.308 -13.331 1.00 1.00 C ATOM 379 O CYS A 25 -3.246 -2.760 -12.208 1.00 1.00 O ATOM 380 CB CYS A 25 -3.595 0.190 -13.744 1.00 1.00 C ATOM 381 SG CYS A 25 -2.733 1.747 -14.169 1.00 1.00 S ATOM 0 H CYS A 25 -2.655 -0.672 -15.890 1.00 1.00 H new ATOM 0 HA CYS A 25 -1.866 -0.880 -13.196 1.00 1.00 H new ATOM 0 HB2 CYS A 25 -4.451 0.073 -14.408 1.00 1.00 H new ATOM 0 HB3 CYS A 25 -3.987 0.273 -12.730 1.00 1.00 H new ATOM 386 N LEU A 26 -4.342 -2.825 -14.185 1.00 1.00 N ATOM 387 CA LEU A 26 -5.131 -3.994 -13.836 1.00 1.00 C ATOM 388 C LEU A 26 -4.195 -5.177 -13.578 1.00 1.00 C ATOM 389 O LEU A 26 -4.334 -5.875 -12.576 1.00 1.00 O ATOM 390 CB LEU A 26 -6.186 -4.267 -14.909 1.00 1.00 C ATOM 391 CG LEU A 26 -7.615 -4.485 -14.405 1.00 1.00 C ATOM 392 CD1 LEU A 26 -8.616 -4.451 -15.561 1.00 1.00 C ATOM 393 CD2 LEU A 26 -7.719 -5.778 -13.594 1.00 1.00 C ATOM 0 H LEU A 26 -4.519 -2.455 -15.119 1.00 1.00 H new ATOM 0 HA LEU A 26 -5.685 -3.819 -12.914 1.00 1.00 H new ATOM 0 HB2 LEU A 26 -6.192 -3.429 -15.606 1.00 1.00 H new ATOM 0 HB3 LEU A 26 -5.882 -5.149 -15.473 1.00 1.00 H new ATOM 0 HG LEU A 26 -7.870 -3.664 -13.735 1.00 1.00 H new ATOM 0 HD11 LEU A 26 -9.623 -4.608 -15.175 1.00 1.00 H new ATOM 0 HD12 LEU A 26 -8.565 -3.482 -16.058 1.00 1.00 H new ATOM 0 HD13 LEU A 26 -8.374 -5.238 -16.275 1.00 1.00 H new ATOM 0 HD21 LEU A 26 -8.744 -5.909 -13.248 1.00 1.00 H new ATOM 0 HD22 LEU A 26 -7.437 -6.624 -14.220 1.00 1.00 H new ATOM 0 HD23 LEU A 26 -7.050 -5.724 -12.735 1.00 1.00 H new ATOM 405 N ARG A 27 -3.263 -5.365 -14.501 1.00 1.00 N ATOM 406 CA ARG A 27 -2.362 -6.502 -14.433 1.00 1.00 C ATOM 407 C ARG A 27 -1.582 -6.483 -13.116 1.00 1.00 C ATOM 408 O ARG A 27 -1.546 -7.480 -12.397 1.00 1.00 O ATOM 409 CB ARG A 27 -1.375 -6.494 -15.602 1.00 1.00 C ATOM 410 CG ARG A 27 -1.922 -7.295 -16.785 1.00 1.00 C ATOM 411 CD ARG A 27 -1.382 -6.752 -18.111 1.00 1.00 C ATOM 412 NE ARG A 27 -2.162 -7.305 -19.239 1.00 1.00 N ATOM 413 CZ ARG A 27 -3.278 -6.747 -19.728 1.00 1.00 C ATOM 414 NH1 ARG A 27 -3.995 -5.908 -18.967 1.00 1.00 N ATOM 415 NH2 ARG A 27 -3.677 -7.026 -20.977 1.00 1.00 N ATOM 0 H ARG A 27 -3.113 -4.749 -15.300 1.00 1.00 H new ATOM 0 HA ARG A 27 -2.966 -7.407 -14.489 1.00 1.00 H new ATOM 0 HB2 ARG A 27 -1.181 -5.467 -15.912 1.00 1.00 H new ATOM 0 HB3 ARG A 27 -0.422 -6.916 -15.282 1.00 1.00 H new ATOM 0 HG2 ARG A 27 -1.645 -8.344 -16.678 1.00 1.00 H new ATOM 0 HG3 ARG A 27 -3.011 -7.251 -16.786 1.00 1.00 H new ATOM 0 HD2 ARG A 27 -1.439 -5.664 -18.118 1.00 1.00 H new ATOM 0 HD3 ARG A 27 -0.330 -7.017 -18.221 1.00 1.00 H new ATOM 0 HE ARG A 27 -1.829 -8.166 -19.673 1.00 1.00 H new ATOM 0 HH11 ARG A 27 -3.691 -5.695 -18.017 1.00 1.00 H new ATOM 0 HH12 ARG A 27 -4.845 -5.483 -19.338 1.00 1.00 H new ATOM 0 HH21 ARG A 27 -3.131 -7.664 -21.556 1.00 1.00 H new ATOM 0 HH22 ARG A 27 -4.527 -6.601 -21.348 1.00 1.00 H new ATOM 429 N GLU A 28 -0.976 -5.338 -12.841 1.00 1.00 N ATOM 430 CA GLU A 28 -0.093 -5.215 -11.693 1.00 1.00 C ATOM 431 C GLU A 28 -0.891 -5.344 -10.394 1.00 1.00 C ATOM 432 O GLU A 28 -0.438 -5.982 -9.445 1.00 1.00 O ATOM 433 CB GLU A 28 0.677 -3.893 -11.734 1.00 1.00 C ATOM 434 CG GLU A 28 1.727 -3.905 -12.846 1.00 1.00 C ATOM 435 CD GLU A 28 2.836 -4.915 -12.543 1.00 1.00 C ATOM 436 OE1 GLU A 28 3.579 -4.667 -11.569 1.00 1.00 O ATOM 437 OE2 GLU A 28 2.916 -5.913 -13.293 1.00 1.00 O ATOM 0 H GLU A 28 -1.079 -4.487 -13.393 1.00 1.00 H new ATOM 0 HA GLU A 28 0.636 -6.024 -11.731 1.00 1.00 H new ATOM 0 HB2 GLU A 28 -0.018 -3.068 -11.894 1.00 1.00 H new ATOM 0 HB3 GLU A 28 1.162 -3.720 -10.773 1.00 1.00 H new ATOM 0 HG2 GLU A 28 1.253 -4.154 -13.796 1.00 1.00 H new ATOM 0 HG3 GLU A 28 2.157 -2.909 -12.956 1.00 1.00 H new ATOM 444 N CYS A 29 -2.065 -4.729 -10.393 1.00 1.00 N ATOM 445 CA CYS A 29 -2.985 -4.873 -9.279 1.00 1.00 C ATOM 446 C CYS A 29 -3.265 -6.364 -9.077 1.00 1.00 C ATOM 447 O CYS A 29 -3.296 -6.846 -7.945 1.00 1.00 O ATOM 448 CB CYS A 29 -4.272 -4.076 -9.500 1.00 1.00 C ATOM 449 SG CYS A 29 -4.269 -2.397 -8.773 1.00 1.00 S ATOM 0 H CYS A 29 -2.400 -4.129 -11.147 1.00 1.00 H new ATOM 0 HA CYS A 29 -2.533 -4.463 -8.376 1.00 1.00 H new ATOM 0 HB2 CYS A 29 -4.451 -3.992 -10.572 1.00 1.00 H new ATOM 0 HB3 CYS A 29 -5.107 -4.637 -9.080 1.00 1.00 H new ATOM 454 N LYS A 30 -3.462 -7.053 -10.192 1.00 1.00 N ATOM 455 CA LYS A 30 -3.893 -8.439 -10.148 1.00 1.00 C ATOM 456 C LYS A 30 -2.788 -9.294 -9.524 