USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 218 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 PHE N :NH3+ 162:sc= 0.49 (180deg=0.258) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 39:sc= 0.773 USER MOD Single : A 12 SER OG : rot 83:sc= 1.34 USER MOD Single : A 16 THR OG1 : rot 48:sc= 1.28 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.00643 USER MOD Single : A 24 SER OG : rot -57:sc= 0.537 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0.893 K(o=0.89,f=-8.8!) USER MOD Single : A 31 ASN : amide:sc= -0.0208 K(o=-0.021,f=-1.1) USER MOD Single : A 32 ASN : amide:sc= 0.622 K(o=0.62,f=-0.35) USER MOD Single : A 33 GLN : amide:sc= 1.2 K(o=1.2,f=-0.39) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PHE A 1 0.969 -5.797 8.741 1.00 0.00 N ATOM 2 CA PHE A 1 0.292 -4.534 8.499 1.00 0.00 C ATOM 3 C PHE A 1 1.182 -3.349 8.895 1.00 0.00 C ATOM 4 O PHE A 1 1.966 -3.438 9.837 1.00 0.00 O ATOM 5 CB PHE A 1 -1.021 -4.476 9.292 1.00 0.00 C ATOM 6 CG PHE A 1 -1.912 -5.705 9.233 1.00 0.00 C ATOM 7 CD1 PHE A 1 -2.106 -6.398 8.020 1.00 0.00 C ATOM 8 CD2 PHE A 1 -2.571 -6.143 10.396 1.00 0.00 C ATOM 9 CE1 PHE A 1 -2.936 -7.532 7.987 1.00 0.00 C ATOM 10 CE2 PHE A 1 -3.406 -7.269 10.356 1.00 0.00 C ATOM 11 CZ PHE A 1 -3.591 -7.966 9.151 1.00 0.00 C ATOM 0 H1 PHE A 1 0.270 -6.567 8.762 1.00 0.00 H new ATOM 0 H2 PHE A 1 1.656 -5.974 7.981 1.00 0.00 H new ATOM 0 H3 PHE A 1 1.466 -5.755 9.654 1.00 0.00 H new ATOM 0 HA PHE A 1 0.076 -4.467 7.433 1.00 0.00 H new ATOM 0 HB2 PHE A 1 -0.778 -4.282 10.337 1.00 0.00 H new ATOM 0 HB3 PHE A 1 -1.596 -3.622 8.935 1.00 0.00 H new ATOM 0 HD1 PHE A 1 -1.618 -6.058 7.119 1.00 0.00 H new ATOM 0 HD2 PHE A 1 -2.433 -5.609 11.325 1.00 0.00 H new ATOM 0 HE1 PHE A 1 -3.071 -8.072 7.062 1.00 0.00 H new ATOM 0 HE2 PHE A 1 -3.907 -7.601 11.253 1.00 0.00 H new ATOM 0 HZ PHE A 1 -4.235 -8.833 9.120 1.00 0.00 H new ATOM 20 N GLY A 2 1.020 -2.220 8.203 1.00 0.00 N ATOM 21 CA GLY A 2 1.659 -0.959 8.530 1.00 0.00 C ATOM 22 C GLY A 2 2.150 -0.255 7.276 1.00 0.00 C ATOM 23 O GLY A 2 1.537 -0.407 6.222 1.00 0.00 O ATOM 0 H GLY A 2 0.423 -2.164 7.378 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.955 -0.317 9.059 1.00 0.00 H new ATOM 0 HA3 GLY A 2 2.497 -1.136 9.204 1.00 0.00 H new ATOM 27 N LEU A 3 3.196 0.571 7.402 1.00 0.00 N ATOM 28 CA LEU A 3 3.669 1.417 6.316 1.00 0.00 C ATOM 29 C LEU A 3 4.717 0.716 5.462 1.00 0.00 C ATOM 30 O LEU A 3 5.458 -0.131 5.959 1.00 0.00 O ATOM 31 CB LEU A 3 4.172 2.780 6.823 1.00 0.00 C ATOM 32 CG LEU A 3 5.378 2.717 7.780 1.00 0.00 C ATOM 33 CD1 LEU A 3 6.330 3.882 7.486 1.00 0.00 C ATOM 34 CD2 LEU A 3 4.942 2.795 9.249 1.00 0.00 C ATOM 0 H LEU A 3 3.734 0.667 8.263 1.00 0.00 H new ATOM 0 HA LEU A 3 2.809 1.611 5.675 1.00 0.00 H new ATOM 0 HB2 LEU A 3 4.442 3.393 5.963 1.00 0.00 H new ATOM 0 HB3 LEU A 3 3.351 3.287 7.331 1.00 0.00 H new ATOM 0 HG LEU A 3 5.878 1.762 7.618 1.00 0.00 H new ATOM 0 HD11 LEU A 3 7.182 3.835 8.164 1.00 0.00 H new ATOM 0 HD12 LEU A 3 6.681 3.814 6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 3 5.804 4.826 7.628 1.00 0.00 H new ATOM 0 HD21 LEU A 3 5.821 2.747 9.892 1.00 0.00 H new ATOM 0 HD22 LEU A 3 4.415 3.733 9.423 1.00 0.00 H new ATOM 0 HD23 LEU A 3 4.280 1.960 9.477 1.00 0.00 H new ATOM 45 N ILE A 4 4.764 1.068 4.177 1.00 0.00 N ATOM 46 CA ILE A 4 5.711 0.581 3.209 1.00 0.00 C ATOM 47 C ILE A 4 6.352 1.825 2.589 1.00 0.00 C ATOM 48 O ILE A 4 5.807 2.919 2.737 1.00 0.00 O ATOM 49 CB ILE A 4 4.913 -0.267 2.201 1.00 0.00 C ATOM 50 CG1 ILE A 4 4.252 0.557 1.088 1.00 0.00 C ATOM 51 CG2 ILE A 4 3.811 -1.084 2.908 1.00 0.00 C ATOM 52 CD1 ILE A 4 4.692 0.068 -0.279 1.00 0.00 C ATOM 0 H ILE A 4 4.104 1.734 3.776 1.00 0.00 H new ATOM 0 HA ILE A 4 6.504 -0.048 3.614 1.00 0.00 H new ATOM 0 HB ILE A 4 5.652 -0.925 1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 4 3.168 0.487 1.173 1.00 0.00 H new ATOM 0 HG13 ILE A 4 4.513 1.609 1.204 1.00 