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 Set 1.1: A 27 LYS NZ :NH3+ -163:sc= -2.09 (180deg=-2.69) USER MOD Set 1.2: A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot -38:sc= -0.124 USER MOD Single : A 4 ASN : amide:sc= -0.314 X(o=-0.31,f=-0.32) USER MOD Single : A 6 SER OG : rot 35:sc= 0.546 USER MOD Single : A 8 SER OG : rot -49:sc= 0.685 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0568 USER MOD Single : A 11 SER OG : rot 180:sc= -0.368 USER MOD Single : A 12 GLN : amide:sc= -0.688 X(o=-0.69,f=-1) USER MOD Single : A 18 LYS NZ :NH3+ 160:sc= -0.0226 (180deg=-0.453) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 THR OG1 : rot 104:sc= 2.18 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.541 X(o=-0.54,f=-0.21) USER MOD Single : A 31 SER OG : rot 180:sc= -0.211 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot -30:sc= -2.09 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.840 -0.703 -1.107 1.00 1.00 N ATOM 16 CA PHE A 2 5.211 -1.250 -1.012 1.00 1.00 C ATOM 17 C PHE A 2 6.080 -0.424 -0.060 1.00 1.00 C ATOM 18 O PHE A 2 5.718 0.654 0.344 1.00 1.00 O ATOM 19 CB PHE A 2 5.777 -1.226 -2.408 1.00 1.00 C ATOM 20 CG PHE A 2 5.902 -2.641 -2.960 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.803 -3.532 -2.400 1.00 1.00 C ATOM 22 CD2 PHE A 2 5.127 -3.056 -4.030 1.00 1.00 C ATOM 23 CE1 PHE A 2 6.927 -4.811 -2.900 1.00 1.00 C ATOM 24 CE2 PHE A 2 5.251 -4.335 -4.530 1.00 1.00 C ATOM 25 CZ PHE A 2 6.151 -5.214 -3.965 1.00 1.00 C ATOM 0 HA PHE A 2 5.193 -2.262 -0.608 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.133 -0.632 -3.057 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.755 -0.745 -2.402 1.00 1.00 H new ATOM 0 HD1 PHE A 2 7.413 -3.222 -1.565 1.00 1.00 H new ATOM 0 HD2 PHE A 2 4.420 -2.372 -4.476 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.633 -5.498 -2.457 1.00 1.00 H new ATOM 0 HE2 PHE A 2 4.642 -4.649 -5.365 1.00 1.00 H new ATOM 0 HZ PHE A 2 6.247 -6.216 -4.356 1.00 1.00 H new ATOM 35 N THR A 3 7.211 -0.994 0.248 1.00 1.00 N ATOM 36 CA THR A 3 8.196 -0.336 1.162 1.00 1.00 C ATOM 37 C THR A 3 9.577 -0.482 0.528 1.00 1.00 C ATOM 38 O THR A 3 9.718 -1.087 -0.510 1.00 1.00 O ATOM 39 CB THR A 3 8.202 -1.014 2.560 1.00 1.00 C ATOM 40 OG1 THR A 3 8.769 -2.297 2.367 1.00 1.00 O ATOM 41 CG2 THR A 3 6.753 -1.308 3.030 1.00 1.00 C ATOM 0 H THR A 3 7.503 -1.907 -0.101 1.00 1.00 H new ATOM 0 HA THR A 3 7.926 0.711 1.298 1.00 1.00 H new ATOM 0 HB THR A 3 8.724 -0.374 3.272 1.00 1.00 H new ATOM 0 HG1 THR A 3 8.462 -2.665 1.512 1.00 1.00 H new ATOM 0 HG21 THR A 3 6.778 -1.783 4.011 1.00 1.00 H new ATOM 0 HG22 THR A 3 6.194 -0.374 3.093 1.00 1.00 H new ATOM 0 HG23 THR A 3 6.267 -1.974 2.317 1.00 1.00 H new ATOM 49 N ASN A 4 10.551 0.077 1.187 1.00 1.00 N ATOM 50 CA ASN A 4 11.949 0.001 0.667 1.00 1.00 C ATOM 51 C ASN A 4 12.909 -0.445 1.765 1.00 1.00 C ATOM 52 O ASN A 4 14.069 -0.081 1.752 1.00 1.00 O ATOM 53 CB ASN A 4 12.292 1.388 0.154 1.00 1.00 C ATOM 54 CG ASN A 4 13.588 1.373 -0.664 1.00 1.00 C ATOM 55 OD1 ASN A 4 13.680 0.728 -1.689 1.00 1.00 O ATOM 56 ND2 ASN A 4 14.610 2.067 -0.248 1.00 1.00 N ATOM 0 H ASN A 4 10.442 0.585 2.065 1.00 1.00 H new ATOM 0 HA ASN A 4 12.037 -0.735 -0.132 1.00 1.00 H new ATOM 0 HB2 ASN A 4 11.475 1.763 -0.462 1.00 1.00 H new ATOM 0 HB3 ASN A 4 12.398 2.073 0.995 1.00 1.00 H new ATOM 0 HD21 ASN A 4 15.479 2.066 -0.782 1.00 1.00 H new ATOM 0 HD22 ASN A 4 14.541 2.611 0.612 1.00 1.00 H new ATOM 63 N VAL A 5 12.411 -1.231 2.688 1.00 1.00 N ATOM 64 CA VAL A 5 13.281 -1.713 3.785 1.00 1.00 C ATOM 65 C VAL A 5 13.300 -3.234 3.832 1.00 1.00 C ATOM 66 O VAL A 5 12.336 -3.883 3.478 1.00 1.00 O ATOM 67 CB VAL A 5 12.751 -1.153 5.088 1.00 1.00 C ATOM 68 CG1 VAL A 5 12.963 0.370 5.144 1.00 1.00 