USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 239 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 1 ALA N :NH3+ 138:sc= 0.00917 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -2.21! C(o=-2.2!,f=-3.6!) USER MOD Single : A 11 SER OG : rot -118:sc= -1.69 USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl -156:sc= -0.838 (180deg=-1.85!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.455 F(o=-1.1,f=0.46) USER MOD Single : A 36 ASN : amide:sc=-0.00164 K(o=-0.0016,f=-8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.374 4.625 6.274 1.00 1.00 N ATOM 2 CA ALA A 1 -12.684 4.536 4.961 1.00 1.00 C ATOM 3 C ALA A 1 -11.234 4.097 5.132 1.00 1.00 C ATOM 4 O ALA A 1 -10.556 4.514 6.070 1.00 1.00 O ATOM 5 CB ALA A 1 -12.748 5.875 4.241 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.964 5.481 6.299 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.975 3.787 6.408 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.667 4.669 7.035 1.00 1.00 H new ATOM 0 HA ALA A 1 -13.196 3.785 4.359 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -12.239 5.796 3.280 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.790 6.151 4.078 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -12.261 6.638 4.848 1.00 1.00 H new ATOM 13 N CYS A 2 -10.766 3.251 4.220 1.00 1.00 N ATOM 14 CA CYS A 2 -9.396 2.755 4.270 1.00 1.00 C ATOM 15 C CYS A 2 -8.832 2.570 2.866 1.00 1.00 C ATOM 16 O CYS A 2 -9.577 2.533 1.886 1.00 1.00 O ATOM 17 CB CYS A 2 -9.338 1.430 5.034 1.00 1.00 C ATOM 18 SG CYS A 2 -10.240 0.066 4.228 1.00 1.00 S ATOM 0 H CYS A 2 -11.315 2.895 3.438 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.788 3.494 4.791 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.295 1.139 5.157 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.746 1.581 6.033 1.00 1.00 H new ATOM 23 N VAL A 3 -7.512 2.450 2.776 1.00 1.00 N ATOM 24 CA VAL A 3 -6.846 2.265 1.493 1.00 1.00 C ATOM 25 C VAL A 3 -6.508 0.797 1.264 1.00 1.00 C ATOM 26 O VAL A 3 -6.156 0.080 2.201 1.00 1.00 O ATOM 27 CB VAL A 3 -5.553 3.097 1.403 1.00 1.00 C ATOM 28 CG1 VAL A 3 -5.878 4.570 1.206 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.700 2.893 2.646 1.00 1.00 C ATOM 0 H VAL A 3 -6.882 2.478 3.578 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.539 2.605 0.723 1.00 1.00 H new ATOM 0 HB VAL A 3 -4.983 2.756 0.539 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -4.952 5.142 1.145 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -6.445 4.697 0.284 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -6.470 4.928 2.048 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -3.791 3.488 2.565 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.261 3.205 3.527 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.437 1.839 2.738 1.00 1.00 H new ATOM 39 N GLY A 4 -6.620 0.352 0.017 1.00 1.00 N ATOM 40 CA GLY A 4 -6.323 -1.032 -0.299 1.00 1.00 C ATOM 41 C GLY A 4 -6.545 -1.367 -1.758 1.00 1.00 C ATOM 42 O GLY A 4 -7.049 -0.549 -2.528 1.00 1.00 O ATOM 0 H GLY A 4 -6.910 0.923 -0.777 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -5.286 -1.244 -0.037 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.946 -1.681 0.316 1.00 1.00 H new ATOM 46 N ASP A 5 -6.173 -2.584 -2.130 1.00 1.00 N ATOM 47 CA ASP A 5 -6.330 -3.055 -3.499 1.00 1.00 C ATOM 48 C ASP A 5 -5.606 -2.142 -4.488 1.00 1.00 C ATOM 49 O ASP A 5 -6.234 -1.361 -5.203 1.00 1.00 O ATOM 50 CB ASP A 5 -7.812 -3.142 -3.849 1.00 1.00 C ATOM 51 CG ASP A 5 -8.095 -4.167 -4.930 1.00 1.00 C ATOM 52 OD1 ASP A 5 -7.588 -3.994 -6.058 1.00 1.00 O ATOM 53 OD2 ASP A 5 -8.822 -5.142 -4.648 1.00 1.00 O ATOM 0 H ASP A 5 -5.757 -3.268 -1.497 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.882 -4.046 -3.572 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.379 -3.397 -2.954 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -8.162 -2.164 -4.180 1.00 1.00 H new ATOM 