0.00 H new ATOM 0 HG21 ILE A 4 3.265 -1.672 2.171 1.00 0.00 H new ATOM 0 HG22 ILE A 4 4.266 -1.751 3.640 1.00 0.00 H new ATOM 0 HG23 ILE A 4 3.123 -0.406 3.413 1.00 0.00 H new ATOM 0 HD11 ILE A 4 4.211 0.667 -1.052 1.00 0.00 H new ATOM 0 HD12 ILE A 4 5.774 0.162 -0.368 1.00 0.00 H new ATOM 0 HD13 ILE A 4 4.408 -0.977 -0.400 1.00 0.00 H new ATOM 63 N ASP A 5 7.450 1.674 1.848 1.00 0.00 N ATOM 64 CA ASP A 5 8.168 2.795 1.265 1.00 0.00 C ATOM 65 C ASP A 5 8.364 2.565 -0.227 1.00 0.00 C ATOM 66 O ASP A 5 9.476 2.580 -0.747 1.00 0.00 O ATOM 67 CB ASP A 5 9.478 2.974 2.024 1.00 0.00 C ATOM 68 CG ASP A 5 9.230 3.579 3.399 1.00 0.00 C ATOM 69 OD1 ASP A 5 8.699 4.711 3.428 1.00 0.00 O ATOM 70 OD2 ASP A 5 9.544 2.890 4.392 1.00 0.00 O ATOM 0 H ASP A 5 7.863 0.766 1.638 1.00 0.00 H new ATOM 0 HA ASP A 5 7.600 3.721 1.358 1.00 0.00 H new ATOM 0 HB2 ASP A 5 9.976 2.010 2.131 1.00 0.00 H new ATOM 0 HB3 ASP A 5 10.148 3.618 1.454 1.00 0.00 H new ATOM 74 N VAL A 6 7.242 2.371 -0.920 1.00 0.00 N ATOM 75 CA VAL A 6 7.169 2.400 -2.374 1.00 0.00 C ATOM 76 C VAL A 6 6.046 3.358 -2.778 1.00 0.00 C ATOM 77 O VAL A 6 5.033 3.468 -2.086 1.00 0.00 O ATOM 78 CB VAL A 6 6.989 0.985 -2.959 1.00 0.00 C ATOM 79 CG1 VAL A 6 7.013 1.013 -4.492 1.00 0.00 C ATOM 80 CG2 VAL A 6 8.105 0.048 -2.474 1.00 0.00 C ATOM 0 H VAL A 6 6.343 2.186 -0.474 1.00 0.00 H new ATOM 0 HA VAL A 6 8.108 2.766 -2.790 1.00 0.00 H new ATOM 0 HB VAL A 6 6.022 0.618 -2.616 1.00 0.00 H new ATOM 0 HG11 VAL A 6 6.884 0.001 -4.876 1.00 0.00 H new ATOM 0 HG12 VAL A 6 6.204 1.646 -4.857 1.00 0.00 H new ATOM 0 HG13 VAL A 6 7.968 1.412 -4.834 1.00 0.00 H new ATOM 0 HG21 VAL A 6 7.957 -0.945 -2.900 1.00 0.00 H new ATOM 0 HG22 VAL A 6 9.072 0.439 -2.792 1.00 0.00 H new ATOM 0 HG23 VAL A 6 8.079 -0.016 -1.386 1.00 0.00 H new ATOM 90 N LYS A 7 6.267 4.079 -3.879 1.00 0.00 N ATOM 91 CA LYS A 7 5.397 5.129 -4.381 1.00 0.00 C ATOM 92 C LYS A 7 3.954 4.665 -4.606 1.00 0.00 C ATOM 93 O LYS A 7 3.716 3.651 -5.257 1.00 0.00 O ATOM 94 CB LYS A 7 6.004 5.749 -5.650 1.00 0.00 C ATOM 95 CG LYS A 7 6.168 4.743 -6.804 1.00 0.00 C ATOM 96 CD LYS A 7 6.993 5.315 -7.965 1.00 0.00 C ATOM 97 CE LYS A 7 6.271 6.472 -8.674 1.00 0.00 C ATOM 98 NZ LYS A 7 7.014 6.947 -9.861 1.00 0.00 N ATOM 0 H LYS A 7 7.091 3.937 -4.464 1.00 0.00 H new ATOM 0 HA LYS A 7 5.333 5.895 -3.609 1.00 0.00 H new ATOM 0 HB2 LYS A 7 5.371 6.572 -5.982 1.00 0.00 H new ATOM 0 HB3 LYS A 7 6.978 6.174 -5.408 1.00 0.00 H new ATOM 0 HG2 LYS A 7 6.650 3.840 -6.430 1.00 0.00 H new ATOM 0 HG3 LYS A 7 5.184 4.451 -7.170 1.00 0.00 H new ATOM 0 HD2 LYS A 7 7.954 5.665 -7.588 1.00 0.00 H new ATOM 0 HD3 LYS A 7 7.202 4.524 -8.685 1.00 0.00 H new ATOM 0 HE2 LYS A 7 5.276 6.147 -8.976 1.00 0.00 H new ATOM 0 HE3 LYS A 7 6.138 7.298 -7.976 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 6.492 7.727 -10.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 7.955 7.282 -9.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 7.119 6.166 -10.540 1.00 0.00 H new ATOM 108 N CYS A 8 2.994 5.458 -4.123 1.00 0.00 N ATOM 109 CA CYS A 8 1.596 5.355 -4.528 1.00 0.00 C ATOM 110 C CYS A 8 1.366 6.176 -5.781 1.00 0.00 C ATOM 111 O CYS A 8 1.856 7.302 -5.871 1.00 0.00 O ATOM 112 CB CYS A 8 0.666 5.835 -3.430 1.00 0.00 C ATOM 113 SG CYS A 8 -0.393 7.283 -3.674 1.00 0.00 S ATOM 0 H CYS A 8 3.169 6.192 -3.437 1.00 0.00 H new ATOM 0 HA CYS A 8 1.378 4.305 -4.725 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.012 5.000 -3.177 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.282 6.034 -2.553 1.00 0.00 H new ATOM 117 N PHE A 9 0.578 5.625 -6.707 1.00 0.00 N ATOM 118 CA PHE A 9 -0.177 6.413 -7.673 1.00 0.00 C ATOM 119 C PHE A 9 -1.569 6.724 -7.106 1.00 0.00 C ATOM 120 O PHE A 9 -2.230 7.656 -7.559 1.00 0.00 O ATOM 121 CB PHE A 9 -0.283 5.647 -9.002 1.00 0.00 C ATOM 122 CG PHE A 9 -0.039 6.506 -10.226 1.00 0.00 C ATOM 123 CD1 PHE A 9 1.261 6.957 -10.514 1.00 0.00 C ATOM 124 CD2 PHE A 9 -1.106 6.851 -11.077 1.00 0.00 C ATOM 125 CE1 PHE A 9 1.499 7.743 -11.655 1.00 0.00 C ATOM 126 CE2 PHE A 9 -0.865 7.632 -12.221 1.00 0.00 C ATOM 127 CZ PHE A 9 0.437 8.078 -12.512 1.00 0.00 C ATOM 0 H PHE A 9 0.448 4.618 -6.805 1.00 0.00 H new ATOM 0 HA PHE A 9 0.339 7.355 -7.862 1.00 0.00 H new ATOM 0 HB2 PHE A 9 0.436 4.827 -8.996 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -1.275 5.201 -9.075 1.00 0.00 H new ATOM 0 HD1 PHE A 9 2.079 6.699 -9.857 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -2.108 6.516 -10.852 1.00 0.00 H new ATOM 0 HE1 PHE A 9 2.498 8.089 -11.873 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -1.682 7.890 -12.878 1.00 0.00 H new ATOM 0 HZ PHE A 9 0.620 8.677 -13.392 1.00 0.00 H new ATOM 136 N ALA A 10 -2.016 5.934 -6.122 1.00 0.00 N ATOM 137 CA ALA A 10 -3.342 5.940 -5.532 1.00 0.00 C ATOM 138 C ALA A 10 -3.329 4.872 -4.438 1.00 0.00 C ATOM 139 O ALA A 10 -2.352 4.142 -4.319 1.00 0.00 O ATOM 140 CB ALA A 10 -4.386 5.586 -6.594 1.00 0.00 C ATOM 0 H ALA A 10 -1.414 5.230 -5.695 1.00 0.00 H new ATOM 0 HA ALA A 10 -3.594 6.920 -5.128 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -5.379 5.592 -6.144 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -4.348 6.319 -7.400 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -4.176 4.594 -6.995 1.00 0.00 H new ATOM 146 N SER A 11 -4.398 4.765 -3.646 1.00 0.00 N ATOM 147 CA SER A 11 -4.572 3.701 -2.659 1.00 0.00 C ATOM 148 C SER A 11 -4.675 2.320 -3.297 1.00 0.00 C ATOM 149 O SER A 11 -4.272 1.336 -2.679 1.00 0.00 O ATOM 150 CB SER A 11 -5.828 3.994 -1.836 1.00 0.00 C ATOM 151 OG SER A 11 -5.548 5.069 -0.955 1.00 0.00 O ATOM 0 H SER A 11 -5.176 5.424 -3.674 1.00 0.00 H new ATOM 0 HA SER A 11 -3.688 3.685 -2.021 1.00 0.00 H new ATOM 0 HB2 SER A 11 -6.660 4.249 -2.492 1.00 0.00 H new ATOM 0 HB3 SER A 11 -6.126 3.110 -1.272 1.00 0.00 H new ATOM 0 HG SER A 11 -4.990 5.731 -1.414 1.00 0.00 H new ATOM 156 N SER A 12 -5.253 2.229 -4.497 1.00 0.00 N ATOM 157 CA SER A 12 -5.545 0.963 -5.139 1.00 0.00 C ATOM 158 C SER A 12 -4.290 0.099 -5.225 1.00 0.00 C ATOM 159 O SER A 12 -4.236 -1.021 -4.735 1.00 0.00 O ATOM 160 CB SER A 12 -6.134 1.258 -6.523 1.00 0.00 C ATOM 161 OG SER A 12 -5.604 2.475 -7.038 1.00 0.00 O ATOM 0 H SER A 12 -5.530 3.042 -5.047 1.00 0.00 H new ATOM 0 HA SER A 12 -6.270 0.397 -4.554 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.907 0.438 -7.204 1.00 0.00 H new ATOM 0 HB3 SER A 12 -7.220 1.326 -6.456 1.00 0.00 H new ATOM 0 HG SER A 12 -4.735 2.302 -7.456 1.00 0.00 H new ATOM 166 N GLU A 13 -3.251 0.663 -5.809 1.00 0.00 N ATOM 167 CA GLU A 13 -1.899 0.202 -5.838 1.00 0.00 C ATOM 168 C GLU A 13 -1.465 -0.551 -4.582 1.00 0.00 C ATOM 169 O GLU A 13 -0.982 -1.671 -4.678 1.00 0.00 O ATOM 170 CB GLU A 13 -1.088 1.480 -5.899 1.00 0.00 C ATOM 171 CG GLU A 13 -0.685 1.882 -7.324 1.00 0.00 C ATOM 172 CD GLU A 13 -1.850 2.425 -8.156 1.00 0.00 C ATOM 173 OE1 GLU A 13 -2.980 2.521 -7.617 1.00 0.00 O ATOM 174 OE2 GLU A 13 -1.577 2.762 -9.323 1.00 0.00 O ATOM 0 H GLU A 13 -3.355 1.539 -6.321 1.00 0.00 H new ATOM 0 HA GLU A 13 -1.768 -0.494 -6.667 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -1.665 2.289 -5.451 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.188 1.359 -5.296 1.00 0.00 H new ATOM 0 HG2 GLU A 13 0.098 2.638 -7.272 1.00 0.00 H new ATOM 0 HG3 GLU A 13 -0.259 1.016 -7.831 1.00 0.00 H new ATOM 179 N CYS A 14 -1.570 0.101 -3.422 1.00 0.00 N ATOM 180 CA CYS A 14 -1.143 -0.379 -2.127 1.00 0.00 C ATOM 181 C CYS A 14 -1.771 -1.727 -1.851 1.00 0.00 C ATOM 182 O CYS A 14 -1.223 -2.551 -1.123 1.00 0.00 O ATOM 183 CB CYS A 14 -1.652 0.557 -1.036 1.00 0.00 C ATOM 184 SG CYS A 14 -1.467 2.317 -1.233 1.00 0.00 S ATOM 0 H CYS A 14 -1.981 1.033 -3.370 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.054 -0.436 -2.129 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.714 0.354 -0.901 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.153 