C ATOM 69 CG2 VAL A 5 11.262 -1.471 5.283 1.00 1.00 C ATOM 0 H VAL A 5 11.444 -1.554 2.723 1.00 1.00 H new ATOM 0 HA VAL A 5 14.304 -1.377 3.618 1.00 1.00 H new ATOM 0 HB VAL A 5 13.308 -1.630 5.894 1.00 1.00 H new ATOM 0 HG11 VAL A 5 12.577 0.757 6.087 1.00 1.00 H new ATOM 0 HG12 VAL A 5 14.028 0.592 5.070 1.00 1.00 H new ATOM 0 HG13 VAL A 5 12.435 0.842 4.315 1.00 1.00 H new ATOM 0 HG21 VAL A 5 10.921 -1.052 6.230 1.00 1.00 H new ATOM 0 HG22 VAL A 5 10.687 -1.036 4.465 1.00 1.00 H new ATOM 0 HG23 VAL A 5 11.119 -2.552 5.293 1.00 1.00 H new ATOM 79 N SER A 6 14.417 -3.746 4.278 1.00 1.00 N ATOM 80 CA SER A 6 14.570 -5.221 4.380 1.00 1.00 C ATOM 81 C SER A 6 13.716 -5.786 5.523 1.00 1.00 C ATOM 82 O SER A 6 13.531 -5.128 6.530 1.00 1.00 O ATOM 83 CB SER A 6 16.055 -5.547 4.616 1.00 1.00 C ATOM 84 OG SER A 6 16.110 -6.967 4.614 1.00 1.00 O ATOM 0 H SER A 6 15.228 -3.204 4.575 1.00 1.00 H new ATOM 0 HA SER A 6 14.228 -5.682 3.453 1.00 1.00 H new ATOM 0 HB2 SER A 6 16.684 -5.124 3.833 1.00 1.00 H new ATOM 0 HB3 SER A 6 16.406 -5.137 5.563 1.00 1.00 H new ATOM 0 HG SER A 6 15.458 -7.319 3.972 1.00 1.00 H new ATOM 90 N CYS A 7 13.223 -6.983 5.330 1.00 1.00 N ATOM 91 CA CYS A 7 12.381 -7.648 6.378 1.00 1.00 C ATOM 92 C CYS A 7 12.849 -9.078 6.600 1.00 1.00 C ATOM 93 O CYS A 7 13.526 -9.654 5.770 1.00 1.00 O ATOM 94 CB CYS A 7 10.908 -7.687 5.948 1.00 1.00 C ATOM 95 SG CYS A 7 10.524 -8.300 4.290 1.00 1.00 S ATOM 0 H CYS A 7 13.368 -7.535 4.485 1.00 1.00 H new ATOM 0 HA CYS A 7 12.481 -7.071 7.298 1.00 1.00 H new ATOM 0 HB2 CYS A 7 10.367 -8.303 6.666 1.00 1.00 H new ATOM 0 HB3 CYS A 7 10.509 -6.676 6.031 1.00 1.00 H new ATOM 100 N SER A 8 12.454 -9.590 7.733 1.00 1.00 N ATOM 101 CA SER A 8 12.814 -10.983 8.115 1.00 1.00 C ATOM 102 C SER A 8 11.487 -11.704 8.423 1.00 1.00 C ATOM 103 O SER A 8 11.441 -12.550 9.292 1.00 1.00 O ATOM 104 CB SER A 8 13.751 -10.914 9.345 1.00 1.00 C ATOM 105 OG SER A 8 14.131 -12.262 9.583 1.00 1.00 O ATOM 0 H SER A 8 11.888 -9.093 8.421 1.00 1.00 H new ATOM 0 HA SER A 8 13.342 -11.527 7.332 1.00 1.00 H new ATOM 0 HB2 SER A 8 14.620 -10.286 9.147 1.00 1.00 H new ATOM 0 HB3 SER A 8 13.241 -10.488 10.209 1.00 1.00 H new ATOM 0 HG SER A 8 13.333 -12.832 9.583 1.00 1.00 H new ATOM 111 N ALA A 9 10.476 -11.310 7.668 1.00 1.00 N ATOM 112 CA ALA A 9 9.059 -11.833 7.730 1.00 1.00 C ATOM 113 C ALA A 9 8.037 -10.708 7.956 1.00 1.00 C ATOM 114 O ALA A 9 8.381 -9.615 8.361 1.00 1.00 O ATOM 115 CB ALA A 9 8.839 -12.851 8.886 1.00 1.00 C ATOM 0 H ALA A 9 10.590 -10.589 6.956 1.00 1.00 H new ATOM 0 HA ALA A 9 8.910 -12.315 6.764 1.00 1.00 H new ATOM 0 HB1 ALA A 9 7.803 -13.191 8.879 1.00 1.00 H new ATOM 0 HB2 ALA A 9 9.502 -13.705 8.750 1.00 1.00 H new ATOM 0 HB3 ALA A 9 9.057 -12.371 9.840 1.00 1.00 H new ATOM 121 N SER A 10 6.801 -11.047 7.668 1.00 1.00 N ATOM 122 CA SER A 10 5.639 -10.108 7.817 1.00 1.00 C ATOM 123 C SER A 10 5.669 -9.381 9.161 1.00 1.00 C ATOM 124 O SER A 10 5.330 -8.218 9.242 1.00 1.00 O ATOM 125 CB SER A 10 4.336 -10.912 7.680 1.00 1.00 C ATOM 126 OG SER A 10 4.381 -11.454 6.365 1.00 1.00 O ATOM 0 H SER A 10 6.541 -11.971 7.323 1.00 1.00 H new ATOM 0 HA SER A 10 5.700 -9.349 7.037 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.276 -11.700 8.431 1.00 1.00 H new ATOM 0 HB3 SER A 10 3.462 -10.275 7.816 1.00 1.00 H new ATOM 0 HG SER A 10 3.575 -11.987 6.203 1.00 1.00 H new ATOM 132 N SER A 11 6.064 -10.091 10.187 1.00 1.00 N ATOM 133 CA SER A 11 6.153 -9.523 11.547 1.00 1.00 C ATOM 134 C SER A 11 7.010 -8.246 11.523 1.00 1.00 C ATOM 135 O SER A 11 6.610 -7.210 12.014 1.00 1.00 O ATOM 136 CB SER A 11 6.742 -10.636 12.410 1.00 1.00 C ATOM 137 OG SER A 11 7.955 -11.020 11.775 1.00 1.00 O ATOM 0 H SER A 11 6.335 -11.072 10.125 1.00 1.00 H