58 N GLY A 6 -4.281 -2.254 -4.526 1.00 1.00 N ATOM 59 CA GLY A 6 -3.487 -1.442 -5.432 1.00 1.00 C ATOM 60 C GLY A 6 -3.412 0.018 -5.018 1.00 1.00 C ATOM 61 O GLY A 6 -2.874 0.846 -5.753 1.00 1.00 O ATOM 0 H GLY A 6 -3.742 -2.895 -3.944 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.478 -1.850 -5.485 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.911 -1.507 -6.434 1.00 1.00 H new ATOM 65 N GLN A 7 -3.950 0.340 -3.845 1.00 1.00 N ATOM 66 CA GLN A 7 -3.935 1.714 -3.352 1.00 1.00 C ATOM 67 C GLN A 7 -2.525 2.143 -2.955 1.00 1.00 C ATOM 68 O GLN A 7 -1.918 1.556 -2.059 1.00 1.00 O ATOM 69 CB GLN A 7 -4.878 1.860 -2.157 1.00 1.00 C ATOM 70 CG GLN A 7 -5.539 3.226 -2.069 1.00 1.00 C ATOM 71 CD GLN A 7 -7.052 3.142 -2.011 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.642 2.113 -2.340 1.00 1.00 O ATOM 73 NE2 GLN A 7 -7.690 4.230 -1.592 1.00 1.00 N ATOM 0 H GLN A 7 -4.400 -0.329 -3.220 1.00 1.00 H new ATOM 0 HA GLN A 7 -4.276 2.362 -4.160 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.651 1.094 -2.219 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.320 1.676 -1.239 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -5.174 3.745 -1.183 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -5.245 3.823 -2.932 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -7.161 5.062 -1.329 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -8.708 4.233 -1.533 1.00 1.00 H new ATOM 82 N ARG A 8 -2.011 3.174 -3.619 1.00 1.00 N ATOM 83 CA ARG A 8 -0.676 3.680 -3.322 1.00 1.00 C ATOM 84 C ARG A 8 -0.653 4.373 -1.963 1.00 1.00 C ATOM 85 O ARG A 8 -1.218 5.455 -1.799 1.00 1.00 O ATOM 86 CB ARG A 8 -0.210 4.648 -4.414 1.00 1.00 C ATOM 87 CG ARG A 8 0.982 4.139 -5.208 1.00 1.00 C ATOM 88 CD ARG A 8 0.543 3.274 -6.378 1.00 1.00 C ATOM 89 NE ARG A 8 1.510 3.304 -7.474 1.00 1.00 N ATOM 90 CZ ARG A 8 2.705 2.721 -7.424 1.00 1.00 C ATOM 91 NH1 ARG A 8 3.084 2.061 -6.336 1.00 1.00 N ATOM 92 NH2 ARG A 8 3.523 2.797 -8.464 1.00 1.00 N ATOM 0 H ARG A 8 -2.497 3.674 -4.364 1.00 1.00 H new ATOM 0 HA ARG A 8 0.008 2.832 -3.292 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -1.038 4.837 -5.098 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.050 5.602 -3.956 1.00 1.00 H new ATOM 0 HG2 ARG A 8 1.563 4.984 -5.577 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.637 3.563 -4.554 1.00 1.00 H new ATOM 0 HD2 ARG A 8 0.410 2.246 -6.040 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -0.426 3.618 -6.740 1.00 1.00 H new ATOM 0 HE ARG A 8 1.254 3.801 -8.327 1.00 1.00 H new ATOM 0 HH11 ARG A 8 2.458 1.999 -5.533 1.00 1.00 H new ATOM 0 HH12 ARG A 8 4.001 1.616 -6.303 1.00 1.00 H new ATOM 0 HH21 ARG A 8 3.236 3.302 -9.302 1.00 1.00 H new ATOM 0 HH22 ARG A 8 4.439 2.350 -8.426 1.00 1.00 H new ATOM 106 N CYS A 9 0.003 3.746 -0.991 1.00 1.00 N ATOM 107 CA CYS A 9 0.101 4.305 0.355 1.00 1.00 C ATOM 108 C CYS A 9 0.555 5.762 0.308 1.00 1.00 C ATOM 109 O CYS A 9 1.426 6.124 -0.483 1.00 1.00 O ATOM 110 CB CYS A 9 1.073 3.481 1.203 1.00 1.00 C ATOM 111 SG CYS A 9 0.424 1.854 1.710 1.00 1.00 S ATOM 0 H CYS A 9 0.475 2.850 -1.110 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.889 4.267 0.810 1.00 1.00 H new ATOM 0 HB2 CYS A 9 1.994 3.333 0.640 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.333 4.051 2.095 1.00 1.00 H new ATOM 116 N ALA A 10 -0.044 6.594 1.158 1.00 1.00 N ATOM 117 CA ALA A 10 0.293 8.015 1.212 1.00 1.00 C ATOM 118 C ALA A 10 1.804 8.232 1.201 1.00 1.00 C ATOM 119 O ALA A 10 2.549 7.480 1.829 1.00 1.00 O ATOM 120 CB ALA A 10 -0.323 8.655 2.447 1.00 1.00 C ATOM 0 H ALA A 10 -0.766 6.308 1.819 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.118 8.490 0.321 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.065 9.714 2.476 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.407 8.547 2.410 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.061 8.164 3.341 1.00 1.00 H new ATOM 126 N