0.278 -0.108 1.00 0.00 H new ATOM 188 N TRP A 15 -2.953 -1.916 -2.434 1.00 0.00 N ATOM 189 CA TRP A 15 -3.693 -3.150 -2.267 1.00 0.00 C ATOM 190 C TRP A 15 -2.881 -4.228 -2.960 1.00 0.00 C ATOM 191 O TRP A 15 -2.303 -5.093 -2.306 1.00 0.00 O ATOM 192 CB TRP A 15 -5.112 -3.075 -2.839 1.00 0.00 C ATOM 193 CG TRP A 15 -6.023 -1.992 -2.367 1.00 0.00 C ATOM 194 CD1 TRP A 15 -5.741 -1.111 -1.394 1.00 0.00 C ATOM 195 CD2 TRP A 15 -7.342 -1.624 -2.865 1.00 0.00 C ATOM 196 NE1 TRP A 15 -6.807 -0.259 -1.212 1.00 0.00 N ATOM 197 CE2 TRP A 15 -7.822 -0.514 -2.108 1.00 0.00 C ATOM 198 CE3 TRP A 15 -8.182 -2.111 -3.885 1.00 0.00 C ATOM 199 CZ2 TRP A 15 -9.070 0.076 -2.341 1.00 0.00 C ATOM 200 CZ3 TRP A 15 -9.432 -1.516 -4.146 1.00 0.00 C ATOM 201 CH2 TRP A 15 -9.882 -0.433 -3.372 1.00 0.00 C ATOM 0 H TRP A 15 -3.414 -1.225 -3.026 1.00 0.00 H new ATOM 0 HA TRP A 15 -3.827 -3.363 -1.207 1.00 0.00 H new ATOM 0 HB2 TRP A 15 -5.027 -2.985 -3.922 1.00 0.00 H new ATOM 0 HB3 TRP A 15 -5.600 -4.028 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 15 -4.816 -1.076 -0.837 1.00 0.00 H new ATOM 0 HE1 TRP A 15 -6.841 0.471 -0.501 1.00 0.00 H new ATOM 0 HE3 TRP A 15 -7.862 -2.955 -4.478 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 -9.404 0.908 -1.739 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 -10.049 -1.895 -4.947 1.00 0.00 H new ATOM 0 HH2 TRP A 15 -10.848 0.008 -3.568 1.00 0.00 H new ATOM 211 N THR A 16 -2.776 -4.127 -4.286 1.00 0.00 N ATOM 212 CA THR A 16 -1.956 -4.997 -5.102 1.00 0.00 C ATOM 213 C THR A 16 -0.526 -5.098 -4.551 1.00 0.00 C ATOM 214 O THR A 16 0.071 -6.162 -4.662 1.00 0.00 O ATOM 215 CB THR A 16 -1.997 -4.499 -6.554 1.00 0.00 C ATOM 216 OG1 THR A 16 -2.260 -3.111 -6.589 1.00 0.00 O ATOM 217 CG2 THR A 16 -3.127 -5.184 -7.326 1.00 0.00 C ATOM 0 H THR A 16 -3.274 -3.419 -4.826 1.00 0.00 H new ATOM 0 HA THR A 16 -2.355 -6.011 -5.075 1.00 0.00 H new ATOM 0 HB THR A 16 -1.030 -4.726 -7.003 1.00 0.00 H new ATOM 0 HG1 THR A 16 -1.670 -2.650 -5.956 1.00 0.00 H new ATOM 0 HG21 THR A 16 -3.140 -4.818 -8.353 1.00 0.00 H new ATOM 0 HG22 THR A 16 -2.966 -6.262 -7.327 1.00 0.00 H new ATOM 0 HG23 THR A 16 -4.081 -4.960 -6.849 1.00 0.00 H new ATOM 225 N ALA A 17 0.019 -4.044 -3.929 1.00 0.00 N ATOM 226 CA ALA A 17 1.329 -4.139 -3.302 1.00 0.00 C ATOM 227 C ALA A 17 1.292 -5.180 -2.186 1.00 0.00 C ATOM 228 O ALA A 17 2.041 -6.156 -2.204 1.00 0.00 O ATOM 229 CB ALA A 17 1.806 -2.765 -2.808 1.00 0.00 C ATOM 0 H ALA A 17 -0.426 -3.130 -3.851 1.00 0.00 H new ATOM 0 HA ALA A 17 2.059 -4.469 -4.041 1.00 0.00 H new ATOM 0 HB1 ALA A 17 2.787 -2.866 -2.344 1.00 0.00 H new ATOM 0 HB2 ALA A 17 1.872 -2.078 -3.652 1.00 0.00 H new ATOM 0 HB3 ALA A 17 1.097 -2.375 -2.077 1.00 0.00 H new ATOM 235 N CYS A 18 0.383 -5.001 -1.227 1.00 0.00 N ATOM 236 CA CYS A 18 0.243 -5.931 -0.117 1.00 0.00 C ATOM 237 C CYS A 18 -0.100 -7.328 -0.614 1.00 0.00 C ATOM 238 O CYS A 18 0.326 -8.327 -0.040 1.00 0.00 O ATOM 239 CB CYS A 18 -0.805 -5.437 0.877 1.00 0.00 C ATOM 240 SG CYS A 18 -0.357 -5.869 2.581 1.00 0.00 S ATOM 0 H CYS A 18 -0.268 -4.216 -1.201 1.00 0.00 H new ATOM 0 HA CYS A 18 1.202 -5.984 0.398 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -0.910 -4.356 0.790 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.774 -5.872 0.633 1.00 0.00 H new ATOM 244 N LYS A 19 -0.868 -7.420 -1.700 1.00 0.00 N ATOM 245 CA LYS A 19 -1.198 -8.691 -2.296 1.00 0.00 C ATOM 246 C LYS A 19 0.050 -9.392 -2.820 1.00 0.00 C ATOM 247 O LYS A 19 0.321 -10.542 -2.492 1.00 0.00 O ATOM 248 CB LYS A 19 -2.184 -8.453 -3.438 1.00 0.00 C ATOM 249 CG LYS A 19 -3.534 -8.066 -2.886 1.00 0.00 C ATOM 250 CD LYS A 19 -4.713 -8.277 -3.846 1.00 0.00 C ATOM 251 CE LYS A 19 -5.138 -9.757 -3.873 1.00 0.00 C ATOM 252 NZ LYS A 19 -6.380 -9.976 -4.642 1.00 0.00 N ATOM 0 H LYS A 19 -1.271 -6.615 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 19 -1.646 -9.335 -1.540 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.811 -7.665 -4.093 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.275 -9.355 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -3.717 -8.641 -1.978 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -3.504 -7.015 -2.597 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -5.555 -7.658 -3.537 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -4.433 -7.956 -4.849 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -4.336 -10.354 -4.307 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -5.280 -10.109 -2.