1.00 1.00 C ATOM 457 O LYS A 30 -3.024 -10.004 -8.548 1.00 1.00 O ATOM 458 CB LYS A 30 -4.324 -8.910 -11.539 1.00 1.00 C ATOM 459 CG LYS A 30 -5.229 -10.142 -11.445 1.00 1.00 C ATOM 460 CD LYS A 30 -6.662 -9.742 -11.091 1.00 1.00 C ATOM 461 CE LYS A 30 -7.433 -9.303 -12.337 1.00 1.00 C ATOM 462 NZ LYS A 30 -8.698 -8.634 -11.957 1.00 1.00 N ATOM 0 H LYS A 30 -3.331 -6.677 -11.131 1.00 1.00 H new ATOM 0 HA LYS A 30 -4.773 -8.544 -9.514 1.00 1.00 H new ATOM 0 HB2 LYS A 30 -4.851 -8.106 -12.052 1.00 1.00 H new ATOM 0 HB3 LYS A 30 -3.443 -9.146 -12.136 1.00 1.00 H new ATOM 0 HG2 LYS A 30 -5.221 -10.677 -12.394 1.00 1.00 H new ATOM 0 HG3 LYS A 30 -4.841 -10.826 -10.690 1.00 1.00 H new ATOM 0 HD2 LYS A 30 -7.172 -10.583 -10.621 1.00 1.00 H new ATOM 0 HD3 LYS A 30 -6.648 -8.931 -10.363 1.00 1.00 H new ATOM 0 HE2 LYS A 30 -6.820 -8.624 -12.930 1.00 1.00 H new ATOM 0 HE3 LYS A 30 -7.647 -10.169 -12.963 1.00 1.00 H new ATOM 0 HZ1 LYS A 30 -9.278 -8.480 -12.806 1.00 1.00 H new ATOM 0 HZ2 LYS A 30 -9.220 -9.233 -11.286 1.00 1.00 H new ATOM 0 HZ3 LYS A 30 -8.486 -7.718 -11.511 1.00 1.00 H new ATOM 476 N GLN A 31 -1.605 -9.196 -10.113 1.00 1.00 N ATOM 477 CA GLN A 31 -0.490 -10.028 -9.694 1.00 1.00 C ATOM 478 C GLN A 31 0.432 -9.248 -8.757 1.00 1.00 C ATOM 479 O GLN A 31 1.650 -9.256 -8.928 1.00 1.00 O ATOM 480 CB GLN A 31 0.281 -10.560 -10.904 1.00 1.00 C ATOM 481 CG GLN A 31 -0.638 -11.350 -11.837 1.00 1.00 C ATOM 482 CD GLN A 31 0.151 -11.960 -12.998 1.00 1.00 C ATOM 483 OE1 GLN A 31 1.371 -11.942 -13.030 1.00 1.00 O ATOM 484 NE2 GLN A 31 -0.611 -12.498 -13.947 1.00 1.00 N ATOM 0 H GLN A 31 -1.395 -8.553 -10.877 1.00 1.00 H new ATOM 0 HA GLN A 31 -0.886 -10.886 -9.150 1.00 1.00 H new ATOM 0 HB2 GLN A 31 0.729 -9.729 -11.448 1.00 1.00 H new ATOM 0 HB3 GLN A 31 1.098 -11.198 -10.567 1.00 1.00 H new ATOM 0 HG2 GLN A 31 -1.138 -12.141 -11.277 1.00 1.00 H new ATOM 0 HG3 GLN A 31 -1.417 -10.694 -12.227 1.00 1.00 H new ATOM 0 HE21 GLN A 31 -1.627 -12.479 -13.857 1.00 1.00 H new ATOM 0 HE22 GLN A 31 -0.179 -12.930 -14.764 1.00 1.00 H new ATOM 493 N GLN A 32 -0.184 -8.592 -7.784 1.00 1.00 N ATOM 494 CA GLN A 32 0.556 -8.069 -6.647 1.00 1.00 C ATOM 495 C GLN A 32 -0.407 -7.637 -5.540 1.00 1.00 C ATOM 496 O GLN A 32 -0.044 -7.629 -4.365 1.00 1.00 O ATOM 497 CB GLN A 32 1.462 -6.911 -7.069 1.00 1.00 C ATOM 498 CG GLN A 32 0.830 -5.564 -6.715 1.00 1.00 C ATOM 499 CD GLN A 32 1.196 -5.144 -5.290 1.00 1.00 C ATOM 500 OE1 GLN A 32 1.837 -5.869 -4.547 1.00 1.00 O ATOM 501 NE2 GLN A 32 0.753 -3.936 -4.951 1.00 1.00 N ATOM 0 H GLN A 32 -1.187 -8.411 -7.759 1.00 1.00 H new ATOM 0 HA GLN A 32 1.194 -8.862 -6.257 1.00 1.00 H new ATOM 0 HB2 GLN A 32 2.430 -7.003 -6.576 1.00 1.00 H new ATOM 0 HB3 GLN A 32 1.645 -6.960 -8.142 1.00 1.00 H new ATOM 0 HG2 GLN A 32 1.167 -4.804 -7.420 1.00 1.00 H new ATOM 0 HG3 GLN A 32 -0.254 -5.630 -6.811 1.00 1.00 H new ATOM 0 HE21 GLN A 32 0.222 -3.381 -5.622 1.00 1.00 H new ATOM 0 HE22 GLN A 32 0.945 -3.565 -4.020 1.00 1.00 H new ATOM 510 N TYR A 33 -1.617 -7.290 -5.954 1.00 1.00 N ATOM 511 CA TYR A 33 -2.763 -7.368 -5.065 1.00 1.00 C ATOM 512 C TYR A 33 -3.853 -8.265 -5.654 1.00 1.00 C ATOM 513 O TYR A 33 -4.933 -7.789 -6.002 1.00 1.00 O ATOM 514 CB TYR A 33 -3.303 -5.941 -4.947 1.00 1.00 C ATOM 515 CG TYR A 33 -2.785 -5.178 -3.726 1.00 1.00 C ATOM 516 CD1 TYR A 33 -2.837 -5.761 -2.476 1.00 1.00 C ATOM 517 CD2 TYR A 33 -2.266 -3.908 -3.874 1.00 1.00 C ATOM 518 CE1 TYR A 33 -2.349 -5.044 -1.326 1.00 1.00 C ATOM 519 CE2 TYR A 33 -1.779 -3.191 -2.725 1.00 1.00 C ATOM 520 CZ TYR A 33 -1.844 -3.795 -1.507 1.00 1.00 C ATOM 521 OH TYR A 33 -1.384 -3.117 -0.422 1.00 1.00 O ATOM 0 H TYR A 33 -1.828 -6.954 -6.894 1.00 1.00 H new ATOM 0 HA TYR A 33 -2.473 -7.787 -4.101 1.00 1.00 H new ATOM 0 HB2 TYR A 33 -3.038 -5.388 -5.848 1.00 1.00 H new ATOM 0 HB3 TYR A 33 -4.392 -5.978 -4.905 1.00 1.00 H new ATOM 0 HD1 TYR A 33 -3.244 -6.755 -2.360 1.00 1.00 H new ATOM 0 HD2 TYR A 33 -2.225 -3.452 -4.852 1.00 1.00 H new ATOM 0 HE1 TYR A 33 -2.384 -5.489 -0.342 1.00 1.00 H new ATOM 0 HE2 TYR A 33 -1.371 -2.196 -2.827 1.00 1.00 H new ATOM 0 HH TYR A 33 -1.429 -2.153 -0.595 1.00 1.00 H new ATOM 531 N GLY A 34 -3.533 -9.547 -5.747 1.00 1.00 N ATOM 532 CA GLY A 34 -4.532 -10.585 -5.556 1.00 1.00 C ATOM 533 C GLY A 34 -5.196 -10.960 -6.883 1.00 1.00 C ATOM 534 O GLY A 34 -5.478 -10.091 -7.707 1.00 1.00 O ATOM 0 H GLY A 34 -2.595 -9.891 -5.952 1.00 1.00 H new ATOM 0 HA2 GLY A 34 -4.066 -11.467 -5.117 1.00 1.00 H new ATOM 0 HA3 GLY A 34 -5.289 -10.241 -4.851 1.00 1.00 H new ATOM 538 N LYS A 35 -5.425 -12.254 -7.047 1.00 1.00 N ATOM 539 CA LYS A 35 -6.071 -12.752 -8.250 1.00 1.00 C ATOM 540 C LYS A 35 -7.562 -12.412 -8.201 1.00 1.00 C ATOM 541 O LYS A 35 -8.404 -13.307 -8.135 1.00 1.00 O ATOM 542 CB LYS A 35 -5.786 -14.244 -8.432 1.00 1.00 C ATOM 543 CG LYS A 35 -4.313 -14.483 -8.771 1.00 1.00 C ATOM 544 CD LYS A 35 -4.061 -14.311 -10.270 1.00 1.00 C ATOM 545 CE LYS A 35 -3.888 -15.668 -10.956 1.00 1.00 C ATOM 546 NZ LYS A 35 -5.154 -16.433 -10.918 1.00 1.00 N ATOM 0 H LYS A 35 -5.175 -12.973 -6.368 1.00 1.00 H new ATOM 0 HA LYS A 35 -5.661 -12.263 -9.133 1.00 1.00 H new ATOM 0 HB2 LYS A 35 -6.045 -14.781 -7.520 1.00 1.00 H new ATOM 0 HB3 LYS A 35 -6.415 -14.644 -9.227 1.00 1.00 H new ATOM 0 HG2 LYS A 35 -3.690 -13.786 -8.211 1.00 1.00 H new ATOM 0 HG3 LYS A 35 -4.023 -15.488 -8.463 1.00 1.00 H new ATOM 0 HD2 LYS A 35 -4.894 -13.774 -10.723 1.00 1.00 H new ATOM 0 HD3 LYS A 35 -3.169 -13.705 -10.425 1.00 1.00 H new ATOM 0 HE2 LYS A 35 -3.575 -15.522 -11.990 1.00 1.00 H new ATOM 0 HE3 LYS A 35 -3.099 -16.234 -10.461 1.00 1.00 H new ATOM 0 HZ1 LYS A 35 -5.039 -17.321 -11.446 1.00 1.00 H new ATOM 0 HZ2 LYS A 35 -5.401 -16.647 -9.931 1.00 1.00 H new ATOM 0 HZ3 LYS A 35 -5.913 -15.869 -11.351 1.00 1.00 H new ATOM 560 N GLY A 36 -7.843 -11.118 -8.235 1.00 1.00 N ATOM 561 CA GLY A 36 -9.219 -10.651 -8.269 1.00 1.00 C ATOM 562 C GLY A 36 -9.285 -9.166 -8.629 1.00 1.00 C ATOM 563 O GLY A 36 -9.978 -8.782 -9.570 1.00 1.00 O ATOM 0 H GLY A 36 -7.141 -10.378 -8.240 1.00 1.00 H new ATOM 0 HA2 GLY A 36 -9.786 -11.231 -8.997 1.00 1.00 H new ATOM 0 HA3 GLY A 36 -9.686 -10.815 -7.298 1.00 1.00 H new ATOM 567 N ALA A 37 -8.555 -8.371 -7.862 1.00 1.00 N ATOM 568 CA ALA A 37 -8.873 -6.960 -7.728 1.00 1.00 C ATOM 569 C ALA A 37 -8.561 -6.245 -9.045 1.00 1.00 C ATOM 570 O ALA A 37 -8.076 -6.863 -9.991 1.00 1.00 O ATOM 571 CB ALA A 37 -8.100 -6.370 -6.548 1.00 1.00 C ATOM 0 H ALA A 37 -7.743 -8.677 -7.326 1.00 1.00 H new ATOM 0 HA ALA A 37 -9.935 -6.825 -7.521 1.00 1.00 H new ATOM 0 HB1 ALA A 37 -8.340 -5.311 -6.449 1.00 1.00 H new ATOM 0 HB2 ALA A 37 -8.379 -6.892 -5.633 1.00 1.00 H new ATOM 0 HB3 ALA A 37 -7.030 -6.485 -6.720 1.00 1.00 H new ATOM 577 N GLY A 38 -8.853 -4.953 -9.064 1.00 1.00 N ATOM 578 CA GLY A 38 -8.682 -4.163 -10.271 1.00 1.00 C ATOM 579 C GLY A 38 -8.591 -2.672 -9.944 1.00 1.00 C ATOM 580 O GLY A 38 -8.551 -2.291 -8.775 1.00 1.00 O ATOM 0 H GLY A 38 -9.207 -4.433 -8.261 1.00 1.00 H new ATOM 0 HA2 GLY A 38 -7.779 -4.480 -10.792 1.00 1.00 H new ATOM 0 HA3 GLY A 38 -9.519 -4.340 -10.947 1.00 1.00 H new ATOM 584 N GLY A 39 -8.560 -1.868 -10.996 1.00 1.00 N ATOM 585 CA GLY A 39 -7.943 -0.555 -10.919 1.00 1.00 C ATOM 586 C GLY A 39 -7.976 0.149 -12.277 1.00 1.00 C ATOM 587 O GLY A 39 -8.514 -0.388 -13.245 1.00 1.00 O ATOM 0 H GLY A 39 -8.953 -2.101 -11.908 1.00 1.00 H new ATOM 0 HA2 GLY A 39 -8.464 0.052 -10.178 1.00 1.00 H new ATOM 0 HA3 GLY A 39 -6.911 -0.654 -10.582 1.00 1.00 H new ATOM 591 N TYR A 40 -7.397 1.339 -12.305 1.00 1.00 N ATOM 592 CA TYR A 40 -7.218 2.056 -13.556 1.00 1.00 C ATOM 593 C TYR A 40 -6.115 3.108 -13.434 1.00 1.00 C ATOM 594 O TYR A 40 -5.636 3.386 -12.335 1.00 1.00 O ATOM 595 CB TYR A 40 -8.550 2.759 -13.833 1.00 1.00 C ATOM 596 CG TYR A 40 -9.257 3.267 -12.575 1.00 1.00 C ATOM 597 CD1 TYR A 40 -8.745 4.345 -11.882 1.00 1.00 C ATOM 598 CD2 TYR A 40 -10.408 2.648 -12.133 1.00 1.00 C ATOM 599 CE1 TYR A 40 -9.410 4.823 -10.698 1.00 1.00 C ATOM 600 CE2 TYR A 40 -11.074 3.126 -10.950 1.00 1.00 C ATOM 601 CZ TYR A 40 -10.542 4.190 -10.290 1.00 1.00 C ATOM 602 OH TYR A 40 -11.171 4.642 -9.173 1.00 1.00 O ATOM 0 H TYR A 40 -7.045 1.826 -11.481 1.00 1.00 H new ATOM 0 HA TYR A 40 -6.933 1.370 -14.354 1.00 1.00 H new ATOM 0 HB2 TYR A 40 -8.373 3.600 -14.503 1.00 1.00 H new ATOM 0 HB3 TYR A 40 -9.212 2.069 -14.356 1.00 1.00 H new ATOM 0 HD1 TYR A 40 -7.845 4.831 -12.228 1.00 1.00 H new ATOM 0 HD2 TYR A 40 -10.809 1.804 -12.675 1.00 1.00 H new ATOM 0 HE1 TYR A 40 -9.019 5.665 -10.147 1.00 1.00 H new ATOM 0 HE2 TYR A 40 -11.976 2.651 -10.594 1.00 1.00 H new ATOM 0 HH TYR A 40 -10.601 4.487 -8.391 1.00 1.00 H new ATOM 612 N CYS A 41 -5.743 3.665 -14.577 1.00 1.00 N ATOM 613 CA CYS A 41 -4.596 4.556 -14.637 1.00 