USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=11 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 -150:sc= -0.864 USER MOD Single : A 6 LYS NZ :NH3+ -163:sc= -0.023 (180deg=-0.375) USER MOD Single : A 8 THR OG1 : rot -52:sc= 0.717 USER MOD Single : A 10 SER OG : rot 24:sc= 0.93 USER MOD Single : A 11 LYS NZ :NH3+ -121:sc= -4.89! (180deg=-5.17!) USER MOD Single : A 12 GLN : amide:sc= -2.84 K(o=-2.8,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 GLN : amide:sc= -0.0267 K(o=-0.027,f=-1.8!) USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN :FLIP amide:sc= 1 F(o=0,f=1) USER MOD Single : A 27 LYS NZ :NH3+ -132:sc= -2.07! (180deg=-5.08!) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN :FLIP amide:sc= 0.0915 F(o=-0.66,f=0.092) USER MOD Single : A 32 LYS NZ :NH3+ -158:sc= 0.443 (180deg=-0.292) USER MOD Single : A 36 TYR OH : rot 0:sc= -1.33 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 15 N PHE A 2 3.603 1.057 -1.668 1.00 1.00 N ATOM 16 CA PHE A 2 3.992 2.446 -1.943 1.00 1.00 C ATOM 17 C PHE A 2 2.978 3.199 -2.803 1.00 1.00 C ATOM 18 O PHE A 2 2.187 2.637 -3.536 1.00 1.00 O ATOM 19 CB PHE A 2 5.362 2.300 -2.574 1.00 1.00 C ATOM 20 CG PHE A 2 5.790 3.524 -3.347 1.00 1.00 C ATOM 21 CD1 PHE A 2 5.316 3.767 -4.627 1.00 1.00 C ATOM 22 CD2 PHE A 2 6.673 4.426 -2.782 1.00 1.00 C ATOM 23 CE1 PHE A 2 5.721 4.886 -5.326 1.00 1.00 C ATOM 24 CE2 PHE A 2 7.078 5.545 -3.478 1.00 1.00 C ATOM 25 CZ PHE A 2 6.603 5.777 -4.750 1.00 1.00 C ATOM 0 HA PHE A 2 4.020 3.067 -1.048 1.00 1.00 H new ATOM 0 HB2 PHE A 2 6.095 2.095 -1.794 1.00 1.00 H new ATOM 0 HB3 PHE A 2 5.358 1.439 -3.242 1.00 1.00 H new ATOM 0 HD1 PHE A 2 4.623 3.074 -5.081 1.00 1.00 H new ATOM 0 HD2 PHE A 2 7.049 4.252 -1.785 1.00 1.00 H new ATOM 0 HE1 PHE A 2 5.348 5.064 -6.324 1.00 1.00 H new ATOM 0 HE2 PHE A 2 7.769 6.241 -3.025 1.00 1.00 H new ATOM 0 HZ PHE A 2 6.920 6.654 -5.295 1.00 1.00 H new ATOM 35 N THR A 3 3.088 4.485 -2.632 1.00 1.00 N ATOM 36 CA THR A 3 2.239 5.493 -3.335 1.00 1.00 C ATOM 37 C THR A 3 3.159 6.582 -3.873 1.00 1.00 C ATOM 38 O THR A 3 4.270 6.725 -3.401 1.00 1.00 O ATOM 39 CB THR A 3 1.230 6.115 -2.347 1.00 1.00 C ATOM 40 OG1 THR A 3 1.995 6.516 -1.220 1.00 1.00 O ATOM 41 CG2 THR A 3 0.256 5.063 -1.782 1.00 1.00 C ATOM 0 H THR A 3 3.770 4.902 -1.998 1.00 1.00 H new ATOM 0 HA THR A 3 1.685 5.019 -4.145 1.00 1.00 H new ATOM 0 HB THR A 3 0.679 6.905 -2.858 1.00 1.00 H new ATOM 0 HG1 THR A 3 1.440 6.467 -0.414 1.00 1.00 H new ATOM 0 HG21 THR A 3 -0.437 5.543 -1.091 1.00 1.00 H new ATOM 0 HG22 THR A 3 -0.303 4.609 -2.600 1.00 1.00 H new ATOM 0 HG23 THR A 3 0.818 4.292 -1.255 1.00 1.00 H new ATOM 49 N ASP A 4 2.669 7.325 -4.832 1.00 1.00 N ATOM 50 CA ASP A 4 3.496 8.416 -5.425 1.00 1.00 C ATOM 51 C ASP A 4 2.831 9.769 -5.134 1.00 1.00 C ATOM 52 O ASP A 4 2.629 10.585 -6.011 1.00 1.00 O ATOM 53 CB ASP A 4 3.616 8.152 -6.944 1.00 1.00 C ATOM 54 CG ASP A 4 4.625 9.095 -7.653 1.00 1.00 C ATOM 55 OD1 ASP A 4 5.277 9.890 -6.989 1.00 1.00 O ATOM 56 OD2 ASP A 4 4.688 8.957 -8.864 1.00 1.00 O ATOM 0 H ASP A 4 1.735 7.223 -5.228 1.00 1.00 H new ATOM 0 HA ASP A 4 4.496 8.439 -4.991 1.00 1.00 H new ATOM 0 HB2 ASP A 4 3.922 7.118 -7.103 1.00 1.00 H new ATOM 0 HB3 ASP A 4 2.635 8.268 -7.405 1.00 1.00 H new ATOM 61 N VAL A 5 2.515 9.947 -3.876 1.00 1.00 N ATOM 62 CA VAL A 5 1.862 11.214 -3.412 1.00 1.00 C ATOM 63 C VAL A 5 2.943 11.958 -2.617 1.00 1.00 C ATOM 64 O VAL A 5 3.748 11.335 -1.955 1.00 1.00 O ATOM 65 CB VAL A 5 0.657 10.858 -2.515 1.00 1.00 C ATOM 66 CG1 VAL A 5 -0.027 12.151 -2.016 1.00 1.00 C ATOM 67 CG2 VAL A 5 -0.351 10.019 -3.324 1.00 1.00 C ATOM 0 H VAL A 5 2.683 9.261 -3.140 1.00 1.00 H new ATOM 0 HA VAL A 5 1.489 11.828 -4.232 1.00 1.00 H new ATOM 0 HB VAL A 5 1.004 10.284 -1.656 1.00 1.00 H