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+ 148:sc= 0.00259 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.791 K(o=-0.79,f=-5.2!) USER MOD Single : A 11 SER OG : rot -114:sc= -1.43 USER MOD Single : A 13 SER OG : rot 57:sc= 0.286 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 163:sc= -0.0207 (180deg=-0.198) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 1.46 F(o=-0.49,f=1.5) USER MOD Single : A 36 ASN : amide:sc= -0.814 K(o=-0.81,f=-8.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.970 4.423 7.202 1.00 1.00 N ATOM 2 CA ALA A 1 -12.336 4.571 5.866 1.00 1.00 C ATOM 3 C ALA A 1 -10.946 3.946 5.849 1.00 1.00 C ATOM 4 O ALA A 1 -10.183 4.076 6.807 1.00 1.00 O ATOM 5 CB ALA A 1 -12.259 6.040 5.480 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.588 5.239 7.385 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.534 3.549 7.224 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.232 4.377 7.933 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.953 4.046 5.137 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -11.793 6.135 4.499 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.264 6.460 5.446 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.665 6.579 6.218 1.00 1.00 H new ATOM 13 N CYS A 2 -10.622 3.267 4.753 1.00 1.00 N ATOM 14 CA CYS A 2 -9.323 2.621 4.611 1.00 1.00 C ATOM 15 C CYS A 2 -8.868 2.626 3.156 1.00 1.00 C ATOM 16 O CYS A 2 -9.657 2.883 2.247 1.00 1.00 O ATOM 17 CB CYS A 2 -9.384 1.184 5.134 1.00 1.00 C ATOM 18 SG CYS A 2 -10.459 0.081 4.160 1.00 1.00 S ATOM 0 H CYS A 2 -11.241 3.150 3.951 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.600 3.184 5.200 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.375 0.771 5.148 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.736 1.199 6.165 1.00 1.00 H new ATOM 23 N VAL A 3 -7.589 2.339 2.946 1.00 1.00 N ATOM 24 CA VAL A 3 -7.021 2.308 1.604 1.00 1.00 C ATOM 25 C VAL A 3 -6.395 0.950 1.310 1.00 1.00 C ATOM 26 O VAL A 3 -5.901 0.277 2.214 1.00 1.00 O ATOM 27 CB VAL A 3 -5.955 3.405 1.418 1.00 1.00 C ATOM 28 CG1 VAL A 3 -6.610 4.771 1.285 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.964 3.390 2.573 1.00 1.00 C ATOM 0 H VAL A 3 -6.925 2.124 3.689 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.839 2.489 0.907 1.00 1.00 H new ATOM 0 HB VAL A 3 -5.408 3.200 0.498 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -5.841 5.532 1.154 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -7.274 4.774 0.420 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -7.186 4.988 2.185 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -4.219 4.172 2.424 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.494 3.568 3.509 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.469 2.420 2.615 1.00 1.00 H new ATOM 39 N GLY A 4 -6.419 0.549 0.043 1.00 1.00 N ATOM 40 CA GLY A 4 -5.849 -0.731 -0.332 1.00 1.00 C ATOM 41 C GLY A 4 -6.225 -1.155 -1.737 1.00 1.00 C ATOM 42 O GLY A 4 -6.591 -0.326 -2.570 1.00 1.00 O ATOM 0 H GLY A 4 -6.821 1.084 -0.727 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.763 -0.677 -0.253 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.183 -1.492 0.373 1.00 1.00 H new ATOM 46 N ASP A 5 -6.135 -2.455 -1.995 1.00 1.00 N ATOM 47 CA ASP A 5 -6.466 -3.007 -3.302 1.00 1.00 C ATOM 48 C ASP A 5 -5.646 -2.342 -4.407 1.00 1.00 C ATOM 49 O ASP A 5 -6.198 -1.758 -5.340 1.00 1.00 O ATOM 50 CB ASP A 5 -7.958 -2.836 -3.574 1.00 1.00 C ATOM 51 CG ASP A 5 -8.496 -3.877 -4.536 1.00 1.00 C ATOM 52 OD1 ASP A 5 -8.903 -4.962 -4.070 1.00 1.00 O ATOM 53 OD2 ASP A 5 -8.510 -3.607 -5.755 1.00 1.00 O ATOM 0 H ASP A 5 -5.834 -3.149 -1.311 1.00 1.00 H new ATOM 0 HA ASP A 5 -6.221 -4.069 -3.297 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.505 -2.898 -2.633 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -8.138 -1.841 -3.982 1.00 1.00 H new ATOM 58 N GLY A 6 -4.325 -2.438 -4.293 1.00 1.00 N ATOM 59 CA GLY A 6 -3.447 -1.845 -5.287 1.00 1.00 C ATOM 60 C GLY A 6 -3.254 -0.351 -5.093 1.00 1.00 C ATOM 61 O GLY A 6 -2.530 0.289 -5.855 1.00 1.00 O ATOM 0 H GLY A 6 -3.846 -2.916 -3.530 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.476 -2.339 -5.247 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.857 -2.027 -6.280 1.00 1.00 H new ATOM 65 N GLN A 7 -3.903 0.208 -4.075 1.00 1.00 N ATOM 66 CA GLN A 7 -3.796 1.635 -3.793 1.00 1.00 C ATOM 67 C GLN A 7 -2.410 1.992 -3.262 1.00 1.00 C ATOM 68 O GLN A 7 -1.915 1.368 -2.322 1.00 1.00 O ATOM 69 CB GLN A 7 -4.864 2.056 -2.782 1.00 1.00 C ATOM 70 CG GLN A 7 -4.865 3.546 -2.482 1.00 1.00 C ATOM 71 CD GLN A 7 -6.235 4.061 -2.087 1.00 1.00 C ATOM 72 OE1 GLN A 7 -6.994 3.376 -1.400 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.559 5.274 -2.520 1.00 1.00 N ATOM 0 H GLN A 7 -4.507 -0.305 -3.433 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.952 2.173 -4.728 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.845 1.770 -3.162 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.709 1.507 -1.853 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.158 3.751 -1.678 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.516 4.090 -3.360 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -5.899 5.806 -3.087 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.468 5.673 -2.286 1.00 1.00 H new ATOM 82 N ARG A 8 -1.792 3.003 -3.866 1.00 1.00 N ATOM 83 CA ARG A 8 -0.468 3.448 -3.446 1.00 1.00 C ATOM 84 C ARG A 8 -0.540 4.138 -2.087 1.00 1.00 C ATOM 85 O ARG A 8 -1.269 5.115 -1.918 1.00 1.00 O ATOM 86 CB ARG A 8 0.136 4.399 -4.485 1.00 1.00 C ATOM 87 CG ARG A 8 1.361 3.835 -5.187 1.00 1.00 C ATOM 88 CD ARG A 8 1.056 3.454 -6.627 1.00 1.00 C ATOM 89 NE ARG A 8 1.501 4.478 -7.569 1.00 1.00 N ATOM 90 CZ ARG A 8 1.071 4.567 -8.825 1.00 1.00 C ATOM 91 NH1 ARG A 8 0.187 3.696 -9.295 1.00 1.00 N ATOM 92 NH2 ARG A 8 1.527 5.531 -9.614 1.00 1.00 N ATOM 0 H ARG A 8 -2.186 3.528 -4.646 1.00 1.00 H new ATOM 0 HA ARG A 8 0.173 2.571 -3.360 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -0.622 4.638 -5.231 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.407 5.334 -3.995 1.00 1.00 H new ATOM 0 HG2 ARG A 8 2.164 4.572 -5.167 