1.00 C ATOM 614 C CYS A 41 -5.101 5.996 -14.521 1.00 1.00 C ATOM 615 O CYS A 41 -5.658 6.541 -15.471 1.00 1.00 O ATOM 616 CB CYS A 41 -3.778 4.340 -15.912 1.00 1.00 C ATOM 617 SG CYS A 41 -2.851 2.763 -15.971 1.00 1.00 S ATOM 0 H CYS A 41 -6.215 3.517 -15.469 1.00 1.00 H new ATOM 0 HA CYS A 41 -3.920 4.340 -13.809 1.00 1.00 H new ATOM 0 HB2 CYS A 41 -4.450 4.383 -16.769 1.00 1.00 H new ATOM 0 HB3 CYS A 41 -3.073 5.164 -16.018 1.00 1.00 H new ATOM 622 N TYR A 42 -4.887 6.570 -13.345 1.00 1.00 N ATOM 623 CA TYR A 42 -5.069 8.000 -13.167 1.00 1.00 C ATOM 624 C TYR A 42 -3.821 8.770 -13.605 1.00 1.00 C ATOM 625 O TYR A 42 -2.911 8.197 -14.203 1.00 1.00 O ATOM 626 CB TYR A 42 -5.288 8.215 -11.669 1.00 1.00 C ATOM 627 CG TYR A 42 -6.700 8.678 -11.305 1.00 1.00 C ATOM 628 CD1 TYR A 42 -7.283 9.721 -11.996 1.00 1.00 C ATOM 629 CD2 TYR A 42 -7.389 8.054 -10.286 1.00 1.00 C ATOM 630 CE1 TYR A 42 -8.613 10.156 -11.655 1.00 1.00 C ATOM 631 CE2 TYR A 42 -8.718 8.490 -9.944 1.00 1.00 C ATOM 632 CZ TYR A 42 -9.265 9.520 -10.645 1.00 1.00 C ATOM 633 OH TYR A 42 -10.520 9.932 -10.323 1.00 1.00 O ATOM 0 H TYR A 42 -4.589 6.070 -12.507 1.00 1.00 H new ATOM 0 HA TYR A 42 -5.906 8.358 -13.766 1.00 1.00 H new ATOM 0 HB2 TYR A 42 -5.076 7.283 -11.144 1.00 1.00 H new ATOM 0 HB3 TYR A 42 -4.571 8.953 -11.310 1.00 1.00 H new ATOM 0 HD1 TYR A 42 -6.742 10.211 -12.792 1.00 1.00 H new ATOM 0 HD2 TYR A 42 -6.932 7.239 -9.745 1.00 1.00 H new ATOM 0 HE1 TYR A 42 -9.082 10.969 -12.189 1.00 1.00 H new ATOM 0 HE2 TYR A 42 -9.269 8.010 -9.148 1.00 1.00 H new ATOM 0 HH TYR A 42 -10.864 9.387 -9.585 1.00 1.00 H new ATOM 643 N ALA A 43 -3.818 10.058 -13.290 1.00 1.00 N ATOM 644 CA ALA A 43 -2.710 10.917 -13.668 1.00 1.00 C ATOM 645 C ALA A 43 -1.401 10.310 -13.158 1.00 1.00 C ATOM 646 O ALA A 43 -0.966 10.609 -12.047 1.00 1.00 O ATOM 647 CB ALA A 43 -2.949 12.327 -13.124 1.00 1.00 C ATOM 0 H ALA A 43 -4.565 10.526 -12.778 1.00 1.00 H new ATOM 0 HA ALA A 43 -2.637 10.993 -14.753 1.00 1.00 H new ATOM 0 HB1 ALA A 43 -2.117 12.972 -13.408 1.00 1.00 H new ATOM 0 HB2 ALA A 43 -3.875 12.725 -13.539 1.00 1.00 H new ATOM 0 HB3 ALA A 43 -3.025 12.290 -12.037 1.00 1.00 H new ATOM 653 N PHE A 44 -0.811 9.468 -13.994 1.00 1.00 N ATOM 654 CA PHE A 44 0.461 8.851 -13.661 1.00 1.00 C ATOM 655 C PHE A 44 0.421 8.233 -12.262 1.00 1.00 C ATOM 656 O PHE A 44 1.332 8.441 -11.462 1.00 1.00 O ATOM 657 CB PHE A 44 1.516 9.959 -13.687 1.00 1.00 C ATOM 658 CG PHE A 44 1.502 10.803 -14.963 1.00 1.00 C ATOM 659 CD1 PHE A 44 1.942 10.272 -16.134 1.00 1.00 C ATOM 660 CD2 PHE A 44 1.047 12.084 -14.925 1.00 1.00 C ATOM 661 CE1 PHE A 44 1.928 11.056 -17.318 1.00 1.00 C ATOM 662 CE2 PHE A 44 1.032 12.868 -16.109 1.00 1.00 C ATOM 663 CZ PHE A 44 1.474 12.337 -17.280 1.00 1.00 C ATOM 0 H PHE A 44 -1.191 9.199 -14.902 1.00 1.00 H new ATOM 0 HA PHE A 44 0.687 8.057 -14.373 1.00 1.00 H new ATOM 0 HB2 PHE A 44 1.362 10.614 -12.829 1.00 1.00 H new ATOM 0 HB3 PHE A 44 2.502 9.510 -13.572 1.00 1.00 H new ATOM 0 HD1 PHE A 44 2.302 9.254 -16.164 1.00 1.00 H new ATOM 0 HD2 PHE A 44 0.697 12.505 -13.994 1.00 1.00 H new ATOM 0 HE1 PHE A 44 2.278 10.635 -18.249 1.00 1.00 H new ATOM 0 HE2 PHE A 44 0.670 13.885 -16.079 1.00 1.00 H new ATOM 0 HZ PHE A 44 1.464 12.933 -18.181 1.00 1.00 H new ATOM 673 N ALA A 45 -0.646 7.489 -12.009 1.00 1.00 N ATOM 674 CA ALA A 45 -0.669 6.574 -10.879 1.00 1.00 C ATOM 675 C ALA A 45 -1.796 5.559 -11.074 1.00 1.00 C ATOM 676 O ALA A 45 -2.849 5.892 -11.616 1.00 1.00 O ATOM 677 CB ALA A 45 -0.818 7.371 -9.581 1.00 1.00 C ATOM 0 H ALA A 45 -1.500 7.501 -12.566 1.00 1.00 H new ATOM 0 HA ALA A 45 0.266 6.018 -10.814 1.00 1.00 H new ATOM 0 HB1 ALA A 45 -0.835 6.686 -8.733 1.00 1.00 H new ATOM 0 HB2 ALA A 45 0.023 8.057 -9.476 1.00 1.00 H new ATOM 0 HB3 ALA A 45 -1.748 7.939 -9.608 1.00 1.00 H new ATOM 683 N CYS A 46 -1.538 4.341 -10.620 1.00 1.00 N ATOM 684 CA CYS A 46 -2.453 3.241 -10.869 1.00 1.00 C ATOM 685 C CYS A 46 -3.303 3.028 -9.614 1.00 1.00 C ATOM 686 O CYS A 46 -2.827 2.478 -8.623 1.00 1.00 O ATOM 687 CB CYS A 46 -1.708 1.967 -11.275 1.00 1.00 C ATOM 688 SG CYS A 46 -1.133 1.935 -13.012 1.00 1.00 S ATOM 0 H CYS A 46 -0.708 4.092 -10.081 1.00 1.00 H new ATOM 0 HA CYS A 46 -3.102 3.489 -11.709 1.00 1.00 H new ATOM 0 HB2 CYS A 46 -0.846 1.842 -10.619 1.00 1.00 H new ATOM 0 HB3 CYS A 46 -2.362 1.111 -11.108 1.00 1.00 H new ATOM 693 N TRP A 47 -4.547 3.476 -9.699 1.00 1.00 N ATOM 694 CA TRP A 47 -5.451 3.394 -8.565 1.00 1.00 C ATOM 695 C TRP A 47 -6.145 2.031 -8.611 1.00 1.00 C ATOM 696 O TRP A 47 -6.807 1.701 -9.593 1.00 1.00 O ATOM 697 CB TRP A 47 -6.435 4.567 -8.562 1.00 1.00 C ATOM 698 CG TRP A 47 -7.485 4.495 -7.451 1.00 1.00 C ATOM 699 CD1 TRP A 47 -8.448 3.578 -7.285 1.00 1.00 C ATOM 700 CD2 TRP A 47 -7.639 5.417 -6.352 1.00 1.00 C ATOM 701 NE1 TRP A 47 -9.209 3.842 -6.164 1.00 1.00 N ATOM 702 CE2 TRP A 47 -8.701 4.995 -5.579 1.00 1.00 C ATOM 703 CE3 TRP A 47 -6.904 6.570 -6.023 1.00 1.00 C ATOM 704 CZ2 TRP A 47 -9.125 5.668 -4.427 1.00 1.00 C ATOM 705 CZ3 TRP A 47 -7.341 7.231 -4.869 1.00 1.00 C ATOM 706 CH2 TRP A 47 -8.408 6.820 -4.079 1.00 1.00 C ATOM 0 H TRP A 47 -4.950 3.897 -10.536 1.00 1.00 H new ATOM 0 HA TRP A 47 -4.901 3.473 -7.627 1.00 1.00 H new ATOM 0 HB2 TRP A 47 -5.876 5.497 -8.460 1.00 1.00 H new ATOM 0 HB3 TRP A 47 -6.943 4.605 -9.526 1.00 1.00 H new ATOM 0 HD1 TRP A 47 -8.608 2.738 -7.945 1.00 1.00 H new ATOM 0 HE1 TRP A 47 -9.999 3.292 -5.827 1.00 1.00 H new ATOM 0 HE3 TRP A 47 -6.069 6.918 -6.613 1.00 1.00 H new ATOM 0 HZ2 TRP A 47 -9.960 5.318 -3.838 1.00 1.00 H new ATOM 0 HZ3 TRP A 47 -6.811 8.124 -4.571 1.00 1.00 H new ATOM 0 HH2 TRP A 47 -8.683 7.386 -3.201 1.00 1.00 H new ATOM 717 N CYS A 48 -5.970 1.278 -7.535 1.00 1.00 N ATOM 718 CA CYS A 48 -6.740 0.061 -7.340 1.00 1.00 C ATOM 719 C CYS A 48 -8.018 0.418 -6.579 1.00 1.00 C ATOM 720 O CYS A 48 -8.004 1.285 -5.708 1.00 1.00 O ATOM 721 CB CYS A 48 -5.926 -1.014 -6.617 1.00 1.00 C ATOM 722 SG CYS A 48 -5.815 -2.614 -7.498 1.00 1.00 S ATOM 0 H CYS A 48 -5.306 1.487 -6.789 1.00 1.00 H new ATOM 0 HA CYS A 48 -7.002 -0.365 -8.308 1.00 1.00 H new ATOM 0 HB2 CYS A 48 -4.917 -0.636 -6.451 1.00 1.00 H new ATOM 0 HB3 CYS A 48 -6.368 -1.186 -5.635 1.00 1.00 H new ATOM 727 N THR A 49 -9.093 -0.270 -6.935 1.00 1.00 N ATOM 728 CA THR A 49 -10.412 0.101 -6.456 1.00 1.00 C ATOM 729 C THR A 49 -11.265 -1.147 -6.218 1.00 1.00 C ATOM 730 O THR A 49 -12.469 -1.139 -6.472 1.00 1.00 O ATOM 731 CB THR A 49 -11.027 1.072 -7.465 1.00 1.00 C ATOM 732 OG1 THR A 49 -12.383 1.197 -7.046 1.00 1.00 O ATOM 733 CG2 THR A 49 -11.125 0.473 -8.870 1.00 1.00 C ATOM 0 H THR A 49 -9.076 -1.083 -7.550 1.00 1.00 H new ATOM 0 HA THR A 49 -10.353 0.605 -5.492 1.00 1.00 H new ATOM 0 HB THR A 49 -10.431 1.984 -7.500 1.00 1.00 H new ATOM 0 HG1 THR A 49 -12.850 0.348 -7.192 1.00 1.00 H new ATOM 0 HG21 THR A 49 -11.568 1.203 -9.547 1.00 1.00 H new ATOM 0 HG22 THR A 49 -10.128 0.209 -9.223 1.00 1.00 H new ATOM 0 HG23 THR A 49 -11.748 -0.421 -8.842 1.00 1.00 H new ATOM 741 N HIS A 50 -10.607 -2.190 -5.733 1.00 1.00 N ATOM 742 CA HIS A 50 -11.316 -3.357 -5.234 1.00 1.00 C ATOM 743 C HIS A 50 -10.484 -4.037 -4.146 1.00 1.00 C ATOM 744 O HIS A 50 -10.084 -5.190 -4.295 1.00 1.00 O ATOM 745 CB HIS A 50 -11.679 -4.302 -6.382 1.00 1.00 C ATOM 746 CG HIS A 50 -12.613 -3.698 -7.403 1.00 1.00 C ATOM 747 ND1 HIS A 50 -13.968 -3.536 -7.177 1.00 1.00 N ATOM 748 CD2 HIS A 50 -12.372 -3.219 -8.657 1.00 1.00 C ATOM 749 CE1 HIS A 50 -14.509 -2.985 -8.253 1.00 1.00 C ATOM 750 NE2 HIS A 50 -13.519 -2.789 -9.169 1.00 1.00 N ATOM 0 H HIS A 50 -9.591 -2.252 -5.675 1.00 1.00 H new ATOM 0 HA HIS A 50 -12.259 -3.049 -4.781 1.00 1.00 H new ATOM 0 HB2 HIS A 50 -10.764 -4.616 -6.883 1.00 1.00 H new ATOM 0 HB3 HIS A 50 -12.140 -5.199 -5.969 1.00 1.00 H new ATOM 0 HD2 HIS A 50 -11.411 -3.194 -9.150 1.00 1.00 H new ATOM 0 HE1 HIS A 50 -15.552 -2.735 -8.382 1.00 1.00 H new ATOM 0 HE2 HIS A 50 -13.639 -2.379 -10.095 1.00 1.00 H new ATOM 758 N LEU A 51 -10.248 -3.294 -3.075 1.00 1.00 N ATOM 759 CA LEU A 51 -9.265 -3.698 -2.084 1.00 1.00 C ATOM 760 C LEU A 51 -9.974 -4.002 -0.763 1.00 1.00 C ATOM 761 O LEU A 51 -11.145 -3.668 -0.593 1.00 1.00 O ATOM 762 CB LEU A 51 -8.161 -2.646 -1.963 1.00 1.00 C ATOM 763 CG LEU A 51 -7.394 -2.327 -3.248 1.00 1.00 C ATOM 764 CD1 LEU A 51 -6.654 -0.993 -3.128 1.00 1.00 C ATOM 765 CD2 LEU A 51 -6.453 -3.473 -3.624 1.00 1.00 C ATOM 0 H LEU A 51 -10.721 -2.414 -2.872 1.00 1.00 H new ATOM 0 HA LEU A 51 -8.765 -4.615 -2.396 1.00 1.00 H new ATOM 0 HB2 LEU A 51 -8.605 -1.723 -1.590 1.00 1.00 H new ATOM 0 HB3 LEU A 51 -7.447 -2.982 -1.211 1.00 1.00 H new ATOM 0 HG LEU A 51 -8.115 -2.223 -4.059 1.00 1.00 H new ATOM 0 HD11 LEU A 51 -6.117 -0.790 -4.055 1.00 1.00 H new ATOM 0 HD12 LEU A 51 -7.372 -0.194 -2.942 1.00 1.00 H new