USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 270 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 -71:sc= -0.205 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= -0.0293 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.369 K(o=-0.37,f=-1.9) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 20 MET CE :methyl -143:sc= -0.732 (180deg=-4.98!) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 0.689 F(o=0,f=0.69) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl -102:sc= -0.0215 (180deg=-2.1) USER MOD Single : A 30 ASN : amide:sc= -0.685 X(o=-0.69,f=-0.39) USER MOD Single : A 32 LYS NZ :NH3+ -121:sc= -1.66 (180deg=-3.81!) USER MOD Single : A 36 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 4.162 1.480 -2.271 1.00 1.00 N ATOM 16 CA PHE A 2 4.831 2.756 -2.541 1.00 1.00 C ATOM 17 C PHE A 2 3.795 3.681 -3.209 1.00 1.00 C ATOM 18 O PHE A 2 2.798 3.213 -3.724 1.00 1.00 O ATOM 19 CB PHE A 2 5.967 2.406 -3.457 1.00 1.00 C ATOM 20 CG PHE A 2 7.126 1.658 -2.763 1.00 1.00 C ATOM 21 CD1 PHE A 2 6.941 0.412 -2.184 1.00 1.00 C ATOM 22 CD2 PHE A 2 8.382 2.231 -2.723 1.00 1.00 C ATOM 23 CE1 PHE A 2 7.995 -0.234 -1.580 1.00 1.00 C ATOM 24 CE2 PHE A 2 9.434 1.576 -2.119 1.00 1.00 C ATOM 25 CZ PHE A 2 9.242 0.339 -1.548 1.00 1.00 C ATOM 0 HA PHE A 2 5.212 3.272 -1.660 1.00 1.00 H new ATOM 0 HB2 PHE A 2 5.587 1.790 -4.272 1.00 1.00 H new ATOM 0 HB3 PHE A 2 6.355 3.321 -3.904 1.00 1.00 H new ATOM 0 HD1 PHE A 2 5.967 -0.053 -2.207 1.00 1.00 H new ATOM 0 HD2 PHE A 2 8.542 3.202 -3.169 1.00 1.00 H new ATOM 0 HE1 PHE A 2 7.840 -1.202 -1.126 1.00 1.00 H new ATOM 0 HE2 PHE A 2 10.411 2.035 -2.094 1.00 1.00 H new ATOM 0 HZ PHE A 2 10.066 -0.177 -1.078 1.00 1.00 H new ATOM 35 N THR A 3 4.061 4.963 -3.176 1.00 1.00 N ATOM 36 CA THR A 3 3.120 5.957 -3.797 1.00 1.00 C ATOM 37 C THR A 3 3.882 6.938 -4.693 1.00 1.00 C ATOM 38 O THR A 3 5.097 6.923 -4.739 1.00 1.00 O ATOM 39 CB THR A 3 2.399 6.744 -2.684 1.00 1.00 C ATOM 40 OG1 THR A 3 3.450 7.441 -2.032 1.00 1.00 O ATOM 41 CG2 THR A 3 1.797 5.812 -1.606 1.00 1.00 C ATOM 0 H THR A 3 4.891 5.369 -2.745 1.00 1.00 H new ATOM 0 HA THR A 3 2.395 5.416 -4.405 1.00 1.00 H new ATOM 0 HB THR A 3 1.599 7.351 -3.108 1.00 1.00 H new ATOM 0 HG1 THR A 3 3.994 6.807 -1.519 1.00 1.00 H new ATOM 0 HG21 THR A 3 1.300 6.411 -0.843 1.00 1.00 H new ATOM 0 HG22 THR A 3 1.074 5.140 -2.068 1.00 1.00 H new ATOM 0 HG23 THR A 3 2.593 5.227 -1.145 1.00 1.00 H new ATOM 49 N ASP A 4 3.126 7.766 -5.374 1.00 1.00 N ATOM 50 CA ASP A 4 3.735 8.782 -6.283 1.00 1.00 C ATOM 51 C ASP A 4 3.192 10.167 -5.865 1.00 1.00 C ATOM 52 O ASP A 4 3.011 11.055 -6.677 1.00 1.00 O ATOM 53 CB ASP A 4 3.350 8.415 -7.730 1.00 1.00 C ATOM 54 CG ASP A 4 4.344 9.046 -8.730 1.00 1.00 C ATOM 55 OD1 ASP A 4 4.325 10.257 -8.871 1.00 1.00 O ATOM 56 OD2 ASP A 4 5.090 8.267 -9.302 1.00 1.00 O ATOM 0 H ASP A 4 2.107 7.780 -5.337 1.00 1.00 H new ATOM 0 HA ASP A 4 4.823 8.806 -6.219 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.345 7.331 -7.848 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.340 8.764 -7.943 1.00 1.00 H new ATOM 61 N VAL A 5 2.946 10.302 -4.585 1.00 1.00 N ATOM 62 CA VAL A 5 2.423 11.573 -4.006 1.00 1.00 C ATOM 63 C VAL A 5 3.543 12.173 -3.146 1.00 1.00 C ATOM 64 O VAL A 5 4.177 11.470 -2.385 1.00 1.00 O ATOM 65 CB VAL A 5 1.172 11.190 -3.194 1.00 1.00 C ATOM 66 CG1 VAL A 5 1.501 10.454 -1.872 1.00 1.00 C ATOM 67 CG2 VAL A 5 0.308 12.435 -2.912 1.00 1.00 C ATOM 0 H VAL A 5 3.091 9.560 -3.900 1.00 1.00 H new ATOM 0 HA VAL A 5 2.140 12.323 -4.745 1.00 1.00 H new ATOM 0 HB VAL A 5 0.611 10.487 -3.810 1.00 1.00 H new ATOM 0 HG11 VAL A 5 0.575 10.213 -1.349 1.00 1.00 H new ATOM 0 HG12 VAL A 5 2.043 9.534 -2.093 1.00 1.00 H new ATOM 0 HG13 VAL A 5 2.117 11.096 -1.242 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -0.572 12.145 -2.337 1.00 1.00 H new ATOM 0 HG22 VAL A 5 0.890 13.161 -2.344 1.00 1.00 H new ATOM 0 HG23 VAL A 5 -0.006 12.881 -3.856 1.00 