USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=14 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+ 155:sc= -1.39! (180deg=-1.71!) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= -0.0179 (180deg=0) USER MOD Set 2.1: A 8 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 12 GLN : amide:sc= -2.7 K(o=-2.7,f=-6.6!) USER MOD Single : A 3 THR OG1 : rot -52:sc= 0.229 USER MOD Single : A 4 ASN :FLIP amide:sc= 0.927 F(o=-0.37,f=0.93) USER MOD Single : A 6 SER OG : rot 32:sc= 0.486 USER MOD Single : A 10 SER OG : rot 180:sc= -0.476 USER MOD Single : A 11 SER OG : rot 180:sc= -0.0202 USER MOD Single : A 18 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0768) USER MOD Single : A 19 LYS NZ :NH3+ -107:sc= -2.05 (180deg=-4.92!) USER MOD Single : A 23 THR OG1 : rot 117:sc= 0.754! USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0.00533 X(o=0.0053,f=0) USER MOD Single : A 31 SER OG : rot 180:sc= -0.277 USER MOD Single : A 32 LYS NZ :NH3+ 170:sc= 0.904 (180deg=0.74) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.14 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.200 -1.304 -1.262 1.00 1.00 N ATOM 16 CA PHE A 2 5.543 -1.866 -1.028 1.00 1.00 C ATOM 17 C PHE A 2 6.349 -0.878 -0.180 1.00 1.00 C ATOM 18 O PHE A 2 5.932 0.235 0.036 1.00 1.00 O ATOM 19 CB PHE A 2 6.176 -2.077 -2.384 1.00 1.00 C ATOM 20 CG PHE A 2 6.276 -3.576 -2.674 1.00 1.00 C ATOM 21 CD1 PHE A 2 7.061 -4.394 -1.876 1.00 1.00 C ATOM 22 CD2 PHE A 2 5.587 -4.140 -3.734 1.00 1.00 C ATOM 23 CE1 PHE A 2 7.154 -5.746 -2.130 1.00 1.00 C ATOM 24 CE2 PHE A 2 5.681 -5.494 -3.987 1.00 1.00 C ATOM 25 CZ PHE A 2 6.465 -6.298 -3.186 1.00 1.00 C ATOM 0 HA PHE A 2 5.506 -2.814 -0.491 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.582 -1.586 -3.155 1.00 1.00 H new ATOM 0 HB3 PHE A 2 7.167 -1.624 -2.409 1.00 1.00 H new ATOM 0 HD1 PHE A 2 7.606 -3.968 -1.046 1.00 1.00 H new ATOM 0 HD2 PHE A 2 4.972 -3.517 -4.367 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.768 -6.372 -1.500 1.00 1.00 H new ATOM 0 HE2 PHE A 2 5.139 -5.925 -4.815 1.00 1.00 H new ATOM 0 HZ PHE A 2 6.538 -7.357 -3.387 1.00 1.00 H new ATOM 35 N THR A 3 7.485 -1.342 0.256 1.00 1.00 N ATOM 36 CA THR A 3 8.392 -0.501 1.098 1.00 1.00 C ATOM 37 C THR A 3 9.786 -0.522 0.477 1.00 1.00 C ATOM 38 O THR A 3 10.004 -1.146 -0.536 1.00 1.00 O ATOM 39 CB THR A 3 8.440 -1.065 2.535 1.00 1.00 C ATOM 40 OG1 THR A 3 9.095 -2.318 2.402 1.00 1.00 O ATOM 41 CG2 THR A 3 7.012 -1.392 3.054 1.00 1.00 C ATOM 0 H THR A 3 7.832 -2.282 0.064 1.00 1.00 H new ATOM 0 HA THR A 3 8.024 0.524 1.141 1.00 1.00 H new ATOM 0 HB THR A 3 8.917 -0.354 3.209 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.656 -2.844 1.702 1.00 1.00 H new ATOM 0 HG21 THR A 3 7.075 -1.787 4.068 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.409 -0.484 3.055 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.549 -2.134 2.403 1.00 1.00 H new ATOM 49 N ASN A 4 10.683 0.160 1.130 1.00 1.00 N ATOM 50 CA ASN A 4 12.090 0.227 0.635 1.00 1.00 C ATOM 51 C ASN A 4 13.047 -0.315 1.704 1.00 1.00 C ATOM 52 O ASN A 4 14.204 0.051 1.744 1.00 1.00 O ATOM 53 CB ASN A 4 12.370 1.703 0.312 1.00 1.00 C ATOM 54 CG ASN A 4 13.561 1.860 -0.642 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.342 2.339 -1.836 1.00 1.00 O flip ATOM 56 ND2 ASN A 4 14.695 1.555 -0.328 1.00 1.00 N flip ATOM 0 H ASN A 4 10.504 0.678 1.990 1.00 1.00 H new ATOM 0 HA ASN A 4 12.238 -0.385 -0.255 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.483 2.152 -0.136 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.570 2.246 1.236 1.00 1.00 H new ATOM 0 HD21 ASN A 4 14.883 1.179 0.601 1.00 1.00 H new ATOM 0 HD22 ASN A 4 15.458 1.675 -0.994 1.00 1.00 H new ATOM 63 N VAL A 5 12.552 -1.190 2.550 1.00 1.00 N ATOM 64 CA VAL A 5 13.403 -1.775 3.610 1.00 1.00 C ATOM 65 C VAL A 5 13.378 -3.292 3.484 1.00 1.00 C ATOM 66 O VAL A 5 12.394 -3.858 3.048 1.00 1.00 O ATOM 67 CB VAL A 5 12.858 -1.350 4.963 1.00 1.00 C ATOM 68 CG1 VAL A 5 13.058 0.160 5.171 