ATOM 0 HD13 LEU A 51 -5.945 -1.043 -2.301 1.00 1.00 H new ATOM 0 HD21 LEU A 51 -5.920 -3.220 -4.541 1.00 1.00 H new ATOM 0 HD22 LEU A 51 -5.735 -3.633 -2.820 1.00 1.00 H new ATOM 0 HD23 LEU A 51 -7.032 -4.383 -3.780 1.00 1.00 H new ATOM 777 N TYR A 52 -9.234 -4.631 0.138 1.00 1.00 N ATOM 778 CA TYR A 52 -9.634 -4.676 1.534 1.00 1.00 C ATOM 779 C TYR A 52 -8.727 -3.790 2.392 1.00 1.00 C ATOM 780 O TYR A 52 -7.807 -3.155 1.879 1.00 1.00 O ATOM 781 CB TYR A 52 -9.468 -6.132 1.973 1.00 1.00 C ATOM 782 CG TYR A 52 -8.546 -6.953 1.070 1.00 1.00 C ATOM 783 CD1 TYR A 52 -7.181 -6.932 1.275 1.00 1.00 C ATOM 784 CD2 TYR A 52 -9.079 -7.715 0.050 1.00 1.00 C ATOM 785 CE1 TYR A 52 -6.314 -7.706 0.425 1.00 1.00 C ATOM 786 CE2 TYR A 52 -8.211 -8.488 -0.800 1.00 1.00 C ATOM 787 CZ TYR A 52 -6.871 -8.445 -0.570 1.00 1.00 C ATOM 788 OH TYR A 52 -6.052 -9.175 -1.374 1.00 1.00 O ATOM 0 H TYR A 52 -8.360 -5.113 -0.071 1.00 1.00 H new ATOM 0 HA TYR A 52 -10.657 -4.318 1.653 1.00 1.00 H new ATOM 0 HB2 TYR A 52 -9.075 -6.152 2.990 1.00 1.00 H new ATOM 0 HB3 TYR A 52 -10.449 -6.606 2.001 1.00 1.00 H new ATOM 0 HD1 TYR A 52 -6.764 -6.335 2.073 1.00 1.00 H new ATOM 0 HD2 TYR A 52 -10.147 -7.731 -0.111 1.00 1.00 H new ATOM 0 HE1 TYR A 52 -5.244 -7.699 0.575 1.00 1.00 H new ATOM 0 HE2 TYR A 52 -8.615 -9.088 -1.602 1.00 1.00 H new ATOM 0 HH TYR A 52 -6.589 -9.654 -2.040 1.00 1.00 H new ATOM 798 N GLU A 53 -9.019 -3.777 3.685 1.00 1.00 N ATOM 799 CA GLU A 53 -8.310 -2.902 4.603 1.00 1.00 C ATOM 800 C GLU A 53 -6.823 -3.262 4.638 1.00 1.00 C ATOM 801 O GLU A 53 -5.987 -2.428 4.984 1.00 1.00 O ATOM 802 CB GLU A 53 -8.923 -2.963 6.003 1.00 1.00 C ATOM 803 CG GLU A 53 -10.316 -2.331 6.021 1.00 1.00 C ATOM 804 CD GLU A 53 -10.952 -2.445 7.407 1.00 1.00 C ATOM 805 OE1 GLU A 53 -11.424 -3.558 7.726 1.00 1.00 O ATOM 806 OE2 GLU A 53 -10.954 -1.417 8.117 1.00 1.00 O ATOM 0 H GLU A 53 -9.737 -4.358 4.118 1.00 1.00 H new ATOM 0 HA GLU A 53 -8.407 -1.877 4.245 1.00 1.00 H new ATOM 0 HB2 GLU A 53 -8.987 -4.001 6.331 1.00 1.00 H new ATOM 0 HB3 GLU A 53 -8.276 -2.444 6.710 1.00 1.00 H new ATOM 0 HG2 GLU A 53 -10.247 -1.282 5.734 1.00 1.00 H new ATOM 0 HG3 GLU A 53 -10.951 -2.822 5.284 1.00 1.00 H new ATOM 813 N GLN A 54 -6.539 -4.503 4.277 1.00 1.00 N ATOM 814 CA GLN A 54 -5.164 -4.967 4.210 1.00 1.00 C ATOM 815 C GLN A 54 -4.619 -4.811 2.789 1.00 1.00 C ATOM 816 O GLN A 54 -3.825 -5.631 2.331 1.00 1.00 O ATOM 817 CB GLN A 54 -5.051 -6.418 4.684 1.00 1.00 C ATOM 818 CG GLN A 54 -5.116 -6.503 6.210 1.00 1.00 C ATOM 819 CD GLN A 54 -5.056 -7.957 6.682 1.00 1.00 C ATOM 820 OE1 GLN A 54 -5.182 -8.893 5.908 1.00 1.00 O ATOM 821 NE2 GLN A 54 -4.857 -8.095 7.989 1.00 1.00 N ATOM 0 H GLN A 54 -7.238 -5.203 4.027 1.00 1.00 H new ATOM 0 HA GLN A 54 -4.561 -4.352 4.879 1.00 1.00 H new ATOM 0 HB2 GLN A 54 -5.856 -7.010 4.249 1.00 1.00 H new ATOM 0 HB3 GLN A 54 -4.113 -6.847 4.332 1.00 1.00 H new ATOM 0 HG2 GLN A 54 -4.289 -5.942 6.644 1.00 1.00 H new ATOM 0 HG3 GLN A 54 -6.037 -6.040 6.565 1.00 1.00 H new ATOM 0 HE21 GLN A 54 -4.760 -7.269 8.580 1.00 1.00 H new ATOM 0 HE22 GLN A 54 -4.801 -9.026 8.401 1.00 1.00 H new ATOM 830 N ALA A 55 -5.067 -3.752 2.130 1.00 1.00 N ATOM 831 CA ALA A 55 -4.260 -3.110 1.107 1.00 1.00 C ATOM 832 C ALA A 55 -3.715 -1.787 1.650 1.00 1.00 C ATOM 833 O ALA A 55 -4.481 -0.924 2.075 1.00 1.00 O ATOM 834 CB ALA A 55 -5.098 -2.920 -0.158 1.00 1.00 C ATOM 0 H ALA A 55 -5.979 -3.323 2.285 1.00 1.00 H new ATOM 0 HA ALA A 55 -3.407 -3.734 0.842 1.00 1.00 H new ATOM 0 HB1 ALA A 55 -4.493 -2.438 -0.926 1.00 1.00 H new ATOM 0 HB2 ALA A 55 -5.437 -3.891 -0.519 1.00 1.00 H new ATOM 0 HB3 ALA A 55 -5.962 -2.295 0.068 1.00 1.00 H new ATOM 840 N ILE A 56 -2.395 -1.671 1.618 1.00 1.00 N ATOM 841 CA ILE A 56 -1.754 -0.380 1.795 1.00 1.00 C ATOM 842 C ILE A 56 -1.674 0.333 0.444 1.00 1.00 C ATOM 843 O ILE A 56 -1.609 -0.313 -0.601 1.00 1.00 O ATOM 844 CB ILE A 56 -0.397 -0.544 2.484 1.00 1.00 C ATOM 845 CG1 ILE A 56 -0.557 -1.207 3.854 1.00 1.00 C ATOM 846 CG2 ILE A 56 0.336 0.795 2.577 1.00 1.00 C ATOM 847 CD1 ILE A 56 0.770 -1.803 4.332 1.00 1.00 C ATOM 0 H ILE A 56 -1.753 -2.450 1.472 1.00 1.00 H new ATOM 0 HA ILE A 56 -2.347 0.252 2.456 1.00 1.00 H new ATOM 0 HB ILE A 56 0.219 -1.205 1.875 1.00 1.00 H new ATOM 0 HG12 ILE A 56 -0.912 -0.474 4.578 1.00 1.00 H new ATOM 0 HG13 ILE A 56 -1.312 -1.991 3.797 1.00 1.00 H new ATOM 0 HG21 ILE A 56 