USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 263 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 27 LYS NZ :NH3+ 177:sc= 0.57 (180deg=0) USER MOD Set 1.2: A 36 TYR OH : rot 0:sc= -0.951 USER MOD Set 2.1: A 6 SER OG : rot 180:sc= 0.00636 USER MOD Set 2.2: A 31 SER OG : rot -56:sc= 0.773 USER MOD Single : A 3 THR OG1 : rot -57:sc= 0.107 USER MOD Single : A 4 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.37) USER MOD Single : A 8 SER OG : rot -50:sc= 0.79 USER MOD Single : A 10 SER OG : rot 180:sc= 0.394 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0741 USER MOD Single : A 12 GLN : amide:sc= -4.47! C(o=-4.5!,f=-5.3!) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= -0.0484 (180deg=-0.371) USER MOD Single : A 19 LYS NZ :NH3+ 162:sc= -0.0474 (180deg=-0.426) USER MOD Single : A 23 THR OG1 : rot 114:sc= 1.42 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -1.69 K(o=-1.7,f=-2.7) USER MOD Single : A 32 LYS NZ :NH3+ 142:sc= -0.0812 (180deg=-1.16) USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.800 -0.999 -1.304 1.00 1.00 N ATOM 16 CA PHE A 2 5.162 -1.569 -1.348 1.00 1.00 C ATOM 17 C PHE A 2 6.093 -0.709 -0.481 1.00 1.00 C ATOM 18 O PHE A 2 5.730 0.364 -0.068 1.00 1.00 O ATOM 19 CB PHE A 2 5.583 -1.542 -2.789 1.00 1.00 C ATOM 20 CG PHE A 2 5.439 -2.905 -3.483 1.00 1.00 C ATOM 21 CD1 PHE A 2 4.197 -3.502 -3.620 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.554 -3.550 -3.990 1.00 1.00 C ATOM 23 CE1 PHE A 2 4.073 -4.722 -4.253 1.00 1.00 C ATOM 24 CE2 PHE A 2 6.429 -4.768 -4.623 1.00 1.00 C ATOM 25 CZ PHE A 2 5.189 -5.353 -4.756 1.00 1.00 C ATOM 0 HA PHE A 2 5.199 -2.588 -0.962 1.00 1.00 H new ATOM 0 HB2 PHE A 2 4.984 -0.804 -3.323 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.621 -1.216 -2.852 1.00 1.00 H new ATOM 0 HD1 PHE A 2 3.319 -3.009 -3.229 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.529 -3.096 -3.889 1.00 1.00 H new ATOM 0 HE1 PHE A 2 3.101 -5.182 -4.354 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.304 -5.264 -5.015 1.00 1.00 H new ATOM 0 HZ PHE A 2 5.092 -6.306 -5.255 1.00 1.00 H new ATOM 35 N THR A 3 7.267 -1.226 -0.240 1.00 1.00 N ATOM 36 CA THR A 3 8.275 -0.485 0.581 1.00 1.00 C ATOM 37 C THR A 3 9.638 -0.578 -0.103 1.00 1.00 C ATOM 38 O THR A 3 9.772 -1.226 -1.124 1.00 1.00 O ATOM 39 CB THR A 3 8.382 -1.104 2.003 1.00 1.00 C ATOM 40 OG1 THR A 3 9.001 -2.372 1.836 1.00 1.00 O ATOM 41 CG2 THR A 3 6.991 -1.415 2.598 1.00 1.00 C ATOM 0 H THR A 3 7.576 -2.137 -0.578 1.00 1.00 H new ATOM 0 HA THR A 3 7.962 0.555 0.670 1.00 1.00 H new ATOM 0 HB THR A 3 8.916 -0.408 2.650 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.477 -2.912 1.208 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.109 -1.846 3.592 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.411 -0.495 2.668 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.470 -2.124 1.954 1.00 1.00 H new ATOM 49 N ASN A 4 10.606 0.070 0.475 1.00 1.00 N ATOM 50 CA ASN A 4 11.985 0.063 -0.086 1.00 1.00 C ATOM 51 C ASN A 4 12.992 -0.326 0.993 1.00 1.00 C ATOM 52 O ASN A 4 14.138 0.081 0.961 1.00 1.00 O ATOM 53 CB ASN A 4 12.253 1.463 -0.624 1.00 1.00 C ATOM 54 CG ASN A 4 13.538 1.488 -1.464 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.650 0.817 -2.472 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.531 2.244 -1.082 1.00 1.00 N ATOM 0 H ASN A 4 10.499 0.616 1.330 1.00 1.00 H new ATOM 0 HA ASN A 4 12.084 -0.670 -0.887 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.410 1.792 -1.231 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.341 2.165 0.205 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.392 2.269 -1.628 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.446 2.810 -0.238 1.00 1.00 H new ATOM 63 N VAL A 5 12.537 -1.121 1.929 1.00 1.00 N ATOM 64 CA VAL A 5 13.406 -1.577 3.033 1.00 1.00 C ATOM 65 C VAL A 5 13.398 -3.096 3.088 1.00 1.00 C ATOM 66 O VAL A 5 12.409 -3.725 2.769 1.00 1.00 O ATOM 67 CB VAL A 5 12.877 -1.014 4.339 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.105 0.505 