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.361 -1.700 5.125 1.00 1.00 C ATOM 0 H VAL A 5 11.587 -1.519 2.543 1.00 1.00 H new ATOM 0 HA VAL A 5 14.431 -1.427 3.511 1.00 1.00 H new ATOM 0 HB VAL A 5 13.415 -1.903 5.719 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.662 0.449 6.145 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.121 0.396 5.127 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.532 0.708 4.389 1.00 1.00 H new ATOM 0 HG21 VAL A 5 11.016 -1.377 6.107 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.783 -1.192 4.353 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.227 -2.777 5.029 1.00 1.00 H new ATOM 79 N SER A 6 14.467 -3.898 3.878 1.00 1.00 N ATOM 80 CA SER A 6 14.570 -5.385 3.806 1.00 1.00 C ATOM 81 C SER A 6 13.670 -6.031 4.874 1.00 1.00 C ATOM 82 O SER A 6 13.388 -5.405 5.879 1.00 1.00 O ATOM 83 CB SER A 6 16.037 -5.788 4.030 1.00 1.00 C ATOM 84 OG SER A 6 16.046 -7.201 3.871 1.00 1.00 O ATOM 0 H SER A 6 15.292 -3.425 4.248 1.00 1.00 H new ATOM 0 HA SER A 6 14.239 -5.732 2.827 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.696 -5.303 3.310 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.381 -5.498 5.023 1.00 1.00 H new ATOM 0 HG SER A 6 15.368 -7.460 3.212 1.00 1.00 H new ATOM 90 N CYS A 7 13.248 -7.249 4.632 1.00 1.00 N ATOM 91 CA CYS A 7 12.374 -7.948 5.628 1.00 1.00 C ATOM 92 C CYS A 7 12.891 -9.347 5.935 1.00 1.00 C ATOM 93 O CYS A 7 13.513 -9.981 5.105 1.00 1.00 O ATOM 94 CB CYS A 7 10.950 -8.081 5.098 1.00 1.00 C ATOM 95 SG CYS A 7 10.654 -9.012 3.577 1.00 1.00 S ATOM 0 H CYS A 7 13.469 -7.787 3.794 1.00 1.00 H new ATOM 0 HA CYS A 7 12.386 -7.344 6.535 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.350 -8.539 5.884 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.562 -7.074 4.946 1.00 1.00 H new ATOM 100 N SER A 8 12.605 -9.771 7.137 1.00 1.00 N ATOM 101 CA SER A 8 13.007 -11.100 7.630 1.00 1.00 C ATOM 102 C SER A 8 11.710 -11.842 8.003 1.00 1.00 C ATOM 103 O SER A 8 11.736 -12.717 8.844 1.00 1.00 O ATOM 104 CB SER A 8 13.884 -10.873 8.833 1.00 1.00 C ATOM 105 OG SER A 8 14.988 -10.122 8.349 1.00 1.00 O ATOM 0 H SER A 8 12.086 -9.217 7.819 1.00 1.00 H new ATOM 0 HA SER A 8 13.558 -11.691 6.899 1.00 1.00 H new ATOM 0 HB2 SER A 8 13.350 -10.331 9.613 1.00 1.00 H new ATOM 0 HB3 SER A 8 14.210 -11.818 9.267 1.00 1.00 H new ATOM 0 HG SER A 8 15.605 -9.935 9.087 1.00 1.00 H new ATOM 111 N ALA A 9 10.645 -11.437 7.337 1.00 1.00 N ATOM 112 CA ALA A 9 9.243 -11.978 7.487 1.00 1.00 C ATOM 113 C ALA A 9 8.254 -10.852 7.812 1.00 1.00 C ATOM 114 O ALA A 9 8.612 -9.815 8.333 1.00 1.00 O ATOM 115 CB ALA A 9 9.106 -13.017 8.634 1.00 1.00 C ATOM 0 H ALA A 9 10.700 -10.694 6.641 1.00 1.00 H new ATOM 0 HA ALA A 9 9.024 -12.454 6.531 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.075 -13.366 8.688 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.765 -13.863 8.439 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.382 -12.552 9.581 1.00 1.00 H new ATOM 121 N SER A 10 7.022 -11.135 7.467 1.00 1.00 N ATOM 122 CA SER A 10 5.862 -10.210 7.674 1.00 1.00 C ATOM 123 C SER A 10 5.837 -9.537 9.052 1.00 1.00 C ATOM 124 O SER A 10 5.403 -8.410 9.200 1.00 1.00 O ATOM 125 CB SER A 10 4.565 -11.004 7.487 1.00 1.00 C ATOM 126 OG SER A 10 4.674 -11.530 6.172 1.00 1.00 O ATOM 0 H SER A 10 6.761 -12.017 7.027 1.00 1.00 H new ATOM 0 HA SER A 10 5.964 -9.410 6.941 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.472 -11.798 8.228 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.687 -10.366 7.591 1.00 1.00 H new ATOM 0 HG SER A 10 3.877 -12.061 5.965 1.00 1.00 H new ATOM 132 N SER A 11 6.295 -10.275 10.028 1.00 1.00 N ATOM 133 CA SER A 11 6.348 -9.794 11.420 1.00 1.00 C ATOM 134 C SER A 11 6.967 -8.414 11.605 1.00 1.00 C ATOM 135 O SER A 11 6.306 -7.497 12.055 1.00 1.00 O ATOM 136 CB SER A 11 7.096 -10.886 12.188 1.00 1.00 C ATOM 137 OG SER A 11 8.344 -11.036 11.523 1.00 1.00 O ATOM 0 H SER A 11 6.645 -11.225 9.902 1.00 1.00 H new ATOM 0 HA SER A 11 5.338 -9.636 11.798 1.00 1.00 H