new ATOM 0 HG11 VAL A 5 -0.876 11.893 -1.384 1.00 1.00 H new ATOM 0 HG12 VAL A 5 0.687 12.742 -1.442 1.00 1.00 H new ATOM 0 HG13 VAL A 5 -0.374 12.732 -2.870 1.00 1.00 H new ATOM 0 HG21 VAL A 5 -1.203 9.766 -2.693 1.00 1.00 H new ATOM 0 HG22 VAL A 5 -0.694 10.593 -4.185 1.00 1.00 H new ATOM 0 HG23 VAL A 5 0.131 9.103 -3.667 1.00 1.00 H new ATOM 77 N LYS A 6 2.928 13.267 -2.690 1.00 1.00 N ATOM 78 CA LYS A 6 3.952 14.069 -1.953 1.00 1.00 C ATOM 79 C LYS A 6 3.762 14.041 -0.426 1.00 1.00 C ATOM 80 O LYS A 6 2.654 14.169 0.049 1.00 1.00 O ATOM 81 CB LYS A 6 3.892 15.529 -2.471 1.00 1.00 C ATOM 82 CG LYS A 6 2.487 16.146 -2.268 1.00 1.00 C ATOM 83 CD LYS A 6 2.477 17.572 -2.853 1.00 1.00 C ATOM 84 CE LYS A 6 1.093 18.205 -2.638 1.00 1.00 C ATOM 85 NZ LYS A 6 0.046 17.436 -3.371 1.00 1.00 N ATOM 0 H LYS A 6 2.253 13.812 -3.226 1.00 1.00 H new ATOM 0 HA LYS A 6 4.928 13.623 -2.143 1.00 1.00 H new ATOM 0 HB2 LYS A 6 4.634 16.132 -1.948 1.00 1.00 H new ATOM 0 HB3 LYS A 6 4.151 15.551 -3.530 1.00 1.00 H new ATOM 0 HG2 LYS A 6 1.732 15.532 -2.759 1.00 1.00 H new ATOM 0 HG3 LYS A 6 2.237 16.172 -1.207 1.00 1.00 H new ATOM 0 HD2 LYS A 6 3.245 18.179 -2.373 1.00 1.00 H new ATOM 0 HD3 LYS A 6 2.714 17.542 -3.917 1.00 1.00 H new ATOM 0 HE2 LYS A 6 0.858 18.227 -1.574 1.00 1.00 H new ATOM 0 HE3 LYS A 6 1.102 19.239 -2.984 1.00 1.00 H new ATOM 0 HZ1 LYS A 6 -0.813 18.016 -3.460 1.00 1.00 H new ATOM 0 HZ2 LYS A 6 0.396 17.189 -4.319 1.00 1.00 H new ATOM 0 HZ3 LYS A 6 -0.177 16.566 -2.847 1.00 1.00 H new ATOM 99 N CYS A 7 4.859 13.866 0.268 1.00 1.00 N ATOM 100 CA CYS A 7 4.800 13.824 1.766 1.00 1.00 C ATOM 101 C CYS A 7 5.821 14.746 2.432 1.00 1.00 C ATOM 102 O CYS A 7 6.801 15.144 1.831 1.00 1.00 O ATOM 103 CB CYS A 7 5.023 12.374 2.224 1.00 1.00 C ATOM 104 SG CYS A 7 6.398 11.416 1.537 1.00 1.00 S ATOM 0 H CYS A 7 5.790 13.751 -0.133 1.00 1.00 H new ATOM 0 HA CYS A 7 3.818 14.184 2.072 1.00 1.00 H new ATOM 0 HB2 CYS A 7 5.147 12.390 3.307 1.00 1.00 H new ATOM 0 HB3 CYS A 7 4.106 11.822 2.016 1.00 1.00 H new ATOM 109 N THR A 8 5.533 15.048 3.676 1.00 1.00 N ATOM 110 CA THR A 8 6.367 15.914 4.520 1.00 1.00 C ATOM 111 C THR A 8 6.475 15.274 5.918 1.00 1.00 C ATOM 112 O THR A 8 6.365 15.924 6.940 1.00 1.00 O ATOM 113 CB THR A 8 5.700 17.331 4.535 1.00 1.00 C ATOM 114 OG1 THR A 8 6.522 18.130 5.375 1.00 1.00 O ATOM 115 CG2 THR A 8 4.307 17.348 5.202 1.00 1.00 C ATOM 0 H THR A 8 4.701 14.699 4.151 1.00 1.00 H new ATOM 0 HA THR A 8 7.384 16.024 4.143 1.00 1.00 H new ATOM 0 HB THR A 8 5.596 17.668 3.504 1.00 1.00 H new ATOM 0 HG1 THR A 8 6.658 17.672 6.231 1.00 1.00 H new ATOM 0 HG21 THR A 8 3.904 18.360 5.177 1.00 1.00 H new ATOM 0 HG22 THR A 8 3.637 16.678 4.663 1.00 1.00 H new ATOM 0 HG23 THR A 8 4.395 17.018 6.237 1.00 1.00 H new ATOM 123 N GLY A 9 6.697 13.986 5.888 1.00 1.00 N ATOM 124 CA GLY A 9 6.836 13.173 7.135 1.00 1.00 C ATOM 125 C GLY A 9 5.794 12.053 7.162 1.00 1.00 C ATOM 126 O GLY A 9 4.860 12.046 6.383 1.00 1.00 O ATOM 0 H GLY A 9 6.790 13.448 5.026 1.00 1.00 H new ATOM 0 HA2 GLY A 9 7.838 12.747 7.189 1.00 1.00 H new ATOM 0 HA3 GLY A 9 6.714 13.813 8.009 1.00 1.00 H new ATOM 130 N SER A 10 6.002 11.137 8.076 1.00 1.00 N ATOM 131 CA SER A 10 5.097 9.968 8.252 1.00 1.00 C ATOM 132 C SER A 10 3.610 10.346 8.276 1.00 1.00 C ATOM 133 O SER A 10 2.861 9.927 7.420 1.00 1.00 O ATOM 134 CB SER A 10 5.493 9.256 9.554 1.00 1.00 C ATOM 135 OG SER A 10 4.601 8.155 9.662 1.00 1.00 O ATOM 0 H SER A 10 6.788 11.156 8.726 1.00 1.00 H new ATOM 0 HA SER A 10 5.217 9.311 7.390 1.00 1.00 H new ATOM 0 HB2 SER A 10 6.530 8.921 9.520 1.00 1.00 H new ATOM 0 HB3 SER A 10 5.401 9.923 10.411 1.00 1.00 H new ATOM 0 HG SER A 10 4.263 7.920 8.773 1.00 1.00 H new ATOM 141 N LYS A 11 3.256 11.125 9.266 1.00 1.00 N ATOM 142 CA LYS A 