USER MOD reduce.3.24.130724 H: found=0, std=0, add=262, rem=0, adj=11 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 Single : A 3 THR OG1 : rot -66:sc= -0.594 USER MOD Single : A 4 ASN : amide:sc= -0.258 K(o=-0.26,f=0.97) USER MOD Single : A 6 SER OG : rot 33:sc= 0.0543 USER MOD Single : A 8 SER OG : rot -53:sc= 0.883 USER MOD Single : A 10 SER OG : rot 180:sc= 0.398 USER MOD Single : A 11 SER OG : rot 180:sc= -0.122 USER MOD Single : A 12 GLN : amide:sc= -3.13 K(o=-3.1,f=-2.1!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ -139:sc= -2.54! (180deg=-5.77!) USER MOD Single : A 23 THR OG1 : rot 104:sc= 2.24 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -0.206 K(o=-0.21,f=-1.4) USER MOD Single : A 31 SER OG : rot 180:sc= -0.162 USER MOD Single : A 32 LYS NZ :NH3+ 146:sc= 0.288 (180deg=-0.832!) USER MOD Single : A 36 TYR OH : rot 30:sc= -2.04! USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.589 -0.830 -1.285 1.00 1.00 N ATOM 16 CA PHE A 2 4.983 -1.307 -1.391 1.00 1.00 C ATOM 17 C PHE A 2 5.952 -0.440 -0.599 1.00 1.00 C ATOM 18 O PHE A 2 5.665 0.658 -0.190 1.00 1.00 O ATOM 19 CB PHE A 2 5.282 -1.324 -2.887 1.00 1.00 C ATOM 20 CG PHE A 2 6.736 -1.028 -3.265 1.00 1.00 C ATOM 21 CD1 PHE A 2 7.251 0.247 -3.156 1.00 1.00 C ATOM 22 CD2 PHE A 2 7.562 -2.038 -3.727 1.00 1.00 C ATOM 23 CE1 PHE A 2 8.560 0.515 -3.501 1.00 1.00 C ATOM 24 CE2 PHE A 2 8.872 -1.768 -4.074 1.00 1.00 C ATOM 25 CZ PHE A 2 9.371 -0.491 -3.960 1.00 1.00 C ATOM 0 HA PHE A 2 5.108 -2.298 -0.954 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.012 -2.303 -3.284 1.00 1.00 H new ATOM 0 HB3 PHE A 2 4.640 -0.593 -3.378 1.00 1.00 H new ATOM 0 HD1 PHE A 2 6.621 1.047 -2.796 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.180 -3.044 -3.817 1.00 1.00 H new ATOM 0 HE1 PHE A 2 8.947 1.519 -3.409 1.00 1.00 H new ATOM 0 HE2 PHE A 2 9.507 -2.563 -4.436 1.00 1.00 H new ATOM 0 HZ PHE A 2 10.396 -0.282 -4.230 1.00 1.00 H new ATOM 35 N THR A 3 7.096 -1.039 -0.442 1.00 1.00 N ATOM 36 CA THR A 3 8.235 -0.410 0.289 1.00 1.00 C ATOM 37 C THR A 3 9.526 -0.830 -0.404 1.00 1.00 C ATOM 38 O THR A 3 9.511 -1.723 -1.228 1.00 1.00 O ATOM 39 CB THR A 3 8.280 -0.894 1.758 1.00 1.00 C ATOM 40 OG1 THR A 3 8.528 -2.283 1.669 1.00 1.00 O ATOM 41 CG2 THR A 3 6.904 -0.801 2.448 1.00 1.00 C ATOM 0 H THR A 3 7.298 -1.972 -0.802 1.00 1.00 H new ATOM 0 HA THR A 3 8.114 0.673 0.284 1.00 1.00 H new ATOM 0 HB THR A 3 9.008 -0.299 2.309 1.00 1.00 H new ATOM 0 HG1 THR A 3 7.758 -2.727 1.255 1.00 1.00 H new ATOM 0 HG21 THR A 3 6.988 -1.152 3.476 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.565 0.235 2.445 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.185 -1.420 1.911 1.00 1.00 H new ATOM 49 N ASN A 4 10.606 -0.187 -0.055 1.00 1.00 N ATOM 50 CA ASN A 4 11.918 -0.524 -0.679 1.00 1.00 C ATOM 51 C ASN A 4 12.939 -0.808 0.419 1.00 1.00 C ATOM 52 O ASN A 4 14.094 -0.439 0.321 1.00 1.00 O ATOM 53 CB ASN A 4 12.310 0.667 -1.546 1.00 1.00 C ATOM 54 CG ASN A 4 13.373 0.281 -2.588 1.00 1.00 C ATOM 55 OD1 ASN A 4 14.481 -0.099 -2.272 1.00 1.00 O ATOM 56 ND2 ASN A 4 13.067 0.368 -3.854 1.00 1.00 N ATOM 0 H ASN A 4 10.637 0.560 0.638 1.00 1.00 H new ATOM 0 HA ASN A 4 11.867 -1.419 -1.299 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.427 1.056 -2.053 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.693 1.468 -0.914 1.00 1.00 H new ATOM 0 HD21 ASN A 4 13.756 0.118 -4.564 1.00 1.00 H new ATOM 0 HD22 ASN A 4 12.139 0.686 -4.134 1.00 1.00 H new ATOM 63 N VAL A 5 12.474 -1.465 1.454 1.00 1.00 N ATOM 64 CA VAL A 5 13.353 -1.810 2.594 1.00 1.00 C ATOM 65 C VAL A 5 13.416 -3.326 2.749 1.00 1.00 C ATOM 66 O VAL A 5 12.470 -4.022 2.441 1.00 1.00 O ATOM 67 CB VAL A 5 12.786 -1.177 3.851 1.00 1.00 C ATOM 68 CG1 VAL A 5 12.863 0.356 3.765 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.325 -1.614 4.116 1.00 1.00 C ATOM 0 H VAL A 5 11.508 -1.777 1.550 1.00 1.00 H new ATOM 0 HA VAL A 5 14.362 -1.436 2.420 1.00 1.00 