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -6.622 -10.987 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -7.154 -9.429 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -6.239 -9.666 -5.625 1.00 0.00 H new ATOM 262 N LYS A 20 0.790 -8.685 -3.667 1.00 0.00 N ATOM 263 CA LYS A 20 2.027 -9.181 -4.251 1.00 0.00 C ATOM 264 C LYS A 20 3.037 -9.580 -3.172 1.00 0.00 C ATOM 265 O LYS A 20 3.732 -10.579 -3.341 1.00 0.00 O ATOM 266 CB LYS A 20 2.617 -8.149 -5.220 1.00 0.00 C ATOM 267 CG LYS A 20 1.803 -7.987 -6.514 1.00 0.00 C ATOM 268 CD LYS A 20 1.981 -9.177 -7.467 1.00 0.00 C ATOM 269 CE LYS A 20 1.283 -8.900 -8.807 1.00 0.00 C ATOM 270 NZ LYS A 20 1.436 -10.023 -9.757 1.00 0.00 N ATOM 0 H LYS A 20 0.544 -7.742 -3.969 1.00 0.00 H new ATOM 0 HA LYS A 20 1.794 -10.082 -4.819 1.00 0.00 H new ATOM 0 HB2 LYS A 20 2.680 -7.184 -4.717 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.635 -8.443 -5.475 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.747 -7.878 -6.265 1.00 0.00 H new ATOM 0 HG3 LYS A 20 2.107 -7.071 -7.020 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.042 -9.362 -7.634 1.00 0.00 H new ATOM 0 HD3 LYS A 20 1.568 -10.078 -7.014 1.00 0.00 H new ATOM 0 HE2 LYS A 20 0.223 -8.716 -8.632 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.695 -7.993 -9.249 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 0.950 -9.793 -10.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.446 -10.183 -9.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 1.020 -10.883 -9.347 1.00 0.00 H new ATOM 280 N VAL A 21 3.140 -8.818 -2.081 1.00 0.00 N ATOM 281 CA VAL A 21 4.037 -9.079 -0.997 1.00 0.00 C ATOM 282 C VAL A 21 3.518 -10.267 -0.190 1.00 0.00 C ATOM 283 O VAL A 21 4.166 -11.311 -0.163 1.00 0.00 O ATOM 284 CB VAL A 21 4.042 -7.775 -0.204 1.00 0.00 C ATOM 285 CG1 VAL A 21 4.632 -7.933 1.163 1.00 0.00 C ATOM 286 CG2 VAL A 21 4.824 -6.693 -0.953 1.00 0.00 C ATOM 0 H VAL A 21 2.575 -7.980 -1.941 1.00 0.00 H new ATOM 0 HA VAL A 21 5.048 -9.351 -1.302 1.00 0.00 H new ATOM 0 HB VAL A 21 2.998 -7.482 -0.093 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.610 -6.975 1.682 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.053 -8.664 1.727 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.663 -8.275 1.077 1.00 0.00 H new ATOM 0 HG21 VAL A 21 4.816 -5.771 -0.372 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.853 -7.022 -1.098 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.360 -6.515 -1.923 1.00 0.00 H new ATOM 296 N THR A 22 2.384 -10.092 0.499 1.00 0.00 N ATOM 297 CA THR A 22 1.887 -11.059 1.460 1.00 0.00 C ATOM 298 C THR A 22 0.665 -11.815 0.935 1.00 0.00 C ATOM 299 O THR A 22 0.506 -12.998 1.220 1.00 0.00 O ATOM 300 CB THR A 22 1.560 -10.395 2.808 1.00 0.00 C ATOM 301 OG1 THR A 22 1.083 -9.078 2.611 1.00 0.00 O ATOM 302 CG2 THR A 22 2.775 -10.387 3.744 1.00 0.00 C ATOM 0 H THR A 22 1.790 -9.269 0.399 1.00 0.00 H new ATOM 0 HA THR A 22 2.688 -11.782 1.614 1.00 0.00 H new ATOM 0 HB THR A 22 0.777 -10.986 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.878 -8.671 3.479 1.00 0.00 H new ATOM 0 HG21 THR A 22 2.505 -9.910 4.686 1.00 0.00 H new ATOM 0 HG22 THR A 22 3.094 -11.412 3.934 1.00 0.00 H new ATOM 0 HG23 THR A 22 3.590 -9.834 3.277 1.00 0.00 H new ATOM 310 N GLY A 23 -0.239 -11.106 0.252 1.00 0.00 N ATOM 311 CA GLY A 23 -1.579 -11.578 -0.088 1.00 0.00 C ATOM 312 