1.297 0.650 3.071 1.00 1.00 H new ATOM 0 HG22 ILE A 56 0.499 1.191 1.575 1.00 1.00 H new ATOM 0 HG23 ILE A 56 -0.265 1.499 3.152 1.00 1.00 H new ATOM 0 HD11 ILE A 56 0.629 -2.268 5.308 1.00 1.00 H new ATOM 0 HD12 ILE A 56 1.110 -2.553 3.618 1.00 1.00 H new ATOM 0 HD13 ILE A 56 1.516 -1.013 4.411 1.00 1.00 H new ATOM 859 N VAL A 57 -1.682 1.657 0.507 1.00 1.00 N ATOM 860 CA VAL A 57 -1.540 2.465 -0.692 1.00 1.00 C ATOM 861 C VAL A 57 -0.326 3.383 -0.543 1.00 1.00 C ATOM 862 O VAL A 57 -0.050 3.883 0.546 1.00 1.00 O ATOM 863 CB VAL A 57 -2.837 3.229 -0.964 1.00 1.00 C ATOM 864 CG1 VAL A 57 -3.704 3.304 0.295 1.00 1.00 C ATOM 865 CG2 VAL A 57 -2.546 4.628 -1.513 1.00 1.00 C ATOM 0 H VAL A 57 -1.785 2.190 1.370 1.00 1.00 H new ATOM 0 HA VAL A 57 -1.363 1.831 -1.561 1.00 1.00 H new ATOM 0 HB VAL A 57 -3.395 2.681 -1.723 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -4.620 3.852 0.074 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -3.955 2.296 0.624 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.155 3.818 1.085 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.485 5.149 -1.698 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -1.957 5.188 -0.787 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -1.988 4.544 -2.446 1.00 1.00 H new ATOM 875 N TRP A 58 0.369 3.578 -1.655 1.00 1.00 N ATOM 876 CA TRP A 58 1.746 4.038 -1.606 1.00 1.00 C ATOM 877 C TRP A 58 1.785 5.325 -0.777 1.00 1.00 C ATOM 878 O TRP A 58 0.806 6.068 -0.733 1.00 1.00 O ATOM 879 CB TRP A 58 2.315 4.218 -3.014 1.00 1.00 C ATOM 880 CG TRP A 58 3.699 4.869 -3.049 1.00 1.00 C ATOM 881 CD1 TRP A 58 4.892 4.267 -3.145 1.00 1.00 C ATOM 882 CD2 TRP A 58 3.986 6.283 -2.984 1.00 1.00 C ATOM 883 NE1 TRP A 58 5.924 5.184 -3.145 1.00 1.00 N ATOM 884 CE2 TRP A 58 5.355 6.449 -3.045 1.00 1.00 C ATOM 885 CE3 TRP A 58 3.118 7.383 -2.877 1.00 1.00 C ATOM 886 CZ2 TRP A 58 5.977 7.702 -3.006 1.00 1.00 C ATOM 887 CZ3 TRP A 58 3.755 8.629 -2.838 1.00 1.00 C ATOM 888 CH2 TRP A 58 5.132 8.813 -2.899 1.00 1.00 C ATOM 0 H TRP A 58 0.004 3.426 -2.595 1.00 1.00 H new ATOM 0 HA TRP A 58 2.384 3.295 -1.127 1.00 1.00 H new ATOM 0 HB2 TRP A 58 2.371 3.243 -3.499 1.00 1.00 H new ATOM 0 HB3 TRP A 58 1.624 4.826 -3.599 1.00 1.00 H new ATOM 0 HD1 TRP A 58 5.029 3.198 -3.214 1.00 1.00 H new ATOM 0 HE1 TRP A 58 6.920 4.973 -3.207 1.00 1.00 H new ATOM 0 HE3 TRP A 58 2.044 7.276 -2.829 1.00 1.00 H new ATOM 0 HZ2 TRP A 58 7.051 7.806 -3.056 1.00 1.00 H new ATOM 0 HZ3 TRP A 58 3.134 9.509 -2.755 1.00 1.00 H new ATOM 0 HH2 TRP A 58 5.548 9.809 -2.864 1.00 1.00 H new ATOM 899 N PRO A 59 2.957 5.554 -0.125 1.00 1.00 N ATOM 900 CA PRO A 59 3.958 4.508 0.003 1.00 1.00 C ATOM 901 C PRO A 59 3.538 3.473 1.048 1.00 1.00 C ATOM 902 O PRO A 59 2.362 3.377 1.395 1.00 1.00 O ATOM 903 CB PRO A 59 5.241 5.235 0.369 1.00 1.00 C ATOM 904 CG PRO A 59 4.814 6.599 0.886 1.00 1.00 C ATOM 905 CD PRO A 59 3.358 6.808 0.504 1.00 1.00 C ATOM 0 HA PRO A 59 4.089 3.935 -0.915 1.00 1.00 H new ATOM 0 HB2 PRO A 59 5.798 4.686 1.129 1.00 1.00 H new ATOM 0 HB3 PRO A 59 5.895 5.333 -0.497 1.00 1.00 H new ATOM 0 HG2 PRO A 59 4.936 6.652 1.968 1.00 1.00 H new ATOM 0 HG3 PRO A 59 5.438 7.383 0.456 1.00 1.00 H new ATOM 0 HD2 PRO A 59 2.746 7.025 1.379 1.00 1.00 H new ATOM 0 HD3 PRO A 59 3.245 7.649 -0.181 1.00 1.00 H new ATOM 913 N LEU A 60 4.524 2.723 1.521 1.00 1.00 N ATOM 914 CA LEU A 60 4.463 2.166 2.862 1.00 1.00 C ATOM 915 C LEU A 60 4.623 3.292 3.885 1.00 1.00 C ATOM 916 O LEU A 60 5.183 4.342 3.575 1.00 1.00 O ATOM 917 CB LEU A 60 5.487 1.040 3.021 1.00 1.00 C ATOM 918 CG LEU A 60 5.241 -0.214 2.180 1.00 1.00 C ATOM 919 CD1 LEU A 60 3.751 -0.389 1.878 1.00 1.00 C ATOM 920 CD2 LEU A 60 6.085 -0.194 0.905 1.00 1.00 C ATOM 0 H LEU A 60 5.369 2.489 1.000 1.00 1.00 H new ATOM 0 HA LEU A 60 3.490 1.709 3.041 1.00 1.00 H new ATOM 0 HB2 LEU A 60 6.472 1.434 2.771 1.00 1.00 H new ATOM 0 HB3 LEU A 60 5.517 0.749 4.071 1.00 1.00 H new ATOM 0 HG LEU A 60 5.556 -1.081 2.761 1.00 1.00 H new ATOM 0 HD11 LEU A 60 3.604 -1.288 1.279 1.00 1.00 H new ATOM 0 HD12 LEU A 60 3.199 -0.482 2.813 1.00 1.00 H new ATOM 0 HD13 LEU A 60 3.387 0.478 1.326 1.00 1.00 H new ATOM 0 HD21 LEU A 60 5.891 -1.097 0.326 1.00 1.00 H new ATOM 0 HD22 LEU A 60 5.825 0.682 0.310 1.00 1.00 H new ATOM 0 HD23 LEU A 60 7.142 -0.153 1.169 1.00 1.00 H new ATOM 932 N PRO A 61 4.108 3.027 5.116 1.00 1.00 N ATOM 933 CA PRO A 61 4.411 