H new ATOM 0 HB VAL A 5 13.395 -1.525 4.685 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.452 0.793 4.675 1.00 1.00 H new ATOM 0 HG12 VAL A 5 13.903 0.662 3.653 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.289 0.701 2.905 1.00 1.00 H new ATOM 0 HG21 VAL A 5 10.962 -1.136 5.026 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.698 -1.317 3.275 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.285 -2.697 4.234 1.00 1.00 H new ATOM 79 N SER A 6 14.541 -3.785 3.226 1.00 1.00 N ATOM 80 CA SER A 6 14.726 -5.252 3.429 1.00 1.00 C ATOM 81 C SER A 6 13.893 -5.757 4.618 1.00 1.00 C ATOM 82 O SER A 6 13.679 -5.020 5.562 1.00 1.00 O ATOM 83 CB SER A 6 16.223 -5.531 3.674 1.00 1.00 C ATOM 84 OG SER A 6 16.330 -6.948 3.755 1.00 1.00 O ATOM 0 H SER A 6 15.341 -3.208 3.484 1.00 1.00 H new ATOM 0 HA SER A 6 14.385 -5.781 2.539 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.835 -5.136 2.863 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.567 -5.057 4.593 1.00 1.00 H new ATOM 0 HG SER A 6 15.665 -7.361 3.165 1.00 1.00 H new ATOM 90 N CYS A 7 13.448 -6.988 4.538 1.00 1.00 N ATOM 91 CA CYS A 7 12.634 -7.580 5.653 1.00 1.00 C ATOM 92 C CYS A 7 13.153 -8.965 5.997 1.00 1.00 C ATOM 93 O CYS A 7 13.830 -9.597 5.209 1.00 1.00 O ATOM 94 CB CYS A 7 11.166 -7.743 5.264 1.00 1.00 C ATOM 95 SG CYS A 7 10.790 -8.726 3.796 1.00 1.00 S ATOM 0 H CYS A 7 13.612 -7.612 3.748 1.00 1.00 H new ATOM 0 HA CYS A 7 12.719 -6.896 6.497 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.643 -8.189 6.110 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.745 -6.748 5.118 1.00 1.00 H new ATOM 100 N SER A 8 12.800 -9.379 7.184 1.00 1.00 N ATOM 101 CA SER A 8 13.213 -10.717 7.680 1.00 1.00 C ATOM 102 C SER A 8 11.951 -11.410 8.236 1.00 1.00 C ATOM 103 O SER A 8 12.054 -12.208 9.146 1.00 1.00 O ATOM 104 CB SER A 8 14.312 -10.495 8.753 1.00 1.00 C ATOM 105 OG SER A 8 14.700 -11.802 9.156 1.00 1.00 O ATOM 0 H SER A 8 12.235 -8.837 7.838 1.00 1.00 H new ATOM 0 HA SER A 8 13.631 -11.359 6.905 1.00 1.00 H new ATOM 0 HB2 SER A 8 15.157 -9.941 8.344 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.930 -9.919 9.596 1.00 1.00 H new ATOM 0 HG SER A 8 13.906 -12.312 9.419 1.00 1.00 H new ATOM 111 N ALA A 9 10.821 -11.064 7.643 1.00 1.00 N ATOM 112 CA ALA A 9 9.445 -11.597 7.994 1.00 1.00 C ATOM 113 C ALA A 9 8.350 -10.519 7.974 1.00 1.00 C ATOM 114 O ALA A 9 8.611 -9.334 8.046 1.00 1.00 O ATOM 115 CB ALA A 9 9.379 -12.233 9.418 1.00 1.00 C ATOM 0 H ALA A 9 10.797 -10.389 6.879 1.00 1.00 H new ATOM 0 HA ALA A 9 9.269 -12.345 7.221 1.00 1.00 H new ATOM 0 HB1 ALA A 9 8.369 -12.595 9.608 1.00 1.00 H new ATOM 0 HB2 ALA A 9 10.080 -13.066 9.478 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.642 -11.483 10.164 1.00 1.00 H new ATOM 121 N SER A 10 7.140 -11.015 7.873 1.00 1.00 N ATOM 122 CA SER A 10 5.908 -10.162 7.830 1.00 1.00 C ATOM 123 C SER A 10 5.597 -9.492 9.174 1.00 1.00 C ATOM 124 O SER A 10 5.179 -8.351 9.213 1.00 1.00 O ATOM 125 CB SER A 10 4.717 -11.036 7.418 1.00 1.00 C ATOM 126 OG SER A 10 5.047 -11.492 6.115 1.00 1.00 O ATOM 0 H SER A 10 6.949 -12.015 7.816 1.00 1.00 H new ATOM 0 HA SER A 10 6.087 -9.365 7.108 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.578 -11.869 8.107 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.788 -10.466 7.416 1.00 1.00 H new ATOM 0 HG SER A 10 4.328 -12.066 5.777 1.00 1.00 H new ATOM 132 N SER A 11 5.796 -10.230 10.238 1.00 1.00 N ATOM 133 CA SER A 11 5.545 -9.729 11.608 1.00 1.00 C ATOM 134 C SER A 11 6.259 -8.403 11.873 1.00 1.00 C ATOM 135 O SER A 11 5.642 -7.435 12.278 1.00 1.00 O ATOM 136 CB SER A 11 6.003 -10.850 12.534 1.00 1.00 C ATOM 137 OG SER A 11 7.363 -11.098 12.201 1.00 1.00 O ATOM 0 H SER A 11 6.134 -11.192 10.202 1.00 1.00 H new ATOM 0 HA SER A 11 4.493 -9.497 11.771 1.00 1.00 H new ATOM 0 HB2 SER A 11 5.904 -10.558 13.580 1.00 1.00 H new ATOM 0 HB3 SER A 11 5.397 -11.745 12.394 1.00 1.00 H new ATOM 0 HG SER A 