SER A 11 2.240 9.272 0.487 1.00 1.00 N ATOM 127 CA SER A 11 3.655 9.621 0.377 1.00 1.00 C ATOM 128 C SER A 11 4.558 8.383 0.372 1.00 1.00 C ATOM 129 O SER A 11 4.859 7.833 -0.688 1.00 1.00 O ATOM 130 CB SER A 11 4.030 10.572 1.507 1.00 1.00 C ATOM 131 OG SER A 11 5.392 10.439 1.876 1.00 1.00 O ATOM 0 H SER A 11 1.620 9.895 -0.031 1.00 1.00 H new ATOM 0 HA SER A 11 3.811 10.118 -0.580 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.836 11.599 1.197 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.398 10.375 2.373 1.00 1.00 H new ATOM 0 HG SER A 11 5.451 10.141 2.808 1.00 1.00 H new ATOM 137 N TRP A 12 4.984 7.947 1.555 1.00 1.00 N ATOM 138 CA TRP A 12 5.846 6.774 1.672 1.00 1.00 C ATOM 139 C TRP A 12 5.264 5.764 2.658 1.00 1.00 C ATOM 140 O TRP A 12 5.373 4.554 2.457 1.00 1.00 O ATOM 141 CB TRP A 12 7.261 7.178 2.109 1.00 1.00 C ATOM 142 CG TRP A 12 7.331 8.512 2.793 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.739 8.862 3.972 1.00 1.00 C ATOM 144 CD2 TRP A 12 8.034 9.672 2.336 1.00 1.00 C ATOM 145 NE1 TRP A 12 7.031 10.170 4.276 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.825 10.689 3.288 1.00 1.00 C ATOM 147 CE3 TRP A 12 8.822 9.951 1.215 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.374 11.961 3.151 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.366 11.215 1.082 1.00 1.00 C ATOM 150 CH2 TRP A 12 9.141 12.206 2.045 1.00 1.00 C ATOM 0 H TRP A 12 4.747 8.387 2.444 1.00 1.00 H new ATOM 0 HA TRP A 12 5.903 6.306 0.689 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.654 6.415 2.781 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.910 7.196 1.233 1.00 1.00 H new ATOM 0 HD1 TRP A 12 6.130 8.207 4.577 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.709 10.673 5.103 1.00 1.00 H new ATOM 0 HE3 TRP A 12 9.002 9.193 0.467 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 8.200 12.727 3.892 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 9.975 11.442 0.220 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.582 13.183 1.912 1.00 1.00 H new ATOM 161 N SER A 13 4.645 6.266 3.723 1.00 1.00 N ATOM 162 CA SER A 13 4.047 5.405 4.738 1.00 1.00 C ATOM 163 C SER A 13 3.377 6.236 5.828 1.00 1.00 C ATOM 164 O SER A 13 3.861 6.303 6.959 1.00 1.00 O ATOM 165 CB SER A 13 5.110 4.493 5.355 1.00 1.00 C ATOM 166 OG SER A 13 6.313 5.201 5.596 1.00 1.00 O ATOM 0 H SER A 13 4.545 7.265 3.905 1.00 1.00 H new ATOM 0 HA SER A 13 3.287 4.790 4.256 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.737 4.075 6.290 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.306 3.654 4.687 1.00 1.00 H new ATOM 0 HG SER A 13 6.975 4.596 5.992 1.00 1.00 H new ATOM 172 N GLY A 14 2.262 6.871 5.480 1.00 1.00 N ATOM 173 CA GLY A 14 1.546 7.691 6.439 1.00 1.00 C ATOM 174 C GLY A 14 0.453 6.927 7.159 1.00 1.00 C ATOM 175 O GLY A 14 0.700 6.322 8.202 1.00 1.00 O ATOM 0 H GLY A 14 1.842 6.832 4.551 1.00 1.00 H new ATOM 0 HA2 GLY A 14 2.250 8.086 7.171 1.00 1.00 H new ATOM 0 HA3 GLY A 14 1.108 8.546 5.924 1.00 1.00 H new ATOM 179 N PRO A 15 -0.779 6.940 6.624 1.00 1.00 N ATOM 180 CA PRO A 15 -1.909 6.241 7.237 1.00 1.00 C ATOM 181 C PRO A 15 -1.797 4.726 7.103 1.00 1.00 C ATOM 182 O PRO A 15 -0.960 4.218 6.357 1.00 1.00 O ATOM 183 CB PRO A 15 -3.115 6.761 6.455 1.00 1.00 C ATOM 184 CG PRO A 15 -2.565 7.149 5.127 1.00 1.00 C ATOM 185 CD PRO A 15 -1.166 7.639 5.384 1.00 1.00 C ATOM 0 HA PRO A 15 -1.969 6.426 8.310 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.884 5.995 6.357 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.576 7.612 6.957 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.562 6.300 4.443 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.172 7.928 4.666 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.497 7.394 4.559 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.136 8.722 5.507 1.00 1.00 H new ATOM 193 N TYR A 16 -2.646 4.010 7.833 1.00 1.00 N ATOM 