4.396 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.370 -1.317 4.538 1.00 1.00 C ATOM 0 H VAL A 5 11.581 -1.474 1.967 1.00 1.00 H new ATOM 0 HA VAL A 5 14.427 -1.231 2.871 1.00 1.00 H new ATOM 0 HB VAL A 5 13.427 -1.502 5.144 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.721 0.896 5.338 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.172 0.716 4.324 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.584 0.982 3.566 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.036 -0.895 5.486 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.799 -0.874 3.722 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.214 -2.396 4.546 1.00 1.00 H new ATOM 79 N SER A 6 14.510 -3.636 3.502 1.00 1.00 N ATOM 80 CA SER A 6 14.619 -5.118 3.593 1.00 1.00 C ATOM 81 C SER A 6 13.769 -5.643 4.756 1.00 1.00 C ATOM 82 O SER A 6 13.549 -4.923 5.714 1.00 1.00 O ATOM 83 CB SER A 6 16.096 -5.498 3.799 1.00 1.00 C ATOM 84 OG SER A 6 16.097 -6.920 3.793 1.00 1.00 O ATOM 0 H SER A 6 15.344 -3.118 3.780 1.00 1.00 H new ATOM 0 HA SER A 6 14.251 -5.568 2.671 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.725 -5.096 3.004 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.481 -5.104 4.740 1.00 1.00 H new ATOM 0 HG SER A 6 17.012 -7.247 3.918 1.00 1.00 H new ATOM 90 N CYS A 7 13.317 -6.869 4.642 1.00 1.00 N ATOM 91 CA CYS A 7 12.484 -7.460 5.741 1.00 1.00 C ATOM 92 C CYS A 7 13.071 -8.778 6.228 1.00 1.00 C ATOM 93 O CYS A 7 13.896 -9.389 5.574 1.00 1.00 O ATOM 94 CB CYS A 7 11.055 -7.722 5.253 1.00 1.00 C ATOM 95 SG CYS A 7 10.806 -8.743 3.783 1.00 1.00 S ATOM 0 H CYS A 7 13.486 -7.482 3.844 1.00 1.00 H new ATOM 0 HA CYS A 7 12.475 -6.740 6.560 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.507 -8.186 6.073 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.589 -6.755 5.065 1.00 1.00 H new ATOM 100 N SER A 8 12.596 -9.150 7.385 1.00 1.00 N ATOM 101 CA SER A 8 13.027 -10.408 8.051 1.00 1.00 C ATOM 102 C SER A 8 11.761 -11.191 8.445 1.00 1.00 C ATOM 103 O SER A 8 11.782 -11.923 9.415 1.00 1.00 O ATOM 104 CB SER A 8 13.874 -10.020 9.283 1.00 1.00 C ATOM 105 OG SER A 8 14.363 -11.254 9.791 1.00 1.00 O ATOM 0 H SER A 8 11.905 -8.615 7.911 1.00 1.00 H new ATOM 0 HA SER A 8 13.632 -11.040 7.401 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.692 -9.354 9.007 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.274 -9.496 10.027 1.00 1.00 H new ATOM 0 HG SER A 8 13.619 -11.884 9.893 1.00 1.00 H new ATOM 111 N ALA A 9 10.719 -10.989 7.658 1.00 1.00 N ATOM 112 CA ALA A 9 9.357 -11.631 7.811 1.00 1.00 C ATOM 113 C ALA A 9 8.235 -10.588 7.851 1.00 1.00 C ATOM 114 O ALA A 9 8.469 -9.403 7.990 1.00 1.00 O ATOM 115 CB ALA A 9 9.215 -12.464 9.120 1.00 1.00 C ATOM 0 H ALA A 9 10.764 -10.358 6.858 1.00 1.00 H new ATOM 0 HA ALA A 9 9.270 -12.280 6.940 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.216 -12.897 9.169 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.957 -13.262 9.126 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.372 -11.816 9.982 1.00 1.00 H new ATOM 121 N SER A 10 7.034 -11.095 7.725 1.00 1.00 N ATOM 122 CA SER A 10 5.810 -10.239 7.738 1.00 1.00 C ATOM 123 C SER A 10 5.551 -9.672 9.137 1.00 1.00 C ATOM 124 O SER A 10 5.049 -8.574 9.280 1.00 1.00 O ATOM 125 CB SER A 10 4.607 -11.082 7.296 1.00 1.00 C ATOM 126 OG SER A 10 4.943 -11.499 5.982 1.00 1.00 O ATOM 0 H SER A 10 6.848 -12.091 7.611 1.00 1.00 H new ATOM 0 HA SER A 10 5.959 -9.404 7.054 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.452 -11.934 7.958 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.686 -10.499 7.306 1.00 1.00 H new ATOM 0 HG SER A 10 4.220 -12.052 5.619 1.00 1.00 H new ATOM 132 N SER A 11 5.901 -10.457 10.126 1.00 1.00 N ATOM 133 CA SER A 11 5.725 -10.064 11.537 1.00 1.00 C ATOM 134 C SER A 11 6.395 -8.727 11.832 1.00 1.00 C ATOM 135 O SER A 11 5.754 -7.785 12.253 1.00 1.00 O ATOM 136 CB SER A 11 6.299 -11.221 12.356 1.00 1.00 C ATOM 137 OG SER A 11 7.631 -11.407 11.896 1.00 1.00 O ATOM 0 H SER A 11 6.313 -11.381 9.997 1.00 1.00 H new ATOM 0 HA