11 1.866 11.619 9.489 1.00 1.00 C ATOM 143 C LYS A 11 1.078 12.022 8.233 1.00 1.00 C ATOM 144 O LYS A 11 -0.123 11.937 8.210 1.00 1.00 O ATOM 145 CB LYS A 11 1.953 12.814 10.500 1.00 1.00 C ATOM 146 CG LYS A 11 3.281 13.657 10.449 1.00 1.00 C ATOM 147 CD LYS A 11 3.601 14.371 9.101 1.00 1.00 C ATOM 148 CE LYS A 11 2.666 15.572 8.812 1.00 1.00 C ATOM 149 NZ LYS A 11 1.264 15.142 8.554 1.00 1.00 N ATOM 0 H LYS A 11 3.917 11.456 9.969 1.00 1.00 H new ATOM 0 HA LYS A 11 1.291 10.779 9.879 1.00 1.00 H new ATOM 0 HB2 LYS A 11 1.113 13.483 10.316 1.00 1.00 H new ATOM 0 HB3 LYS A 11 1.833 12.421 11.510 1.00 1.00 H new ATOM 0 HG2 LYS A 11 3.235 14.413 11.233 1.00 1.00 H new ATOM 0 HG3 LYS A 11 4.114 12.997 10.691 1.00 1.00 H new ATOM 0 HD2 LYS A 11 4.634 14.718 9.117 1.00 1.00 H new ATOM 0 HD3 LYS A 11 3.519 13.651 8.287 1.00 1.00 H new ATOM 0 HE2 LYS A 11 2.684 16.257 9.660 1.00 1.00 H new ATOM 0 HE3 LYS A 11 3.040 16.123 7.949 1.00 1.00 H new ATOM 0 HZ1 LYS A 11 0.972 15.459 7.607 1.00 1.00 H new ATOM 0 HZ2 LYS A 11 1.204 14.105 8.606 1.00 1.00 H new ATOM 0 HZ3 LYS A 11 0.635 15.561 9.269 1.00 1.00 H new ATOM 163 N GLN A 12 1.797 12.459 7.237 1.00 1.00 N ATOM 164 CA GLN A 12 1.191 12.896 5.940 1.00 1.00 C ATOM 165 C GLN A 12 0.636 11.693 5.143 1.00 1.00 C ATOM 166 O GLN A 12 -0.414 11.736 4.542 1.00 1.00 O ATOM 167 CB GLN A 12 2.277 13.620 5.179 1.00 1.00 C ATOM 168 CG GLN A 12 1.743 14.585 4.092 1.00 1.00 C ATOM 169 CD GLN A 12 0.973 13.845 2.994 1.00 1.00 C ATOM 170 OE1 GLN A 12 1.477 12.939 2.360 1.00 1.00 O ATOM 171 NE2 GLN A 12 -0.245 14.210 2.743 1.00 1.00 N ATOM 0 H GLN A 12 2.814 12.535 7.267 1.00 1.00 H new ATOM 0 HA GLN A 12 0.339 13.554 6.110 1.00 1.00 H new ATOM 0 HB2 GLN A 12 2.887 14.184 5.884 1.00 1.00 H new ATOM 0 HB3 GLN A 12 2.930 12.885 4.709 1.00 1.00 H new ATOM 0 HG2 GLN A 12 1.092 15.327 4.554 1.00 1.00 H new ATOM 0 HG3 GLN A 12 2.578 15.127 3.647 1.00 1.00 H new ATOM 0 HE21 GLN A 12 -0.669 14.970 3.274 1.00 1.00 H new ATOM 0 HE22 GLN A 12 -0.779 13.737 2.014 1.00 1.00 H new ATOM 180 N CYS A 13 1.403 10.639 5.195 1.00 1.00 N ATOM 181 CA CYS A 13 1.071 9.378 4.495 1.00 1.00 C ATOM 182 C CYS A 13 0.024 8.539 5.215 1.00 1.00 C ATOM 183 O CYS A 13 -0.418 7.546 4.680 1.00 1.00 O ATOM 184 CB CYS A 13 2.376 8.630 4.336 1.00 1.00 C ATOM 185 SG CYS A 13 3.631 9.547 3.417 1.00 1.00 S ATOM 0 H CYS A 13 2.279 10.606 5.716 1.00 1.00 H new ATOM 0 HA CYS A 13 0.613 9.600 3.531 1.00 1.00 H new ATOM 0 HB2 CYS A 13 2.767 8.386 5.324 1.00 1.00 H new ATOM 0 HB3 CYS A 13 2.184 7.685 3.827 1.00 1.00 H new ATOM 190 N TRP A 14 -0.326 8.948 6.404 1.00 1.00 N ATOM 191 CA TRP A 14 -1.346 8.196 7.165 1.00 1.00 C ATOM 192 C TRP A 14 -2.730 8.389 6.497 1.00 1.00 C ATOM 193 O TRP A 14 -3.335 7.404 6.116 1.00 1.00 O ATOM 194 CB TRP A 14 -1.313 8.733 8.605 1.00 1.00 C ATOM 195 CG TRP A 14 -0.206 8.040 9.410 1.00 1.00 C ATOM 196 CD1 TRP A 14 1.073 7.934 9.010 1.00 1.00 C ATOM 197 CD2 TRP A 14 -0.343 7.443 10.610 1.00 1.00 C ATOM 198 NE1 TRP A 14 1.648 7.275 9.995 1.00 1.00 N ATOM 199 CE2 TRP A 14 0.877 6.929 11.011 1.00 1.00 C ATOM 200 CE3 TRP A 14 -1.459 7.287 11.427 1.00 1.00 C ATOM 201 CZ2 TRP A 14 0.993 6.259 12.226 1.00 1.00 C ATOM 202 CZ3 TRP A 14 -1.346 6.617 12.643 1.00 1.00 C ATOM 203 CH2 TRP A 14 -0.116 6.103 13.042 1.00 1.00 C ATOM 0 H TRP A 14 0.053 9.769 6.875 1.00 1.00 H new ATOM 0 HA TRP A 14 -1.147 7.124 7.175 1.00 1.00 H new ATOM 0 HB2 TRP A 14 -1.144 9.810 8.594 1.00 1.00 H new ATOM 0 HB3 TRP A 14 -2.278 8.567 9.084 1.00 1.00 H new ATOM 0 HD1 TRP A 14 1.522 8.301 8.099 1.00 1.00 H new ATOM 0 HE1 TRP A 14 2.641 7.043 9.975 1.00 1.00 H new ATOM 0 HE3 TRP A 14 -2.414 7.686 11.118 1.00 1.00 H new ATOM 0 HZ2 TRP A 14 1.949 5.860 12.533 1.00 1.00 H new ATOM 0 HZ3 TRP A 14 -2.213 6.497 13.276 1.00 1.00 