3.880 6.252 1.00 1.00 C ATOM 934 C PRO A 61 5.834 3.636 6.757 1.00 1.00 C ATOM 935 O PRO A 61 6.633 4.567 6.847 1.00 1.00 O ATOM 936 CB PRO A 61 3.348 3.548 7.287 1.00 1.00 C ATOM 937 CG PRO A 61 2.775 2.200 6.879 1.00 1.00 C ATOM 938 CD PRO A 61 3.228 1.914 5.456 1.00 1.00 C ATOM 0 HA PRO A 61 4.386 4.940 6.001 1.00 1.00 H new ATOM 0 HB2 PRO A 61 3.778 3.503 8.288 1.00 1.00 H new ATOM 0 HB3 PRO A 61 2.571 4.312 7.308 1.00 1.00 H new ATOM 0 HG2 PRO A 61 3.121 1.418 7.555 1.00 1.00 H new ATOM 0 HG3 PRO A 61 1.687 2.214 6.938 1.00 1.00 H new ATOM 0 HD2 PRO A 61 3.753 0.961 5.392 1.00 1.00 H new ATOM 0 HD3 PRO A 61 2.379 1.858 4.774 1.00 1.00 H new ATOM 946 N ASN A 62 6.109 2.379 7.074 1.00 1.00 N ATOM 947 CA ASN A 62 7.175 2.058 8.007 1.00 1.00 C ATOM 948 C ASN A 62 8.399 1.571 7.228 1.00 1.00 C ATOM 949 O ASN A 62 9.373 1.112 7.821 1.00 1.00 O ATOM 950 CB ASN A 62 6.750 0.945 8.966 1.00 1.00 C ATOM 951 CG ASN A 62 6.391 -0.331 8.201 1.00 1.00 C ATOM 952 OD1 ASN A 62 5.815 -0.299 7.125 1.00 1.00 O ATOM 953 ND2 ASN A 62 6.762 -1.451 8.813 1.00 1.00 N ATOM 0 H ASN A 62 5.611 1.571 6.701 1.00 1.00 H new ATOM 0 HA ASN A 62 7.406 2.957 8.578 1.00 1.00 H new ATOM 0 HB2 ASN A 62 7.557 0.737 9.668 1.00 1.00 H new ATOM 0 HB3 ASN A 62 5.893 1.274 9.554 1.00 1.00 H new ATOM 0 HD21 ASN A 62 6.568 -2.355 8.383 1.00 1.00 H new ATOM 0 HD22 ASN A 62 7.241 -1.406 9.713 1.00 1.00 H new ATOM 960 N LYS A 63 8.308 1.689 5.912 1.00 1.00 N ATOM 961 CA LYS A 63 9.434 1.366 5.052 1.00 1.00 C ATOM 962 C LYS A 63 9.199 1.966 3.665 1.00 1.00 C ATOM 963 O LYS A 63 9.197 1.247 2.666 1.00 1.00 O ATOM 964 CB LYS A 63 9.679 -0.145 5.035 1.00 1.00 C ATOM 965 CG LYS A 63 8.402 -0.903 4.671 1.00 1.00 C ATOM 966 CD LYS A 63 8.728 -2.295 4.123 1.00 1.00 C ATOM 967 CE LYS A 63 9.168 -2.217 2.659 1.00 1.00 C ATOM 968 NZ LYS A 63 9.422 -3.573 2.122 1.00 1.00 N ATOM 0 H LYS A 63 7.472 2.004 5.420 1.00 1.00 H new ATOM 0 HA LYS A 63 10.350 1.810 5.441 1.00 1.00 H new ATOM 0 HB2 LYS A 63 10.464 -0.382 4.317 1.00 1.00 H new ATOM 0 HB3 LYS A 63 10.033 -0.471 6.013 1.00 1.00 H new ATOM 0 HG2 LYS A 63 7.766 -0.995 5.551 1.00 1.00 H new ATOM 0 HG3 LYS A 63 7.839 -0.338 3.928 1.00 1.00 H new ATOM 0 HD2 LYS A 63 9.518 -2.749 4.721 1.00 1.00 H new ATOM 0 HD3 LYS A 63 7.853 -2.939 4.210 1.00 1.00 H new ATOM 0 HE2 LYS A 63 8.397 -1.723 2.067 1.00 1.00 H new ATOM 0 HE3 LYS A 63 10.070 -1.611 2.576 1.00 1.00 H new ATOM 0 HZ1 LYS A 63 10.080 -3.511 1.319 1.00 1.00 H new ATOM 0 HZ2 LYS A 63 9.839 -4.168 2.866 1.00 1.00 H new ATOM 0 HZ3 LYS A 63 8.526 -3.994 1.804 1.00 1.00 H new ATOM 982 N ARG A 64 9.009 3.277 3.647 1.00 1.00 N ATOM 983 CA ARG A 64 8.913 4.002 2.392 1.00 1.00 C ATOM 984 C ARG A 64 10.242 3.935 1.637 1.00 1.00 C ATOM 985 O ARG A 64 11.263 3.549 2.205 1.00 1.00 O ATOM 986 CB ARG A 64 8.542 5.468 2.628 1.00 1.00 C ATOM 987 CG ARG A 64 9.556 6.147 3.551 1.00 1.00 C ATOM 988 CD ARG A 64 9.764 7.610 3.154 1.00 1.00 C ATOM 989 NE ARG A 64 10.735 8.250 4.069 1.00 1.00 N ATOM 990 CZ ARG A 64 12.044 7.967 4.091 1.00 1.00 C ATOM 991 NH1 ARG A 64 12.579 7.192 3.139 1.00 1.00 N ATOM 992 NH2 ARG A 64 12.820 8.460 5.067 1.00 1.00 N ATOM 0 H ARG A 64 8.919 3.856 4.482 1.00 1.00 H new ATOM 0 HA ARG A 64 8.129 3.532 1.798 1.00 1.00 H new ATOM 0 HB2 ARG A 64 8.502 5.995 1.675 1.00 1.00 H new ATOM 0 HB3 ARG A 64 7.546 5.529 3.068 1.00 1.00 H new ATOM 0 HG2 ARG A 64 9.208 6.092 4.583 1.00 1.00 H new ATOM 0 HG3 ARG A 64 10.507 5.616 3.507 1.00 1.00 H new ATOM 0 HD2 ARG A 64 10.126 7.669 2.128 1.00 1.00 H new ATOM 0 HD3 ARG A 64 8.814 8.143 3.188 1.00 1.00 H new ATOM 0 HE ARG A 64 10.386 8.950 4.724 1.00 1.00 H new ATOM 0 HH11 ARG A 64 11.990 6.817 2.396 1.00 1.00 H new ATOM 0 HH12 ARG A 64 13.576 6.977 3.157 1.00 1.00 H new ATOM 0 HH21 ARG A 64 12.413 9.050 5.793 1.00 1.00 H new ATOM 0 HH22 ARG A 64 13.817 8.245 5.084 1.00 1.00 H new ATOM 1006 N CYS A 65 10.187 4.319 0.370 1.00 1.00 N ATOM 1007 CA CYS A 65 11.353 4.225 -0.492 1.00 1.00 C ATOM 1008 C CYS A 65 12.393 5.237 -0.003 1.00 1.00 C ATOM 1009 O CYS A 65 12.046 6.235 0.624 1.00 1.00 O ATOM 1010 CB CYS A 65 10.990 4.445 -1.961 1.00 1.00 C ATOM 1011 SG CYS A 65 12.001 3.492 -3.153 1.00 1.00 S ATOM 0 H CYS A 65 9.353 4.696 -0.080 1.00 1.00 H new ATOM 0 HA CYS A 65 11.770 3.220 -0.436 1.00 1.00 H new ATOM 0 HB2 CYS A 65 9.942 4.183 -2.105 1.00 1.00 H new ATOM 0 HB3 CYS A 65 11.088 5.506 -2.190 1.00 1.00 H new