11 7.714 -11.814 12.770 1.00 1.00 H new ATOM 143 N GLN A 12 7.543 -8.419 11.630 1.00 1.00 N ATOM 144 CA GLN A 12 8.381 -7.204 11.837 1.00 1.00 C ATOM 145 C GLN A 12 8.074 -6.128 10.785 1.00 1.00 C ATOM 146 O GLN A 12 8.627 -5.047 10.842 1.00 1.00 O ATOM 147 CB GLN A 12 9.865 -7.622 11.778 1.00 1.00 C ATOM 148 CG GLN A 12 10.164 -8.428 10.503 1.00 1.00 C ATOM 149 CD GLN A 12 11.629 -8.854 10.552 1.00 1.00 C ATOM 150 OE1 GLN A 12 12.527 -8.084 10.279 1.00 1.00 O ATOM 151 NE2 GLN A 12 11.902 -10.078 10.908 1.00 1.00 N ATOM 0 H GLN A 12 8.053 -9.235 11.292 1.00 1.00 H new ATOM 0 HA GLN A 12 8.156 -6.769 12.811 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.497 -6.735 11.807 1.00 1.00 H new ATOM 0 HB3 GLN A 12 10.113 -8.219 12.656 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.514 -9.301 10.442 1.00 1.00 H new ATOM 0 HG3 GLN A 12 9.971 -7.825 9.616 1.00 1.00 H new ATOM 0 HE21 GLN A 12 11.146 -10.723 11.137 1.00 1.00 H new ATOM 0 HE22 GLN A 12 12.872 -10.390 10.958 1.00 1.00 H new ATOM 160 N CYS A 13 7.202 -6.453 9.859 1.00 1.00 N ATOM 161 CA CYS A 13 6.821 -5.485 8.791 1.00 1.00 C ATOM 162 C CYS A 13 5.536 -4.754 9.148 1.00 1.00 C ATOM 163 O CYS A 13 5.224 -3.764 8.521 1.00 1.00 O ATOM 164 CB CYS A 13 6.647 -6.237 7.471 1.00 1.00 C ATOM 165 SG CYS A 13 8.063 -6.092 6.365 1.00 1.00 S ATOM 0 H CYS A 13 6.736 -7.358 9.801 1.00 1.00 H new ATOM 0 HA CYS A 13 7.612 -4.742 8.692 1.00 1.00 H new ATOM 0 HB2 CYS A 13 6.469 -7.291 7.684 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.759 -5.861 6.962 1.00 1.00 H new ATOM 170 N TRP A 14 4.815 -5.242 10.124 1.00 1.00 N ATOM 171 CA TRP A 14 3.557 -4.563 10.526 1.00 1.00 C ATOM 172 C TRP A 14 3.850 -3.150 11.106 1.00 1.00 C ATOM 173 O TRP A 14 3.225 -2.202 10.670 1.00 1.00 O ATOM 174 CB TRP A 14 2.855 -5.457 11.554 1.00 1.00 C ATOM 175 CG TRP A 14 2.590 -6.861 10.994 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.487 -7.161 9.675 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.406 -7.987 11.715 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.244 -8.455 9.671 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.176 -9.052 10.849 1.00 1.00 C ATOM 180 CE3 TRP A 14 2.419 -8.205 13.092 1.00 1.00 C ATOM 181 CZ2 TRP A 14 1.956 -10.331 11.352 1.00 1.00 C ATOM 182 CZ3 TRP A 14 2.199 -9.484 13.597 1.00 1.00 C ATOM 183 CH2 TRP A 14 1.968 -10.548 12.727 1.00 1.00 C ATOM 0 H TRP A 14 5.046 -6.081 10.657 1.00 1.00 H new ATOM 0 HA TRP A 14 2.911 -4.415 9.661 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.469 -5.532 12.451 1.00 1.00 H new ATOM 0 HB3 TRP A 14 1.912 -4.999 11.851 1.00 1.00 H new ATOM 0 HD1 TRP A 14 2.582 -6.496 8.829 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.114 -8.972 8.801 1.00 1.00 H new ATOM 0 HE3 TRP A 14 2.600 -7.382 13.767 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.776 -11.154 10.676 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 2.207 -9.652 14.664 1.00 1.00 H new ATOM 0 HH2 TRP A 14 1.798 -11.540 13.119 1.00 1.00 H new ATOM 194 N PRO A 15 4.763 -3.012 12.052 1.00 1.00 N ATOM 195 CA PRO A 15 5.261 -1.675 12.501 1.00 1.00 C ATOM 196 C PRO A 15 5.781 -0.802 11.345 1.00 1.00 C ATOM 197 O PRO A 15 5.505 0.372 11.302 1.00 1.00 O ATOM 198 CB PRO A 15 6.342 -2.005 13.547 1.00 1.00 C ATOM 199 CG PRO A 15 6.788 -3.428 13.141 1.00 1.00 C ATOM 200 CD PRO A 15 5.454 -4.098 12.806 1.00 1.00 C ATOM 0 HA PRO A 15 4.462 -1.064 12.921 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.169 -1.296 13.511 1.00 1.00 H new ATOM 0 HB3 PRO A 15 5.944 -1.980 14.562 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.464 -3.415 12.286 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.309 -3.939 13.951 1.00 1.00 H new ATOM 0 HD2 PRO A 15 5.585 -4.997 12.204 1.00 1.00 H new ATOM 0 HD3 PRO A 15 4.905 -4.391 13.701 1.00 1.00 H new ATOM 208 N VAL A 16 6.519 -1.411 10.449 1.00 1.00 N ATOM 209 CA VAL A 16 7.080 -0.663 9.274 1.00 1.00 C ATOM 210 C VAL A 16 5.907 -0.095 8.456 1.00 