new ATOM 0 HA SER A 11 5.190 -9.214 11.952 1.00 1.00 H new ATOM 0 HB2 SER A 11 6.926 -10.287 13.426 1.00 1.00 H new ATOM 0 HB3 SER A 11 6.055 -11.479 12.483 1.00 1.00 H new ATOM 0 HG SER A 11 8.381 -11.736 12.290 1.00 1.00 H new ATOM 143 N GLN A 12 8.168 -8.396 10.934 1.00 1.00 N ATOM 144 CA GLN A 12 9.176 -7.298 10.780 1.00 1.00 C ATOM 145 C GLN A 12 8.716 -6.234 9.758 1.00 1.00 C ATOM 146 O GLN A 12 9.426 -5.283 9.497 1.00 1.00 O ATOM 147 CB GLN A 12 10.477 -7.952 10.317 1.00 1.00 C ATOM 148 CG GLN A 12 10.830 -9.145 11.239 1.00 1.00 C ATOM 149 CD GLN A 12 11.657 -8.683 12.444 1.00 1.00 C ATOM 150 OE1 GLN A 12 11.247 -7.839 13.216 1.00 1.00 O ATOM 151 NE2 GLN A 12 12.832 -9.216 12.635 1.00 1.00 N ATOM 0 H GLN A 12 8.472 -9.283 10.532 1.00 1.00 H new ATOM 0 HA GLN A 12 9.307 -6.778 11.729 1.00 1.00 H new ATOM 0 HB2 GLN A 12 10.374 -8.296 9.288 1.00 1.00 H new ATOM 0 HB3 GLN A 12 11.285 -7.221 10.330 1.00 1.00 H new ATOM 0 HG2 GLN A 12 9.915 -9.625 11.585 1.00 1.00 H new ATOM 0 HG3 GLN A 12 11.389 -9.892 10.675 1.00 1.00 H new ATOM 0 HE21 GLN A 12 13.181 -9.925 11.990 1.00 1.00 H new ATOM 0 HE22 GLN A 12 13.402 -8.924 13.429 1.00 1.00 H new ATOM 160 N CYS A 13 7.541 -6.436 9.216 1.00 1.00 N ATOM 161 CA CYS A 13 6.948 -5.508 8.201 1.00 1.00 C ATOM 162 C CYS A 13 5.789 -4.685 8.735 1.00 1.00 C ATOM 163 O CYS A 13 5.629 -3.547 8.361 1.00 1.00 O ATOM 164 CB CYS A 13 6.489 -6.357 7.041 1.00 1.00 C ATOM 165 SG CYS A 13 5.869 -5.554 5.549 1.00 1.00 S ATOM 0 H CYS A 13 6.948 -7.234 9.443 1.00 1.00 H new ATOM 0 HA CYS A 13 7.707 -4.784 7.906 1.00 1.00 H new ATOM 0 HB2 CYS A 13 7.326 -6.991 6.748 1.00 1.00 H new ATOM 0 HB3 CYS A 13 5.703 -7.016 7.409 1.00 1.00 H new ATOM 170 N TRP A 14 5.000 -5.270 9.586 1.00 1.00 N ATOM 171 CA TRP A 14 3.835 -4.562 10.172 1.00 1.00 C ATOM 172 C TRP A 14 4.204 -3.159 10.716 1.00 1.00 C ATOM 173 O TRP A 14 3.540 -2.201 10.366 1.00 1.00 O ATOM 174 CB TRP A 14 3.264 -5.452 11.282 1.00 1.00 C ATOM 175 CG TRP A 14 2.950 -6.867 10.769 1.00 1.00 C ATOM 176 CD1 TRP A 14 2.670 -7.196 9.479 1.00 1.00 C ATOM 177 CD2 TRP A 14 2.898 -7.981 11.528 1.00 1.00 C ATOM 178 NE1 TRP A 14 2.465 -8.495 9.536 1.00 1.00 N ATOM 179 CE2 TRP A 14 2.577 -9.068 10.721 1.00 1.00 C ATOM 180 CE3 TRP A 14 3.104 -8.168 12.895 1.00 1.00 C ATOM 181 CZ2 TRP A 14 2.465 -10.340 11.275 1.00 1.00 C ATOM 182 CZ3 TRP A 14 2.990 -9.441 13.449 1.00 1.00 C ATOM 183 CH2 TRP A 14 2.670 -10.528 12.638 1.00 1.00 C ATOM 0 H TRP A 14 5.117 -6.231 9.907 1.00 1.00 H new ATOM 0 HA TRP A 14 3.091 -4.388 9.394 1.00 1.00 H new ATOM 0 HB2 TRP A 14 3.978 -5.513 12.104 1.00 1.00 H new ATOM 0 HB3 TRP A 14 2.356 -4.999 11.681 1.00 1.00 H new ATOM 0 HD1 TRP A 14 2.626 -6.548 8.616 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.230 -9.035 8.703 1.00 1.00 H new ATOM 0 HE3 TRP A 14 3.352 -7.326 13.524 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.219 -11.182 10.646 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 3.150 -9.586 14.507 1.00 1.00 H new ATOM 0 HH2 TRP A 14 2.581 -11.515 13.067 1.00 1.00 H new ATOM 194 N PRO A 15 5.232 -3.047 11.537 1.00 1.00 N ATOM 195 CA PRO A 15 5.758 -1.729 11.985 1.00 1.00 C ATOM 196 C PRO A 15 6.201 -0.856 10.806 1.00 1.00 C ATOM 197 O PRO A 15 6.001 0.335 10.829 1.00 1.00 O ATOM 198 CB PRO A 15 6.901 -2.082 12.947 1.00 1.00 C ATOM 199 CG PRO A 15 7.370 -3.455 12.421 1.00 1.00 C ATOM 200 CD PRO A 15 6.038 -4.156 12.130 1.00 1.00 C ATOM 0 HA PRO A 15 5.000 -1.121 12.479 1.00 1.00 H new ATOM 0 HB2 PRO A 15 7.700 -1.341 12.916 1.00 1.00 H new ATOM 0 HB3 PRO A 15 6.559 -2.139 13.980 1.00 1.00 H new ATOM 0 HG2 PRO A 15 7.986 -3.361 11.526 1.00 1.00 H new ATOM 0 HG3 PRO A 15 7.962 -3.995 13.160 1.00 1.00 H new ATOM 0 HD2 PRO A 15 6.157 -4.990 11.438 1.00 1.00 H new