H new ATOM 0 HH2 TRP A 14 -0.026 5.584 13.985 1.00 1.00 H new ATOM 214 N PRO A 15 -3.205 9.615 6.356 1.00 1.00 N ATOM 215 CA PRO A 15 -4.461 9.912 5.618 1.00 1.00 C ATOM 216 C PRO A 15 -4.307 9.551 4.139 1.00 1.00 C ATOM 217 O PRO A 15 -5.195 8.941 3.580 1.00 1.00 O ATOM 218 CB PRO A 15 -4.707 11.403 5.862 1.00 1.00 C ATOM 219 CG PRO A 15 -3.277 11.955 6.009 1.00 1.00 C ATOM 220 CD PRO A 15 -2.597 10.879 6.871 1.00 1.00 C ATOM 0 HA PRO A 15 -5.315 9.326 5.956 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -5.239 11.868 5.032 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -5.303 11.575 6.758 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.785 12.073 5.043 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.266 12.931 6.494 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.514 10.887 6.749 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -2.799 11.023 7.932 1.00 1.00 H new ATOM 228 N VAL A 16 -3.200 9.930 3.542 1.00 1.00 N ATOM 229 CA VAL A 16 -2.996 9.601 2.096 1.00 1.00 C ATOM 230 C VAL A 16 -3.123 8.095 1.859 1.00 1.00 C ATOM 231 O VAL A 16 -3.790 7.676 0.933 1.00 1.00 O ATOM 232 CB VAL A 16 -1.624 10.094 1.674 1.00 1.00 C ATOM 233 CG1 VAL A 16 -1.216 9.568 0.276 1.00 1.00 C ATOM 234 CG2 VAL A 16 -1.624 11.633 1.628 1.00 1.00 C ATOM 0 H VAL A 16 -2.440 10.445 3.987 1.00 1.00 H new ATOM 0 HA VAL A 16 -3.763 10.094 1.499 1.00 1.00 H new ATOM 0 HB VAL A 16 -0.908 9.720 2.406 1.00 1.00 H new ATOM 0 HG11 VAL A 16 -0.227 9.948 0.019 1.00 1.00 H new ATOM 0 HG12 VAL A 16 -1.194 8.478 0.289 1.00 1.00 H new ATOM 0 HG13 VAL A 16 -1.939 9.907 -0.466 1.00 1.00 H new ATOM 0 HG21 VAL A 16 -0.639 11.988 1.325 1.00 1.00 H new ATOM 0 HG22 VAL A 16 -2.370 11.976 0.911 1.00 1.00 H new ATOM 0 HG23 VAL A 16 -1.863 12.027 2.616 1.00 1.00 H new ATOM 244 N CYS A 17 -2.484 7.330 2.705 1.00 1.00 N ATOM 245 CA CYS A 17 -2.560 5.849 2.539 1.00 1.00 C ATOM 246 C CYS A 17 -3.979 5.380 2.849 1.00 1.00 C ATOM 247 O CYS A 17 -4.509 4.551 2.136 1.00 1.00 O ATOM 248 CB CYS A 17 -1.614 5.123 3.488 1.00 1.00 C ATOM 249 SG CYS A 17 -1.692 3.334 3.249 1.00 1.00 S ATOM 0 H CYS A 17 -1.922 7.659 3.490 1.00 1.00 H new ATOM 0 HA CYS A 17 -2.277 5.620 1.512 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -0.594 5.470 3.324 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -1.872 5.366 4.519 1.00 1.00 H new ATOM 254 N LYS A 18 -4.548 5.912 3.901 1.00 1.00 N ATOM 255 CA LYS A 18 -5.940 5.530 4.296 1.00 1.00 C ATOM 256 C LYS A 18 -6.851 5.652 3.054 1.00 1.00 C ATOM 257 O LYS A 18 -7.693 4.817 2.787 1.00 1.00 O ATOM 258 CB LYS A 18 -6.407 6.481 5.416 1.00 1.00 C ATOM 259 CG LYS A 18 -7.774 6.067 5.937 1.00 1.00 C ATOM 260 CD LYS A 18 -8.223 6.977 7.109 1.00 1.00 C ATOM 261 CE LYS A 18 -8.442 8.430 6.633 1.00 1.00 C ATOM 262 NZ LYS A 18 -8.918 9.268 7.770 1.00 1.00 N ATOM 0 H LYS A 18 -4.105 6.601 4.509 1.00 1.00 H new ATOM 0 HA LYS A 18 -5.981 4.505 4.664 1.00 1.00 H new ATOM 0 HB2 LYS A 18 -5.684 6.473 6.232 1.00 1.00 H new ATOM 0 HB3 LYS A 18 -6.450 7.502 5.038 1.00 1.00 H new ATOM 0 HG2 LYS A 18 -8.505 6.120 5.131 1.00 1.00 H new ATOM 0 HG3 LYS A 18 -7.741 5.030 6.270 1.00 1.00 H new ATOM 0 HD2 LYS A 18 -9.146 6.590 7.541 1.00 1.00 H new ATOM 0 HD3 LYS A 18 -7.470 6.959 7.897 1.00 1.00 H new ATOM 0 HE2 LYS A 18 -7.512 8.836 6.235 1.00 1.00 H new ATOM 0 HE3 LYS A 18 -9.172 8.451 5.823 1.00 1.00 H new ATOM 0 HZ1 LYS A 18 -9.064 10.245 7.444 1.00 1.00 H new ATOM 0 HZ2 LYS A 18 -9.815 8.886 8.131 1.00 1.00 H new ATOM 0 HZ3 LYS A 18 -8.207 9.259 8.529 1.00 1.00 H new ATOM 276 N GLN A 19 -6.623 6.723 2.340 1.00 1.00 N ATOM 277 CA GLN A 19 -7.400 7.024 1.097 1.00 1.00 C ATOM 278 C GLN A 19 -7.059 6.081 -0.066 1.00 1.00 C ATOM 279 O GLN A 19 -7.947 5.535 -0.690 1.00 1.00 O ATOM 280 CB GLN A 19 -7.111 8.486 