1.00 C ATOM 211 O VAL A 16 5.881 1.058 8.112 1.00 1.00 O ATOM 212 CB VAL A 16 7.932 -1.650 8.424 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.510 -0.933 7.183 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.107 -2.175 9.277 1.00 1.00 C ATOM 0 H VAL A 16 6.760 -2.402 10.479 1.00 1.00 H new ATOM 0 HA VAL A 16 7.716 0.162 9.593 1.00 1.00 H new ATOM 0 HB VAL A 16 7.294 -2.473 8.103 1.00 1.00 H new ATOM 0 HG11 VAL A 16 9.103 -1.637 6.599 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.693 -0.551 6.570 1.00 1.00 H new ATOM 0 HG13 VAL A 16 9.142 -0.104 7.503 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.706 -2.867 8.685 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.728 -1.338 9.595 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.717 -2.692 10.154 1.00 1.00 H new ATOM 224 N CYS A 17 4.977 -0.967 8.182 1.00 1.00 N ATOM 225 CA CYS A 17 3.738 -0.643 7.403 1.00 1.00 C ATOM 226 C CYS A 17 2.976 0.452 8.110 1.00 1.00 C ATOM 227 O CYS A 17 2.408 1.330 7.500 1.00 1.00 O ATOM 228 CB CYS A 17 2.899 -1.905 7.330 1.00 1.00 C ATOM 229 SG CYS A 17 1.326 -1.975 6.437 1.00 1.00 S ATOM 0 H CYS A 17 5.026 -1.941 8.480 1.00 1.00 H new ATOM 0 HA CYS A 17 3.985 -0.298 6.399 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.536 -2.679 6.901 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.688 -2.199 8.358 1.00 1.00 H new ATOM 234 N LYS A 18 2.997 0.341 9.405 1.00 1.00 N ATOM 235 CA LYS A 18 2.307 1.334 10.269 1.00 1.00 C ATOM 236 C LYS A 18 3.027 2.680 10.239 1.00 1.00 C ATOM 237 O LYS A 18 2.408 3.721 10.322 1.00 1.00 O ATOM 238 CB LYS A 18 2.245 0.686 11.657 1.00 1.00 C ATOM 239 CG LYS A 18 1.683 1.604 12.757 1.00 1.00 C ATOM 240 CD LYS A 18 2.808 2.480 13.357 1.00 1.00 C ATOM 241 CE LYS A 18 2.199 3.374 14.430 1.00 1.00 C ATOM 242 NZ LYS A 18 3.250 4.239 15.034 1.00 1.00 N ATOM 0 H LYS A 18 3.471 -0.408 9.910 1.00 1.00 H new ATOM 0 HA LYS A 18 1.299 1.569 9.926 1.00 1.00 H new ATOM 0 HB2 LYS A 18 1.630 -0.212 11.599 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.248 0.368 11.942 1.00 1.00 H new ATOM 0 HG2 LYS A 18 0.900 2.240 12.344 1.00 1.00 H new ATOM 0 HG3 LYS A 18 1.224 1.003 13.542 1.00 1.00 H new ATOM 0 HD2 LYS A 18 3.590 1.853 13.785 1.00 1.00 H new ATOM 0 HD3 LYS A 18 3.274 3.085 12.579 1.00 1.00 H new ATOM 0 HE2 LYS A 18 1.413 3.993 13.996 1.00 1.00 H new ATOM 0 HE3 LYS A 18 1.733 2.762 15.202 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 2.824 4.844 15.764 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 3.985 3.643 15.464 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 3.676 4.835 14.296 1.00 1.00 H new ATOM 256 N LYS A 19 4.323 2.623 10.119 1.00 1.00 N ATOM 257 CA LYS A 19 5.136 3.872 10.077 1.00 1.00 C ATOM 258 C LYS A 19 4.875 4.591 8.739 1.00 1.00 C ATOM 259 O LYS A 19 4.608 5.776 8.696 1.00 1.00 O ATOM 260 CB LYS A 19 6.618 3.483 10.207 1.00 1.00 C ATOM 261 CG LYS A 19 7.522 4.740 10.191 1.00 1.00 C ATOM 262 CD LYS A 19 9.029 4.369 10.303 1.00 1.00 C ATOM 263 CE LYS A 19 9.544 3.614 9.049 1.00 1.00 C ATOM 264 NZ LYS A 19 9.058 2.204 9.019 1.00 1.00 N ATOM 0 H LYS A 19 4.859 1.758 10.048 1.00 1.00 H new ATOM 0 HA LYS A 19 4.867 4.545 10.891 1.00 1.00 H new ATOM 0 HB2 LYS A 19 6.773 2.930 11.133 1.00 1.00 H new ATOM 0 HB3 LYS A 19 6.897 2.819 9.389 1.00 1.00 H new ATOM 0 HG2 LYS A 19 7.352 5.298 9.270 1.00 1.00 H new ATOM 0 HG3 LYS A 19 7.247 5.396 11.017 1.00 1.00 H new ATOM 0 HD2 LYS A 19 9.615 5.277 10.444 1.00 1.00 H new ATOM 0 HD3 LYS A 19 9.184 3.750 11.186 1.00 1.00 H new ATOM 0 HE2 LYS A 19 9.213 4.133 8.150 1.00 1.00 H new ATOM 0 HE3 LYS A 19 10.634 3.624 9.040 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 9.826 1.579 8.702 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 8.753 1.922 9.972 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 8.255 2.127 8.362 1.00 1.00 H new ATOM 278 N LEU A 20 4.968 3.815 7.693 1.00 1.00 N ATOM 279 CA LEU A 20 4.772 4.272 6.302 1.00 1.00 C ATOM 280 