SER A 11 4.678 -9.901 11.792 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.283 -10.990 13.421 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.709 -12.127 12.218 1.00 1.00 H new ATOM 0 HG SER A 11 8.049 -12.141 12.393 1.00 1.00 H new ATOM 143 N GLN A 12 7.678 -8.695 11.593 1.00 1.00 N ATOM 144 CA GLN A 12 8.468 -7.457 11.829 1.00 1.00 C ATOM 145 C GLN A 12 8.127 -6.376 10.790 1.00 1.00 C ATOM 146 O GLN A 12 8.707 -5.309 10.817 1.00 1.00 O ATOM 147 CB GLN A 12 9.947 -7.861 11.786 1.00 1.00 C ATOM 148 CG GLN A 12 10.298 -8.549 10.458 1.00 1.00 C ATOM 149 CD GLN A 12 10.715 -7.513 9.402 1.00 1.00 C ATOM 150 OE1 GLN A 12 9.906 -6.996 8.657 1.00 1.00 O ATOM 151 NE2 GLN A 12 11.972 -7.179 9.314 1.00 1.00 N ATOM 0 H GLN A 12 8.217 -9.485 11.240 1.00 1.00 H new ATOM 0 HA GLN A 12 8.231 -7.016 12.797 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.572 -6.977 11.917 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.167 -8.533 12.616 1.00 1.00 H new ATOM 0 HG2 GLN A 12 11.108 -9.262 10.615 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.439 -9.116 10.099 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.658 -7.608 9.935 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.269 -6.489 8.624 1.00 1.00 H new ATOM 160 N CYS A 13 7.200 -6.687 9.912 1.00 1.00 N ATOM 161 CA CYS A 13 6.776 -5.720 8.856 1.00 1.00 C ATOM 162 C CYS A 13 5.484 -5.009 9.215 1.00 1.00 C ATOM 163 O CYS A 13 5.267 -3.924 8.719 1.00 1.00 O ATOM 164 CB CYS A 13 6.601 -6.460 7.526 1.00 1.00 C ATOM 165 SG CYS A 13 7.956 -6.205 6.365 1.00 1.00 S ATOM 0 H CYS A 13 6.715 -7.584 9.885 1.00 1.00 H new ATOM 0 HA CYS A 13 7.555 -4.963 8.770 1.00 1.00 H new ATOM 0 HB2 CYS A 13 6.502 -7.527 7.725 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.670 -6.135 7.060 1.00 1.00 H new ATOM 170 N TRP A 14 4.648 -5.593 10.041 1.00 1.00 N ATOM 171 CA TRP A 14 3.390 -4.900 10.404 1.00 1.00 C ATOM 172 C TRP A 14 3.719 -3.461 10.928 1.00 1.00 C ATOM 173 O TRP A 14 3.140 -2.510 10.442 1.00 1.00 O ATOM 174 CB TRP A 14 2.669 -5.715 11.487 1.00 1.00 C ATOM 175 CG TRP A 14 2.392 -7.185 11.125 1.00 1.00 C ATOM 176 CD1 TRP A 14 1.917 -7.640 9.934 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.561 -8.240 11.956 1.00 1.00 C ATOM 178 NE1 TRP A 14 1.825 -8.942 10.115 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.186 -9.407 11.297 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.013 -8.312 13.275 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.260 -10.638 11.943 1.00 1.00 C ATOM 182 CZ3 TRP A 14 3.088 -9.542 13.925 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.712 -10.707 13.259 1.00 1.00 C ATOM 0 H TRP A 14 4.787 -6.508 10.470 1.00 1.00 H new ATOM 0 HA TRP A 14 2.743 -4.812 9.531 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.267 -5.688 12.398 1.00 1.00 H new ATOM 0 HB3 TRP A 14 1.720 -5.228 11.714 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.673 -7.069 9.050 1.00 1.00 H new ATOM 0 HE1 TRP A 14 1.491 -9.561 9.377 1.00 1.00 H new ATOM 0 HE3 TRP A 14 3.306 -7.411 13.793 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.967 -11.539 11.424 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.438 -9.593 14.946 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.771 -11.661 13.762 1.00 1.00 H new ATOM 194 N PRO A 15 4.625 -3.322 11.886 1.00 1.00 N ATOM 195 CA PRO A 15 5.149 -1.993 12.330 1.00 1.00 C ATOM 196 C PRO A 15 5.748 -1.138 11.194 1.00 1.00 C ATOM 197 O PRO A 15 5.581 0.058 11.187 1.00 1.00 O ATOM 198 CB PRO A 15 6.175 -2.333 13.421 1.00 1.00 C ATOM 199 CG PRO A 15 6.621 -3.757 13.033 1.00 1.00 C ATOM 200 CD PRO A 15 5.288 -4.411 12.667 1.00 1.00 C ATOM 0 HA PRO A 15 4.343 -1.359 12.698 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.011 -1.633 13.423 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.732 -2.304 14.417 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.319 -3.753 12.196 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.116 -4.270 13.858 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.424 -5.316 12.075 1.00 