new ATOM 0 HB2 SER A 11 7.239 -10.603 13.231 1.00 1.00 H new ATOM 0 HB3 SER A 11 6.536 -11.821 12.185 1.00 1.00 H new ATOM 0 HG SER A 11 8.874 -11.727 11.973 1.00 1.00 H new ATOM 143 N GLN A 12 8.217 -8.305 11.248 1.00 1.00 N ATOM 144 CA GLN A 12 8.911 -6.997 11.391 1.00 1.00 C ATOM 145 C GLN A 12 8.400 -5.980 10.371 1.00 1.00 C ATOM 146 O GLN A 12 8.811 -4.837 10.410 1.00 1.00 O ATOM 147 CB GLN A 12 10.431 -7.220 11.236 1.00 1.00 C ATOM 148 CG GLN A 12 10.802 -7.902 9.910 1.00 1.00 C ATOM 149 CD GLN A 12 12.335 -7.911 9.804 1.00 1.00 C ATOM 150 OE1 GLN A 12 12.912 -7.554 8.798 1.00 1.00 O ATOM 151 NE2 GLN A 12 13.041 -8.317 10.826 1.00 1.00 N ATOM 0 H GLN A 12 8.784 -9.061 10.866 1.00 1.00 H new ATOM 0 HA GLN A 12 8.701 -6.587 12.379 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.943 -6.260 11.301 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.790 -7.829 12.065 1.00 1.00 H new ATOM 0 HG2 GLN A 12 10.410 -8.919 9.880 1.00 1.00 H new ATOM 0 HG3 GLN A 12 10.363 -7.366 9.068 1.00 1.00 H new ATOM 0 HE21 GLN A 12 12.574 -8.621 11.680 1.00 1.00 H new ATOM 0 HE22 GLN A 12 14.059 -8.330 10.769 1.00 1.00 H new ATOM 160 N CYS A 13 7.523 -6.408 9.491 1.00 1.00 N ATOM 161 CA CYS A 13 6.970 -5.496 8.473 1.00 1.00 C ATOM 162 C CYS A 13 5.685 -4.844 8.964 1.00 1.00 C ATOM 163 O CYS A 13 5.362 -3.781 8.478 1.00 1.00 O ATOM 164 CB CYS A 13 6.749 -6.316 7.239 1.00 1.00 C ATOM 165 SG CYS A 13 8.250 -6.803 6.356 1.00 1.00 S ATOM 0 H CYS A 13 7.171 -7.364 9.446 1.00 1.00 H new ATOM 0 HA CYS A 13 7.656 -4.675 8.263 1.00 1.00 H new ATOM 0 HB2 CYS A 13 6.201 -7.217 7.515 1.00 1.00 H new ATOM 0 HB3 CYS A 13 6.113 -5.752 6.557 1.00 1.00 H new ATOM 170 N TRP A 14 4.968 -5.455 9.880 1.00 1.00 N ATOM 171 CA TRP A 14 3.724 -4.821 10.374 1.00 1.00 C ATOM 172 C TRP A 14 4.023 -3.352 10.817 1.00 1.00 C ATOM 173 O TRP A 14 3.377 -2.444 10.324 1.00 1.00 O ATOM 174 CB TRP A 14 3.182 -5.648 11.565 1.00 1.00 C ATOM 175 CG TRP A 14 2.892 -7.126 11.256 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.295 -7.598 10.132 1.00 1.00 C ATOM 177 CD2 TRP A 14 3.170 -8.167 12.073 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.247 -8.899 10.332 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.747 -9.348 11.470 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.765 -8.217 13.336 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.914 -10.571 12.117 1.00 1.00 C ATOM 182 CZ3 TRP A 14 3.935 -9.438 13.985 1.00 1.00 C ATOM 183 CH2 TRP A 14 3.508 -10.616 13.375 1.00 1.00 C ATOM 0 H TRP A 14 5.196 -6.357 10.298 1.00 1.00 H new ATOM 0 HA TRP A 14 2.975 -4.796 9.583 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.904 -5.598 12.380 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.265 -5.181 11.923 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.943 -7.040 9.277 1.00 1.00 H new ATOM 0 HE1 TRP A 14 1.843 -9.531 9.641 1.00 1.00 H new ATOM 0 HE3 TRP A 14 4.095 -7.305 13.811 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.583 -11.483 11.643 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 4.397 -9.472 14.960 1.00 1.00 H new ATOM 0 HH2 TRP A 14 3.638 -11.563 13.878 1.00 1.00 H new ATOM 194 N PRO A 15 4.975 -3.135 11.713 1.00 1.00 N ATOM 195 CA PRO A 15 5.352 -1.767 12.184 1.00 1.00 C ATOM 196 C PRO A 15 5.853 -0.878 11.036 1.00 1.00 C ATOM 197 O PRO A 15 5.652 0.312 11.054 1.00 1.00 O ATOM 198 CB PRO A 15 6.413 -2.008 13.258 1.00 1.00 C ATOM 199 CG PRO A 15 7.067 -3.319 12.778 1.00 1.00 C ATOM 200 CD PRO A 15 5.842 -4.154 12.389 1.00 1.00 C ATOM 0 HA PRO A 15 4.499 -1.219 12.584 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.131 -1.190 13.312 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.973 -2.111 14.250 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.737 -3.157 11.933 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.654 -3.795 13.563 1.00 1.00 H new ATOM 0 HD2 PRO A 15 6.103 -4.975 11.722 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.354 -4.593 13.259 1.00 1.00 H new ATOM 208 N VAL A 16 6.497 -1.500 10.077 1.00 1.00 N ATOM 209 CA VAL A 16 7.035 -0.739 8.902 1.00 1.00 C ATOM 210 C VAL A 16 5.823 -0.153 8.176 1.00 1.00 C ATOM 211 O VAL A 16 5.753 1.034 7.970 1.00 1.00 O ATOM 212 CB VAL A 16 7.834 -1.723 7.998 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.244 -1.039 6.684 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.117 -2.140 8.743 1.00 1.00 C ATOM 0 H VAL A 16 6.674 -2.504 10.057 1.00 1.00 H new ATOM 0 HA VAL A 16 7.713 0.064 9.191 1.00 1.00 H new ATOM 0 HB VAL A 16 7.207 -2.586 7.774 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.801 -1.743 6.066 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.352 -0.714 6.149 1.00 1.00 H new ATOM 0 HG13 VAL A 16 8.870 -0.174 6.904 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.690 -2.830 8.123 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.719 -1.256 8.953 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.851 -2.629 9.680 1.00 1.00 H new ATOM 224 N CYS A 17 4.910 -1.016 7.814 1.00 1.00 N ATOM 225 CA CYS A 17 3.660 -0.598 7.101 1.00 1.00 C ATOM 226 C CYS A 17 2.998 0.505 7.906 1.00 1.00 C ATOM 227 O CYS A 17 2.596 1.521 7.376 1.00 1.00 O ATOM 228 CB CYS A 17 2.752 -1.816 7.002 1.00 1.00 C ATOM 229 SG CYS A 17 1.132 -1.704 6.202 1.00 1.00 S ATOM 0 H CYS A 17 4.978 -2.019 7.986 1.00 1.00 H new ATOM 0 HA CYS A 17 3.871 -0.223 6.099 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.313 -2.592 6.481 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.583 -2.173 8.018 1.00 1.00 H new ATOM 234 N LYS A 18 2.907 0.249 9.182 1.00 1.00 N ATOM 235 CA LYS A 18 2.285 1.233 10.109 1.00 1.00 C ATOM 236 C LYS A 18 2.971 2.602 10.079 1.00 1.00 C ATOM 237 O LYS A 18 2.319 3.626 10.132 1.00 1.00 O ATOM 238 CB LYS A 18 2.333 0.621 11.511 1.00 1.00 C ATOM 239 CG LYS A 18 1.505 1.430 12.523 1.00 1.00 C ATOM 240 CD LYS A 18 0.042 1.479 12.046 1.00 1.00 C ATOM 241 CE LYS A 18 -0.838 2.012 13.153 1.00 1.00 C ATOM 242 NZ LYS A 18 -0.473 3.418 13.493 1.00 1.00 N ATOM 0 H LYS A 18 3.240 -0.607 9.625 1.00 1.00 H new ATOM 0 HA LYS A 18 1.259 1.424 9.796 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.959 -0.402 11.473 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.368 0.570 11.849 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.564 0.972 13.510 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.905 2.440 12.616 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -0.042 2.114 11.164 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -0.289 0.482 11.754 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -1.883 1.967 12.846 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -0.739 1.382 14.037 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -1.191 3.819 14.129 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 0.454 3.432 13.965 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -0.427 3.985 12.622 1.00 1.00 H new ATOM 256 N LYS A 19 4.268 2.570 9.994 1.00 1.00 N ATOM 257 CA LYS A 19 5.074 3.824 9.957 1.00 1.00 C ATOM 258 C LYS A 19 4.875 4.566 8.621 1.00 1.00 C ATOM 259 O LYS A 19 4.673 5.764 8.590 1.00 1.00 O ATOM 260 CB LYS A 19 6.544 3.426 10.156 1.00 1.00 C ATOM 261 CG LYS A 19 7.457 4.668 10.264 1.00 1.00 C ATOM 262 CD LYS A 19 8.961 4.268 10.290 1.00 1.00 C ATOM 263 CE LYS A 19 9.316 3.347 11.486 1.00 1.00 C ATOM 264 NZ LYS A 19 8.807 1.960 11.269 1.00 1.00 N ATOM 0 H LYS A 19 4.817 1.712 9.948 1.00 1.00 H new ATOM 0 HA LYS A 19 4.756 4.508 10.744 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.640 2.823 11.059 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.870 2.805 9.322 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.270 5.333 9.421 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.211 5.224 11.169 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.214 3.761 9.359 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.572 5.170 10.338 1.00 1.00 H new ATOM 0 HE2 LYS A 19 10.397 3.323 11.622 1.00 1.00 H new ATOM 0 HE3 LYS A 19 8.889 3.755 12.402 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 