C GLY A 23 -2.649 -10.698 0.567 1.00 0.00 C ATOM 313 O GLY A 23 -3.816 -10.726 0.171 1.00 0.00 O ATOM 0 H GLY A 23 -0.051 -10.163 -0.087 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -1.708 -11.570 -1.170 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -1.700 -12.610 0.240 1.00 0.00 H new ATOM 317 N SER A 24 -2.261 -9.896 1.561 1.00 0.00 N ATOM 318 CA SER A 24 -3.173 -9.212 2.470 1.00 0.00 C ATOM 319 C SER A 24 -3.696 -7.931 1.823 1.00 0.00 C ATOM 320 O SER A 24 -3.412 -6.839 2.306 1.00 0.00 O ATOM 321 CB SER A 24 -2.438 -8.934 3.790 1.00 0.00 C ATOM 322 OG SER A 24 -3.240 -8.150 4.646 1.00 0.00 O ATOM 0 H SER A 24 -1.279 -9.702 1.758 1.00 0.00 H new ATOM 0 HA SER A 24 -4.039 -9.838 2.684 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.187 -9.875 4.278 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.499 -8.419 3.589 1.00 0.00 H new ATOM 0 HG SER A 24 -3.487 -7.317 4.192 1.00 0.00 H new ATOM 327 N GLY A 25 -4.455 -8.062 0.738 1.00 0.00 N ATOM 328 CA GLY A 25 -4.686 -6.994 -0.227 1.00 0.00 C ATOM 329 C GLY A 25 -5.567 -5.813 0.205 1.00 0.00 C ATOM 330 O GLY A 25 -6.349 -5.335 -0.613 1.00 0.00 O ATOM 0 H GLY A 25 -4.935 -8.930 0.502 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.716 -6.596 -0.524 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.134 -7.438 -1.116 1.00 0.00 H new ATOM 334 N GLN A 26 -5.483 -5.335 1.451 1.00 0.00 N ATOM 335 CA GLN A 26 -6.265 -4.241 1.991 1.00 0.00 C ATOM 336 C GLN A 26 -5.308 -3.144 2.463 1.00 0.00 C ATOM 337 O GLN A 26 -4.557 -3.363 3.412 1.00 0.00 O ATOM 338 CB GLN A 26 -7.086 -4.773 3.169 1.00 0.00 C ATOM 339 CG GLN A 26 -7.858 -6.022 2.746 1.00 0.00 C ATOM 340 CD GLN A 26 -8.866 -6.459 3.803 1.00 0.00 C ATOM 341 OE1 GLN A 26 -8.685 -7.482 4.454 1.00 0.00 O ATOM 342 NE2 GLN A 26 -9.934 -5.691 3.987 1.00 0.00 N ATOM 0 H GLN A 26 -4.835 -5.725 2.135 1.00 0.00 H new ATOM 0 HA GLN A 26 -6.937 -3.829 1.238 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -6.427 -5.008 4.005 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -7.779 -4.007 3.515 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -8.379 -5.826 1.809 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -7.156 -6.835 2.557 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -10.056 -4.846 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -10.632 -5.947 4.686 1.00 0.00 H new ATOM 349 N GLY A 27 -5.324 -1.973 1.826 1.00 0.00 N ATOM 350 CA GLY A 27 -4.385 -0.907 2.142 1.00 0.00 C ATOM 351 C GLY A 27 -4.912 0.451 1.699 1.00 0.00 C ATOM 352 O GLY A 27 -6.038 0.553 1.212 1.00 0.00 O ATOM 0 H GLY A 27 -5.984 -1.742 1.083 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -4.197 -0.893 3.216 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -3.431 -1.105 1.654 1.00 0.00 H new ATOM 356 N LYS A 28 -4.115 1.500 1.894 1.00 0.00 N ATOM 357 CA LYS A 28 -4.423 2.866 1.493 1.00 0.00 C ATOM 358 C LYS A 28 -3.095 3.573 1.274 1.00 0.00 C ATOM 359 O LYS A 28 -2.124 3.258 1.969 1.00 0.00 O ATOM 360 CB LYS A 28 -5.236 3.596 2.580 1.00 0.00 C ATOM 361 CG LYS A 28 -6.556 2.899 2.941 1.00 0.00 C ATOM 362 CD LYS A 28 -7.351 3.691 3.984 1.00 0.00 C ATOM 363 CE LYS A 28 -8.632 2.922 4.343 1.00 0.00 C ATOM 364 NZ LYS A 28 -9.410 3.585 5.413 1.00 0.00 N ATOM 0 H LYS A 28 -3.207 1.416 2.351 1.00 0.00 H new ATOM 0 HA LYS A 28 -5.027 2.865 0.586 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.626 3.685 3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.452 4.609 2.240 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.159 2.775 2.042 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.347 1.901 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.746 3.847 4.877 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -7.603 4.677 3.593 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -9.254 2.824 3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.369 1.913 4.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.264 3.027 5.