1.00 H new ATOM 0 HD3 PRO A 15 4.713 -4.691 13.549 1.00 1.00 H new ATOM 208 N VAL A 16 6.432 -1.776 10.273 1.00 1.00 N ATOM 209 CA VAL A 16 7.051 -1.018 9.130 1.00 1.00 C ATOM 210 C VAL A 16 5.900 -0.344 8.373 1.00 1.00 C ATOM 211 O VAL A 16 5.893 0.848 8.198 1.00 1.00 O ATOM 212 CB VAL A 16 7.827 -2.018 8.223 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.416 -1.286 7.000 1.00 1.00 C ATOM 214 CG2 VAL A 16 8.990 -2.624 9.030 1.00 1.00 C ATOM 0 H VAL A 16 6.590 -2.784 10.260 1.00 1.00 H new ATOM 0 HA VAL A 16 7.760 -0.263 9.468 1.00 1.00 H new ATOM 0 HB VAL A 16 7.141 -2.795 7.886 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.956 -1.998 6.375 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.609 -0.835 6.422 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.100 -0.507 7.337 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.540 -3.326 8.404 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.659 -1.828 9.357 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.595 -3.147 9.901 1.00 1.00 H new ATOM 224 N CYS A 17 4.970 -1.163 7.955 1.00 1.00 N ATOM 225 CA CYS A 17 3.755 -0.703 7.206 1.00 1.00 C ATOM 226 C CYS A 17 3.125 0.426 7.998 1.00 1.00 C ATOM 227 O CYS A 17 2.769 1.452 7.461 1.00 1.00 O ATOM 228 CB CYS A 17 2.818 -1.899 7.092 1.00 1.00 C ATOM 229 SG CYS A 17 1.214 -1.801 6.257 1.00 1.00 S ATOM 0 H CYS A 17 5.002 -2.171 8.107 1.00 1.00 H new ATOM 0 HA CYS A 17 3.988 -0.337 6.206 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.380 -2.690 6.596 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.620 -2.239 8.109 1.00 1.00 H new ATOM 234 N LYS A 18 3.004 0.180 9.275 1.00 1.00 N ATOM 235 CA LYS A 18 2.413 1.183 10.194 1.00 1.00 C ATOM 236 C LYS A 18 3.143 2.528 10.146 1.00 1.00 C ATOM 237 O LYS A 18 2.521 3.571 10.151 1.00 1.00 O ATOM 238 CB LYS A 18 2.446 0.586 11.602 1.00 1.00 C ATOM 239 CG LYS A 18 1.668 1.449 12.597 1.00 1.00 C ATOM 240 CD LYS A 18 0.179 1.440 12.197 1.00 1.00 C ATOM 241 CE LYS A 18 -0.602 2.288 13.161 1.00 1.00 C ATOM 242 NZ LYS A 18 -0.559 1.714 14.537 1.00 1.00 N ATOM 0 H LYS A 18 3.296 -0.689 9.723 1.00 1.00 H new ATOM 0 HA LYS A 18 1.390 1.398 9.886 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.023 -0.418 11.582 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.480 0.490 11.933 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.790 1.063 13.609 1.00 1.00 H new ATOM 0 HG3 LYS A 18 2.054 2.468 12.596 1.00 1.00 H new ATOM 0 HD2 LYS A 18 0.061 1.821 11.183 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.204 0.419 12.201 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -0.196 3.299 13.173 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -1.637 2.364 12.827 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.317 2.133 15.112 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -0.691 0.684 14.488 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 0.362 1.924 14.972 1.00 1.00 H new ATOM 256 N LYS A 19 4.446 2.466 10.100 1.00 1.00 N ATOM 257 CA LYS A 19 5.256 3.719 10.051 1.00 1.00 C ATOM 258 C LYS A 19 5.098 4.427 8.693 1.00 1.00 C ATOM 259 O LYS A 19 4.943 5.630 8.627 1.00 1.00 O ATOM 260 CB LYS A 19 6.738 3.342 10.306 1.00 1.00 C ATOM 261 CG LYS A 19 7.674 4.576 10.220 1.00 1.00 C ATOM 262 CD LYS A 19 7.313 5.628 11.300 1.00 1.00 C ATOM 263 CE LYS A 19 8.261 6.835 11.186 1.00 1.00 C ATOM 264 NZ LYS A 19 8.091 7.504 9.868 1.00 1.00 N ATOM 0 H LYS A 19 4.986 1.601 10.094 1.00 1.00 H new ATOM 0 HA LYS A 19 4.909 4.414 10.815 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.831 2.884 11.291 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.053 2.596 9.576 1.00 1.00 H new ATOM 0 HG2 LYS A 19 8.709 4.260 10.348 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.598 5.026 9.230 1.00 1.00 H new ATOM 0 HD2 LYS A 19 6.280 5.952 11.175 1.00 1.00 H new ATOM 0 HD3 LYS A 19 7.390 5.185 12.293 1.00 1.00 H new ATOM 0 HE2 LYS A 19 8.057 7.543 11.989 1.00 1.00 H new ATOM 0 HE3 LYS A 19 9.294 6.507 11.304 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 8.490 8.464 9.912 