194 CA TYR A 16 -2.643 2.552 7.797 1.00 1.00 C ATOM 195 C TYR A 16 -3.342 2.037 6.543 1.00 1.00 C ATOM 196 O TYR A 16 -3.743 2.815 5.678 1.00 1.00 O ATOM 197 CB TYR A 16 -3.328 1.990 9.044 1.00 1.00 C ATOM 198 CG TYR A 16 -2.707 2.460 10.340 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.344 2.324 10.569 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.485 3.040 11.335 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.773 2.752 11.753 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.921 3.471 12.521 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.565 3.325 12.725 1.00 1.00 C ATOM 204 OH TYR A 16 -1.000 3.752 13.904 1.00 1.00 O ATOM 0 H TYR A 16 -3.344 4.415 8.456 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.606 2.216 7.777 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.380 2.276 9.030 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.293 0.901 9.008 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.720 1.877 9.810 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.547 3.156 11.179 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.289 2.638 11.916 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.539 3.920 13.284 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.695 4.133 14.481 1.00 1.00 H new ATOM 214 N CYS A 17 -3.484 0.718 6.452 1.00 1.00 N ATOM 215 CA CYS A 17 -4.134 0.094 5.305 1.00 1.00 C ATOM 216 C CYS A 17 -5.389 -0.655 5.732 1.00 1.00 C ATOM 217 O CYS A 17 -5.599 -0.914 6.917 1.00 1.00 O ATOM 218 CB CYS A 17 -3.168 -0.864 4.605 1.00 1.00 C ATOM 219 SG CYS A 17 -3.546 -1.148 2.845 1.00 1.00 S ATOM 0 H CYS A 17 -3.157 0.060 7.160 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.423 0.882 4.609 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.156 -0.468 4.689 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.180 -1.821 5.127 1.00 1.00 H new ATOM 224 N CYS A 18 -6.222 -1.002 4.756 1.00 1.00 N ATOM 225 CA CYS A 18 -7.458 -1.723 5.020 1.00 1.00 C ATOM 226 C CYS A 18 -7.192 -2.989 5.824 1.00 1.00 C ATOM 227 O CYS A 18 -6.061 -3.259 6.229 1.00 1.00 O ATOM 228 CB CYS A 18 -8.154 -2.076 3.703 1.00 1.00 C ATOM 229 SG CYS A 18 -8.918 -0.651 2.863 1.00 1.00 S ATOM 0 H CYS A 18 -6.060 -0.793 3.771 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.109 -1.076 5.608 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -7.428 -2.534 3.031 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -8.922 -2.824 3.899 1.00 1.00 H new ATOM 234 N ASP A 19 -8.245 -3.757 6.050 1.00 1.00 N ATOM 235 CA ASP A 19 -8.142 -4.998 6.810 1.00 1.00 C ATOM 236 C ASP A 19 -7.949 -6.194 5.883 1.00 1.00 C ATOM 237 O ASP A 19 -8.809 -6.497 5.056 1.00 1.00 O ATOM 238 CB ASP A 19 -9.392 -5.200 7.668 1.00 1.00 C ATOM 239 CG ASP A 19 -9.172 -6.203 8.783 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.462 -5.865 9.754 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.709 -7.326 8.687 1.00 1.00 O ATOM 0 H ASP A 19 -9.186 -3.544 5.718 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.270 -4.923 7.460 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.693 -4.244 8.097 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.213 -5.538 7.035 1.00 1.00 H new ATOM 246 N GLY A 20 -6.815 -6.873 6.030 1.00 1.00 N ATOM 247 CA GLY A 20 -6.530 -8.030 5.203 1.00 1.00 C ATOM 248 C GLY A 20 -5.413 -7.775 4.210 1.00 1.00 C ATOM 249 O GLY A 20 -4.690 -8.696 3.829 1.00 1.00 O ATOM 0 H GLY A 20 -6.089 -6.642 6.708 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.259 -8.871 5.842 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.432 -8.318 4.663 1.00 1.00 H new ATOM 253 N TYR A 21 -5.274 -6.523 3.788 1.00 1.00 N ATOM 254 CA TYR A 21 -4.238 -6.150 2.830 1.00 1.00 C ATOM 255 C TYR A 21 -3.017 -5.578 3.546 1.00 1.00 C ATOM 256 O TYR A 21 -3.063 -5.298 4.744 1.00 1.00 O ATOM 257 CB TYR A 21 -4.781 -5.124 1.828 1.00 1.00 C ATOM 258 CG TYR A 21 -6.133 -5.478 1.238 