ATOM 0 HD3 PRO A 15 5.580 -4.556 13.035 1.00 1.00 H new ATOM 208 N VAL A 16 6.788 -1.473 9.808 1.00 1.00 N ATOM 209 CA VAL A 16 7.249 -0.675 8.621 1.00 1.00 C ATOM 210 C VAL A 16 5.997 -0.032 8.005 1.00 1.00 C ATOM 211 O VAL A 16 5.886 1.163 7.904 1.00 1.00 O ATOM 212 CB VAL A 16 7.943 -1.627 7.611 1.00 1.00 C ATOM 213 CG1 VAL A 16 8.292 -0.866 6.327 1.00 1.00 C ATOM 214 CG2 VAL A 16 9.232 -2.196 8.241 1.00 1.00 C ATOM 0 H VAL A 16 6.967 -2.476 9.760 1.00 1.00 H new ATOM 0 HA VAL A 16 7.966 0.097 8.900 1.00 1.00 H new ATOM 0 HB VAL A 16 7.264 -2.444 7.367 1.00 1.00 H new ATOM 0 HG11 VAL A 16 8.779 -1.542 5.624 1.00 1.00 H new ATOM 0 HG12 VAL A 16 7.380 -0.471 5.879 1.00 1.00 H new ATOM 0 HG13 VAL A 16 8.966 -0.042 6.564 1.00 1.00 H new ATOM 0 HG21 VAL A 16 9.719 -2.865 7.531 1.00 1.00 H new ATOM 0 HG22 VAL A 16 9.907 -1.377 8.491 1.00 1.00 H new ATOM 0 HG23 VAL A 16 8.981 -2.748 9.147 1.00 1.00 H new ATOM 224 N CYS A 17 5.105 -0.901 7.619 1.00 1.00 N ATOM 225 CA CYS A 17 3.787 -0.562 6.996 1.00 1.00 C ATOM 226 C CYS A 17 3.092 0.499 7.818 1.00 1.00 C ATOM 227 O CYS A 17 2.467 1.401 7.303 1.00 1.00 O ATOM 228 CB CYS A 17 2.972 -1.848 6.965 1.00 1.00 C ATOM 229 SG CYS A 17 1.318 -1.948 6.236 1.00 1.00 S ATOM 0 H CYS A 17 5.248 -1.906 7.718 1.00 1.00 H new ATOM 0 HA CYS A 17 3.910 -0.166 5.988 1.00 1.00 H new ATOM 0 HB2 CYS A 17 3.583 -2.589 6.450 1.00 1.00 H new ATOM 0 HB3 CYS A 17 2.875 -2.178 7.999 1.00 1.00 H new ATOM 234 N LYS A 18 3.234 0.327 9.102 1.00 1.00 N ATOM 235 CA LYS A 18 2.628 1.270 10.074 1.00 1.00 C ATOM 236 C LYS A 18 3.289 2.638 9.983 1.00 1.00 C ATOM 237 O LYS A 18 2.611 3.645 10.031 1.00 1.00 O ATOM 238 CB LYS A 18 2.778 0.577 11.438 1.00 1.00 C ATOM 239 CG LYS A 18 2.521 1.464 12.672 1.00 1.00 C ATOM 240 CD LYS A 18 3.792 2.280 13.014 1.00 1.00 C ATOM 241 CE LYS A 18 3.538 3.116 14.261 1.00 1.00 C ATOM 242 NZ LYS A 18 3.279 2.242 15.441 1.00 1.00 N ATOM 0 H LYS A 18 3.755 -0.442 9.523 1.00 1.00 H new ATOM 0 HA LYS A 18 1.576 1.480 9.881 1.00 1.00 H new ATOM 0 HB2 LYS A 18 2.091 -0.269 11.472 1.00 1.00 H new ATOM 0 HB3 LYS A 18 3.787 0.171 11.509 1.00 1.00 H new ATOM 0 HG2 LYS A 18 1.687 2.139 12.477 1.00 1.00 H new ATOM 0 HG3 LYS A 18 2.237 0.844 13.523 1.00 1.00 H new ATOM 0 HD2 LYS A 18 4.635 1.609 13.179 1.00 1.00 H new ATOM 0 HD3 LYS A 18 4.058 2.926 12.178 1.00 1.00 H new ATOM 0 HE2 LYS A 18 4.399 3.754 14.458 1.00 1.00 H new ATOM 0 HE3 LYS A 18 2.685 3.774 14.096 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 3.443 2.781 16.315 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 2.293 1.911 15.418 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 3.920 1.423 15.414 1.00 1.00 H new ATOM 256 N LYS A 19 4.588 2.656 9.852 1.00 1.00 N ATOM 257 CA LYS A 19 5.283 3.976 9.755 1.00 1.00 C ATOM 258 C LYS A 19 4.977 4.658 8.410 1.00 1.00 C ATOM 259 O LYS A 19 4.719 5.846 8.357 1.00 1.00 O ATOM 260 CB LYS A 19 6.808 3.763 9.898 1.00 1.00 C ATOM 261 CG LYS A 19 7.187 3.313 11.339 1.00 1.00 C ATOM 262 CD LYS A 19 6.858 4.386 12.414 1.00 1.00 C ATOM 263 CE LYS A 19 7.639 5.689 12.160 1.00 1.00 C ATOM 264 NZ LYS A 19 7.344 6.672 13.240 1.00 1.00 N ATOM 0 H LYS A 19 5.190 1.833 9.808 1.00 1.00 H new ATOM 0 HA LYS A 19 4.923 4.621 10.556 1.00 1.00 H new ATOM 0 HB2 LYS A 19 7.141 3.012 9.182 1.00 1.00 H new ATOM 0 HB3 LYS A 19 7.330 4.688 9.655 1.00 1.00 H new ATOM 0 HG2 LYS A 19 6.656 2.392 11.578 1.00 1.00 H new ATOM 0 HG3 LYS A 19 8.252 3.085 11.375 1.00 1.00 H new ATOM 0 HD2 LYS A 19 5.788 4.594 12.408 1.00 1.00 H new ATOM 0 HD3 LYS A 19 7.102 4.000 13.403 1.00 1.00 H new ATOM 0 HE2 LYS A 19 8.709 5.482 12.126 1.00 1.00 H new ATOM 0 HE3 LYS A 19 7.364 6.106 11.191 1.00 1.00 H new ATOM 0 HZ1 LYS A 19 7.873 7.550 13.064 1.00 1.00 H new ATOM 0 HZ2 LYS