7.990 1.789 11.889 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.518 1.848 10.276 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 9.558 1.276 11.490 1.00 1.00 H new ATOM 278 N LEU A 20 4.944 3.803 7.563 1.00 1.00 N ATOM 279 CA LEU A 20 4.795 4.298 6.180 1.00 1.00 C ATOM 280 C LEU A 20 3.426 4.766 5.686 1.00 1.00 C ATOM 281 O LEU A 20 3.296 5.884 5.222 1.00 1.00 O ATOM 282 CB LEU A 20 5.314 3.179 5.294 1.00 1.00 C ATOM 283 CG LEU A 20 6.788 2.818 5.602 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.146 1.587 4.761 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.723 3.984 5.240 1.00 1.00 C ATOM 0 H LEU A 20 5.108 2.798 7.617 1.00 1.00 H new ATOM 0 HA LEU A 20 5.349 5.236 6.143 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.691 2.295 5.427 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.226 3.476 4.249 1.00 1.00 H new ATOM 0 HG LEU A 20 6.908 2.614 6.666 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.181 1.304 4.953 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.488 0.760 5.028 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.024 1.821 3.703 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.753 3.708 5.465 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.631 4.208 4.177 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.448 4.864 5.821 1.00 1.00 H new ATOM 297 N PHE A 21 2.444 3.912 5.792 1.00 1.00 N ATOM 298 CA PHE A 21 1.082 4.219 5.343 1.00 1.00 C ATOM 299 C PHE A 21 0.171 4.604 6.505 1.00 1.00 C ATOM 300 O PHE A 21 -0.589 5.542 6.410 1.00 1.00 O ATOM 301 CB PHE A 21 0.663 2.956 4.620 1.00 1.00 C ATOM 302 CG PHE A 21 1.709 2.632 3.522 1.00 1.00 C ATOM 303 CD1 PHE A 21 2.827 1.883 3.828 1.00 1.00 C ATOM 304 CD2 PHE A 21 1.554 3.109 2.235 1.00 1.00 C ATOM 305 CE1 PHE A 21 3.781 1.611 2.876 1.00 1.00 C ATOM 306 CE2 PHE A 21 2.511 2.840 1.278 1.00 1.00 C ATOM 307 CZ PHE A 21 3.624 2.091 1.601 1.00 1.00 C ATOM 0 H PHE A 21 2.549 2.979 6.190 1.00 1.00 H new ATOM 0 HA PHE A 21 1.021 5.091 4.692 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.587 2.127 5.324 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.323 3.087 4.174 1.00 1.00 H new ATOM 0 HD1 PHE A 21 2.955 1.504 4.831 1.00 1.00 H new ATOM 0 HD2 PHE A 21 0.683 3.693 1.977 1.00 1.00 H new ATOM 0 HE1 PHE A 21 4.650 1.022 3.131 1.00 1.00 H new ATOM 0 HE2 PHE A 21 2.389 3.217 0.273 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.371 1.883 0.850 1.00 1.00 H new ATOM 317 N GLY A 22 0.292 3.850 7.563 1.00 1.00 N ATOM 318 CA GLY A 22 -0.519 4.082 8.789 1.00 1.00 C ATOM 319 C GLY A 22 -1.367 2.837 9.030 1.00 1.00 C ATOM 320 O GLY A 22 -2.308 2.869 9.798 1.00 1.00 O ATOM 0 H GLY A 22 0.937 3.062 7.629 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.128 4.275 9.644 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.154 4.959 8.666 1.00 1.00 H new ATOM 324 N THR A 23 -0.997 1.775 8.356 1.00 1.00 N ATOM 325 CA THR A 23 -1.702 0.484 8.468 1.00 1.00 C ATOM 326 C THR A 23 -0.758 -0.482 9.171 1.00 1.00 C ATOM 327 O THR A 23 0.397 -0.547 8.833 1.00 1.00 O ATOM 328 CB THR A 23 -2.025 0.067 7.051 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.874 0.316 6.253 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.135 0.920 6.431 1.00 1.00 C ATOM 0 H THR A 23 -0.205 1.762 7.713 1.00 1.00 H new ATOM 0 HA THR A 23 -2.626 0.521 9.044 1.00 1.00 H new ATOM 0 HB THR A 23 -2.334 -0.978 7.081 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.533 -0.531 5.897 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.329 0.581 5.414 1.00 1.00 H new ATOM 0 HG22 THR A 23 -4.043 0.823 7.026 1.00 1.00 H new ATOM 0 HG23 THR A 23 -2.824 1.964 6.412 1.00 1.00 H new ATOM 338 N TYR A 24 -1.279 -1.227 10.113 1.00 1.00 N ATOM 339 CA TYR A 24 -0.415 -2.200 10.858 1.00 1.00 C ATOM 340 C TYR A 24 -0.602 -3.589 10.225 1.00 1.00 C ATOM 341 O TYR A 24 -0.582 -4.610 10.886 1.00 1.00 O ATOM 342 CB TYR A 24 -0.875 -2.153 12.344 1.00 1.00 C ATOM 343 CG TYR A 24 0.215 -2.516 13.366 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.466 -2.980 13.005 1.00 1.00 C ATOM 345 CD2 TYR A 24 -0.057 -2.363 14.712 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.410 -3.280 13.963 1.00 1.00 C ATOM 347 CE2 TYR A 24 0.881 -2.664 15.669 1.00 1.00 C ATOM 348 CZ TYR A 24 2.126 -3.125 15.300 1.00 1.00 C ATOM 349 OH TYR A 24 3.074 -3.427 16.258 1.00 1.00 O ATOM 0 H TYR A 24 -2.258 -1.206 10.399 1.00 1.00 H new ATOM 0 HA TYR A 24 0.647 -1.960 10.808 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.242 -1.151 12.565 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.715 -2.835 12.472 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.706 -3.109 11.960 1.00 1.00 H new ATOM 0 HD2 TYR A 24 -1.027 -1.999 15.018 1.00 1.00 H new ATOM 0 HE1 TYR A 24 3.382 -3.640 13.661 1.00 1.00 H new ATOM 0 HE2 TYR A 24 0.642 -2.539 16.715 1.00 1.00 H new ATOM 0 HH TYR A 24 2.704 -3.258 17.149 1.00 1.00 H new ATOM 359 N ARG A 25 -0.775 -3.545 8.928 1.00 1.00 N ATOM 360 CA ARG A 25 -0.980 -4.713 8.065 1.00 1.00 C ATOM 361 C ARG A 25 0.144 -4.784 7.022 1.00 1.00 C ATOM 362 O ARG A 25 -0.047 -4.349 5.906 1.00 1.00 O ATOM 363 CB ARG A 25 -2.327 -4.489 7.446 1.00 1.00 C ATOM 364 CG ARG A 25 -3.461 -4.648 8.481 1.00 1.00 C ATOM 365 CD ARG A 25 -4.806 -4.261 7.836 1.00 1.00 C ATOM 366 NE ARG A 25 -4.710 -2.846 7.361 1.00 1.00 N ATOM 367 CZ ARG A 25 -5.423 -1.913 7.931 1.00 1.00 C ATOM 368 NH1 ARG A 25 -6.705 -1.861 7.693 1.00 1.00 N ATOM 369 NH2 ARG A 25 -4.823 -1.065 8.720 1.00 1.00 N ATOM 0 H ARG A 25 -0.779 -2.666 8.410 1.00 1.00 H new ATOM 0 HA ARG A 25 -0.952 -5.664 8.598 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.367 -3.490 7.012 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.476 -5.197 6.631 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.500 -5.677 8.838 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.267 -4.017 9.348 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.033 -4.926 7.003 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.617 -4.365 8.557 1.00 1.00 H new ATOM 0 HE ARG A 25 -4.086 -2.610 6.590 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -7.136 -2.543 7.069 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -7.276 -1.138 8.131 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -3.818 -1.140 8.880 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -5.358 -0.327 9.177 1.00 1.00 H new ATOM 383 N GLY A 26 1.289 -5.305 7.390 1.00 1.00 N ATOM 384 CA GLY A 26 2.427 -5.411 6.438 1.00 1.00 C ATOM 385 C GLY A 26 2.883 -6.860 6.333 1.00 1.00 C ATOM 386 O GLY A 26 2.835 -7.631 7.271 1.00 1.00 O ATOM 0 H GLY A 26 1.481 -5.665 8.325 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.127 -5.043 5.457 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.253 -4.784 6.774 1.00 1.00 H new ATOM 390 N LYS A 27 3.322 -7.165 5.150 1.00 1.00 N ATOM 391 CA LYS A 27 3.820 -8.539 4.822 1.00 1.00 C ATOM 392 C LYS A 27 5.242 -8.462 4.228 1.00 1.00 C ATOM 393 O LYS A 27 5.697 -7.394 3.882 1.00 1.00 O ATOM 394 CB LYS A 27 2.787 -9.124 3.849 1.00 1.00 C ATOM 395 CG LYS A 27 3.039 -10.602 3.479 1.00 1.00 C ATOM 396 CD LYS A 27 3.367 -10.713 1.975 1.00 1.00 C ATOM 397 CE LYS A 27 2.337 -11.625 1.284 1.00 1.00 C ATOM 398 NZ LYS A 27 2.550 -11.623 -0.181 1.00 1.00 N ATOM 0 H LYS A 27 3.360 -6.507 4.371 1.00 1.00 H new ATOM 0 HA LYS A 27 3.912 -9.181 5.698 1.00 1.00 H new ATOM 0 HB2 LYS A 27 1.795 -9.035 4.292 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.784 -8.527 2.937 1.00 1.00 H new ATOM 0 HG2 LYS A 27 3.863 -11.000 4.071 1.00 1.00 H new ATOM 0 HG3 LYS A 27 2.159 -11.201 3.714 1.00 1.00 H new ATOM 0 HD2 LYS A 27 3.356 -9.724 1.517 1.00 1.00 H new ATOM 0 HD3 LYS A 27 4.371 -11.116 1.841 1.00 1.00 H new ATOM 0 HE2 LYS A 27 2.424 -12.641 1.670 1.00 1.00 H new ATOM 0 HE3 LYS A 27 1.327 -11.283 1.