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.585 6.957 9.135 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.079 7.560 9.635 1.00 1.00 H new ATOM 278 N LEU A 20 5.142 3.640 7.651 1.00 1.00 N ATOM 279 CA LEU A 20 5.019 4.121 6.261 1.00 1.00 C ATOM 280 C LEU A 20 3.655 4.630 5.782 1.00 1.00 C ATOM 281 O LEU A 20 3.554 5.747 5.310 1.00 1.00 O ATOM 282 CB LEU A 20 5.486 2.967 5.385 1.00 1.00 C ATOM 283 CG LEU A 20 6.948 2.542 5.684 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.257 1.296 4.837 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.932 3.668 5.316 1.00 1.00 C ATOM 0 H LEU A 20 5.265 2.630 7.723 1.00 1.00 H new ATOM 0 HA LEU A 20 5.621 5.027 6.196 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.826 2.113 5.534 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.403 3.255 4.337 1.00 1.00 H new ATOM 0 HG LEU A 20 7.059 2.331 6.748 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.281 0.972 5.026 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.568 0.495 5.104 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.142 1.537 3.780 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.950 3.347 5.534 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.843 3.896 4.254 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.700 4.559 5.899 1.00 1.00 H new ATOM 297 N PHE A 21 2.649 3.807 5.911 1.00 1.00 N ATOM 298 CA PHE A 21 1.285 4.144 5.485 1.00 1.00 C ATOM 299 C PHE A 21 0.380 4.521 6.654 1.00 1.00 C ATOM 300 O PHE A 21 -0.365 5.472 6.574 1.00 1.00 O ATOM 301 CB PHE A 21 0.843 2.899 4.743 1.00 1.00 C ATOM 302 CG PHE A 21 1.868 2.618 3.621 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.715 3.194 2.377 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.965 1.819 3.865 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.654 2.975 1.394 1.00 1.00 C ATOM 306 CE2 PHE A 21 3.904 1.597 2.885 1.00 1.00 C ATOM 307 CZ PHE A 21 3.748 2.178 1.652 1.00 1.00 C ATOM 0 H PHE A 21 2.736 2.874 6.315 1.00 1.00 H new ATOM 0 HA PHE A 21 1.236 5.034 4.858 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.783 2.051 5.425 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.153 3.040 4.322 1.00 1.00 H new ATOM 0 HD1 PHE A 21 0.857 3.818 2.174 1.00 1.00 H new ATOM 0 HD2 PHE A 21 3.088 1.363 4.836 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.533 3.428 0.421 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.759 0.969 3.085 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.485 2.010 0.881 1.00 1.00 H new ATOM 317 N GLY A 22 0.494 3.750 7.699 1.00 1.00 N ATOM 318 CA GLY A 22 -0.312 3.974 8.930 1.00 1.00 C ATOM 319 C GLY A 22 -1.162 2.731 9.170 1.00 1.00 C ATOM 320 O GLY A 22 -2.122 2.774 9.915 1.00 1.00 O ATOM 0 H GLY A 22 1.129 2.954 7.751 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.340 4.160 9.783 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.946 4.853 8.815 1.00 1.00 H new ATOM 324 N THR A 23 -0.778 1.655 8.525 1.00 1.00 N ATOM 325 CA THR A 23 -1.488 0.366 8.648 1.00 1.00 C ATOM 326 C THR A 23 -0.562 -0.651 9.304 1.00 1.00 C ATOM 327 O THR A 23 0.599 -0.703 8.983 1.00 1.00 O ATOM 328 CB THR A 23 -1.878 -0.028 7.239 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.799 0.295 6.371 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.087 0.760 6.720 1.00 1.00 C ATOM 0 H THR A 23 0.028 1.629 7.900 1.00 1.00 H new ATOM 0 HA THR A 23 -2.379 0.425 9.273 1.00 1.00 H new ATOM 0 HB THR A 23 -2.120 -1.091 7.258 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.414 -0.529 6.007 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.323 0.438 5.706 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.945 0.579 7.368 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.853 1.825 6.717 1.00 1.00 H new ATOM 338 N TYR A 24 -1.101 -1.452 10.186 1.00 1.00 N ATOM 339 CA TYR A 24 -0.263 -2.483 10.884 1.00 1.00 C ATOM 340 C TYR A 24 -0.530 -3.823 10.173 1.00 1.00 C ATOM 341 O TYR A 24 -0.588 -4.875 10.780 1.00 1.00 O ATOM 342 CB TYR A 24 -0.711 -2.486 12.375 1.00 1.00 C ATOM 343 CG TYR A 24 0.467 -2.796 