A 19 6.325 6.879 13.252 1.00 1.00 H new ATOM 0 HZ3 LYS A 19 7.628 6.274 14.158 1.00 1.00 H new ATOM 278 N LEU A 20 5.018 3.877 7.361 1.00 1.00 N ATOM 279 CA LEU A 20 4.764 4.349 5.985 1.00 1.00 C ATOM 280 C LEU A 20 3.337 4.737 5.583 1.00 1.00 C ATOM 281 O LEU A 20 3.120 5.804 5.041 1.00 1.00 O ATOM 282 CB LEU A 20 5.273 3.250 5.073 1.00 1.00 C ATOM 283 CG LEU A 20 6.774 2.940 5.313 1.00 1.00 C ATOM 284 CD1 LEU A 20 7.150 1.761 4.412 1.00 1.00 C ATOM 285 CD2 LEU A 20 7.658 4.155 4.969 1.00 1.00 C ATOM 0 H LEU A 20 5.229 2.881 7.418 1.00 1.00 H new ATOM 0 HA LEU A 20 5.277 5.307 5.903 1.00 1.00 H new ATOM 0 HB2 LEU A 20 4.686 2.346 5.234 1.00 1.00 H new ATOM 0 HB3 LEU A 20 5.126 3.545 4.034 1.00 1.00 H new ATOM 0 HG LEU A 20 6.935 2.703 6.365 1.00 1.00 H new ATOM 0 HD11 LEU A 20 8.202 1.515 4.555 1.00 1.00 H new ATOM 0 HD12 LEU A 20 6.537 0.897 4.669 1.00 1.00 H new ATOM 0 HD13 LEU A 20 6.979 2.030 3.370 1.00 1.00 H new ATOM 0 HD21 LEU A 20 8.704 3.906 5.148 1.00 1.00 H new ATOM 0 HD22 LEU A 20 7.522 4.419 3.920 1.00 1.00 H new ATOM 0 HD23 LEU A 20 7.374 5.001 5.596 1.00 1.00 H new ATOM 297 N PHE A 21 2.408 3.860 5.860 1.00 1.00 N ATOM 298 CA PHE A 21 0.991 4.058 5.525 1.00 1.00 C ATOM 299 C PHE A 21 0.156 4.397 6.758 1.00 1.00 C ATOM 300 O PHE A 21 -0.655 5.294 6.730 1.00 1.00 O ATOM 301 CB PHE A 21 0.644 2.744 4.853 1.00 1.00 C ATOM 302 CG PHE A 21 1.594 2.564 3.641 1.00 1.00 C ATOM 303 CD1 PHE A 21 1.361 3.272 2.477 1.00 1.00 C ATOM 304 CD2 PHE A 21 2.695 1.732 3.709 1.00 1.00 C ATOM 305 CE1 PHE A 21 2.215 3.151 1.404 1.00 1.00 C ATOM 306 CE2 PHE A 21 3.547 1.609 2.637 1.00 1.00 C ATOM 307 CZ PHE A 21 3.307 2.320 1.485 1.00 1.00 C ATOM 0 H PHE A 21 2.598 2.974 6.329 1.00 1.00 H new ATOM 0 HA PHE A 21 0.785 4.910 4.878 1.00 1.00 H new ATOM 0 HB2 PHE A 21 0.757 1.916 5.553 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -0.396 2.745 4.526 1.00 1.00 H new ATOM 0 HD1 PHE A 21 0.503 3.925 2.409 1.00 1.00 H new ATOM 0 HD2 PHE A 21 2.888 1.173 4.613 1.00 1.00 H new ATOM 0 HE1 PHE A 21 2.027 3.709 0.499 1.00 1.00 H new ATOM 0 HE2 PHE A 21 4.404 0.955 2.700 1.00 1.00 H new ATOM 0 HZ PHE A 21 3.977 2.226 0.643 1.00 1.00 H new ATOM 317 N GLY A 22 0.403 3.650 7.800 1.00 1.00 N ATOM 318 CA GLY A 22 -0.315 3.836 9.091 1.00 1.00 C ATOM 319 C GLY A 22 -1.080 2.552 9.388 1.00 1.00 C ATOM 320 O GLY A 22 -1.990 2.552 10.194 1.00 1.00 O ATOM 0 H GLY A 22 1.092 2.898 7.808 1.00 1.00 H new ATOM 0 HA2 GLY A 22 0.391 4.054 9.893 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -0.999 4.682 9.029 1.00 1.00 H new ATOM 324 N THR A 23 -0.679 1.492 8.725 1.00 1.00 N ATOM 325 CA THR A 23 -1.320 0.171 8.905 1.00 1.00 C ATOM 326 C THR A 23 -0.336 -0.836 9.495 1.00 1.00 C ATOM 327 O THR A 23 0.827 -0.814 9.175 1.00 1.00 O ATOM 328 CB THR A 23 -1.807 -0.260 7.529 1.00 1.00 C ATOM 329 OG1 THR A 23 -0.858 0.189 6.577 1.00 1.00 O ATOM 330 CG2 THR A 23 -3.143 0.370 7.122 1.00 1.00 C ATOM 0 H THR A 23 0.087 1.499 8.051 1.00 1.00 H new ATOM 0 HA THR A 23 -2.152 0.226 9.607 1.00 1.00 H new ATOM 0 HB THR A 23 -1.933 -1.342 7.565 1.00 1.00 H new ATOM 0 HG1 THR A 23 -0.316 -0.569 6.273 1.00 1.00 H new ATOM 0 HG21 THR A 23 -3.425 0.016 6.131 1.00 1.00 H new ATOM 0 HG22 THR A 23 -3.912 0.088 7.841 1.00 1.00 H new ATOM 0 HG23 THR A 23 -3.043 1.455 7.105 1.00 1.00 H new ATOM 338 N TYR A 24 -0.845 -1.708 10.331 1.00 1.00 N ATOM 339 CA TYR A 24 0.017 -2.751 10.966 1.00 1.00 C ATOM 340 C TYR A 24 -0.320 -4.073 10.258 1.00 1.00 C ATOM 341 O TYR A 24 -0.181 -5.153 10.800 1.00 1.00 O ATOM 342 CB TYR A 24 -0.314 -2.827 12.481 1.00 1.00 C ATOM 343 CG TYR A 24 0.963 -3.094 13.279 1.00 1.00 C ATOM 344 CD1 TYR A 24 1.824 -2.046 13.515 1.00 1.00 C ATOM 345 CD2 TYR A 24 1.292 -4.347 13.757 1.00 1.00 C ATOM 346 CE1 TYR