C LEU A 20 3.362 4.646 5.831 1.00 1.00 C ATOM 281 O LEU A 20 3.164 5.713 5.281 1.00 1.00 O ATOM 282 CB LEU A 20 5.341 3.164 5.427 1.00 1.00 C ATOM 283 CG LEU A 20 6.836 2.879 5.746 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.266 1.643 4.939 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.718 4.079 5.351 1.00 1.00 C ATOM 0 H LEU A 20 5.186 2.821 7.763 1.00 1.00 H new ATOM 0 HA LEU A 20 5.275 5.237 6.230 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.760 2.253 5.571 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.241 3.443 4.378 1.00 1.00 H new ATOM 0 HG LEU A 20 6.955 2.707 6.816 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.313 1.420 5.145 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.651 0.790 5.225 1.00 1.00 H new ATOM 0 HD13 LEU A 20 7.139 1.841 3.875 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.760 3.857 5.583 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.617 4.269 4.282 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.402 4.961 5.908 1.00 1.00 H new ATOM 297 N PHE A 21 2.425 3.764 6.058 1.00 1.00 N ATOM 298 CA PHE A 21 1.026 3.957 5.653 1.00 1.00 C ATOM 299 C PHE A 21 0.123 4.291 6.837 1.00 1.00 C ATOM 300 O PHE A 21 -0.689 5.188 6.766 1.00 1.00 O ATOM 301 CB PHE A 21 0.711 2.648 4.964 1.00 1.00 C ATOM 302 CG PHE A 21 1.722 2.469 3.807 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.512 3.109 2.600 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.856 1.700 3.967 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.423 2.981 1.576 1.00 1.00 C ATOM 306 CE2 PHE A 21 3.768 1.572 2.948 1.00 1.00 C ATOM 307 CZ PHE A 21 3.552 2.213 1.752 1.00 1.00 C ATOM 0 H PHE A 21 2.596 2.877 6.533 1.00 1.00 H new ATOM 0 HA PHE A 21 0.859 4.812 4.998 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.784 1.819 5.667 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.310 2.653 4.582 1.00 1.00 H new ATOM 0 HD1 PHE A 21 0.628 3.713 2.459 1.00 1.00 H new ATOM 0 HD2 PHE A 21 3.029 1.193 4.905 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.252 3.483 0.635 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.653 0.969 3.087 1.00 1.00 H new ATOM 0 HZ PHE A 21 4.268 2.114 0.950 1.00 1.00 H new ATOM 317 N GLY A 22 0.313 3.543 7.886 1.00 1.00 N ATOM 318 CA GLY A 22 -0.474 3.719 9.137 1.00 1.00 C ATOM 319 C GLY A 22 -1.241 2.425 9.391 1.00 1.00 C ATOM 320 O GLY A 22 -2.195 2.418 10.146 1.00 1.00 O ATOM 0 H GLY A 22 1.003 2.793 7.929 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.186 3.943 9.975 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -1.162 4.559 9.040 1.00 1.00 H new ATOM 324 N THR A 23 -0.801 1.370 8.748 1.00 1.00 N ATOM 325 CA THR A 23 -1.448 0.045 8.895 1.00 1.00 C ATOM 326 C THR A 23 -0.500 -0.978 9.516 1.00 1.00 C ATOM 327 O THR A 23 0.691 -0.888 9.358 1.00 1.00 O ATOM 328 CB THR A 23 -1.885 -0.398 7.504 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.963 0.103 6.547 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.264 0.138 7.102 1.00 1.00 C ATOM 0 H THR A 23 -0.001 1.381 8.115 1.00 1.00 H new ATOM 0 HA THR A 23 -2.303 0.119 9.567 1.00 1.00 H new ATOM 0 HB THR A 23 -1.925 -1.487 7.529 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.381 -0.624 6.241 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.514 -0.215 6.101 1.00 1.00 H new ATOM 0 HG22 THR A 23 -4.013 -0.217 7.810 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.247 1.228 7.109 1.00 1.00 H new ATOM 338 N TYR A 24 -1.073 -1.937 10.199 1.00 1.00 N ATOM 339 CA TYR A 24 -0.252 -3.008 10.851 1.00 1.00 C ATOM 340 C TYR A 24 -0.500 -4.279 10.014 1.00 1.00 C ATOM 341 O TYR A 24 -0.404 -5.394 10.489 1.00 1.00 O ATOM 342 CB TYR A 24 -0.751 -3.174 12.314 1.00 1.00 C ATOM 343 CG TYR A 24 0.442 -3.185 13.276 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.108 -2.007 13.539 1.00 1.00 C ATOM 345 CD2 TYR A 24 0.882 -4.347 13.878 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.195 -1.981 14.381 1.00 1.00 