13.302 1.00 1.00 C ATOM 344 CD1 TYR A 24 0.868 -4.085 13.580 1.00 1.00 C ATOM 345 CD2 TYR A 24 1.165 -1.750 13.867 1.00 1.00 C ATOM 346 CE1 TYR A 24 1.950 -4.315 14.405 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.243 -1.974 14.688 1.00 1.00 C ATOM 348 CZ TYR A 24 2.646 -3.260 14.964 1.00 1.00 C ATOM 349 OH TYR A 24 3.728 -3.491 15.786 1.00 1.00 O ATOM 0 H TYR A 24 -2.085 -1.440 10.456 1.00 1.00 H new ATOM 0 HA TYR A 24 0.809 -2.289 10.851 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.135 -1.516 12.633 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.497 -3.227 12.521 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.333 -4.919 13.150 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.858 -0.735 13.660 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.256 -5.329 14.616 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.776 -1.139 15.118 1.00 1.00 H new ATOM 0 HH TYR A 24 4.097 -2.635 16.089 1.00 1.00 H new ATOM 359 N ARG A 25 -0.678 -3.707 8.876 1.00 1.00 N ATOM 360 CA ARG A 25 -0.944 -4.821 7.966 1.00 1.00 C ATOM 361 C ARG A 25 0.096 -4.820 6.823 1.00 1.00 C ATOM 362 O ARG A 25 -0.179 -4.372 5.727 1.00 1.00 O ATOM 363 CB ARG A 25 -2.375 -4.553 7.539 1.00 1.00 C ATOM 364 CG ARG A 25 -2.830 -5.655 6.666 1.00 1.00 C ATOM 365 CD ARG A 25 -4.310 -5.443 6.281 1.00 1.00 C ATOM 366 NE ARG A 25 -4.411 -4.210 5.440 1.00 1.00 N ATOM 367 CZ ARG A 25 -5.025 -3.144 5.879 1.00 1.00 C ATOM 368 NH1 ARG A 25 -6.294 -3.208 6.172 1.00 1.00 N ATOM 369 NH2 ARG A 25 -4.340 -2.041 6.006 1.00 1.00 N ATOM 0 H ARG A 25 -0.617 -2.808 8.397 1.00 1.00 H new ATOM 0 HA ARG A 25 -0.850 -5.820 8.391 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -3.021 -4.474 8.414 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.438 -3.602 7.010 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -2.214 -5.697 5.768 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -2.712 -6.610 7.179 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -4.686 -6.307 5.733 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -4.923 -5.342 7.176 1.00 1.00 H new ATOM 0 HE ARG A 25 -3.994 -4.202 4.509 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -6.800 -4.086 6.058 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.781 -2.380 6.515 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -3.349 -2.025 5.765 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -4.795 -1.194 6.347 1.00 1.00 H new ATOM 383 N GLY A 26 1.279 -5.306 7.108 1.00 1.00 N ATOM 384 CA GLY A 26 2.374 -5.372 6.109 1.00 1.00 C ATOM 385 C GLY A 26 2.923 -6.790 6.089 1.00 1.00 C ATOM 386 O GLY A 26 2.872 -7.517 7.063 1.00 1.00 O ATOM 0 H GLY A 26 1.532 -5.671 8.026 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.004 -5.095 5.122 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.163 -4.664 6.364 1.00 1.00 H new ATOM 390 N LYS A 27 3.441 -7.124 4.945 1.00 1.00 N ATOM 391 CA LYS A 27 4.030 -8.461 4.696 1.00 1.00 C ATOM 392 C LYS A 27 5.475 -8.354 4.177 1.00 1.00 C ATOM 393 O LYS A 27 5.929 -7.293 3.805 1.00 1.00 O ATOM 394 CB LYS A 27 3.061 -9.081 3.712 1.00 1.00 C ATOM 395 CG LYS A 27 3.614 -10.297 2.994 1.00 1.00 C ATOM 396 CD LYS A 27 2.791 -10.472 1.742 1.00 1.00 C ATOM 397 CE LYS A 27 1.415 -11.098 2.038 1.00 1.00 C ATOM 398 NZ LYS A 27 0.646 -11.240 0.770 1.00 1.00 N ATOM 0 H LYS A 27 3.481 -6.498 4.141 1.00 1.00 H new ATOM 0 HA LYS A 27 4.138 -9.075 5.590 1.00 1.00 H new ATOM 0 HB2 LYS A 27 2.152 -9.365 4.242 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.778 -8.331 2.973 1.00 1.00 H new ATOM 0 HG2 LYS A 27 4.667 -10.156 2.749 1.00 1.00 H new ATOM 0 HG3 LYS A 27 3.550 -11.182 3.626 1.00 1.00 H new ATOM 0 HD2 LYS A 27 2.653 -9.504 1.261 1.00 1.00 H new ATOM 0 HD3 LYS A 27 3.332 -11.103 1.038 1.00 1.00 H new ATOM 0 HE2 LYS A 27 1.542 -12.073 2.509 1.00 1.00 H new ATOM 0 HE3 LYS A 27 0.864 -10.473 2.741 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -0.261 -11.709 0.965 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.469 -10.299 0.364 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 