0.709 1.00 1.00 C ATOM 281 CG GLN A 19 -7.715 9.426 1.776 1.00 1.00 C ATOM 282 CD GLN A 19 -7.223 10.859 1.537 1.00 1.00 C ATOM 283 OE1 GLN A 19 -6.047 11.149 1.633 1.00 1.00 O ATOM 284 NE2 GLN A 19 -8.089 11.784 1.226 1.00 1.00 N ATOM 0 H GLN A 19 -5.914 7.419 2.571 1.00 1.00 H new ATOM 0 HA GLN A 19 -8.460 6.871 1.301 1.00 1.00 H new ATOM 0 HB2 GLN A 19 -6.036 8.648 0.632 1.00 1.00 H new ATOM 0 HB3 GLN A 19 -7.538 8.706 -0.270 1.00 1.00 H new ATOM 0 HG2 GLN A 19 -8.804 9.392 1.731 1.00 1.00 H new ATOM 0 HG3 GLN A 19 -7.427 9.093 2.773 1.00 1.00 H new ATOM 0 HE21 GLN A 19 -9.078 11.549 1.143 1.00 1.00 H new ATOM 0 HE22 GLN A 19 -7.777 12.742 1.066 1.00 1.00 H new ATOM 293 N MET A 20 -5.785 5.916 -0.324 1.00 1.00 N ATOM 294 CA MET A 20 -5.286 5.057 -1.411 1.00 1.00 C ATOM 295 C MET A 20 -5.642 3.574 -1.247 1.00 1.00 C ATOM 296 O MET A 20 -6.253 2.980 -2.114 1.00 1.00 O ATOM 297 CB MET A 20 -3.766 5.260 -1.464 1.00 1.00 C ATOM 298 CG MET A 20 -3.419 6.662 -2.004 1.00 1.00 C ATOM 299 SD MET A 20 -3.812 7.006 -3.738 1.00 1.00 S ATOM 300 CE MET A 20 -2.254 6.435 -4.466 1.00 1.00 C ATOM 0 H MET A 20 -5.045 6.371 0.210 1.00 1.00 H new ATOM 0 HA MET A 20 -5.769 5.346 -2.344 1.00 1.00 H new ATOM 0 HB2 MET A 20 -3.343 5.134 -0.467 1.00 1.00 H new ATOM 0 HB3 MET A 20 -3.315 4.498 -2.100 1.00 1.00 H new ATOM 0 HG2 MET A 20 -3.937 7.398 -1.389 1.00 1.00 H new ATOM 0 HG3 MET A 20 -2.350 6.823 -1.862 1.00 1.00 H new ATOM 0 HE1 MET A 20 -2.290 6.563 -5.548 1.00 1.00 H new ATOM 0 HE2 MET A 20 -1.427 7.017 -4.059 1.00 1.00 H new ATOM 0 HE3 MET A 20 -2.107 5.381 -4.230 1.00 1.00 H new ATOM 310 N PHE A 21 -5.239 3.036 -0.127 1.00 1.00 N ATOM 311 CA PHE A 21 -5.485 1.608 0.206 1.00 1.00 C ATOM 312 C PHE A 21 -6.495 1.437 1.352 1.00 1.00 C ATOM 313 O PHE A 21 -7.530 0.821 1.182 1.00 1.00 O ATOM 314 CB PHE A 21 -4.151 0.979 0.616 1.00 1.00 C ATOM 315 CG PHE A 21 -3.197 0.812 -0.567 1.00 1.00 C ATOM 316 CD1 PHE A 21 -2.528 1.900 -1.100 1.00 1.00 C ATOM 317 CD2 PHE A 21 -2.994 -0.428 -1.127 1.00 1.00 C ATOM 318 CE1 PHE A 21 -1.675 1.741 -2.172 1.00 1.00 C ATOM 319 CE2 PHE A 21 -2.140 -0.588 -2.198 1.00 1.00 C ATOM 320 CZ PHE A 21 -1.479 0.493 -2.721 1.00 1.00 C ATOM 0 H PHE A 21 -4.732 3.549 0.594 1.00 1.00 H new ATOM 0 HA PHE A 21 -5.908 1.120 -0.672 1.00 1.00 H new ATOM 0 HB2 PHE A 21 -3.678 1.601 1.376 1.00 1.00 H new ATOM 0 HB3 PHE A 21 -4.336 0.006 1.070 1.00 1.00 H new ATOM 0 HD1 PHE A 21 -2.675 2.881 -0.673 1.00 1.00 H new ATOM 0 HD2 PHE A 21 -3.510 -1.287 -0.723 1.00 1.00 H new ATOM 0 HE1 PHE A 21 -1.160 2.597 -2.582 1.00 1.00 H new ATOM 0 HE2 PHE A 21 -1.992 -1.568 -2.626 1.00 1.00 H new ATOM 0 HZ PHE A 21 -0.809 0.367 -3.558 1.00 1.00 H new ATOM 330 N GLY A 22 -6.143 1.996 2.480 1.00 1.00 N ATOM 331 CA GLY A 22 -6.984 1.934 3.713 1.00 1.00 C ATOM 332 C GLY A 22 -6.134 1.250 4.784 1.00 1.00 C ATOM 333 O GLY A 22 -6.593 0.391 5.512 1.00 1.00 O ATOM 0 H GLY A 22 -5.272 2.513 2.601 1.00 1.00 H new ATOM 0 HA2 GLY A 22 -7.279 2.934 4.032 1.00 1.00 H new ATOM 0 HA3 GLY A 22 -7.901 1.374 3.529 1.00 1.00 H new ATOM 337 N LYS A 23 -4.900 1.684 4.821 1.00 1.00 N ATOM 338 CA LYS A 23 -3.882 1.165 5.780 1.00 1.00 C ATOM 339 C LYS A 23 -3.317 2.413 6.487 1.00 1.00 C ATOM 340 O LYS A 23 -2.238 2.866 6.152 1.00 1.00 O ATOM 341 CB LYS A 23 -2.791 0.414 4.975 1.00 1.00 C ATOM 342 CG LYS A 23 -3.434 -0.717 4.151 1.00 1.00 C ATOM 343 CD LYS A 23 -2.366 -1.360 3.241 1.00 1.00 C ATOM 344 CE LYS A 23 -3.025 -2.458 2.387 1.00 1.00 C ATOM 345 NZ LYS A 23 -2.025 -3.043 1.449 1.00 1.00 N ATOM 0 H LYS A 23 -4.544 2.408 4.197 1.00 1.00 H new ATOM 0 HA LYS A 23 -4.286 0.465 6.512 1.00 1.00 H new ATOM 0 HB2 LYS A 23 -2.272 1.108 4.314 1.00 1.00 H new ATOM 0 HB3 LYS A 23 -2.044 0.002 5.654 1.00 1.00 H new ATOM 0 HG2 LYS A 23 -3.861 -1.468 