1.00 H new ATOM 77 N LYS A 6 3.757 13.457 -3.289 1.00 1.00 N ATOM 78 CA LYS A 6 4.832 14.136 -2.499 1.00 1.00 C ATOM 79 C LYS A 6 4.505 14.261 -1.002 1.00 1.00 C ATOM 80 O LYS A 6 3.375 14.527 -0.641 1.00 1.00 O ATOM 81 CB LYS A 6 5.068 15.534 -3.090 1.00 1.00 C ATOM 82 CG LYS A 6 5.554 15.397 -4.557 1.00 1.00 C ATOM 83 CD LYS A 6 5.791 16.787 -5.195 1.00 1.00 C ATOM 84 CE LYS A 6 6.956 17.524 -4.502 1.00 1.00 C ATOM 85 NZ LYS A 6 7.194 18.833 -5.174 1.00 1.00 N ATOM 0 H LYS A 6 3.234 14.065 -3.919 1.00 1.00 H new ATOM 0 HA LYS A 6 5.726 13.517 -2.569 1.00 1.00 H new ATOM 0 HB2 LYS A 6 4.148 16.117 -3.053 1.00 1.00 H new ATOM 0 HB3 LYS A 6 5.809 16.071 -2.498 1.00 1.00 H new ATOM 0 HG2 LYS A 6 6.477 14.818 -4.585 1.00 1.00 H new ATOM 0 HG3 LYS A 6 4.814 14.847 -5.139 1.00 1.00 H new ATOM 0 HD2 LYS A 6 6.010 16.671 -6.256 1.00 1.00 H new ATOM 0 HD3 LYS A 6 4.883 17.385 -5.120 1.00 1.00 H new ATOM 0 HE2 LYS A 6 6.724 17.682 -3.449 1.00 1.00 H new ATOM 0 HE3 LYS A 6 7.859 16.915 -4.541 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 7.980 19.327 -4.704 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 7.434 18.672 -6.173 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 6.334 19.415 -5.114 1.00 1.00 H new ATOM 99 N CYS A 7 5.514 14.064 -0.183 1.00 1.00 N ATOM 100 CA CYS A 7 5.344 14.162 1.294 1.00 1.00 C ATOM 101 C CYS A 7 6.485 14.933 1.948 1.00 1.00 C ATOM 102 O CYS A 7 7.487 15.248 1.334 1.00 1.00 O ATOM 103 CB CYS A 7 5.282 12.754 1.933 1.00 1.00 C ATOM 104 SG CYS A 7 6.449 11.489 1.376 1.00 1.00 S ATOM 0 H CYS A 7 6.461 13.836 -0.486 1.00 1.00 H new ATOM 0 HA CYS A 7 4.409 14.696 1.464 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.414 12.874 3.008 1.00 1.00 H new ATOM 0 HB3 CYS A 7 4.276 12.365 1.777 1.00 1.00 H new ATOM 109 N THR A 8 6.250 15.198 3.204 1.00 1.00 N ATOM 110 CA THR A 8 7.165 15.923 4.085 1.00 1.00 C ATOM 111 C THR A 8 7.337 15.117 5.378 1.00 1.00 C ATOM 112 O THR A 8 8.437 14.979 5.876 1.00 1.00 O ATOM 113 CB THR A 8 6.577 17.324 4.379 1.00 1.00 C ATOM 114 OG1 THR A 8 6.449 17.951 3.108 1.00 1.00 O ATOM 115 CG2 THR A 8 7.586 18.211 5.133 1.00 1.00 C ATOM 0 H THR A 8 5.390 14.911 3.672 1.00 1.00 H new ATOM 0 HA THR A 8 8.140 16.050 3.615 1.00 1.00 H new ATOM 0 HB THR A 8 5.659 17.216 4.956 1.00 1.00 H new ATOM 0 HG1 THR A 8 6.077 18.850 3.223 1.00 1.00 H new ATOM 0 HG21 THR A 8 7.141 19.188 5.323 1.00 1.00 H new ATOM 0 HG22 THR A 8 7.847 17.740 6.081 1.00 1.00 H new ATOM 0 HG23 THR A 8 8.485 18.334 4.529 1.00 1.00 H new ATOM 123 N GLY A 9 6.230 14.613 5.872 1.00 1.00 N ATOM 124 CA GLY A 9 6.236 13.806 7.133 1.00 1.00 C ATOM 125 C GLY A 9 5.425 12.514 7.003 1.00 1.00 C ATOM 126 O GLY A 9 4.742 12.292 6.019 1.00 1.00 O ATOM 0 H GLY A 9 5.310 14.729 5.448 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.264 13.561 7.399 1.00 1.00 H new ATOM 0 HA3 GLY A 9 5.830 14.406 7.947 1.00 1.00 H new ATOM 130 N SER A 10 5.535 11.701 8.021 1.00 1.00 N ATOM 131 CA SER A 10 4.833 10.413 8.090 1.00 1.00 C ATOM 132 C SER A 10 3.315 10.570 8.274 1.00 1.00 C ATOM 133 O SER A 10 2.554 10.081 7.468 1.00 1.00 O ATOM 134 CB SER A 10 5.439 9.593 9.253 1.00 1.00 C ATOM 135 OG SER A 10 5.316 10.418 10.404 1.00 1.00 O ATOM 0 H SER A 10 6.113 11.900 8.838 1.00 1.00 H new ATOM 0 HA SER A 10 4.969 9.896 7.140 1.00 1.00 H new ATOM 0 HB2 SER A 10 4.908 8.651 9.387 1.00 1.00 H new ATOM 0 HB3 SER A 10 6.482 9.346 9.057 1.00 1.00 H new ATOM 0 HG SER A 10 5.684 9.950 11.183 1.00 1.00 H new ATOM 141 N LYS A 11 2.937 11.244 9.331 1.00 1.00 N ATOM 142 CA LYS A 11 1.514 11.518 9.705 1.00 1.00 C ATOM 143 C LYS A 11 0.585 11.859 8.528 1.00 1.00 C ATOM 144 O LYS A 11 -0.576 11.541 8.560 1.00 1.00 O ATOM 145 CB LYS A 11 1.533 12.663 10.721 1.00 1.00 C ATOM 146 CG LYS A 11 2.299 12.226 12.000 1.00 1.00 C ATOM 147 CD LYS A 11 2.293 13.346 13.069 1.00 1.00 C ATOM 148 CE LYS A 11 3.065 14.589 12.576 1.00 1.00 C ATOM 149 NZ LYS A 11 3.121 15.609 13.661 1.00 1.00 N ATOM 0 