C ATOM 347 CE2 TYR A 24 1.973 -4.324 14.724 1.00 1.00 C ATOM 348 CZ TYR A 24 2.636 -3.140 14.980 1.00 1.00 C ATOM 349 OH TYR A 24 3.729 -3.121 15.823 1.00 1.00 O ATOM 0 H TYR A 24 -2.080 -2.026 10.335 1.00 1.00 H new ATOM 0 HA TYR A 24 0.814 -2.784 10.889 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -1.428 -2.359 12.571 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.316 -4.101 12.411 1.00 1.00 H new ATOM 0 HD1 TYR A 24 0.771 -1.091 13.077 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.370 -5.279 13.686 1.00 1.00 H new ATOM 0 HE1 TYR A 24 2.705 -1.048 14.573 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.310 -5.239 15.189 1.00 1.00 H new ATOM 0 HH TYR A 24 3.900 -4.026 16.158 1.00 1.00 H new ATOM 359 N ARG A 25 -0.807 -4.022 8.766 1.00 1.00 N ATOM 360 CA ARG A 25 -1.098 -5.032 7.739 1.00 1.00 C ATOM 361 C ARG A 25 -0.030 -4.945 6.635 1.00 1.00 C ATOM 362 O ARG A 25 -0.262 -4.399 5.575 1.00 1.00 O ATOM 363 CB ARG A 25 -2.494 -4.691 7.263 1.00 1.00 C ATOM 364 CG ARG A 25 -3.541 -5.092 8.319 1.00 1.00 C ATOM 365 CD ARG A 25 -4.941 -4.720 7.807 1.00 1.00 C ATOM 366 NE ARG A 25 -5.935 -5.118 8.849 1.00 1.00 N ATOM 367 CZ ARG A 25 -6.863 -5.991 8.567 1.00 1.00 C ATOM 368 NH1 ARG A 25 -6.579 -7.261 8.636 1.00 1.00 N ATOM 369 NH2 ARG A 25 -8.048 -5.561 8.224 1.00 1.00 N ATOM 0 H ARG A 25 -0.867 -3.069 8.408 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.066 -6.062 8.093 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -2.564 -3.622 7.061 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.700 -5.206 6.325 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -3.485 -6.163 8.516 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.338 -4.583 9.261 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.003 -3.650 7.611 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -5.150 -5.229 6.866 1.00 1.00 H new ATOM 0 HE ARG A 25 -5.888 -4.707 9.781 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -5.642 -7.560 8.907 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -7.293 -7.956 8.419 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -8.234 -4.559 8.180 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -8.787 -6.227 8.000 1.00 1.00 H new ATOM 383 N GLY A 26 1.116 -5.481 6.937 1.00 1.00 N ATOM 384 CA GLY A 26 2.256 -5.487 5.991 1.00 1.00 C ATOM 385 C GLY A 26 2.831 -6.894 5.944 1.00 1.00 C ATOM 386 O GLY A 26 2.681 -7.668 6.869 1.00 1.00 O ATOM 0 H GLY A 26 1.313 -5.930 7.832 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.927 -5.178 4.999 1.00 1.00 H new ATOM 0 HA3 GLY A 26 3.018 -4.776 6.310 1.00 1.00 H new ATOM 390 N LYS A 27 3.480 -7.175 4.851 1.00 1.00 N ATOM 391 CA LYS A 27 4.104 -8.525 4.658 1.00 1.00 C ATOM 392 C LYS A 27 5.534 -8.430 4.134 1.00 1.00 C ATOM 393 O LYS A 27 5.986 -7.386 3.714 1.00 1.00 O ATOM 394 CB LYS A 27 3.269 -9.352 3.649 1.00 1.00 C ATOM 395 CG LYS A 27 1.785 -9.437 4.060 1.00 1.00 C ATOM 396 CD LYS A 27 1.585 -10.198 5.359 1.00 1.00 C ATOM 397 CE LYS A 27 0.122 -10.123 5.814 1.00 1.00 C ATOM 398 NZ LYS A 27 -0.042 -10.894 7.079 1.00 1.00 N ATOM 0 H LYS A 27 3.609 -6.527 4.074 1.00 1.00 H new ATOM 0 HA LYS A 27 4.124 -9.008 5.635 1.00 1.00 H new ATOM 0 HB2 LYS A 27 3.346 -8.901 2.659 1.00 1.00 H new ATOM 0 HB3 LYS A 27 3.683 -10.358 3.574 1.00 1.00 H new ATOM 0 HG2 LYS A 27 1.382 -8.430 4.167 1.00 1.00 H new ATOM 0 HG3 LYS A 27 1.219 -9.924 3.266 1.00 1.00 H new ATOM 0 HD2 LYS A 27 1.876 -11.240 5.224 1.00 1.00 H new ATOM 0 HD3 LYS A 27 2.233 -9.784 6.132 1.00 1.00 H new ATOM 0 HE2 LYS A 27 -0.170 -9.084 5.968 1.00 1.00 H new ATOM 0 HE3 LYS A 27 -0.532 -10.527 5.041 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 -1.033 -10.845 7.390 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 0.221 -11.887 6.917 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 0.572 -10.489 7.814 1.00 1.00 H new ATOM 412 N CYS A 28 6.198 -9.555 4.189 1.00 1.00 N ATOM 413 CA CYS A 28 7.603 -9.675 3.715 1.00 