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 2.178 -12.505 -0.587 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 2.054 -10.812 -0.603 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 3.567 -11.551 -0.384 1.00 1.00 H new ATOM 412 N CYS A 28 5.910 -9.582 4.126 1.00 1.00 N ATOM 413 CA CYS A 28 7.297 -9.628 3.562 1.00 1.00 C ATOM 414 C CYS A 28 7.379 -10.336 2.196 1.00 1.00 C ATOM 415 O CYS A 28 7.012 -11.489 2.077 1.00 1.00 O ATOM 416 CB CYS A 28 8.143 -10.330 4.604 1.00 1.00 C ATOM 417 SG CYS A 28 9.860 -10.754 4.215 1.00 1.00 S ATOM 0 H CYS A 28 5.545 -10.489 4.416 1.00 1.00 H new ATOM 0 HA CYS A 28 7.653 -8.618 3.361 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.155 -9.701 5.494 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.631 -11.254 4.873 1.00 1.00 H new ATOM 422 N MET A 29 7.859 -9.610 1.211 1.00 1.00 N ATOM 423 CA MET A 29 8.008 -10.143 -0.177 1.00 1.00 C ATOM 424 C MET A 29 9.269 -9.562 -0.786 1.00 1.00 C ATOM 425 O MET A 29 9.641 -8.457 -0.462 1.00 1.00 O ATOM 426 CB MET A 29 6.834 -9.729 -1.067 1.00 1.00 C ATOM 427 CG MET A 29 5.588 -10.446 -0.611 1.00 1.00 C ATOM 428 SD MET A 29 5.609 -12.258 -0.584 1.00 1.00 S ATOM 429 CE MET A 29 5.051 -12.542 -2.284 1.00 1.00 C ATOM 0 H MET A 29 8.161 -8.642 1.319 1.00 1.00 H new ATOM 0 HA MET A 29 8.046 -11.231 -0.118 1.00 1.00 H new ATOM 0 HB2 MET A 29 6.686 -8.650 -1.016 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.048 -9.973 -2.108 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.353 -10.100 0.396 1.00 1.00 H new ATOM 0 HG3 MET A 29 4.767 -10.131 -1.256 1.00 1.00 H new ATOM 0 HE1 MET A 29 4.995 -13.614 -2.474 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.066 -12.097 -2.423 1.00 1.00 H new ATOM 0 HE3 MET A 29 5.756 -12.086 -2.979 1.00 1.00 H new ATOM 439 N ASN A 30 9.862 -10.323 -1.667 1.00 1.00 N ATOM 440 CA ASN A 30 11.128 -9.915 -2.370 1.00 1.00 C ATOM 441 C ASN A 30 12.072 -9.309 -1.320 1.00 1.00 C ATOM 442 O ASN A 30 12.584 -8.213 -1.457 1.00 1.00 O ATOM 443 CB ASN A 30 10.766 -8.882 -3.463 1.00 1.00 C ATOM 444 CG ASN A 30 9.729 -9.485 -4.418 1.00 1.00 C ATOM 445 OD1 ASN A 30 9.985 -10.450 -5.111 1.00 1.00 O ATOM 446 ND2 ASN A 30 8.543 -8.944 -4.481 1.00 1.00 N ATOM 0 H ASN A 30 9.514 -11.242 -1.941 1.00 1.00 H new ATOM 0 HA ASN A 30 11.622 -10.762 -2.846 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.369 -7.976 -3.004 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.660 -8.594 -4.016 1.00 1.00 H new ATOM 0 HD21 ASN A 30 7.838 -9.331 -5.109 1.00 1.00 H new ATOM 0 HD22 ASN A 30 8.321 -8.134 -3.902 1.00 1.00 H new ATOM 453 N SER A 31 12.252 -10.108 -0.296 1.00 1.00 N ATOM 454 CA SER A 31 13.110 -9.787 0.882 1.00 1.00 C ATOM 455 C SER A 31 12.983 -8.320 1.341 1.00 1.00 C ATOM 456 O SER A 31 13.928 -7.740 1.838 1.00 1.00 O ATOM 457 CB SER A 31 14.587 -10.117 0.517 1.00 1.00 C ATOM 458 OG SER A 31 14.925 -9.248 -0.548 1.00 1.00 O ATOM 0 H SER A 31 11.809 -11.025 -0.231 1.00 1.00 H new ATOM 0 HA SER A 31 12.773 -10.394 1.723 1.00 1.00 H new ATOM 0 HB2 SER A 31 15.245 -9.962 1.372 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.692 -11.160 0.219 1.00 1.00 H new ATOM 0 HG SER A 31 15.852 -9.410 -0.821 1.00 1.00 H new ATOM 464 N LYS A 32 11.802 -7.775 1.158 1.00 1.00 N ATOM 465 CA LYS A 32 11.530 -6.355 1.563 1.00 1.00 C ATOM 466 C LYS A 32 10.115 -6.303 2.104 1.00 1.00 C ATOM 467 O LYS A 32 9.305 -7.143 1.765 1.00 1.00 O ATOM 468 CB LYS A 32 11.678 -5.390 0.344 1.00 1.00 C ATOM 469 CG LYS A 32 10.637 -5.658 -0.765 1.00 1.00 C ATOM 470 CD LYS A 32 10.727 -4.578 -1.873 1.00 1.00 C ATOM 471 CE LYS A 32 12.109 -4.582 -2.564 1.00 1.00 C ATOM 472 NZ LYS A 32 12.387 -5.915 -3.171 1.00 1.00 N ATOM 0 H LYS A 32 11.006 -8.258 0.741 1.00 1.00 H new ATOM 0 HA LYS A 32 12.247 -6.035 2.319 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.578 -4.361 0.688 1.00 1.00 H new ATOM 0 HB3 LYS A 32 12.680 -5.491 -0.073 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.805 -6.644 -1.197 1.00 1.00 H new ATOM 0 HG3 LYS A 32 9.635 -5.664 -0.336 1.00 1.00 H new ATOM 0 HD2 LYS A 32 9.948 -4.753 -2.616 1.00 1.00 H new ATOM 0 HD3 LYS A 32 10.540 -3.596 -1.440 1.00 1.00 H new ATOM 0 HE2 LYS A 32 12.139 -3.812 -3.335 1.00 1.00 H new ATOM 0 HE3 LYS A 32 12.885 -4.337 -1.839 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 13.234 -5.853 -3.771 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 12.547 -6.613 -2.417 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 11.574 -6.210 -3.749 1.00 1.00 H new ATOM 486 N CYS A 33 9.821 -5.335 2.927 1.00 1.00 N ATOM 487 CA CYS A 33 8.458 -5.265 3.468 1.00 1.00 C ATOM 488 C CYS A 33 7.398 -4.840 2.441 1.00 1.00 C ATOM 489 O CYS A 33 7.696 -4.336 1.376 1.00 1.00 O ATOM 490 CB CYS A 33 8.578 -4.335 4.650 1.00 1.00 C ATOM 491 SG CYS A 33 9.273 -5.071 6.147 1.00 1.00 S ATOM 0 H CYS A 33 10.462 -4.605 3.238 1.00 1.00 H new ATOM 0 HA CYS A 33 8.089 -6.247 3.763 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.198 -3.486 4.361 1.00 1.00 H new ATOM 0 HB3 CYS A 33 7.588 -3.942 4.884 1.00 1.00 H new ATOM 496 N ARG A 34 6.179 -5.085 2.830 1.00 1.00 N ATOM 497 CA ARG A 34 4.979 -4.767 2.021 1.00 1.00 C ATOM 498 C ARG A 34 3.956 -4.215 3.006 1.00 1.00 C ATOM 499 O ARG A 34 3.966 -4.565 4.170 1.00 1.00 O ATOM 500 CB ARG A 34 4.457 -6.044 1.389 1.00 1.00 C ATOM 501 CG ARG A 34 3.285 -5.760 0.451 1.00 1.00 C ATOM 502 CD ARG A 34 2.654 -7.075 -0.020 1.00 1.00 C ATOM 503 NE ARG A 34 3.621 -7.791 -0.901 1.00 1.00 N ATOM 504 CZ ARG A 34 3.276 -8.080 -2.127 1.00 1.00 C ATOM 505 NH1 ARG A 34 3.392 -7.164 -3.047 1.00 1.00 N ATOM 506 NH2 ARG A 34 2.822 -9.276 -2.390 1.00 1.00 N ATOM 0 H ARG A 34 5.960 -5.517 3.728 1.00 1.00 H new ATOM 0 HA ARG A 34 5.190 -4.054 1.224 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.259 -6.532 0.835 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.141 -6.736 2.170 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.539 -5.153 0.963 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.629 -5.185 -0.409 1.00 1.00 H new ATOM 0 HD2 ARG A 34 2.395 -7.696 0.837 1.00 1.00 H new ATOM 0 HD3 ARG A 34 1.729 -6.876 -0.561 1.00 1.00 H new ATOM 0 HE ARG A 34 4.542 -8.052 -0.550 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.747 -6.239 -2.804 1.00 1.00 H new ATOM 0 HH12 ARG A 34 3.127 -7.372 -4.010 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.742 -9.967 -1.644 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.548 -9.519 -3.342 1.00 1.00 H new ATOM 520 N CYS A 35 3.108 -3.375 2.482 1.00 1.00 N ATOM 521 CA CYS A 35 2.034 -2.739 3.299 1.00 1.00 C ATOM 522 C CYS A 35 0.685 -2.961 2.612 1.00 1.00 C ATOM 523 O CYS A 35 0.623 -3.222 1.425 1.00 1.00 O ATOM 524 CB CYS A 35 2.292 -1.236 3.434 1.00 1.00 C ATOM 525 SG CYS A 35 1.291 -0.390 4.677 1.00 1.00 S ATOM 0 H CYS A 35 3.114 -3.096 1.501 1.00 1.00 H new ATOM 0 HA CYS A 35 2.027 -3.188 4.292 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.344 -1.085 3.674 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.115 -0.765 2.467 1.00 1.00 H new ATOM 530 N TYR A 36 -0.347 -2.851 3.399 1.00 1.00 N ATOM 531 CA TYR A 36 -1.739 -3.039 2.906 1.00 1.00 C ATOM 532 C TYR A 36 -2.592 -1.808 3.252 1.00 1.00 C ATOM 533 O TYR A 36 -2.072 -0.790 3.665 1.00 1.00 O ATOM 534 CB TYR A 36 -2.286 -4.321 3.567 1.00 1.00 C ATOM 535 CG TYR A 36 -1.546 -5.575 3.038 1.00 1.00 C ATOM 536 CD1 TYR A 36 -0.196 -5.777 3.272 1.00 1.00 C ATOM 537 CD2 TYR A 36 -2.229 -6.529 2.308 1.00 1.00 C ATOM 538 CE1 TYR A 36 0.444 -6.887 2.796 1.00 1.00 C ATOM 539 CE2 TYR A 36 -1.574 -7.647 1.829 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.228 -7.834 2.070 1.00 1.00 C ATOM 541 OH TYR A 36 0.404 -8.956 1.586 1.00 1.00 O ATOM 0 H TYR A 36 -0.281 -2.632 4.393 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.767 -3.145 1.822 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.170 -4.255 4.649 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.353 -4.412 3.366 1.00 1.00 H new ATOM 0 HD1 TYR A 36 0.360 -5.046 3.840 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -3.283 -6.400 2.110 1.00 1.00 H new ATOM 0 HE1 TYR A 36 1.497 -7.019 2.996 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -2.122 -8.383 1.259 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.240 -9.509 1.097 1.00 1.00 H new