H LYS A 11 3.605 11.641 9.992 1.00 1.00 H new ATOM 0 HA LYS A 11 1.095 10.599 10.116 1.00 1.00 H new ATOM 0 HB2 LYS A 11 2.010 13.540 10.284 1.00 1.00 H new ATOM 0 HB3 LYS A 11 0.513 12.949 10.978 1.00 1.00 H new ATOM 0 HG2 LYS A 11 1.842 11.326 12.411 1.00 1.00 H new ATOM 0 HG3 LYS A 11 3.327 11.972 11.742 1.00 1.00 H new ATOM 0 HD2 LYS A 11 1.265 13.622 13.305 1.00 1.00 H new ATOM 0 HD3 LYS A 11 2.743 12.976 13.990 1.00 1.00 H new ATOM 0 HE2 LYS A 11 4.074 14.307 12.277 1.00 1.00 H new ATOM 0 HE3 LYS A 11 2.576 15.007 11.696 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 3.642 16.445 13.325 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 2.155 15.887 13.927 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 3.606 15.209 14.489 1.00 1.00 H new ATOM 163 N GLN A 12 1.132 12.505 7.535 1.00 1.00 N ATOM 164 CA GLN A 12 0.336 12.901 6.323 1.00 1.00 C ATOM 165 C GLN A 12 -0.027 11.664 5.469 1.00 1.00 C ATOM 166 O GLN A 12 -1.098 11.558 4.904 1.00 1.00 O ATOM 167 CB GLN A 12 1.169 13.875 5.507 1.00 1.00 C ATOM 168 CG GLN A 12 0.333 15.023 4.877 1.00 1.00 C ATOM 169 CD GLN A 12 -0.750 14.490 3.936 1.00 1.00 C ATOM 170 OE1 GLN A 12 -1.796 14.042 4.360 1.00 1.00 O ATOM 171 NE2 GLN A 12 -0.541 14.520 2.648 1.00 1.00 N ATOM 0 H GLN A 12 2.113 12.783 7.506 1.00 1.00 H new ATOM 0 HA GLN A 12 -0.597 13.369 6.636 1.00 1.00 H new ATOM 0 HB2 GLN A 12 1.941 14.305 6.145 1.00 1.00 H new ATOM 0 HB3 GLN A 12 1.679 13.329 4.713 1.00 1.00 H new ATOM 0 HG2 GLN A 12 -0.131 15.611 5.669 1.00 1.00 H new ATOM 0 HG3 GLN A 12 0.993 15.694 4.327 1.00 1.00 H new ATOM 0 HE21 GLN A 12 0.334 14.894 2.282 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -1.253 14.169 2.007 1.00 1.00 H new ATOM 180 N CYS A 13 0.897 10.752 5.423 1.00 1.00 N ATOM 181 CA CYS A 13 0.743 9.486 4.648 1.00 1.00 C ATOM 182 C CYS A 13 -0.224 8.520 5.335 1.00 1.00 C ATOM 183 O CYS A 13 -0.612 7.528 4.746 1.00 1.00 O ATOM 184 CB CYS A 13 2.161 8.900 4.507 1.00 1.00 C ATOM 185 SG CYS A 13 2.435 7.309 3.691 1.00 1.00 S ATOM 0 H CYS A 13 1.790 10.833 5.909 1.00 1.00 H new ATOM 0 HA CYS A 13 0.305 9.669 3.667 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.760 9.639 3.975 1.00 1.00 H new ATOM 0 HB3 CYS A 13 2.574 8.818 5.512 1.00 1.00 H new ATOM 190 N TRP A 14 -0.600 8.830 6.555 1.00 1.00 N ATOM 191 CA TRP A 14 -1.546 7.972 7.310 1.00 1.00 C ATOM 192 C TRP A 14 -2.962 8.065 6.688 1.00 1.00 C ATOM 193 O TRP A 14 -3.468 7.052 6.245 1.00 1.00 O ATOM 194 CB TRP A 14 -1.541 8.452 8.765 1.00 1.00 C ATOM 195 CG TRP A 14 -0.339 7.911 9.534 1.00 1.00 C ATOM 196 CD1 TRP A 14 0.920 7.985 9.089 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.351 7.296 10.732 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.618 7.407 10.046 1.00 1.00 N ATOM 199 CE2 TRP A 14 0.940 6.954 11.087 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.406 6.988 11.583 1.00 1.00 C ATOM 201 CZ2 TRP A 14 1.187 6.303 12.293 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -1.163 6.337 12.790 1.00 1.00 C ATOM 203 CH2 TRP A 14 0.129 5.993 13.144 1.00 1.00 C ATOM 0 H TRP A 14 -0.281 9.657 7.060 1.00 1.00 H new ATOM 0 HA TRP A 14 -1.246 6.925 7.267 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -1.528 9.542 8.789 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -2.460 8.134 9.256 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.279 8.416 8.166 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.632 7.314 9.987 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.416 7.254 11.308 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 2.197 6.039 12.568 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -1.984 6.101 13.450 1.00 1.00 H new ATOM 0 HH2 TRP A 14 0.317 5.485 14.078 1.00 1.00 H new ATOM 214 N PRO A 15 -3.570 9.239 6.657 1.00 1.00 N ATOM 215 CA PRO A 15 -4.903 9.440 6.024 1.00 1.00 C ATOM 216 C PRO A 15 -4.814 9.144 4.528 1.00 1.00 C ATOM 217 O PRO A 15 -5.711 8.545 3.976 1.00 1.00 O ATOM 218 CB PRO A 15 -5.266 