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.654 -6.764 1.339 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.889 -4.518 0.580 1.00 1.00 C ATOM 261 CE1 TYR A 21 -7.886 -7.080 0.800 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.123 -4.826 0.039 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.616 -6.107 0.152 1.00 1.00 C ATOM 264 OH TYR A 21 -9.844 -6.418 -0.386 1.00 1.00 O ATOM 0 H TYR A 21 -5.865 -5.750 4.093 1.00 1.00 H new ATOM 0 HA TYR A 21 -3.937 -7.049 2.292 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.857 -4.156 2.323 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.062 -5.012 1.016 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.085 -7.528 1.848 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.506 -3.512 0.489 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.275 -8.084 0.886 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.698 -4.066 -0.470 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.228 -5.621 -0.807 1.00 1.00 H new ATOM 274 N TYR A 22 -1.930 -5.398 2.801 1.00 1.00 N ATOM 275 CA TYR A 22 -0.698 -4.851 3.357 1.00 1.00 C ATOM 276 C TYR A 22 -0.140 -3.765 2.445 1.00 1.00 C ATOM 277 O TYR A 22 -0.671 -3.523 1.362 1.00 1.00 O ATOM 278 CB TYR A 22 0.346 -5.954 3.543 1.00 1.00 C ATOM 279 CG TYR A 22 -0.175 -7.174 4.270 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.976 -7.046 5.397 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.139 -8.454 3.830 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.451 -8.158 6.065 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.331 -9.571 4.492 1.00 1.00 C ATOM 284 CZ TYR A 22 -1.126 -9.418 5.609 1.00 1.00 C ATOM 285 OH TYR A 22 -1.596 -10.529 6.271 1.00 1.00 O ATOM 0 H TYR A 22 -1.878 -5.624 1.808 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.929 -4.416 4.330 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.718 -6.257 2.564 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.194 -5.549 4.095 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.232 -6.061 5.757 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.761 -8.577 2.956 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -2.074 -8.041 6.940 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.078 -10.559 4.137 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.276 -11.338 5.820 1.00 1.00 H new ATOM 295 N CYS A 23 0.933 -3.116 2.886 1.00 1.00 N ATOM 296 CA CYS A 23 1.561 -2.056 2.104 1.00 1.00 C ATOM 297 C CYS A 23 3.004 -2.412 1.760 1.00 1.00 C ATOM 298 O CYS A 23 3.863 -2.483 2.640 1.00 1.00 O ATOM 299 CB CYS A 23 1.520 -0.732 2.870 1.00 1.00 C ATOM 300 SG CYS A 23 2.088 0.706 1.903 1.00 1.00 S ATOM 0 H CYS A 23 1.386 -3.305 3.780 1.00 1.00 H new ATOM 0 HA CYS A 23 1.001 -1.948 1.175 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.499 -0.550 3.205 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.138 -0.822 3.763 1.00 1.00 H new ATOM 305 N SER A 24 3.264 -2.633 0.476 1.00 1.00 N ATOM 306 CA SER A 24 4.603 -2.980 0.015 1.00 1.00 C ATOM 307 C SER A 24 5.347 -1.740 -0.472 1.00 1.00 C ATOM 308 O SER A 24 4.734 -0.781 -0.942 1.00 1.00 O ATOM 309 CB SER A 24 4.527 -4.016 -1.108 1.00 1.00 C ATOM 310 OG SER A 24 4.554 -5.334 -0.587 1.00 1.00 O ATOM 0 H SER A 24 2.565 -2.578 -0.264 1.00 1.00 H new ATOM 0 HA SER A 24 5.151 -3.406 0.856 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.613 -3.867 -1.683 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.362 -3.875 -1.794 1.00 1.00 H new ATOM 0 HG SER A 24 4.503 -5.978 -1.324 1.00 1.00 H new ATOM 316 N CYS A 25 6.671 -1.766 -0.356 1.00 1.00 N ATOM 317 CA CYS A 25 7.498 -0.643 -0.783 1.00 1.00 C ATOM 318 C CYS A 25 8.595 -1.105 -1.739 1.00 1.00 C ATOM 319 O CYS A 25 9.783 -0.904 -1.483 1.00 1.00 O ATOM 320 CB CYS A 25 8.120 0.049 0.432 1.00 1.00 C ATOM 321 SG CYS A 25 6.904 0.780 1.575 1.00 1.00 S ATOM 0 H CYS A 25 7.194 -2.552 0.030 1.00 1.00 H new ATOM 0 HA CYS