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -8.828 3.656 6.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.686 4.538 5.102 1.00 0.00 H new ATOM 374 N CYS A 29 -3.036 4.486 0.300 1.00 0.00 N ATOM 375 CA CYS A 29 -1.808 5.217 0.058 1.00 0.00 C ATOM 376 C CYS A 29 -1.798 6.462 0.931 1.00 0.00 C ATOM 377 O CYS A 29 -2.827 6.868 1.473 1.00 0.00 O ATOM 378 CB CYS A 29 -1.553 5.572 -1.409 1.00 0.00 C ATOM 379 SG CYS A 29 -1.592 7.301 -1.956 1.00 0.00 S ATOM 0 H CYS A 29 -3.811 4.727 -0.317 1.00 0.00 H new ATOM 0 HA CYS A 29 -0.987 4.551 0.323 1.00 0.00 H new ATOM 0 HB2 CYS A 29 -0.573 5.173 -1.671 1.00 0.00 H new ATOM 0 HB3 CYS A 29 -2.287 5.029 -2.004 1.00 0.00 H new ATOM 383 N GLN A 30 -0.632 7.083 1.048 1.00 0.00 N ATOM 384 CA GLN A 30 -0.443 8.362 1.683 1.00 0.00 C ATOM 385 C GLN A 30 0.537 9.116 0.802 1.00 0.00 C ATOM 386 O GLN A 30 1.667 8.662 0.645 1.00 0.00 O ATOM 387 CB GLN A 30 0.140 8.114 3.077 1.00 0.00 C ATOM 388 CG GLN A 30 0.150 9.399 3.914 1.00 0.00 C ATOM 389 CD GLN A 30 0.342 9.144 5.410 1.00 0.00 C ATOM 390 OE1 GLN A 30 0.524 8.015 5.864 1.00 0.00 O ATOM 391 NE2 GLN A 30 0.273 10.205 6.207 1.00 0.00 N ATOM 0 H GLN A 30 0.236 6.687 0.686 1.00 0.00 H new ATOM 0 HA GLN A 30 -1.365 8.932 1.797 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -0.446 7.350 3.588 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.156 7.729 2.985 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.948 10.050 3.558 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.788 9.932 3.761 1.00 0.00 H new ATOM 0 HE21 GLN A 30 0.122 11.132 5.810 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.372 10.092 7.216 1.00 0.00 H new ATOM 398 N ASN A 31 0.137 10.256 0.232 1.00 0.00 N ATOM 399 CA ASN A 31 1.029 11.143 -0.501 1.00 0.00 C ATOM 400 C ASN A 31 1.588 10.438 -1.744 1.00 0.00 C ATOM 401 O ASN A 31 0.982 10.501 -2.810 1.00 0.00 O ATOM 402 CB ASN A 31 2.117 11.676 0.458 1.00 0.00 C ATOM 403 CG ASN A 31 1.567 12.677 1.470 1.00 0.00 C ATOM 404 OD1 ASN A 31 0.548 13.321 1.243 1.00 0.00 O ATOM 405 ND2 ASN A 31 2.225 12.809 2.618 1.00 0.00 N ATOM 0 H ASN A 31 -0.827 10.588 0.270 1.00 0.00 H new ATOM 0 HA ASN A 31 0.484 12.009 -0.877 1.00 0.00 H new ATOM 0 HB2 ASN A 31 2.570 10.839 0.990 1.00 0.00 H new ATOM 0 HB3 ASN A 31 2.908 12.150 -0.123 1.00 0.00 H new ATOM 0 HD21 ASN A 31 1.884 13.455 3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 31 3.070 12.264 2.787 1.00 0.00 H new ATOM 411 N ASN A 32 2.722 9.752 -1.587 1.00 0.00 N ATOM 412 CA ASN A 32 3.320 8.811 -2.534 1.00 0.00 C ATOM 413 C ASN A 32 4.153 7.823 -1.719 1.00 0.00 C ATOM 414 O ASN A 32 5.337 7.621 -1.968 1.00 0.00 O ATOM 415 CB ASN A 32 4.185 9.501 -3.600 1.00 0.00 C ATOM 416 CG ASN A 32 3.446 10.481 -4.450 1.00 0.00 C ATOM 417 OD1 ASN A 32 3.634 11.692 -4.370 1.00 0.00 O ATOM 418 ND2 ASN A 32 2.521 9.963 -5.206 1.00 0.00 N ATOM 0 H ASN A 32 3.283 9.846 -0.740 1.00 0.00 H new ATOM 0 HA ASN A 32 2.527 8.306 -3.086 1.00 0.00 H new ATOM 0 HB2 ASN A 32 5.009 10.015 -3.105 1.00 0.00 H new ATOM 0 HB3 ASN A 32 4.625 8.739 -4.243 1.00 0.00 H new ATOM 0 HD21 ASN A 32 1.918 10.569 -5.762 1.00 0.00 H new ATOM 0 HD22 ASN A 32 2.400 8.951 -5.242 1.00 0.00 H new ATOM 424 N GLN A 33 3.502 7.219 -0.732 1.00 0.00 N ATOM 425 CA GLN A 33 3.948 6.142 0.132 1.00 0.00 C ATOM 426 C GLN A 33 2.674 5.310 0.334 1.00 0.00 C ATOM 427 O GLN A 33 1.592 5.793 -0.015 1.00 0.00 O ATOM 428 CB GLN A 33 4.456 6.770 1.445 1.00 0.00 C ATOM 429 CG GLN A 33 5.094 5.779 2.425 1.00 0.00 C ATOM 430 CD GLN A 33 5.449 6.436 3.756 1.00 0.00 C ATOM 431 OE1 GLN A 33 4.624 7.138 4.336 1.00 0.00 O ATOM 432 NE2 GLN A 33 6.654 6.227 4.272 1.00 0.00 N ATOM 0 H GLN A 33 2.551 7.504 -0.496 1.00 0.00 H new ATOM 0 HA GLN A 33 4.761 5.530 -0.258 1.00 0.00 H new ATOM 0 HB2 GLN A 33 5.186 7.542 1.204 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.621 7.265 1.942 1.00 0.00 H new ATOM 0 HG2 GLN A 33 4.407 4.951 2.602 1.00 