10.895 6.339 1.00 1.00 C ATOM 219 CG PRO A 15 -3.884 11.568 6.416 1.00 1.00 C ATOM 220 CD PRO A 15 -3.065 10.533 7.202 1.00 1.00 C ATOM 0 HA PRO A 15 -5.676 8.770 6.400 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -5.890 11.336 5.562 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.814 10.984 7.277 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.465 11.753 5.427 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.927 12.529 6.929 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.994 10.653 7.037 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -3.233 10.614 8.276 1.00 1.00 H new ATOM 228 N VAL A 16 -3.737 9.571 3.916 1.00 1.00 N ATOM 229 CA VAL A 16 -3.552 9.334 2.454 1.00 1.00 C ATOM 230 C VAL A 16 -3.580 7.824 2.148 1.00 1.00 C ATOM 231 O VAL A 16 -4.299 7.387 1.266 1.00 1.00 O ATOM 232 CB VAL A 16 -2.228 9.987 2.064 1.00 1.00 C ATOM 233 CG1 VAL A 16 -1.785 9.602 0.639 1.00 1.00 C ATOM 234 CG2 VAL A 16 -2.379 11.527 2.124 1.00 1.00 C ATOM 0 H VAL A 16 -2.976 10.076 4.370 1.00 1.00 H new ATOM 0 HA VAL A 16 -4.360 9.773 1.868 1.00 1.00 H new ATOM 0 HB VAL A 16 -1.473 9.634 2.767 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -0.839 10.091 0.408 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -1.660 8.521 0.576 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -2.543 9.921 -0.076 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -1.435 11.996 1.846 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -3.159 11.843 1.432 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -2.649 11.827 3.137 1.00 1.00 H new ATOM 244 N CYS A 17 -2.804 7.073 2.894 1.00 1.00 N ATOM 245 CA CYS A 17 -2.779 5.594 2.655 1.00 1.00 C ATOM 246 C CYS A 17 -4.121 4.991 3.076 1.00 1.00 C ATOM 247 O CYS A 17 -4.587 4.047 2.471 1.00 1.00 O ATOM 248 CB CYS A 17 -1.681 4.899 3.472 1.00 1.00 C ATOM 249 SG CYS A 17 -1.548 3.138 3.073 1.00 1.00 S ATOM 0 H CYS A 17 -2.199 7.410 3.643 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.583 5.440 1.594 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.725 5.387 3.282 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.892 5.015 4.535 1.00 1.00 H new ATOM 254 N LYS A 18 -4.701 5.550 4.110 1.00 1.00 N ATOM 255 CA LYS A 18 -6.019 5.048 4.611 1.00 1.00 C ATOM 256 C LYS A 18 -7.070 5.230 3.492 1.00 1.00 C ATOM 257 O LYS A 18 -7.930 4.399 3.282 1.00 1.00 O ATOM 258 CB LYS A 18 -6.412 5.859 5.860 1.00 1.00 C ATOM 259 CG LYS A 18 -7.658 5.281 6.508 1.00 1.00 C ATOM 260 CD LYS A 18 -8.033 6.065 7.790 1.00 1.00 C ATOM 261 CE LYS A 18 -8.475 7.504 7.449 1.00 1.00 C ATOM 262 NZ LYS A 18 -8.858 8.223 8.699 1.00 1.00 N ATOM 0 H LYS A 18 -4.316 6.337 4.632 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.960 3.993 4.878 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.590 5.855 6.575 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.589 6.898 5.583 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.488 5.314 5.802 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.491 4.233 6.755 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -8.837 5.548 8.314 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.178 6.094 8.466 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.665 8.034 6.947 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.318 7.482 6.758 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.155 9.192 8.465 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.644 7.722 9.161 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.043 8.257 9.344 1.00 1.00 H new ATOM 276 N GLN A 19 -6.950 6.337 2.806 1.00 1.00 N ATOM 277 CA GLN A 19 -7.878 6.677 1.690 1.00 1.00 C ATOM 278 C GLN A 19 -7.642 5.767 0.483 1.00 1.00 C ATOM 279 O GLN A 19 -8.576 5.165 -0.006 1.00 1.00 O ATOM 280 CB GLN A 19 -7.656 8.152 1.297 1.00 1.00 C ATOM 281 CG GLN A 19 -8.228 9.074 2.394 1.00 1.00 C ATOM 282 CD GLN A 19 -7.741 10.509 2.150 1.00 1.00 C ATOM 283 OE1 GLN A 19 -6.975 11.076 3.044 1.00 1.00 O flip ATOM 284 