1.00 C ATOM 414 C CYS A 28 7.656 -10.634 2.519 1.00 1.00 C ATOM 415 O CYS A 28 7.389 -11.814 2.648 1.00 1.00 O ATOM 416 CB CYS A 28 8.423 -10.197 4.857 1.00 1.00 C ATOM 417 SG CYS A 28 10.180 -10.498 4.540 1.00 1.00 S ATOM 0 H CYS A 28 5.808 -10.423 4.556 1.00 1.00 H new ATOM 0 HA CYS A 28 7.995 -8.711 3.391 1.00 1.00 H new ATOM 0 HB2 CYS A 28 8.344 -9.489 5.682 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.975 -11.131 5.196 1.00 1.00 H new ATOM 422 N MET A 29 8.000 -10.071 1.389 1.00 1.00 N ATOM 423 CA MET A 29 8.106 -10.843 0.114 1.00 1.00 C ATOM 424 C MET A 29 9.476 -10.555 -0.481 1.00 1.00 C ATOM 425 O MET A 29 9.873 -9.409 -0.555 1.00 1.00 O ATOM 426 CB MET A 29 6.998 -10.386 -0.848 1.00 1.00 C ATOM 427 CG MET A 29 5.627 -10.751 -0.263 1.00 1.00 C ATOM 428 SD MET A 29 4.161 -10.197 -1.170 1.00 1.00 S ATOM 429 CE MET A 29 4.021 -11.590 -2.320 1.00 1.00 C ATOM 0 H MET A 29 8.218 -9.079 1.295 1.00 1.00 H new ATOM 0 HA MET A 29 7.990 -11.913 0.289 1.00 1.00 H new ATOM 0 HB2 MET A 29 7.062 -9.310 -1.008 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.128 -10.861 -1.821 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.577 -11.836 -0.173 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.572 -10.344 0.747 1.00 1.00 H new ATOM 0 HE1 MET A 29 3.164 -11.436 -2.975 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.929 -11.659 -2.920 1.00 1.00 H new ATOM 0 HE3 MET A 29 3.886 -12.514 -1.758 1.00 1.00 H new ATOM 439 N ASN A 30 10.138 -11.605 -0.898 1.00 1.00 N ATOM 440 CA ASN A 30 11.509 -11.504 -1.508 1.00 1.00 C ATOM 441 C ASN A 30 12.338 -10.526 -0.658 1.00 1.00 C ATOM 442 O ASN A 30 12.830 -9.516 -1.126 1.00 1.00 O ATOM 443 CB ASN A 30 11.370 -10.993 -2.967 1.00 1.00 C ATOM 444 CG ASN A 30 10.501 -11.962 -3.782 1.00 1.00 C ATOM 445 OD1 ASN A 30 9.332 -12.154 -3.508 1.00 1.00 O ATOM 446 ND2 ASN A 30 11.036 -12.595 -4.790 1.00 1.00 N ATOM 0 H ASN A 30 9.778 -12.558 -0.841 1.00 1.00 H new ATOM 0 HA ASN A 30 12.008 -12.473 -1.528 1.00 1.00 H new ATOM 0 HB2 ASN A 30 10.923 -9.999 -2.972 1.00 1.00 H new ATOM 0 HB3 ASN A 30 12.355 -10.902 -3.425 1.00 1.00 H new ATOM 0 HD21 ASN A 30 10.474 -13.244 -5.341 1.00 1.00 H new ATOM 0 HD22 ASN A 30 12.016 -12.440 -5.027 1.00 1.00 H new ATOM 453 N SER A 31 12.438 -10.910 0.586 1.00 1.00 N ATOM 454 CA SER A 31 13.175 -10.151 1.650 1.00 1.00 C ATOM 455 C SER A 31 13.029 -8.621 1.506 1.00 1.00 C ATOM 456 O SER A 31 13.943 -7.870 1.784 1.00 1.00 O ATOM 457 CB SER A 31 14.670 -10.565 1.592 1.00 1.00 C ATOM 458 OG SER A 31 15.124 -10.170 0.306 1.00 1.00 O ATOM 0 H SER A 31 12.013 -11.771 0.930 1.00 1.00 H new ATOM 0 HA SER A 31 12.740 -10.403 2.617 1.00 1.00 H new ATOM 0 HB2 SER A 31 15.244 -10.074 2.378 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.785 -11.639 1.736 1.00 1.00 H new ATOM 0 HG SER A 31 16.070 -10.405 0.207 1.00 1.00 H new ATOM 464 N LYS A 32 11.852 -8.232 1.072 1.00 1.00 N ATOM 465 CA LYS A 32 11.508 -6.790 0.867 1.00 1.00 C ATOM 466 C LYS A 32 10.168 -6.617 1.576 1.00 1.00 C ATOM 467 O LYS A 32 9.285 -7.435 1.393 1.00 1.00 O ATOM 468 CB LYS A 32 11.366 -6.495 -0.628 1.00 1.00 C ATOM 469 CG LYS A 32 11.072 -4.984 -0.842 1.00 1.00 C ATOM 470 CD LYS A 32 10.855 -4.681 -2.344 1.00 1.00 C ATOM 471 CE LYS A 32 9.545 -5.328 -2.845 1.00 1.00 C ATOM 472 NZ LYS A 32 9.351 -5.035 -4.294 1.00 1.00 N ATOM 0 H LYS A 32 11.094 -8.876 0.845 1.00 1.00 H new ATOM 0 HA LYS A 32 12.271 -6.114 1.253 1.00 1.00 H new ATOM 0 HB2 LYS A 32 12.280 -6.774 -1.151 1.00 1.00 H new ATOM 0 HB3 LYS A 32 10.560 -7.095 -1.051 1.00 1.00 H new ATOM 0 HG2 LYS A 32 10.187 -4.696 -0.275 1.00 1.00 H new ATOM 0 HG3 LYS A 32 11.902 -4.389 -0.461 1.00 1.00 H new ATOM 0 HD2 LYS A 32 10.818 -3.603 -2.501 1.00 1.00 H new ATOM 0 HD3 LYS A 32 11.698 -5.059 -2.922 1.00 1.00 H new ATOM 0 HE2 LYS A 32 9.578 -6.406 -2.685 1.00 1.00 H new ATOM 0 HE3 LYS A 32 8.700 -4.947 -2.272 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 8.885 -5.844 -4.752 