1.193 -11.811 0.095 1.00 1.00 H new ATOM 412 N CYS A 28 6.147 -9.476 4.173 1.00 1.00 N ATOM 413 CA CYS A 28 7.554 -9.569 3.696 1.00 1.00 C ATOM 414 C CYS A 28 7.641 -10.467 2.455 1.00 1.00 C ATOM 415 O CYS A 28 7.351 -11.646 2.519 1.00 1.00 O ATOM 416 CB CYS A 28 8.364 -10.133 4.821 1.00 1.00 C ATOM 417 SG CYS A 28 10.114 -10.485 4.528 1.00 1.00 S ATOM 0 H CYS A 28 5.760 -10.363 4.494 1.00 1.00 H new ATOM 0 HA CYS A 28 7.933 -8.588 3.409 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.301 -9.437 5.657 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.888 -11.060 5.141 1.00 1.00 H new ATOM 422 N MET A 29 8.037 -9.865 1.362 1.00 1.00 N ATOM 423 CA MET A 29 8.179 -10.594 0.065 1.00 1.00 C ATOM 424 C MET A 29 9.535 -10.207 -0.492 1.00 1.00 C ATOM 425 O MET A 29 9.911 -9.060 -0.400 1.00 1.00 O ATOM 426 CB MET A 29 7.061 -10.168 -0.902 1.00 1.00 C ATOM 427 CG MET A 29 5.718 -10.657 -0.347 1.00 1.00 C ATOM 428 SD MET A 29 4.232 -10.371 -1.342 1.00 1.00 S ATOM 429 CE MET A 29 4.324 -11.850 -2.381 1.00 1.00 C ATOM 0 H MET A 29 8.274 -8.874 1.314 1.00 1.00 H new ATOM 0 HA MET A 29 8.102 -11.673 0.201 1.00 1.00 H new ATOM 0 HB2 MET A 29 7.051 -9.084 -1.014 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.237 -10.589 -1.892 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.800 -11.729 -0.170 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.566 -10.185 0.624 1.00 1.00 H new ATOM 0 HE1 MET A 29 3.483 -11.861 -3.074 1.00 1.00 H new ATOM 0 HE2 MET A 29 5.258 -11.842 -2.943 1.00 1.00 H new ATOM 0 HE3 MET A 29 4.287 -12.739 -1.752 1.00 1.00 H new ATOM 439 N ASN A 30 10.205 -11.175 -1.067 1.00 1.00 N ATOM 440 CA ASN A 30 11.572 -10.994 -1.672 1.00 1.00 C ATOM 441 C ASN A 30 12.400 -10.060 -0.766 1.00 1.00 C ATOM 442 O ASN A 30 12.907 -9.031 -1.170 1.00 1.00 O ATOM 443 CB ASN A 30 11.430 -10.402 -3.122 1.00 1.00 C ATOM 444 CG ASN A 30 10.658 -9.071 -3.168 1.00 1.00 C ATOM 445 OD1 ASN A 30 9.445 -9.032 -3.092 1.00 1.00 O ATOM 446 ND2 ASN A 30 11.324 -7.956 -3.289 1.00 1.00 N ATOM 0 H ASN A 30 9.847 -12.127 -1.147 1.00 1.00 H new ATOM 0 HA ASN A 30 12.085 -11.953 -1.747 1.00 1.00 H new ATOM 0 HB2 ASN A 30 12.424 -10.251 -3.543 1.00 1.00 H new ATOM 0 HB3 ASN A 30 10.922 -11.130 -3.755 1.00 1.00 H new ATOM 0 HD21 ASN A 30 10.827 -7.066 -3.319 1.00 1.00 H new ATOM 0 HD22 ASN A 30 12.342 -7.974 -3.354 1.00 1.00 H new ATOM 453 N SER A 31 12.482 -10.524 0.452 1.00 1.00 N ATOM 454 CA SER A 31 13.207 -9.846 1.579 1.00 1.00 C ATOM 455 C SER A 31 13.042 -8.315 1.528 1.00 1.00 C ATOM 456 O SER A 31 13.937 -7.568 1.872 1.00 1.00 O ATOM 457 CB SER A 31 14.704 -10.249 1.487 1.00 1.00 C ATOM 458 OG SER A 31 15.317 -9.717 2.655 1.00 1.00 O ATOM 0 H SER A 31 12.048 -11.404 0.731 1.00 1.00 H new ATOM 0 HA SER A 31 12.784 -10.166 2.531 1.00 1.00 H new ATOM 0 HB2 SER A 31 14.816 -11.332 1.445 1.00 1.00 H new ATOM 0 HB3 SER A 31 15.164 -9.845 0.585 1.00 1.00 H new ATOM 0 HG SER A 31 15.159 -8.751 2.696 1.00 1.00 H new ATOM 464 N LYS A 32 11.869 -7.919 1.100 1.00 1.00 N ATOM 465 CA LYS A 32 11.493 -6.473 0.975 1.00 1.00 C ATOM 466 C LYS A 32 10.157 -6.360 1.702 1.00 1.00 C ATOM 467 O LYS A 32 9.308 -7.210 1.510 1.00 1.00 O ATOM 468 CB LYS A 32 11.329 -6.098 -0.516 1.00 1.00 C ATOM 469 CG LYS A 32 10.893 -4.609 -0.665 1.00 1.00 C ATOM 470 CD LYS A 32 12.053 -3.641 -0.321 1.00 1.00 C ATOM 471 CE LYS A 32 13.010 -3.479 -1.514 1.00 1.00 C ATOM 472 NZ LYS A 32 12.304 -2.818 -2.650 1.00 1.00 N ATOM 0 H LYS A 32 11.128 -8.562 0.821 1.00 1.00 H new ATOM 0 HA LYS A 32 12.247 -5.805 1.392 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.269 -6.261 -1.043 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.587 -6.748 -0.980 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.557 -4.428 -1.686 1.00 1.00 H new ATOM 0 HG3 LYS A 32 10.045 -4.410 -0.010 1.00 1.00 H new ATOM 0 HD2 LYS A 32 11.648 -2.669 -0.041 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.602 -4.018 0.541 1.00 1.00 H new ATOM 0 HE2 LYS A 32 13.875 -2.886 -1.218 1.00 1.00 H new ATOM 0 HE3 LYS A 32 13.384 -4.454 -1.