NE2 GLN A 19 -8.046 11.126 1.148 1.00 1.00 N flip ATOM 0 H GLN A 19 -6.228 7.036 2.979 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.906 6.528 2.020 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -6.592 8.347 1.163 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -8.141 8.361 0.343 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -9.317 9.040 2.383 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -7.908 8.731 3.378 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -8.643 10.692 0.444 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -7.704 12.077 1.011 1.00 1.00 H new ATOM 293 N MET A 20 -6.410 5.681 0.042 1.00 1.00 N ATOM 294 CA MET A 20 -6.068 4.841 -1.101 1.00 1.00 C ATOM 295 C MET A 20 -6.364 3.351 -0.880 1.00 1.00 C ATOM 296 O MET A 20 -7.021 2.725 -1.688 1.00 1.00 O ATOM 297 CB MET A 20 -4.587 5.057 -1.397 1.00 1.00 C ATOM 298 CG MET A 20 -4.321 6.469 -1.944 1.00 1.00 C ATOM 299 SD MET A 20 -2.678 6.766 -2.647 1.00 1.00 S ATOM 300 CE MET A 20 -1.682 6.521 -1.155 1.00 1.00 C ATOM 0 H MET A 20 -5.620 6.180 0.452 1.00 1.00 H new ATOM 0 HA MET A 20 -6.693 5.133 -1.945 1.00 1.00 H new ATOM 0 HB2 MET A 20 -4.007 4.903 -0.487 1.00 1.00 H new ATOM 0 HB3 MET A 20 -4.248 4.316 -2.120 1.00 1.00 H new ATOM 0 HG2 MET A 20 -5.065 6.683 -2.712 1.00 1.00 H new ATOM 0 HG3 MET A 20 -4.481 7.184 -1.137 1.00 1.00 H new ATOM 0 HE1 MET A 20 -0.852 7.227 -1.152 1.00 1.00 H new ATOM 0 HE2 MET A 20 -2.301 6.685 -0.273 1.00 1.00 H new ATOM 0 HE3 MET A 20 -1.292 5.503 -1.141 1.00 1.00 H new ATOM 310 N PHE A 21 -5.862 2.842 0.206 1.00 1.00 N ATOM 311 CA PHE A 21 -6.041 1.418 0.580 1.00 1.00 C ATOM 312 C PHE A 21 -6.939 1.204 1.813 1.00 1.00 C ATOM 313 O PHE A 21 -7.984 0.588 1.715 1.00 1.00 O ATOM 314 CB PHE A 21 -4.655 0.848 0.843 1.00 1.00 C ATOM 315 CG PHE A 21 -3.762 0.969 -0.395 1.00 1.00 C ATOM 316 CD1 PHE A 21 -3.082 2.146 -0.652 1.00 1.00 C ATOM 317 CD2 PHE A 21 -3.635 -0.078 -1.277 1.00 1.00 C ATOM 318 CE1 PHE A 21 -2.289 2.266 -1.771 1.00 1.00 C ATOM 319 CE2 PHE A 21 -2.843 0.034 -2.399 1.00 1.00 C ATOM 320 CZ PHE A 21 -2.170 1.210 -2.647 1.00 1.00 C ATOM 0 H PHE A 21 -5.312 3.380 0.876 1.00 1.00 H new ATOM 0 HA PHE A 21 -6.551 0.911 -0.239 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -4.195 1.375 1.679 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -4.739 -0.199 1.133 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -3.174 2.978 0.031 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -4.163 -1.001 -1.088 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -1.760 3.188 -1.962 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -2.750 -0.798 -3.082 1.00 1.00 H new ATOM 0 HZ PHE A 21 -1.550 1.304 -3.527 1.00 1.00 H new ATOM 330 N GLY A 22 -6.495 1.723 2.927 1.00 1.00 N ATOM 331 CA GLY A 22 -7.227 1.606 4.224 1.00 1.00 C ATOM 332 C GLY A 22 -6.284 0.911 5.206 1.00 1.00 C ATOM 333 O GLY A 22 -6.674 0.028 5.944 1.00 1.00 O ATOM 0 H GLY A 22 -5.620 2.244 2.993 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.514 2.590 4.595 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -8.145 1.032 4.099 1.00 1.00 H new ATOM 337 N LYS A 23 -5.055 1.362 5.158 1.00 1.00 N ATOM 338 CA LYS A 23 -3.966 0.826 6.028 1.00 1.00 C ATOM 339 C LYS A 23 -3.302 2.024 6.734 1.00 1.00 C ATOM 340 O LYS A 23 -2.274 2.508 6.300 1.00 1.00 O ATOM 341 CB LYS A 23 -2.970 0.069 5.133 1.00 1.00 C ATOM 342 CG LYS A 23 -3.714 -1.084 4.414 1.00 1.00 C ATOM 343 CD LYS A 23 -2.738 -2.012 3.657 1.00 1.00 C ATOM 344 CE LYS A 23 -1.973 -1.258 2.554 1.00 1.00 C ATOM 345 NZ LYS A 23 -1.019 -2.192 1.890 1.00 1.00 N ATOM 0 H LYS A 23 -4.754 2.106 4.529 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.340 0.136 6.784 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.530 0.747 4.402 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.151 -0.328 5.733 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -4.276 -1.666 5.145 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.438 -0.668 3.713 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -2.028 -2.445 4.361 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -3.292 -2.840 3.214 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -2.672 -0.853 1.822 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -1.434 -0.413 2.982 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -0.500 -1.686 1.144 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -0.345 -2.558 2.593 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.545 -2.984 1.469 1.00 1.00 H new ATOM 359 N PRO A 24 -3.918 2.470 7.805 1.00 1.00 N ATOM 360 CA PRO A 24 -3.864 3.888 8.259 1.00 1.00 C ATOM 361 C PRO A 24 -2.497 4.401 8.716 1.00 1.00 C ATOM 362 O PRO A 24 -2.388 5.548 9.101 1.00 1.00 O ATOM 363 CB PRO A 24 -4.919 3.949 9.363 1.00 1.00 C ATOM 364 CG PRO A 24 -4.796 2.538 9.983 1.00 1.00 C ATOM 365 CD PRO A 24 -4.740 1.640 8.732 1.00 1.00 C ATOM 0 HA PRO A 24 -4.059 4.560 7.423 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -4.709 4.736 10.088 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -5.917 4.138 8.967 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -3.900 2.439 10.596 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -5.647 2.297 10.620 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -4.276 0.676 8.940 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -5.732 1.436 8.329 1.00 1.00 H new ATOM 373 N ASN A 25 -1.499 3.558 8.666 1.00 1.00 N ATOM 374 CA ASN A 25 -0.144 3.944 9.078 1.00 1.00 C ATOM 375 C ASN A 25 0.614 4.138 7.780 1.00 1.00 C ATOM 376 O ASN A 25 0.604 3.288 6.910 1.00 1.00 O ATOM 377 CB ASN A 25 0.435 2.823 9.867 1.00 1.00 C ATOM 378 CG ASN A 25 -0.508 2.382 10.985 1.00 1.00 C ATOM 379 OD1 ASN A 25 -1.016 1.180 10.937 1.00 1.00 O flip ATOM 380 ND2 ASN A 25 -0.798 3.122 11.903 1.00 1.00 N flip ATOM 0 H ASN A 25 -1.584 2.593 8.345 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.110 4.844 9.693 1.00 1.00 H new ATOM 0 HB2 ASN A 25 0.639 1.980 9.208 1.00 1.00 H new ATOM 0 HB3 ASN A 25 1.389 3.132 10.294 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -0.404 4.062 11.945 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -1.436 2.804 12.633 1.00 1.00 H new ATOM 387 N GLY A 26 1.249 5.272 7.703 1.00 1.00 N ATOM 388 CA GLY A 26 2.046 5.609 6.500 1.00 1.00 C ATOM 389 C GLY A 26 3.260 6.447 6.873 1.00 1.00 C ATOM 390 O GLY A 26 3.214 7.248 7.785 1.00 1.00 O ATOM 0 H GLY A 26 1.248 5.986 8.432 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.369 4.694 6.004 1.00 1.00 H new ATOM 0 HA3 GLY A 26 1.426 6.155 5.789 1.00 1.00 H new ATOM 394 N LYS A 27 4.328 6.242 6.159 1.00 1.00 N ATOM 395 CA LYS A 27 5.569 7.028 6.446 1.00 1.00 C ATOM 396 C LYS A 27 6.068 7.566 5.115 1.00 1.00 C ATOM 397 O LYS A 27 5.563 7.168 4.087 1.00 1.00 O ATOM 398 CB LYS A 27 6.608 6.104 7.128 1.00 1.00 C ATOM 399 CG LYS A 27 6.004 5.682 8.504 1.00 1.00 C ATOM 400 CD LYS A 27 7.054 5.062 9.447 1.00 1.00 C ATOM 401 CE LYS A 27 8.036 6.138 9.950 1.00 1.00 C ATOM 402 NZ LYS A 27 9.033 5.523 10.874 1.00 1.00 N ATOM 0 H LYS A 27 4.401 5.571 5.394 1.00 1.00 H new ATOM 0 HA LYS A 27 5.385 7.860 7.126 1.00 1.00 H new ATOM 0 HB2 LYS A 27 6.811 5.229 6.511 1.00 1.00 H new ATOM 0 HB3 LYS A 27 7.556 6.624 7.265 1.00 1.00 H new ATOM 0 HG2 LYS A 27 5.559 6.554 8.984 1.00 1.00 H new ATOM 0 HG3 LYS A 27 5.200 4.964 8.339 1.00 1.00 H new ATOM 0 HD2 LYS A 27 6.556 4.592 10.295 1.00 1.00 H new ATOM 0 HD3 LYS A 27 7.602 4.278 8.924 1.00 1.00 H new ATOM 0 HE2 LYS A 27 8.547 6.600 9.105 1.00 1.00 H new ATOM 0 HE3 LYS A 27 7.490 6.929 10.464 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 9.692 6.254 11.210 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 8.539 5.102 11.687 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 9.563 4.784 10.370 1.00 1.00 H new ATOM 416 N CYS A 28 7.038 8.443 5.134 1.00 1.00 N ATOM 417 CA CYS A 28 7.556 8.999 3.862 1.00 1.00 C ATOM 418 C CYS A 28 8.939 8.423 3.543 