0.00 H new ATOM 0 HG3 GLN A 33 5.994 5.357 1.978 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.326 5.641 3.777 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.908 6.652 5.164 1.00 0.00 H new ATOM 439 N CYS A 34 2.734 4.081 0.850 1.00 0.00 N ATOM 440 CA CYS A 34 1.545 3.246 0.931 1.00 0.00 C ATOM 441 C CYS A 34 1.562 2.433 2.206 1.00 0.00 C ATOM 442 O CYS A 34 2.610 2.275 2.830 1.00 0.00 O ATOM 443 CB CYS A 34 1.471 2.337 -0.300 1.00 0.00 C ATOM 444 SG CYS A 34 0.483 2.650 -1.773 1.00 0.00 S ATOM 0 H CYS A 34 3.584 3.650 1.213 1.00 0.00 H new ATOM 0 HA CYS A 34 0.658 3.879 0.949 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.498 2.226 -0.649 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.153 1.362 0.069 1.00 0.00 H new ATOM 448 N ARG A 35 0.379 1.982 2.632 1.00 0.00 N ATOM 449 CA ARG A 35 0.192 1.334 3.916 1.00 0.00 C ATOM 450 C ARG A 35 -0.822 0.223 3.746 1.00 0.00 C ATOM 451 O ARG A 35 -1.656 0.268 2.840 1.00 0.00 O ATOM 452 CB ARG A 35 -0.241 2.343 4.996 1.00 0.00 C ATOM 453 CG ARG A 35 0.689 3.552 4.917 1.00 0.00 C ATOM 454 CD ARG A 35 0.429 4.720 5.857 1.00 0.00 C ATOM 455 NE ARG A 35 0.879 4.334 7.176 1.00 0.00 N ATOM 456 CZ ARG A 35 1.182 5.164 8.189 1.00 0.00 C ATOM 457 NH1 ARG A 35 1.052 6.489 8.039 1.00 0.00 N ATOM 458 NH2 ARG A 35 1.624 4.664 9.347 1.00 0.00 N ATOM 0 H ARG A 35 -0.478 2.061 2.085 1.00 0.00 H new ATOM 0 HA ARG A 35 1.137 0.911 4.257 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -1.276 2.648 4.839 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -0.190 1.887 5.985 1.00 0.00 H new ATOM 0 HG2 ARG A 35 1.706 3.202 5.094 1.00 0.00 H new ATOM 0 HG3 ARG A 35 0.655 3.932 3.896 1.00 0.00 H new ATOM 0 HD2 ARG A 35 0.960 5.609 5.517 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -0.632 4.969 5.873 1.00 0.00 H new ATOM 0 HE ARG A 35 0.976 3.335 7.355 1.00 0.00 H new ATOM 0 HH11 ARG A 35 0.722 6.872 7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 35 1.283 7.115 8.811 1.00 0.00 H new ATOM 0 HH21 ARG A 35 1.730 3.656 9.460 1.00 0.00 H new ATOM 0 HH22 ARG A 35 1.855 5.291 10.118 1.00 0.00 H new ATOM 469 N CYS A 36 -0.721 -0.774 4.618 1.00 0.00 N ATOM 470 CA CYS A 36 -1.492 -2.010 4.535 1.00 0.00 C ATOM 471 C CYS A 36 -2.079 -2.354 5.896 1.00 0.00 C ATOM 472 O CYS A 36 -1.437 -2.117 6.918 1.00 0.00 O ATOM 473 CB CYS A 36 -0.651 -3.151 3.964 1.00 0.00 C ATOM 474 SG CYS A 36 -1.599 -4.677 3.750 1.00 0.00 S ATOM 0 H CYS A 36 -0.089 -0.746 5.418 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.321 -1.860 3.844 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -0.238 -2.847 3.002 1.00 0.00 H new ATOM 0 HB3 CYS A 36 0.193 -3.342 4.627 1.00 0.00 H new ATOM 478 N TYR A 37 -3.318 -2.847 5.900 1.00 0.00 N ATOM 479 CA TYR A 37 -4.195 -2.922 7.058 1.00 0.00 C ATOM 480 C TYR A 37 -4.583 -4.378 7.321 1.00 0.00 C ATOM 481 O TYR A 37 -5.218 -4.680 8.330 1.00 0.00 O ATOM 482 CB TYR A 37 -5.412 -2.034 6.754 1.00 0.00 C ATOM 483 CG TYR A 37 -6.511 -2.042 7.795 1.00 0.00 C ATOM 484 CD1 TYR A 37 -6.323 -1.396 9.031 1.00 0.00 C ATOM 485 CD2 TYR A 37 -7.727 -2.699 7.527 1.00 0.00 C ATOM 486 CE1 TYR A 37 -7.351 -1.401 9.990 1.00 0.00 C ATOM 487 CE2 TYR A 37 -8.754 -2.699 8.483 1.00 0.00 C ATOM 488 CZ TYR A 37 -8.563 -2.058 9.720 1.00 0.00 C ATOM 489 OH TYR A 37 -9.570 -2.049 10.638 1.00 0.00 O ATOM 0 H TYR A 37 -3.752 -3.220 5.056 1.00 0.00 H new ATOM 0 HA TYR A 37 -3.707 -2.566 7.965 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -5.066 -1.008 6.626 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -5.838 -2.348 5.801 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.389 -0.896 9.243 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.870 -3.204 6.583 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -7.209 -0.899 10.936 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -9.691 -3.191 8.269 1.00 0.00 H new ATOM 0 HH TYR A 37 -10.336 -2.550 10.288 1.00 0.00 H new TER 498 TYR A 37