A 25 6.860 0.067 -1.310 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.726 -0.674 0.977 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.793 0.833 0.085 1.00 1.00 H new ATOM 326 N ARG A 26 8.189 -1.725 -2.842 1.00 1.00 N ATOM 327 CA ARG A 26 9.138 -2.214 -3.836 1.00 1.00 C ATOM 328 C ARG A 26 9.946 -1.063 -4.427 1.00 1.00 C ATOM 329 O ARG A 26 9.869 0.070 -3.952 1.00 1.00 O ATOM 330 CB ARG A 26 8.403 -2.966 -4.948 1.00 1.00 C ATOM 331 CG ARG A 26 9.039 -4.300 -5.304 1.00 1.00 C ATOM 332 CD ARG A 26 8.361 -4.938 -6.505 1.00 1.00 C ATOM 333 NE ARG A 26 7.015 -5.410 -6.188 1.00 1.00 N ATOM 334 CZ ARG A 26 6.244 -6.080 -7.041 1.00 1.00 C ATOM 335 NH1 ARG A 26 6.681 -6.360 -8.262 1.00 1.00 N ATOM 336 NH2 ARG A 26 5.032 -6.471 -6.672 1.00 1.00 N ATOM 0 H ARG A 26 7.210 -1.901 -3.070 1.00 1.00 H new ATOM 0 HA ARG A 26 9.826 -2.899 -3.341 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.371 -3.136 -4.640 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.371 -2.339 -5.839 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.098 -4.154 -5.518 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.976 -4.974 -4.449 1.00 1.00 H new ATOM 0 HD2 ARG A 26 8.309 -4.214 -7.319 1.00 1.00 H new ATOM 0 HD3 ARG A 26 8.964 -5.774 -6.860 1.00 1.00 H new ATOM 0 HE ARG A 26 6.644 -5.214 -5.258 1.00 1.00 H new ATOM 0 HH11 ARG A 26 7.612 -6.061 -8.551 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.086 -6.874 -8.911 1.00 1.00 H new ATOM 0 HH21 ARG A 26 4.691 -6.258 -5.735 1.00 1.00 H new ATOM 0 HH22 ARG A 26 4.441 -6.985 -7.326 1.00 1.00 H new ATOM 350 N SER A 27 10.721 -1.361 -5.465 1.00 1.00 N ATOM 351 CA SER A 27 11.544 -0.351 -6.119 1.00 1.00 C ATOM 352 C SER A 27 10.680 0.744 -6.737 1.00 1.00 C ATOM 353 O SER A 27 10.381 0.713 -7.931 1.00 1.00 O ATOM 354 CB SER A 27 12.417 -0.996 -7.197 1.00 1.00 C ATOM 355 OG SER A 27 13.638 -1.465 -6.651 1.00 1.00 O ATOM 0 H SER A 27 10.796 -2.294 -5.871 1.00 1.00 H new ATOM 0 HA SER A 27 12.185 0.103 -5.363 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.879 -1.824 -7.658 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.622 -0.271 -7.985 1.00 1.00 H new ATOM 0 HG SER A 27 14.177 -1.874 -7.359 1.00 1.00 H new ATOM 361 N MET A 28 10.282 1.710 -5.916 1.00 1.00 N ATOM 362 CA MET A 28 9.452 2.817 -6.381 1.00 1.00 C ATOM 363 C MET A 28 9.184 3.807 -5.249 1.00 1.00 C ATOM 364 O MET A 28 9.018 3.411 -4.095 1.00 1.00 O ATOM 365 CB MET A 28 8.129 2.290 -6.942 1.00 1.00 C ATOM 366 CG MET A 28 8.078 2.268 -8.461 1.00 1.00 C ATOM 367 SD MET A 28 7.153 3.657 -9.146 1.00 1.00 S ATOM 368 CE MET A 28 8.445 4.515 -10.041 1.00 1.00 C ATOM 0 H MET A 28 10.520 1.749 -4.925 1.00 1.00 H new ATOM 0 HA MET A 28 9.991 3.337 -7.173 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.961 1.281 -6.566 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.313 2.909 -6.568 1.00 1.00 H new ATOM 0 HG2 MET A 28 9.094 2.284 -8.855 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.622 1.335 -8.792 1.00 1.00 H new ATOM 0 HE1 MET A 28 8.174 5.565 -10.155 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.382 4.440 -9.489 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.567 4.063 -11.025 1.00 1.00 H new ATOM 378 N PRO A 29 9.138 5.114 -5.563 1.00 1.00 N ATOM 379 CA PRO A 29 8.891 6.158 -4.568 1.00 1.00 C ATOM 380 C PRO A 29 7.409 6.315 -4.239 1.00 1.00 C ATOM 381 O PRO A 29 6.859 7.414 -4.315 1.00 1.00 O ATOM 382 CB PRO A 29 9.421 7.413 -5.256 1.00 1.00 C ATOM 383 CG PRO A 29 9.192 7.166 -6.708 1.00 1.00 C ATOM 384 CD PRO A 29 9.329 5.679 -6.915 1.00 1.00 C ATOM 0 HA PRO A 29 9.366 5.937 -3.612 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.894 8.305 -4.917 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.478 7.567 -5.041 1.00 1.00 H new ATOM 0 HG2 PRO A 29 8.203 7.510 -7.009 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.917 7.711 -7.313 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.583 