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 8.757 -4.188 -4.400 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 10.275 -4.868 -4.741 1.00 1.00 H new ATOM 486 N CYS A 33 10.024 -5.579 2.357 1.00 1.00 N ATOM 487 CA CYS A 33 8.727 -5.393 3.068 1.00 1.00 C ATOM 488 C CYS A 33 7.582 -4.980 2.136 1.00 1.00 C ATOM 489 O CYS A 33 7.794 -4.612 0.996 1.00 1.00 O ATOM 490 CB CYS A 33 8.939 -4.348 4.156 1.00 1.00 C ATOM 491 SG CYS A 33 7.708 -4.313 5.476 1.00 1.00 S ATOM 0 H CYS A 33 10.732 -4.866 2.531 1.00 1.00 H new ATOM 0 HA CYS A 33 8.425 -6.349 3.495 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.918 -4.514 4.605 1.00 1.00 H new ATOM 0 HB3 CYS A 33 8.966 -3.365 3.686 1.00 1.00 H new ATOM 496 N ARG A 34 6.394 -5.077 2.668 1.00 1.00 N ATOM 497 CA ARG A 34 5.163 -4.717 1.933 1.00 1.00 C ATOM 498 C ARG A 34 4.145 -4.211 2.959 1.00 1.00 C ATOM 499 O ARG A 34 4.206 -4.575 4.117 1.00 1.00 O ATOM 500 CB ARG A 34 4.647 -5.956 1.244 1.00 1.00 C ATOM 501 CG ARG A 34 3.573 -5.588 0.256 1.00 1.00 C ATOM 502 CD ARG A 34 3.122 -6.858 -0.451 1.00 1.00 C ATOM 503 NE ARG A 34 2.001 -6.458 -1.334 1.00 1.00 N ATOM 504 CZ ARG A 34 2.061 -6.670 -2.623 1.00 1.00 C ATOM 505 NH1 ARG A 34 1.703 -7.834 -3.086 1.00 1.00 N ATOM 506 NH2 ARG A 34 2.476 -5.706 -3.396 1.00 1.00 N ATOM 0 H ARG A 34 6.228 -5.405 3.620 1.00 1.00 H new ATOM 0 HA ARG A 34 5.346 -3.945 1.186 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.464 -6.464 0.732 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.250 -6.653 1.982 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.732 -5.118 0.766 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.952 -4.865 -0.466 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.937 -7.294 -1.029 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.802 -7.612 0.268 1.00 1.00 H new ATOM 0 HE ARG A 34 1.175 -6.013 -0.933 1.00 1.00 H new ATOM 0 HH11 ARG A 34 1.383 -8.561 -2.446 1.00 1.00 H new ATOM 0 HH12 ARG A 34 1.743 -8.018 -4.088 1.00 1.00 H new ATOM 0 HH21 ARG A 34 2.746 -4.809 -2.992 1.00 1.00 H new ATOM 0 HH22 ARG A 34 2.531 -5.849 -4.404 1.00 1.00 H new ATOM 520 N CYS A 35 3.250 -3.393 2.483 1.00 1.00 N ATOM 521 CA CYS A 35 2.178 -2.814 3.353 1.00 1.00 C ATOM 522 C CYS A 35 0.860 -2.892 2.584 1.00 1.00 C ATOM 523 O CYS A 35 0.852 -3.171 1.401 1.00 1.00 O ATOM 524 CB CYS A 35 2.450 -1.335 3.681 1.00 1.00 C ATOM 525 SG CYS A 35 1.388 -0.608 4.952 1.00 1.00 S ATOM 0 H CYS A 35 3.212 -3.093 1.509 1.00 1.00 H new ATOM 0 HA CYS A 35 2.146 -3.375 4.287 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.488 -1.237 4.000 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.342 -0.753 2.766 1.00 1.00 H new ATOM 530 N TYR A 36 -0.215 -2.651 3.275 1.00 1.00 N ATOM 531 CA TYR A 36 -1.550 -2.682 2.634 1.00 1.00 C ATOM 532 C TYR A 36 -2.242 -1.351 2.953 1.00 1.00 C ATOM 533 O TYR A 36 -1.760 -0.598 3.776 1.00 1.00 O ATOM 534 CB TYR A 36 -2.313 -3.889 3.200 1.00 1.00 C ATOM 535 CG TYR A 36 -1.598 -5.214 2.819 1.00 1.00 C ATOM 536 CD1 TYR A 36 -1.089 -5.414 1.547 1.00 1.00 C ATOM 537 CD2 TYR A 36 -1.450 -6.236 3.740 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.457 -6.590 1.214 1.00 1.00 C ATOM 539 CE2 TYR A 36 -0.814 -7.415 3.405 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.310 -7.604 2.136 1.00 1.00 C ATOM 541 OH TYR A 36 0.315 -8.763 1.744 1.00 1.00 O ATOM 0 H TYR A 36 -0.223 -2.431 4.271 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.500 -2.793 1.551 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.383 -3.806 4.285 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.332 -3.895 2.814 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -1.190 -4.635 0.805 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -1.839 -6.109 4.739 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -0.070 -6.721 0.214 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -0.711 -8.196 4.144 1.00 1.00 H new ATOM 0 HH TYR A 36 0.971 -8.560 1.045 1.00 1.00 H new