4.815 1.00 1.00 H new ATOM 0 HG3 LYS A 23 -4.252 -0.323 3.548 1.00 1.00 H new ATOM 0 HD2 LYS A 23 -1.915 -0.604 2.598 1.00 1.00 H new ATOM 0 HD3 LYS A 23 -1.564 -1.784 3.845 1.00 1.00 H new ATOM 0 HE2 LYS A 23 -3.430 -3.238 3.032 1.00 1.00 H new ATOM 0 HE3 LYS A 23 -3.862 -2.041 1.826 1.00 1.00 H new ATOM 0 HZ1 LYS A 23 -2.478 -3.783 0.876 1.00 1.00 H new ATOM 0 HZ2 LYS A 23 -1.658 -2.297 0.824 1.00 1.00 H new ATOM 0 HZ3 LYS A 23 -1.240 -3.457 1.992 1.00 1.00 H new ATOM 359 N PRO A 24 -4.057 2.940 7.440 1.00 1.00 N ATOM 360 CA PRO A 24 -3.979 4.374 7.845 1.00 1.00 C ATOM 361 C PRO A 24 -2.627 4.813 8.398 1.00 1.00 C ATOM 362 O PRO A 24 -2.441 5.974 8.702 1.00 1.00 O ATOM 363 CB PRO A 24 -5.115 4.533 8.854 1.00 1.00 C ATOM 364 CG PRO A 24 -5.148 3.136 9.500 1.00 1.00 C ATOM 365 CD PRO A 24 -5.051 2.208 8.271 1.00 1.00 C ATOM 0 HA PRO A 24 -4.083 5.029 6.980 1.00 1.00 H new ATOM 0 HB2 PRO A 24 -4.910 5.317 9.583 1.00 1.00 H new ATOM 0 HB3 PRO A 24 -6.060 4.785 8.372 1.00 1.00 H new ATOM 0 HG2 PRO A 24 -4.318 2.986 10.190 1.00 1.00 H new ATOM 0 HG3 PRO A 24 -6.065 2.970 10.065 1.00 1.00 H new ATOM 0 HD2 PRO A 24 -4.710 1.207 8.536 1.00 1.00 H new ATOM 0 HD3 PRO A 24 -6.009 2.094 7.763 1.00 1.00 H new ATOM 373 N ASN A 25 -1.728 3.874 8.517 1.00 1.00 N ATOM 374 CA ASN A 25 -0.380 4.128 9.023 1.00 1.00 C ATOM 375 C ASN A 25 0.503 4.032 7.793 1.00 1.00 C ATOM 376 O ASN A 25 0.545 3.017 7.122 1.00 1.00 O ATOM 377 CB ASN A 25 -0.009 3.060 9.996 1.00 1.00 C ATOM 378 CG ASN A 25 -1.172 2.722 10.939 1.00 1.00 C ATOM 379 OD1 ASN A 25 -1.673 1.518 10.916 1.00 1.00 O flip ATOM 380 ND2 ASN A 25 -1.635 3.551 11.697 1.00 1.00 N flip ATOM 0 H ASN A 25 -1.898 2.900 8.267 1.00 1.00 H new ATOM 0 HA ASN A 25 -0.288 5.088 9.531 1.00 1.00 H new ATOM 0 HB2 ASN A 25 0.293 2.163 9.455 1.00 1.00 H new ATOM 0 HB3 ASN A 25 0.852 3.384 10.581 1.00 1.00 H new ATOM 0 HD21 ASN A 25 -1.247 4.494 11.720 1.00 1.00 H new ATOM 0 HD22 ASN A 25 -2.411 3.304 12.311 1.00 1.00 H new ATOM 387 N GLY A 26 1.183 5.107 7.538 1.00 1.00 N ATOM 388 CA GLY A 26 2.106 5.170 6.375 1.00 1.00 C ATOM 389 C GLY A 26 3.317 6.005 6.756 1.00 1.00 C ATOM 390 O GLY A 26 3.274 6.752 7.715 1.00 1.00 O ATOM 0 H GLY A 26 1.139 5.961 8.095 1.00 1.00 H new ATOM 0 HA2 GLY A 26 2.416 4.166 6.084 1.00 1.00 H new ATOM 0 HA3 GLY A 26 1.600 5.609 5.515 1.00 1.00 H new ATOM 394 N LYS A 27 4.373 5.859 6.005 1.00 1.00 N ATOM 395 CA LYS A 27 5.603 6.653 6.309 1.00 1.00 C ATOM 396 C LYS A 27 5.997 7.347 5.003 1.00 1.00 C ATOM 397 O LYS A 27 5.357 7.121 3.996 1.00 1.00 O ATOM 398 CB LYS A 27 6.747 5.714 6.837 1.00 1.00 C ATOM 399 CG LYS A 27 7.407 4.803 5.776 1.00 1.00 C ATOM 400 CD LYS A 27 7.009 3.339 5.847 1.00 1.00 C ATOM 401 CE LYS A 27 5.512 3.166 5.626 1.00 1.00 C ATOM 402 NZ LYS A 27 5.198 1.722 5.569 1.00 1.00 N ATOM 0 H LYS A 27 4.441 5.233 5.203 1.00 1.00 H new ATOM 0 HA LYS A 27 5.426 7.388 7.094 1.00 1.00 H new ATOM 0 HB2 LYS A 27 7.521 6.334 7.290 1.00 1.00 H new ATOM 0 HB3 LYS A 27 6.340 5.084 7.628 1.00 1.00 H new ATOM 0 HG2 LYS A 27 7.157 5.184 4.786 1.00 1.00 H new ATOM 0 HG3 LYS A 27 8.490 4.875 5.881 1.00 1.00 H new ATOM 0 HD2 LYS A 27 7.559 2.773 5.095 1.00 1.00 H new ATOM 0 HD3 LYS A 27 7.286 2.930 6.819 1.00 1.00 H new ATOM 0 HE2 LYS A 27 4.955 3.641 6.433 1.00 1.00 H new ATOM 0 HE3 LYS A 27 5.209 3.654 4.700 1.00 1.00 H new ATOM 0 HZ1 LYS A 27 4.596 1.530 4.743 1.00 1.00 H new ATOM 0 HZ2 LYS A 27 6.081 1.178 5.489 1.00 1.00 H new ATOM 0 HZ3 LYS A 27 4.696 1.441 6.436 1.00 1.00 H new ATOM 416 N CYS A 28 7.018 8.164 5.029 1.00 1.00 N ATOM 417 CA CYS A 28 7.447 8.869 3.796 1.00 1.00 C ATOM 418 C CYS A 28 8.788 8.322 3.287 1.00 1.00 C ATOM 419 O CYS A 28 9.518 7.680 4.017 1.00 1.00 O ATOM 420 CB CYS A 28 7.528 10.373 4.140 1.00 1.00 C ATOM 421 SG CYS A 28 