A 24 2.996 -2.230 14.210 1.00 1.00 C ATOM 347 CE2 TYR A 24 2.467 -4.534 14.457 1.00 1.00 C ATOM 348 CZ TYR A 24 3.326 -3.476 14.684 1.00 1.00 C ATOM 349 OH TYR A 24 4.502 -3.669 15.380 1.00 1.00 O ATOM 0 H TYR A 24 -1.828 -1.741 10.602 1.00 1.00 H new ATOM 0 HA TYR A 24 1.080 -2.529 10.871 1.00 1.00 H new ATOM 0 HB2 TYR A 24 -0.770 -1.893 12.810 1.00 1.00 H new ATOM 0 HB3 TYR A 24 -1.040 -3.619 12.664 1.00 1.00 H new ATOM 0 HD1 TYR A 24 1.574 -1.062 13.148 1.00 1.00 H new ATOM 0 HD2 TYR A 24 0.629 -5.182 13.583 1.00 1.00 H new ATOM 0 HE1 TYR A 24 3.658 -1.394 14.383 1.00 1.00 H new ATOM 0 HE2 TYR A 24 2.717 -5.516 14.831 1.00 1.00 H new ATOM 0 HH TYR A 24 4.576 -4.610 15.642 1.00 1.00 H new ATOM 359 N ARG A 25 -0.762 -3.904 9.037 1.00 1.00 N ATOM 360 CA ARG A 25 -1.170 -4.981 8.132 1.00 1.00 C ATOM 361 C ARG A 25 -0.246 -4.905 6.896 1.00 1.00 C ATOM 362 O ARG A 25 -0.572 -4.284 5.903 1.00 1.00 O ATOM 363 CB ARG A 25 -2.652 -4.686 7.865 1.00 1.00 C ATOM 364 CG ARG A 25 -3.171 -5.678 6.888 1.00 1.00 C ATOM 365 CD ARG A 25 -4.664 -5.447 6.612 1.00 1.00 C ATOM 366 NE ARG A 25 -5.098 -6.458 5.601 1.00 1.00 N ATOM 367 CZ ARG A 25 -5.518 -6.075 4.425 1.00 1.00 C ATOM 368 NH1 ARG A 25 -6.597 -5.347 4.338 1.00 1.00 N ATOM 369 NH2 ARG A 25 -4.839 -6.436 3.371 1.00 1.00 N ATOM 0 H ARG A 25 -0.856 -2.979 8.617 1.00 1.00 H new ATOM 0 HA ARG A 25 -1.077 -6.001 8.504 1.00 1.00 H new ATOM 0 HB2 ARG A 25 -3.220 -4.739 8.794 1.00 1.00 H new ATOM 0 HB3 ARG A 25 -2.771 -3.675 7.475 1.00 1.00 H new ATOM 0 HG2 ARG A 25 -2.609 -5.605 5.957 1.00 1.00 H new ATOM 0 HG3 ARG A 25 -3.020 -6.687 7.273 1.00 1.00 H new ATOM 0 HD2 ARG A 25 -5.243 -5.550 7.529 1.00 1.00 H new ATOM 0 HD3 ARG A 25 -4.833 -4.436 6.240 1.00 1.00 H new ATOM 0 HE ARG A 25 -5.066 -7.451 5.830 1.00 1.00 H new ATOM 0 HH11 ARG A 25 -7.103 -5.083 5.183 1.00 1.00 H new ATOM 0 HH12 ARG A 25 -6.934 -5.042 3.425 1.00 1.00 H new ATOM 0 HH21 ARG A 25 -3.999 -7.005 3.476 1.00 1.00 H new ATOM 0 HH22 ARG A 25 -5.148 -6.149 2.442 1.00 1.00 H new ATOM 383 N GLY A 26 0.890 -5.533 7.013 1.00 1.00 N ATOM 384 CA GLY A 26 1.902 -5.572 5.929 1.00 1.00 C ATOM 385 C GLY A 26 2.356 -7.025 5.801 1.00 1.00 C ATOM 386 O GLY A 26 2.055 -7.862 6.631 1.00 1.00 O ATOM 0 H GLY A 26 1.166 -6.041 7.853 1.00 1.00 H new ATOM 0 HA2 GLY A 26 1.477 -5.216 4.991 1.00 1.00 H new ATOM 0 HA3 GLY A 26 2.745 -4.923 6.164 1.00 1.00 H new ATOM 390 N LYS A 27 3.074 -7.278 4.746 1.00 1.00 N ATOM 391 CA LYS A 27 3.598 -8.642 4.468 1.00 1.00 C ATOM 392 C LYS A 27 5.043 -8.521 3.953 1.00 1.00 C ATOM 393 O LYS A 27 5.417 -7.491 3.430 1.00 1.00 O ATOM 394 CB LYS A 27 2.582 -9.238 3.473 1.00 1.00 C ATOM 395 CG LYS A 27 3.052 -10.542 2.829 1.00 1.00 C ATOM 396 CD LYS A 27 3.564 -10.248 1.411 1.00 1.00 C ATOM 397 CE LYS A 27 2.405 -10.029 0.420 1.00 1.00 C ATOM 398 NZ LYS A 27 2.908 -10.016 -0.971 1.00 1.00 N ATOM 0 H LYS A 27 3.326 -6.579 4.047 1.00 1.00 H new ATOM 0 HA LYS A 27 3.676 -9.304 5.330 1.00 1.00 H new ATOM 0 HB2 LYS A 27 1.640 -9.417 3.991 1.00 1.00 H new ATOM 0 HB3 LYS A 27 2.381 -8.507 2.690 1.00 1.00 H new ATOM 0 HG2 LYS A 27 3.843 -10.993 3.428 1.00 1.00 H new ATOM 0 HG3 LYS A 27 2.232 -11.259 2.791 1.00 1.00 H new ATOM 0 HD2 LYS A 27 4.199 -9.362 1.430 1.00 1.00 H new ATOM 0 HD3 LYS A 27 4.184 -11.077 1.069 1.00 1.00 H new ATOM 0 HE2 LYS A 27 1.664 -10.820 0.538 1.00 1.00 H new ATOM 0 HE3 LYS A 27 1.903 -9.087 0.640 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 2.193 -9.590 -1.595 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 3.785 -9.458 -1.018 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 3.101 -10.990 -1.280 1.00 1.00 H new ATOM 412 N CYS A 28 5.811 -9.571 4.110 1.00 1.00 N ATOM 413 CA CYS A 28 7.236 -9.562 3.647 1.00 1.00 C ATOM 414 C CYS