1.00 1.00 C ATOM 419 O CYS A 28 9.701 8.077 4.427 1.00 1.00 O ATOM 420 CB CYS A 28 7.592 10.537 4.014 1.00 1.00 C ATOM 421 SG CYS A 28 8.059 11.560 2.596 1.00 1.00 S ATOM 0 H CYS A 28 7.490 8.794 5.978 1.00 1.00 H new ATOM 0 HA CYS A 28 6.912 8.727 3.026 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.601 10.857 4.336 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.281 10.769 4.826 1.00 1.00 H new ATOM 426 N MET A 29 9.200 8.349 2.265 1.00 1.00 N ATOM 427 CA MET A 29 10.471 7.824 1.712 1.00 1.00 C ATOM 428 C MET A 29 11.023 8.840 0.711 1.00 1.00 C ATOM 429 O MET A 29 10.558 8.940 -0.400 1.00 1.00 O ATOM 430 CB MET A 29 10.229 6.440 1.032 1.00 1.00 C ATOM 431 CG MET A 29 8.943 6.444 0.228 1.00 1.00 C ATOM 432 SD MET A 29 8.597 5.024 -0.831 1.00 1.00 S ATOM 433 CE MET A 29 9.367 5.631 -2.354 1.00 1.00 C ATOM 0 H MET A 29 8.541 8.651 1.548 1.00 1.00 H new ATOM 0 HA MET A 29 11.197 7.677 2.511 1.00 1.00 H new ATOM 0 HB2 MET A 29 11.069 6.200 0.380 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.184 5.661 1.793 1.00 1.00 H new ATOM 0 HG2 MET A 29 8.113 6.548 0.927 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.945 7.335 -0.400 1.00 1.00 H new ATOM 0 HE1 MET A 29 8.595 5.990 -3.034 1.00 1.00 H new ATOM 0 HE2 MET A 29 10.049 6.447 -2.117 1.00 1.00 H new ATOM 0 HE3 MET A 29 9.921 4.822 -2.829 1.00 1.00 H new ATOM 443 N ASN A 30 12.012 9.557 1.182 1.00 1.00 N ATOM 444 CA ASN A 30 12.716 10.620 0.399 1.00 1.00 C ATOM 445 C ASN A 30 11.822 11.350 -0.619 1.00 1.00 C ATOM 446 O ASN A 30 12.203 11.584 -1.750 1.00 1.00 O ATOM 447 CB ASN A 30 13.934 9.943 -0.285 1.00 1.00 C ATOM 448 CG ASN A 30 13.493 8.768 -1.176 1.00 1.00 C ATOM 449 OD1 ASN A 30 12.817 8.934 -2.172 1.00 1.00 O ATOM 450 ND2 ASN A 30 13.859 7.560 -0.848 1.00 1.00 N ATOM 0 H ASN A 30 12.378 9.441 2.127 1.00 1.00 H new ATOM 0 HA ASN A 30 13.030 11.411 1.080 1.00 1.00 H new ATOM 0 HB2 ASN A 30 14.470 10.677 -0.886 1.00 1.00 H new ATOM 0 HB3 ASN A 30 14.628 9.585 0.475 1.00 1.00 H new ATOM 0 HD21 ASN A 30 13.578 6.767 -1.425 1.00 1.00 H new ATOM 0 HD22 ASN A 30 14.427 7.408 -0.014 1.00 1.00 H new ATOM 457 N GLY A 31 10.642 11.684 -0.153 1.00 1.00 N ATOM 458 CA GLY A 31 9.650 12.405 -1.006 1.00 1.00 C ATOM 459 C GLY A 31 8.302 11.745 -1.274 1.00 1.00 C ATOM 460 O GLY A 31 7.358 12.475 -1.483 1.00 1.00 O ATOM 0 H GLY A 31 10.322 11.484 0.795 1.00 1.00 H new ATOM 0 HA2 GLY A 31 9.458 13.374 -0.544 1.00 1.00 H new ATOM 0 HA3 GLY A 31 10.121 12.599 -1.970 1.00 1.00 H new ATOM 464 N LYS A 32 8.182 10.440 -1.282 1.00 1.00 N ATOM 465 CA LYS A 32 6.868 9.823 -1.548 1.00 1.00 C ATOM 466 C LYS A 32 6.356 9.066 -0.338 1.00 1.00 C ATOM 467 O LYS A 32 7.114 8.656 0.500 1.00 1.00 O ATOM 468 CB LYS A 32 7.034 8.881 -2.677 1.00 1.00 C ATOM 469 CG LYS A 32 7.504 9.548 -3.984 1.00 1.00 C ATOM 470 CD LYS A 32 6.457 10.574 -4.478 1.00 1.00 C ATOM 471 CE LYS A 32 6.849 11.120 -5.866 1.00 1.00 C ATOM 472 NZ LYS A 32 6.879 10.021 -6.874 1.00 1.00 N ATOM 0 H LYS A 32 8.945 9.784 -1.114 1.00 1.00 H new ATOM 0 HA LYS A 32 6.145 10.604 -1.782 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.754 8.113 -2.394 1.00 1.00 H new ATOM 0 HB3 LYS A 32 6.085 8.377 -2.859 1.00 1.00 H new ATOM 0 HG2 LYS A 32 8.460 10.045 -3.821 1.00 1.00 H new ATOM 0 HG3 LYS A 32 7.666 8.788 -4.749 1.00 1.00 H new ATOM 0 HD2 LYS A 32 5.475 10.104 -4.530 1.00 1.00 H new ATOM 0 HD3 LYS A 32 6.380 11.396 -3.766 1.00 1.00 H new ATOM 0 HE2 LYS A 32 6.137 11.885 -6.176 1.00 1.00 H new ATOM 0 HE3 LYS A 32 7.827 11.598 -5.