5.302 -7.615 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.307 5.420 -7.322 1.00 1.00 H new ATOM 392 N TYR A 30 6.766 5.210 -3.871 1.00 1.00 N ATOM 393 CA TYR A 30 5.348 5.225 -3.528 1.00 1.00 C ATOM 394 C TYR A 30 4.853 3.819 -3.208 1.00 1.00 C ATOM 395 O TYR A 30 4.409 3.090 -4.095 1.00 1.00 O ATOM 396 CB TYR A 30 4.523 5.816 -4.675 1.00 1.00 C ATOM 397 CG TYR A 30 3.488 6.824 -4.224 1.00 1.00 C ATOM 398 CD1 TYR A 30 2.430 6.446 -3.407 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.572 8.154 -4.616 1.00 1.00 C ATOM 400 CE1 TYR A 30 1.485 7.366 -2.994 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.631 9.079 -4.207 1.00 1.00 C ATOM 402 CZ TYR A 30 1.589 8.680 -3.396 1.00 1.00 C ATOM 403 OH TYR A 30 0.650 9.598 -2.987 1.00 1.00 O ATOM 0 H TYR A 30 7.206 4.292 -3.803 1.00 1.00 H new ATOM 0 HA TYR A 30 5.224 5.850 -2.643 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.197 6.294 -5.387 1.00 1.00 H new ATOM 0 HB3 TYR A 30 4.022 5.006 -5.205 1.00 1.00 H new ATOM 0 HD1 TYR A 30 2.345 5.417 -3.090 1.00 1.00 H new ATOM 0 HD2 TYR A 30 4.386 8.470 -5.251 1.00 1.00 H new ATOM 0 HE1 TYR A 30 0.668 7.056 -2.359 1.00 1.00 H new ATOM 0 HE2 TYR A 30 2.711 10.109 -4.521 1.00 1.00 H new ATOM 0 HH TYR A 30 0.870 10.478 -3.357 1.00 1.00 H new ATOM 413 N CYS A 31 4.927 3.443 -1.934 1.00 1.00 N ATOM 414 CA CYS A 31 4.488 2.140 -1.493 1.00 1.00 C ATOM 415 C CYS A 31 3.040 1.887 -1.901 1.00 1.00 C ATOM 416 O CYS A 31 2.214 2.799 -1.883 1.00 1.00 O ATOM 417 CB CYS A 31 4.636 2.061 0.019 1.00 1.00 C ATOM 418 SG CYS A 31 6.304 2.471 0.626 1.00 1.00 S ATOM 0 H CYS A 31 5.292 4.036 -1.189 1.00 1.00 H new ATOM 0 HA CYS A 31 5.102 1.373 -1.965 1.00 1.00 H new ATOM 0 HB2 CYS A 31 3.917 2.738 0.479 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.380 1.053 0.346 1.00 1.00 H new ATOM 423 N ARG A 32 2.738 0.649 -2.274 1.00 1.00 N ATOM 424 CA ARG A 32 1.387 0.289 -2.692 1.00 1.00 C ATOM 425 C ARG A 32 0.739 -0.664 -1.695 1.00 1.00 C ATOM 426 O ARG A 32 1.424 -1.405 -0.991 1.00 1.00 O ATOM 427 CB ARG A 32 1.394 -0.343 -4.090 1.00 1.00 C ATOM 428 CG ARG A 32 2.775 -0.757 -4.580 1.00 1.00 C ATOM 429 CD ARG A 32 2.756 -1.113 -6.058 1.00 1.00 C ATOM 430 NE ARG A 32 4.104 -1.236 -6.608 1.00 1.00 N ATOM 431 CZ ARG A 32 4.873 -2.311 -6.453 1.00 1.00 C ATOM 432 NH1 ARG A 32 4.433 -3.356 -5.764 1.00 1.00 N ATOM 433 NH2 ARG A 32 6.086 -2.341 -6.989 1.00 1.00 N ATOM 0 H ARG A 32 3.407 -0.121 -2.296 1.00 1.00 H new ATOM 0 HA ARG A 32 0.800 1.207 -2.726 1.00 1.00 H new ATOM 0 HB2 ARG A 32 0.745 -1.219 -4.084 1.00 1.00 H new ATOM 0 HB3 ARG A 32 0.966 0.366 -4.799 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.482 0.055 -4.409 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.126 -1.612 -4.003 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.220 -2.052 -6.198 1.00 1.00 H new ATOM 0 HD3 ARG A 32 2.208 -0.348 -6.608 1.00 1.00 H new ATOM 0 HE ARG A 32 4.478 -0.452 -7.142 1.00 1.00 H new ATOM 0 HH11 ARG A 32 3.501 -3.338 -5.350 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.027 -4.177 -5.648 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.429 -1.540 -7.520 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.676 -3.165 -6.870 1.00 1.00 H new ATOM 447 N CYS A 33 -0.588 -0.640 -1.647 1.00 1.00 N ATOM 448 CA CYS A 33 -1.336 -1.503 -0.743 1.00 1.00 C ATOM 449 C CYS A 33 -2.126 -2.544 -1.528 1.00 1.00 C ATOM 450 O CYS A 33 -2.905 -2.201 -2.416 1.00 1.00 O ATOM 451 CB CYS A 33 -2.282 -0.671 0.129 1.00 1.00 C ATOM 452 SG CYS A 33 -1.828 -0.636 1.893 1.00 1.00 S ATOM 0 H CYS A 33 -1.168 -0.031 -2.225 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.626 -2.019 -0.097 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -2.304 0.351 -0.250 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.292 -1.069 0.032 1.00 1.00 H new ATOM 457 N ARG A 34 -1.918 -3.816 -1.199 1.00 1.00 N ATOM 458 CA