7.934 11.568 2.842 1.00 1.00 S ATOM 0 H CYS A 28 7.573 8.371 5.859 1.00 1.00 H new ATOM 0 HA CYS A 28 6.734 8.710 2.987 1.00 1.00 H new ATOM 0 HB2 CYS A 28 6.565 10.663 4.561 1.00 1.00 H new ATOM 0 HB3 CYS A 28 8.269 10.487 4.931 1.00 1.00 H new ATOM 426 N MET A 29 9.055 8.603 2.037 1.00 1.00 N ATOM 427 CA MET A 29 10.293 8.163 1.352 1.00 1.00 C ATOM 428 C MET A 29 10.792 9.367 0.559 1.00 1.00 C ATOM 429 O MET A 29 10.453 9.528 -0.589 1.00 1.00 O ATOM 430 CB MET A 29 9.975 6.969 0.406 1.00 1.00 C ATOM 431 CG MET A 29 9.366 5.797 1.199 1.00 1.00 C ATOM 432 SD MET A 29 8.986 4.289 0.271 1.00 1.00 S ATOM 433 CE MET A 29 10.583 3.456 0.456 1.00 1.00 C ATOM 0 H MET A 29 8.429 9.146 1.442 1.00 1.00 H new ATOM 0 HA MET A 29 11.050 7.824 2.059 1.00 1.00 H new ATOM 0 HB2 MET A 29 9.281 7.289 -0.371 1.00 1.00 H new ATOM 0 HB3 MET A 29 10.886 6.642 -0.095 1.00 1.00 H new ATOM 0 HG2 MET A 29 10.055 5.536 2.002 1.00 1.00 H new ATOM 0 HG3 MET A 29 8.447 6.147 1.669 1.00 1.00 H new ATOM 0 HE1 MET A 29 10.553 2.493 -0.054 1.00 1.00 H new ATOM 0 HE2 MET A 29 11.368 4.073 0.020 1.00 1.00 H new ATOM 0 HE3 MET A 29 10.791 3.299 1.514 1.00 1.00 H new ATOM 443 N ASN A 30 11.586 10.167 1.231 1.00 1.00 N ATOM 444 CA ASN A 30 12.185 11.412 0.652 1.00 1.00 C ATOM 445 C ASN A 30 11.299 12.082 -0.408 1.00 1.00 C ATOM 446 O ASN A 30 11.733 12.433 -1.489 1.00 1.00 O ATOM 447 CB ASN A 30 13.578 11.020 0.080 1.00 1.00 C ATOM 448 CG ASN A 30 13.468 9.884 -0.945 1.00 1.00 C ATOM 449 OD1 ASN A 30 13.988 8.722 -0.661 1.00 1.00 O flip ATOM 450 ND2 ASN A 30 12.906 10.036 -2.012 1.00 1.00 N flip ATOM 0 H ASN A 30 11.854 9.998 2.201 1.00 1.00 H new ATOM 0 HA ASN A 30 12.280 12.165 1.434 1.00 1.00 H new ATOM 0 HB2 ASN A 30 14.038 11.890 -0.388 1.00 1.00 H new ATOM 0 HB3 ASN A 30 14.233 10.713 0.895 1.00 1.00 H new ATOM 0 HD21 ASN A 30 12.495 10.939 -2.248 1.00 1.00 H new ATOM 0 HD22 ASN A 30 12.846 9.260 -2.672 1.00 1.00 H new ATOM 457 N GLY A 31 10.054 12.230 -0.025 1.00 1.00 N ATOM 458 CA GLY A 31 9.030 12.859 -0.907 1.00 1.00 C ATOM 459 C GLY A 31 7.791 12.035 -1.200 1.00 1.00 C ATOM 460 O GLY A 31 6.737 12.622 -1.303 1.00 1.00 O ATOM 0 H GLY A 31 9.700 11.933 0.884 1.00 1.00 H new ATOM 0 HA2 GLY A 31 8.716 13.797 -0.449 1.00 1.00 H new ATOM 0 HA3 GLY A 31 9.505 13.110 -1.855 1.00 1.00 H new ATOM 464 N LYS A 32 7.884 10.735 -1.341 1.00 1.00 N ATOM 465 CA LYS A 32 6.676 9.952 -1.624 1.00 1.00 C ATOM 466 C LYS A 32 6.370 9.000 -0.485 1.00 1.00 C ATOM 467 O LYS A 32 7.223 8.471 0.186 1.00 1.00 O ATOM 468 CB LYS A 32 6.859 9.131 -2.829 1.00 1.00 C ATOM 469 CG LYS A 32 6.982 9.894 -4.152 1.00 1.00 C ATOM 470 CD LYS A 32 8.348 10.598 -4.319 1.00 1.00 C ATOM 471 CE LYS A 32 8.404 11.271 -5.703 1.00 1.00 C ATOM 472 NZ LYS A 32 8.278 10.255 -6.789 1.00 1.00 N ATOM 0 H LYS A 32 8.748 10.198 -1.270 1.00 1.00 H new ATOM 0 HA LYS A 32 5.862 10.664 -1.760 1.00 1.00 H new ATOM 0 HB2 LYS A 32 7.755 8.524 -2.698 1.00 1.00 H new ATOM 0 HB3 LYS A 32 6.017 8.443 -2.907 1.00 1.00 H new ATOM 0 HG2 LYS A 32 6.833 9.201 -4.980 1.00 1.00 H new ATOM 0 HG3 LYS A 32 6.187 10.637 -4.212 1.00 1.00 H new ATOM 0 HD2 LYS A 32 8.486 11.341 -3.534 1.00 1.00 H new ATOM 0 HD3 LYS A 32 9.158 9.875 -4.220 1.00 1.00 H new ATOM 0 HE2 LYS A 32 7.602 12.004 -5.789 1.00 1.00 H new ATOM 0 HE3 LYS A 32 9.344 11.812 -5.812 1.00 1.00 H new ATOM 0 HZ1 LYS A 32 8.678 10.637 -7.670 1.00 1.00 H new ATOM 0 HZ2 LYS A 32 8.794 9.393 -6.520 1.00 1.00 H new ATOM 0 HZ3 LYS A 32 7.274 10.026 -6.936 1.00 1.00 H new ATOM 486 N CYS A 33 5.099 8.830 -0.362 1.00 1.00 N ATOM 487 CA CYS A 33 4.492 7.967 0.653 1.00 1.00 C ATOM 488 C CYS A 33 4.616 6.451 0.501 1.00 1.00 C ATOM 489 O CYS A 33 4.782 5.915 -0.570 1.00 1.00 O ATOM 490 CB CYS A 33 3.043 8.396 0.723 1.00 1.00 C ATOM 491 SG CYS A 33 2.718 