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 7.830 9.958 -7.291 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 6.644 9.120 -6.412 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 6.185 10.218 -7.623 1.00 1.00 H new ATOM 486 N CYS A 33 5.071 8.900 -0.286 1.00 1.00 N ATOM 487 CA CYS A 33 4.476 8.165 0.861 1.00 1.00 C ATOM 488 C CYS A 33 4.786 6.664 0.773 1.00 1.00 C ATOM 489 O CYS A 33 5.121 6.135 -0.263 1.00 1.00 O ATOM 490 CB CYS A 33 2.955 8.461 0.866 1.00 1.00 C ATOM 491 SG CYS A 33 1.765 7.458 1.793 1.00 1.00 S ATOM 0 H CYS A 33 4.407 9.238 -0.983 1.00 1.00 H new ATOM 0 HA CYS A 33 4.909 8.499 1.804 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.839 9.486 1.219 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.632 8.444 -0.175 1.00 1.00 H new ATOM 496 N ARG A 34 4.659 6.047 1.907 1.00 1.00 N ATOM 497 CA ARG A 34 4.908 4.585 2.080 1.00 1.00 C ATOM 498 C ARG A 34 3.762 4.064 2.946 1.00 1.00 C ATOM 499 O ARG A 34 3.366 4.733 3.879 1.00 1.00 O ATOM 500 CB ARG A 34 6.237 4.388 2.801 1.00 1.00 C ATOM 501 CG ARG A 34 6.690 2.911 2.798 1.00 1.00 C ATOM 502 CD ARG A 34 7.313 2.565 1.438 1.00 1.00 C ATOM 503 NE ARG A 34 7.868 1.179 1.536 1.00 1.00 N ATOM 504 CZ ARG A 34 9.160 0.965 1.561 1.00 1.00 C ATOM 505 NH1 ARG A 34 9.974 1.743 0.898 1.00 1.00 N ATOM 506 NH2 ARG A 34 9.604 -0.029 2.265 1.00 1.00 N ATOM 0 H ARG A 34 4.378 6.517 2.767 1.00 1.00 H new ATOM 0 HA ARG A 34 4.955 4.059 1.126 1.00 1.00 H new ATOM 0 HB2 ARG A 34 7.001 5.002 2.324 1.00 1.00 H new ATOM 0 HB3 ARG A 34 6.145 4.736 3.830 1.00 1.00 H new ATOM 0 HG2 ARG A 34 7.414 2.741 3.595 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.839 2.259 2.996 1.00 1.00 H new ATOM 0 HD2 ARG A 34 6.565 2.623 0.648 1.00 1.00 H new ATOM 0 HD3 ARG A 34 8.100 3.276 1.185 1.00 1.00 H new ATOM 0 HE ARG A 34 7.228 0.386 1.584 1.00 1.00 H new ATOM 0 HH11 ARG A 34 9.605 2.524 0.356 1.00 1.00 H new ATOM 0 HH12 ARG A 34 10.979 1.569 0.923 1.00 1.00 H new ATOM 0 HH21 ARG A 34 8.952 -0.620 2.781 1.00 1.00 H new ATOM 0 HH22 ARG A 34 10.605 -0.220 2.303 1.00 1.00 H new ATOM 520 N CYS A 35 3.271 2.896 2.632 1.00 1.00 N ATOM 521 CA CYS A 35 2.160 2.303 3.411 1.00 1.00 C ATOM 522 C CYS A 35 2.589 1.101 4.256 1.00 1.00 C ATOM 523 O CYS A 35 3.639 0.517 4.073 1.00 1.00 O ATOM 524 CB CYS A 35 1.055 1.839 2.475 1.00 1.00 C ATOM 525 SG CYS A 35 -0.067 3.022 1.705 1.00 1.00 S ATOM 0 H CYS A 35 3.602 2.323 1.856 1.00 1.00 H new ATOM 0 HA CYS A 35 1.814 3.089 4.082 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.532 1.281 1.670 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.440 1.132 3.032 1.00 1.00 H new ATOM 530 N TYR A 36 1.704 0.807 5.171 1.00 1.00 N ATOM 531 CA TYR A 36 1.843 -0.302 6.144 1.00 1.00 C ATOM 532 C TYR A 36 0.577 -1.150 6.087 1.00 1.00 C ATOM 533 O TYR A 36 -0.143 -1.106 5.116 1.00 1.00 O ATOM 534 CB TYR A 36 2.059 0.324 7.516 1.00 1.00 C ATOM 535 CG TYR A 36 3.438 0.997 7.522 1.00 1.00 C ATOM 536 CD1 TYR A 36 3.649 2.183 6.850 1.00 1.00 C ATOM 537 CD2 TYR A 36 4.489 0.396 8.183 1.00 1.00 C ATOM 538 CE1 TYR A 36 4.890 2.762 6.828 1.00 1.00 C ATOM 539 CE2 TYR A 36 5.735 0.975 8.161 1.00 1.00 C ATOM 540 CZ TYR A 36 5.935 2.158 7.484 1.00 1.00 C ATOM 541 OH TYR A 36 7.190 2.728 7.446 1.00 1.00 O ATOM 0 H TYR A 36 0.836 1.331 5.283 1.00 1.00 H new ATOM 0 HA TYR A 36 2.688 -0.953 5.921 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.278 1.054 7.728 1.00 1.00 H new ATOM 0 HB3 TYR A 36 2.004 -0.437 8.294 1.00 1.00 H new ATOM 0 HD1 TYR A 36 2.827 2.660 6.336 1.00 1.00 H new ATOM 0 HD2 TYR A 36 4.333 -0.529 8.718 1.00 1.00 H new ATOM 0 HE1 TYR A 36 5.046 3.689 6.297 1.00 1.00 H new ATOM 0 HE2 TYR A 36 6.559 0.502 8.675 1.00 1.00 H new ATOM 0 HH TYR A 36 7.815 2.177 7.961 1.00 1.00 H new ATOM 551 N SER A 37 0.377 -1.902 7.134 1.00 1.00 N ATOM 552 CA SER A 37 -0.808 -2.793 7.252 1.00 1.00 C ATOM 553 C SER A 37 -1.698 -2.247 8.399 1.00 1.00 C ATOM 554 O SER A 37 -1.945 -2.963 9.358 1.00 1.00 O ATOM 555 CB SER A 37 -0.290 -4.230 7.532 1.00 1.00 C ATOM 556 OG SER A 37 0.483 -4.538 6.388 1.00 1.00 O ATOM 557 OXT SER A 37 -2.091 -1.102 8.240 1.00 1.00 O ATOM 0 H SER A 37 1.006 -1.935 7.936 1.00 1.00 H new ATOM 0 HA SER A 37 -1.410 -2.821 6.343 1.00 1.00 H new ATOM 0 HB2 SER A 37 0.309 -4.269 8.442 1.00 1.00 H new ATOM 0 HB3 SER A 37 -1.112 -4.934 7.661 1.00 1.00 H new ATOM 0 HG SER A 37 0.857 -5.439 6.479 1.00 1.00 H new