ARG A 34 -2.611 -4.903 -1.883 1.00 1.00 C ATOM 459 C ARG A 34 -2.892 -6.056 -0.926 1.00 1.00 C ATOM 460 O ARG A 34 -2.341 -6.111 0.170 1.00 1.00 O ATOM 461 CB ARG A 34 -1.783 -5.398 -3.070 1.00 1.00 C ATOM 462 CG ARG A 34 -2.618 -5.744 -4.292 1.00 1.00 C ATOM 463 CD ARG A 34 -1.755 -6.283 -5.422 1.00 1.00 C ATOM 464 NE ARG A 34 -2.368 -6.067 -6.730 1.00 1.00 N ATOM 465 CZ ARG A 34 -1.828 -6.470 -7.878 1.00 1.00 C ATOM 466 NH1 ARG A 34 -0.666 -7.111 -7.884 1.00 1.00 N ATOM 467 NH2 ARG A 34 -2.453 -6.233 -9.023 1.00 1.00 N ATOM 0 H ARG A 34 -1.277 -4.119 -0.465 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.563 -4.520 -2.250 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.058 -4.631 -3.341 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.217 -6.279 -2.766 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.370 -6.485 -4.022 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.152 -4.857 -4.632 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -0.779 -5.799 -5.395 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.586 -7.349 -5.272 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.263 -5.579 -6.766 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.182 -7.297 -7.006 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.257 -7.417 -8.767 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.347 -5.742 -9.024 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.040 -6.542 -9.903 1.00 1.00 H new ATOM 481 N ASN A 35 -3.754 -6.976 -1.350 1.00 1.00 N ATOM 482 CA ASN A 35 -4.115 -8.131 -0.529 1.00 1.00 C ATOM 483 C ASN A 35 -2.882 -8.781 0.095 1.00 1.00 C ATOM 484 O ASN A 35 -1.749 -8.474 -0.275 1.00 1.00 O ATOM 485 CB ASN A 35 -4.878 -9.158 -1.367 1.00 1.00 C ATOM 486 CG ASN A 35 -5.741 -10.071 -0.519 1.00 1.00 C ATOM 487 OD1 ASN A 35 -5.698 -11.366 -0.811 1.00 1.00 O flip ATOM 488 ND2 ASN A 35 -6.437 -9.618 0.389 1.00 1.00 N flip ATOM 0 H ASN A 35 -4.217 -6.945 -2.258 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.755 -7.777 0.279 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.506 -8.638 -2.090 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.168 -9.759 -1.935 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.439 -8.616 0.578 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.012 -10.245 0.952 1.00 1.00 H new ATOM 495 N ASN A 36 -3.116 -9.678 1.047 1.00 1.00 N ATOM 496 CA ASN A 36 -2.026 -10.371 1.731 1.00 1.00 C ATOM 497 C ASN A 36 -1.326 -11.350 0.795 1.00 1.00 C ATOM 498 O ASN A 36 -0.235 -11.074 0.296 1.00 1.00 O ATOM 499 CB ASN A 36 -2.540 -11.107 2.979 1.00 1.00 C ATOM 500 CG ASN A 36 -3.942 -11.665 2.813 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.258 -12.291 1.801 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.791 -11.439 3.809 1.00 1.00 N ATOM 0 H ASN A 36 -4.049 -9.943 1.363 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.303 -9.618 2.045 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.858 -11.923 3.218 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.527 -10.422 3.827 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.747 -11.789 3.753 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.487 -10.915 4.630 1.00 1.00 H new ATOM 509 N SER A 37 -1.957 -12.490 0.563 1.00 1.00 N ATOM 510 CA SER A 37 -1.396 -13.512 -0.313 1.00 1.00 C ATOM 511 C SER A 37 -2.024 -13.444 -1.701 1.00 1.00 C ATOM 512 O SER A 37 -3.269 -13.408 -1.786 1.00 1.00 O ATOM 513 CB SER A 37 -1.611 -14.902 0.288 1.00 1.00 C ATOM 514 OG SER A 37 -0.500 -15.745 0.034 1.00 1.00 O ATOM 0 H SER A 37 -2.860 -12.733 0.969 1.00 1.00 H new ATOM 0 HA SER A 37 -0.326 -13.326 -0.408 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.768 -14.816 1.363 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.513 -15.348 -0.132 1.00 1.00 H new ATOM 0 HG SER A 37 -0.661 -16.627 0.430 1.00 1.00 H new HETATM 520 N NH2 A 38 -1.264 -13.426 -2.693 1.00 1.00 N TER 521 NH2 A 38