A 28 7.497 -10.458 2.435 1.00 1.00 C ATOM 415 O CYS A 28 7.120 -11.614 2.416 1.00 1.00 O ATOM 416 CB CYS A 28 8.097 -10.009 4.818 1.00 1.00 C ATOM 417 SG CYS A 28 9.878 -10.194 4.553 1.00 1.00 S ATOM 0 H CYS A 28 5.509 -10.444 4.544 1.00 1.00 H new ATOM 0 HA CYS A 28 7.480 -8.551 3.320 1.00 1.00 H new ATOM 0 HB2 CYS A 28 7.954 -9.294 5.628 1.00 1.00 H new ATOM 0 HB3 CYS A 28 7.712 -10.967 5.167 1.00 1.00 H new ATOM 422 N MET A 29 8.140 -9.867 1.456 1.00 1.00 N ATOM 423 CA MET A 29 8.492 -10.576 0.191 1.00 1.00 C ATOM 424 C MET A 29 9.916 -10.240 -0.178 1.00 1.00 C ATOM 425 O MET A 29 10.336 -9.110 -0.058 1.00 1.00 O ATOM 426 CB MET A 29 7.612 -10.130 -0.939 1.00 1.00 C ATOM 427 CG MET A 29 6.210 -10.565 -0.638 1.00 1.00 C ATOM 428 SD MET A 29 5.875 -12.341 -0.495 1.00 1.00 S ATOM 429 CE MET A 29 5.431 -12.653 -2.221 1.00 1.00 C ATOM 0 H MET A 29 8.443 -8.893 1.486 1.00 1.00 H new ATOM 0 HA MET A 29 8.362 -11.646 0.352 1.00 1.00 H new ATOM 0 HB2 MET A 29 7.658 -9.047 -1.053 1.00 1.00 H new ATOM 0 HB3 MET A 29 7.951 -10.564 -1.880 1.00 1.00 H new ATOM 0 HG2 MET A 29 5.909 -10.093 0.297 1.00 1.00 H new ATOM 0 HG3 MET A 29 5.563 -10.166 -1.419 1.00 1.00 H new ATOM 0 HE1 MET A 29 5.185 -13.707 -2.349 1.00 1.00 H new ATOM 0 HE2 MET A 29 4.568 -12.044 -2.490 1.00 1.00 H new ATOM 0 HE3 MET A 29 6.272 -12.396 -2.865 1.00 1.00 H new ATOM 439 N ASN A 30 10.579 -11.257 -0.647 1.00 1.00 N ATOM 440 CA ASN A 30 12.016 -11.178 -1.079 1.00 1.00 C ATOM 441 C ASN A 30 12.756 -10.249 -0.095 1.00 1.00 C ATOM 442 O ASN A 30 13.333 -9.246 -0.466 1.00 1.00 O ATOM 443 CB ASN A 30 12.052 -10.626 -2.528 1.00 1.00 C ATOM 444 CG ASN A 30 13.502 -10.546 -3.033 1.00 1.00 C ATOM 445 OD1 ASN A 30 14.190 -11.540 -3.150 1.00 1.00 O ATOM 446 ND2 ASN A 30 14.000 -9.379 -3.340 1.00 1.00 N ATOM 0 H ASN A 30 10.170 -12.185 -0.756 1.00 1.00 H new ATOM 0 HA ASN A 30 12.504 -12.153 -1.070 1.00 1.00 H new ATOM 0 HB2 ASN A 30 11.466 -11.270 -3.184 1.00 1.00 H new ATOM 0 HB3 ASN A 30 11.594 -9.637 -2.559 1.00 1.00 H new ATOM 0 HD21 ASN A 30 14.961 -9.307 -3.675 1.00 1.00 H new ATOM 0 HD22 ASN A 30 13.429 -8.540 -3.244 1.00 1.00 H new ATOM 453 N SER A 31 12.687 -10.665 1.140 1.00 1.00 N ATOM 454 CA SER A 31 13.306 -9.953 2.309 1.00 1.00 C ATOM 455 C SER A 31 13.172 -8.416 2.217 1.00 1.00 C ATOM 456 O SER A 31 14.058 -7.681 2.600 1.00 1.00 O ATOM 457 CB SER A 31 14.803 -10.367 2.392 1.00 1.00 C ATOM 458 OG SER A 31 15.397 -9.910 1.185 1.00 1.00 O ATOM 0 H SER A 31 12.198 -11.520 1.405 1.00 1.00 H new ATOM 0 HA SER A 31 12.772 -10.246 3.213 1.00 1.00 H new ATOM 0 HB2 SER A 31 15.286 -9.918 3.260 1.00 1.00 H new ATOM 0 HB3 SER A 31 14.905 -11.447 2.494 1.00 1.00 H new ATOM 0 HG SER A 31 16.349 -10.143 1.180 1.00 1.00 H new ATOM 464 N LYS A 32 12.037 -8.010 1.698 1.00 1.00 N ATOM 465 CA LYS A 32 11.676 -6.558 1.510 1.00 1.00 C ATOM 466 C LYS A 32 10.221 -6.428 1.977 1.00 1.00 C ATOM 467 O LYS A 32 9.394 -7.215 1.561 1.00 1.00 O ATOM 468 CB LYS A 32 11.801 -6.180 0.025 1.00 1.00 C ATOM 469 CG LYS A 32 13.289 -6.163 -0.381 1.00 1.00 C ATOM 470 CD LYS A 32 13.388 -6.084 -1.916 1.00 1.00 C ATOM 471 CE LYS A 32 14.862 -6.179 -2.338 1.00 1.00 C ATOM 472 NZ LYS A 32 14.966 -6.152 -3.823 1.00 1.00 N ATOM 0 H LYS A 32 11.311 -8.653 1.382 1.00 1.00 H new ATOM 0 HA LYS A 32 12.334 -5.896 2.072 1.00 1.00 H new ATOM 0 HB2 LYS A 32 11.254 -6.895 -0.590 1.00 1.00 H new ATOM 0 HB3 LYS A 32 11.355 -5.201 -0.150 1.00 1.00 H new ATOM 0 HG2 LYS A 32 13.794 -5.310 0.073 1.00 1.00 H new ATOM 0 HG3 LYS A 32 13.789 -7.061 -0.017 1.00 1.00 H new ATOM 0 HD2 LYS A 32 12.815 -6.893 -2.370 1.00 1.00 H new ATOM 0 HD3 LYS A 32 12.956 -5.149 -2.272 1.00 1.00 H new ATOM 0 HE2 LYS A 32 15.426 -5.350 -1.910 1.00 1.00 H new ATOM 0 HE3 LYS A 32 15.302 -7.098 -1.950 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 15.966 -6.217 -4.102 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 14.442 -6.957 -4.222 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 14.563 -5.264 -4.183 1.00 1.00 H new ATOM 486 N CYS A 33 9.916 -5.463 2.810 1.00 1.00 N ATOM 487 CA CYS A 33 8.497 -5.343 3.277 1.00 1.00 C ATOM 488 C CYS A 33 7.470 -4.838 2.243 1.00 1.00 C ATOM 489 O CYS A 33 7.809 -4.279 1.219 1.00 1.00 O ATOM 490 CB CYS A 33 8.531 -4.436 4.528 1.00 1.00 C ATOM 491 SG CYS A 33 6.978 -3.888 5.278 1.00 1.00 S ATOM 0 H CYS A 33 10.567 -4.770 3.179 1.00 1.00 H new ATOM 0 HA CYS A 33 8.132 -6.349 3.485 1.00 1.00 H new ATOM 0 HB2 CYS A 33 9.097 -4.962 5.297 1.00 1.00 H new ATOM 0 HB3 CYS A 33 9.100 -3.544 4.268 1.00 1.00 H new ATOM 496 N ARG A 34 6.223 -5.083 2.559 1.00 1.00 N ATOM 497 CA ARG A 34 5.075 -4.665 1.716 1.00 1.00 C ATOM 498 C ARG A 34 3.989 -4.227 2.703 1.00 1.00 C ATOM 499 O ARG A 34 3.947 -4.690 3.826 1.00 1.00 O ATOM 500 CB ARG A 34 4.579 -5.842 0.893 1.00 1.00 C ATOM 501 CG ARG A 34 3.470 -5.364 -0.062 1.00 1.00 C ATOM 502 CD ARG A 34 3.032 -6.476 -1.021 1.00 1.00 C ATOM 503 NE ARG A 34 4.005 -6.521 -2.150 1.00 1.00 N ATOM 504 CZ ARG A 34 4.672 -7.607 -2.418 1.00 1.00 C ATOM 505 NH1 ARG A 34 4.082 -8.578 -3.058 1.00 1.00 N ATOM 506 NH2 ARG A 34 5.915 -7.684 -2.035 1.00 1.00 N ATOM 0 H ARG A 34 5.949 -5.579 3.407 1.00 1.00 H new ATOM 0 HA ARG A 34 5.346 -3.869 1.023 1.00 1.00 H new ATOM 0 HB2 ARG A 34 5.402 -6.276 0.325 1.00 1.00 H new ATOM 0 HB3 ARG A 34 4.197 -6.624 1.549 1.00 1.00 H new ATOM 0 HG2 ARG A 34 2.612 -5.024 0.518 1.00 1.00 H new ATOM 0 HG3 ARG A 34 3.827 -4.508 -0.635 1.00 1.00 H new ATOM 0 HD2 ARG A 34 3.003 -7.435 -0.504 1.00 1.00 H new ATOM 0 HD3 ARG A 34 2.026 -6.284 -1.393 1.00 1.00 H new ATOM 0 HE ARG A 34 4.150 -5.688 -2.721 1.00 1.00 H new ATOM 0 HH11 ARG A 34 3.107 -8.483 -3.344 1.00 1.00 H new ATOM 0 HH12 ARG A 34 4.595 -9.433 -3.273 1.00 1.00 H new ATOM 0 HH21 ARG A 34 6.344 -6.904 -1.537 1.00 1.00 H new ATOM 0 HH22 ARG A 34 6.459 -8.524 -2.233 1.00 1.00 H new ATOM 520 N CYS A 35 3.144 -3.352 2.247 1.00 1.00 N ATOM 521 CA CYS A 35 2.036 -2.846 3.116 1.00 1.00 C ATOM 522 C CYS A 35 0.702 -3.061 2.401 1.00 1.00 C ATOM 523 O CYS A 35 0.656 -3.251 1.200 1.00 1.00 O ATOM 524 CB CYS A 35 2.235 -1.337 3.401 1.00 1.00 C ATOM 525 SG CYS A 35 1.219 -0.623 4.716 1.00 1.00 S ATOM 0 H CYS A 35 3.168 -2.959 1.306 1.00 1.00 H new ATOM 0 HA CYS A 35 2.040 -3.388 4.062 1.00 1.00 H new ATOM 0 HB2 CYS A 35 3.283 -1.173 3.652 1.00 1.00 H new ATOM 0 HB3 CYS A 35 2.038 -0.787 2.481 1.00 1.00 H new ATOM 530 N TYR A 36 -0.343 -3.024 3.176 1.00 1.00 N ATOM 531 CA TYR A 36 -1.716 -3.207 2.643 1.00 1.00 C ATOM 532 C TYR A 36 -2.538 -1.963 3.020 1.00 1.00 C ATOM 533 O TYR A 36 -2.010 -1.009 3.563 1.00 1.00 O ATOM 534 CB TYR A 36 -2.340 -4.453 3.276 1.00 1.00 C ATOM 535 CG TYR A 36 -1.645 -5.779 2.885 1.00 1.00 C ATOM 536 CD1 TYR A 36 -1.530 -6.166 1.562 1.00 1.00 C ATOM 537 CD2 TYR A 36 -1.147 -6.627 3.859 1.00 1.00 C ATOM 538 CE1 TYR A 36 -0.936 -7.372 1.230 1.00 1.00 C ATOM 539 CE2 TYR A 36 -0.557 -7.825 3.526 1.00 1.00 C ATOM 540 CZ TYR A 36 -0.446 -8.212 2.210 1.00 1.00 C ATOM 541 OH TYR A 36 0.112 -9.424 1.887 1.00 1.00 O ATOM 0 H TYR A 36 -0.299 -2.870 4.183 1.00 1.00 H new ATOM 0 HA TYR A 36 -1.698 -3.333 1.560 1.00 1.00 H new ATOM 0 HB2 TYR A 36 -2.313 -4.348 4.361 1.00 1.00 H new ATOM 0 HB3 TYR A 36 -3.390 -4.507 2.987 1.00 1.00 H new ATOM 0 HD1 TYR A 36 -1.907 -5.522 0.781 1.00 1.00 H new ATOM 0 HD2 TYR A 36 -1.223 -6.344 4.898 1.00 1.00 H new ATOM 0 HE1 TYR A 36 -0.855 -7.659 0.192 1.00 1.00 H new ATOM 0 HE2 TYR A 36 -0.177 -8.468 4.306 1.00 1.00 H new ATOM 0 HH TYR A 36 -0.306 -9.770 1.071 1.00 1.00 H new