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 12.954 -2.162 -3.128 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 11.981 -3.540 -3.325 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 11.484 -2.290 -2.289 1.00 1.00 H new ATOM 486 N CYS A 33 9.976 -5.343 2.507 1.00 1.00 N ATOM 487 CA CYS A 33 8.664 -5.256 3.212 1.00 1.00 C ATOM 488 C CYS A 33 7.529 -4.873 2.255 1.00 1.00 C ATOM 489 O CYS A 33 7.766 -4.495 1.122 1.00 1.00 O ATOM 490 CB CYS A 33 8.795 -4.236 4.341 1.00 1.00 C ATOM 491 SG CYS A 33 7.528 -4.378 5.619 1.00 1.00 S ATOM 0 H CYS A 33 10.648 -4.600 2.701 1.00 1.00 H new ATOM 0 HA CYS A 33 8.408 -6.234 3.619 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.776 -4.347 4.804 1.00 1.00 H new ATOM 0 HB3 CYS A 33 8.755 -3.233 3.916 1.00 1.00 H new ATOM 496 N ARG A 34 6.317 -4.995 2.731 1.00 1.00 N ATOM 497 CA ARG A 34 5.132 -4.655 1.914 1.00 1.00 C ATOM 498 C ARG A 34 4.078 -4.169 2.894 1.00 1.00 C ATOM 499 O ARG A 34 4.073 -4.571 4.040 1.00 1.00 O ATOM 500 CB ARG A 34 4.682 -5.905 1.198 1.00 1.00 C ATOM 501 CG ARG A 34 3.731 -5.535 0.075 1.00 1.00 C ATOM 502 CD ARG A 34 3.383 -6.788 -0.741 1.00 1.00 C ATOM 503 NE ARG A 34 4.656 -7.451 -1.166 1.00 1.00 N ATOM 504 CZ ARG A 34 4.989 -7.558 -2.425 1.00 1.00 C ATOM 505 NH1 ARG A 34 4.094 -7.927 -3.302 1.00 1.00 N ATOM 506 NH2 ARG A 34 6.219 -7.289 -2.762 1.00 1.00 N ATOM 0 H ARG A 34 6.103 -5.324 3.673 1.00 1.00 H new ATOM 0 HA ARG A 34 5.330 -3.889 1.164 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.545 -6.437 0.797 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.189 -6.580 1.898 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.823 -5.092 0.485 1.00 1.00 H new ATOM 0 HG3 ARG A 34 4.188 -4.785 -0.570 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.781 -7.473 -0.144 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.788 -6.518 -1.613 1.00 1.00 H new ATOM 0 HE ARG A 34 5.280 -7.829 -0.454 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.140 -8.130 -3.003 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.349 -8.012 -4.286 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.892 -7.004 -2.051 1.00 1.00 H new ATOM 0 HH22 ARG A 34 6.509 -7.364 -3.737 1.00 1.00 H new ATOM 520 N CYS A 35 3.222 -3.327 2.391 1.00 1.00 N ATOM 521 CA CYS A 35 2.121 -2.755 3.228 1.00 1.00 C ATOM 522 C CYS A 35 0.780 -2.905 2.511 1.00 1.00 C ATOM 523 O CYS A 35 0.738 -3.171 1.325 1.00 1.00 O ATOM 524 CB CYS A 35 2.394 -1.262 3.496 1.00 1.00 C ATOM 525 SG CYS A 35 1.370 -0.461 4.755 1.00 1.00 S ATOM 0 H CYS A 35 3.235 -3.004 1.424 1.00 1.00 H new ATOM 0 HA CYS A 35 2.082 -3.295 4.174 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.439 -1.154 3.788 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.268 -0.720 2.559 1.00 1.00 H new ATOM 530 N TYR A 36 -0.274 -2.739 3.258 1.00 1.00 N ATOM 531 CA TYR A 36 -1.641 -2.848 2.701 1.00 1.00 C ATOM 532 C TYR A 36 -2.510 -1.691 3.200 1.00 1.00 C ATOM 533 O TYR A 36 -2.090 -0.913 4.034 1.00 1.00 O ATOM 534 CB TYR A 36 -2.188 -4.186 3.146 1.00 1.00 C ATOM 535 CG TYR A 36 -1.375 -5.324 2.504 1.00 1.00 C ATOM 536 CD1 TYR A 36 -1.291 -5.428 1.129 1.00 1.00 C ATOM 537 CD2 TYR A 36 -0.714 -6.257 3.283 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.563 -6.438 0.548 1.00 1.00 C ATOM 539 CE2 TYR A 36 0.010 -7.269 2.699 1.00 1.00 C ATOM 540 CZ TYR A 36 0.086 -7.363 1.329 1.00 1.00 C ATOM 541 OH TYR A 36 0.801 -8.374 0.729 1.00 1.00 O ATOM 0 H TYR A 36 -0.239 -2.527 4.255 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.635 -2.788 1.613 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.144 -4.264 4.232 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.237 -4.272 2.863 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -1.802 -4.709 0.505 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -0.767 -6.190 4.360 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -0.501 -6.505 -0.528 1.00 1.00 H new ATOM 0 HE2 TYR A 36 0.521 -7.992 3.318 1.00 1.00 H new ATOM 0 HH TYR A 36 0.740 -8.284 -0.245 1.00 1.00 H new