9.910 1.650 1.00 1.00 S ATOM 0 H CYS A 33 4.417 9.287 -0.967 1.00 1.00 H new ATOM 0 HA CYS A 33 5.061 8.113 1.571 1.00 1.00 H new ATOM 0 HB2 CYS A 33 2.673 8.528 -0.294 1.00 1.00 H new ATOM 0 HB3 CYS A 33 2.465 7.587 1.170 1.00 1.00 H new ATOM 496 N ARG A 34 4.532 5.837 1.650 1.00 1.00 N ATOM 497 CA ARG A 34 4.601 4.370 1.822 1.00 1.00 C ATOM 498 C ARG A 34 3.507 4.020 2.848 1.00 1.00 C ATOM 499 O ARG A 34 3.151 4.839 3.673 1.00 1.00 O ATOM 500 CB ARG A 34 5.984 4.038 2.339 1.00 1.00 C ATOM 501 CG ARG A 34 6.118 2.518 2.643 1.00 1.00 C ATOM 502 CD ARG A 34 6.154 1.708 1.337 1.00 1.00 C ATOM 503 NE ARG A 34 5.937 0.271 1.681 1.00 1.00 N ATOM 504 CZ ARG A 34 6.819 -0.617 1.333 1.00 1.00 C ATOM 505 NH1 ARG A 34 7.864 -0.801 2.092 1.00 1.00 N ATOM 506 NH2 ARG A 34 6.622 -1.297 0.239 1.00 1.00 N ATOM 0 H ARG A 34 4.410 6.337 2.531 1.00 1.00 H new ATOM 0 HA ARG A 34 4.439 3.807 0.903 1.00 1.00 H new ATOM 0 HB2 ARG A 34 6.731 4.332 1.602 1.00 1.00 H new ATOM 0 HB3 ARG A 34 6.185 4.612 3.243 1.00 1.00 H new ATOM 0 HG2 ARG A 34 7.027 2.335 3.216 1.00 1.00 H new ATOM 0 HG3 ARG A 34 5.281 2.189 3.259 1.00 1.00 H new ATOM 0 HD2 ARG A 34 5.382 2.057 0.651 1.00 1.00 H new ATOM 0 HD3 ARG A 34 7.112 1.839 0.833 1.00 1.00 H new ATOM 0 HE ARG A 34 5.098 -0.012 2.188 1.00 1.00 H new ATOM 0 HH11 ARG A 34 7.979 -0.252 2.944 1.00 1.00 H new ATOM 0 HH12 ARG A 34 8.566 -1.494 1.834 1.00 1.00 H new ATOM 0 HH21 ARG A 34 5.789 -1.127 -0.324 1.00 1.00 H new ATOM 0 HH22 ARG A 34 7.301 -1.999 -0.054 1.00 1.00 H new ATOM 520 N CYS A 35 3.026 2.807 2.762 1.00 1.00 N ATOM 521 CA CYS A 35 1.975 2.276 3.652 1.00 1.00 C ATOM 522 C CYS A 35 2.494 1.075 4.444 1.00 1.00 C ATOM 523 O CYS A 35 3.418 0.395 4.044 1.00 1.00 O ATOM 524 CB CYS A 35 0.803 1.802 2.846 1.00 1.00 C ATOM 525 SG CYS A 35 -0.233 2.943 1.912 1.00 1.00 S ATOM 0 H CYS A 35 3.346 2.133 2.066 1.00 1.00 H new ATOM 0 HA CYS A 35 1.683 3.080 4.327 1.00 1.00 H new ATOM 0 HB2 CYS A 35 1.185 1.070 2.135 1.00 1.00 H new ATOM 0 HB3 CYS A 35 0.145 1.268 3.531 1.00 1.00 H new ATOM 530 N TYR A 36 1.826 0.861 5.542 1.00 1.00 N ATOM 531 CA TYR A 36 2.153 -0.248 6.476 1.00 1.00 C ATOM 532 C TYR A 36 1.025 -1.289 6.394 1.00 1.00 C ATOM 533 O TYR A 36 0.119 -1.153 5.594 1.00 1.00 O ATOM 534 CB TYR A 36 2.259 0.288 7.909 1.00 1.00 C ATOM 535 CG TYR A 36 3.541 1.114 8.169 1.00 1.00 C ATOM 536 CD1 TYR A 36 4.773 0.499 8.095 1.00 1.00 C ATOM 537 CD2 TYR A 36 3.463 2.448 8.497 1.00 1.00 C ATOM 538 CE1 TYR A 36 5.915 1.215 8.352 1.00 1.00 C ATOM 539 CE2 TYR A 36 4.602 3.165 8.753 1.00 1.00 C ATOM 540 CZ TYR A 36 5.829 2.549 8.682 1.00 1.00 C ATOM 541 OH TYR A 36 6.971 3.273 8.961 1.00 1.00 O ATOM 0 H TYR A 36 1.036 1.433 5.840 1.00 1.00 H new ATOM 0 HA TYR A 36 3.107 -0.699 6.204 1.00 1.00 H new ATOM 0 HB2 TYR A 36 1.388 0.908 8.121 1.00 1.00 H new ATOM 0 HB3 TYR A 36 2.230 -0.551 8.605 1.00 1.00 H new ATOM 0 HD1 TYR A 36 4.839 -0.547 7.835 1.00 1.00 H new ATOM 0 HD2 TYR A 36 2.499 2.932 8.553 1.00 1.00 H new ATOM 0 HE1 TYR A 36 6.880 0.733 8.296 1.00 1.00 H new ATOM 0 HE2 TYR A 36 4.536 4.212 9.010 1.00 1.00 H new ATOM 0 HH TYR A 36 7.755 2.691 8.881 1.00 1.00 H new ATOM 551 N SER A 37 1.120 -2.297 7.224 1.00 1.00 N ATOM 552 CA SER A 37 0.093 -3.384 7.255 1.00 1.00 C ATOM 553 C SER A 37 -0.598 -3.379 8.629 1.00 1.00 C ATOM 554 O SER A 37 -1.814 -3.270 8.613 1.00 1.00 O ATOM 555 CB SER A 37 0.800 -4.733 7.005 1.00 1.00 C ATOM 556 OG SER A 37 -0.224 -5.708 7.034 1.00 1.00 O ATOM 557 OXT SER A 37 0.108 -3.484 9.612 1.00 1.00 O ATOM 0 H SER A 37 1.880 -2.415 7.894 1.00 1.00 H new ATOM 0 HA SER A 37 -0.661 -3.228 6.484 1.00 1.00 H new ATOM 0 HB2 SER A 37 1.315 -4.734 6.045 1.00 1.00 H new ATOM 0 HB3 SER A 37 1.551 -4.930 7.770 1.00 1.00 H new ATOM 0 HG SER A 37 0.164 -6.594 6.879 1.00 1.00 H new