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.720 2.959 -4.647 1.00 1.00 H new ATOM 0 HD2 ARG A 8 1.543 2.508 -6.863 1.00 1.00 H new ATOM 0 HD3 ARG A 8 -0.017 3.297 -6.741 1.00 1.00 H new ATOM 0 HE ARG A 8 2.181 5.165 -7.245 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -0.167 2.953 -8.692 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -0.139 3.770 -10.259 1.00 1.00 H new ATOM 0 HH21 ARG A 8 2.207 6.203 -9.258 1.00 1.00 H new ATOM 0 HH22 ARG A 8 1.198 5.600 -10.577 1.00 1.00 H new ATOM 106 N CYS A 9 0.221 3.630 -1.123 1.00 1.00 N ATOM 107 CA CYS A 9 0.237 4.210 0.217 1.00 1.00 C ATOM 108 C CYS A 9 0.587 5.693 0.156 1.00 1.00 C ATOM 109 O CYS A 9 1.433 6.108 -0.635 1.00 1.00 O ATOM 110 CB CYS A 9 1.240 3.472 1.106 1.00 1.00 C ATOM 111 SG CYS A 9 0.575 1.967 1.889 1.00 1.00 S ATOM 0 H CYS A 9 0.832 2.822 -1.243 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.759 4.104 0.646 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.110 3.203 0.507 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.587 4.151 1.885 1.00 1.00 H new ATOM 116 N ALA A 10 -0.071 6.490 0.993 1.00 1.00 N ATOM 117 CA ALA A 10 0.169 7.930 1.030 1.00 1.00 C ATOM 118 C ALA A 10 1.660 8.239 1.114 1.00 1.00 C ATOM 119 O ALA A 10 2.414 7.507 1.754 1.00 1.00 O ATOM 120 CB ALA A 10 -0.569 8.559 2.202 1.00 1.00 C ATOM 0 H ALA A 10 -0.775 6.163 1.655 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.211 8.359 0.103 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.381 9.633 2.217 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.639 8.380 2.097 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -0.217 8.116 3.134 1.00 1.00 H new ATOM 126 N SER A 11 2.069 9.333 0.468 1.00 1.00 N ATOM 127 CA SER A 11 3.463 9.771 0.455 1.00 1.00 C ATOM 128 C SER A 11 4.438 8.588 0.448 1.00 1.00 C ATOM 129 O SER A 11 4.839 8.113 -0.615 1.00 1.00 O ATOM 130 CB SER A 11 3.716 10.687 1.645 1.00 1.00 C ATOM 131 OG SER A 11 5.060 10.614 2.089 1.00 1.00 O ATOM 0 H SER A 11 1.442 9.939 -0.060 1.00 1.00 H new ATOM 0 HA SER A 11 3.641 10.323 -0.468 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.480 11.715 1.369 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.048 10.414 2.462 1.00 1.00 H new ATOM 0 HG SER A 11 5.088 10.217 2.984 1.00 1.00 H new ATOM 137 N TRP A 12 4.813 8.115 1.634 1.00 1.00 N ATOM 138 CA TRP A 12 5.734 6.989 1.751 1.00 1.00 C ATOM 139 C TRP A 12 5.150 5.894 2.642 1.00 1.00 C ATOM 140 O TRP A 12 5.355 4.707 2.395 1.00 1.00 O ATOM 141 CB TRP A 12 7.090 7.448 2.305 1.00 1.00 C ATOM 142 CG TRP A 12 7.032 8.744 3.060 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.337 8.994 4.208 1.00 1.00 C ATOM 144 CD2 TRP A 12 7.695 9.966 2.717 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.528 10.297 4.600 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.358 10.914 3.701 1.00 1.00 C ATOM 147 CE3 TRP A 12 8.542 10.350 1.674 1.00 1.00 C ATOM 148 CZ2 TRP A 12 7.839 12.221 3.672 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.018 11.647 1.646 1.00 1.00 C ATOM 150 CH2 TRP A 12 8.666 12.569 2.639 1.00 1.00 C ATOM 0 H TRP A 12 4.494 8.494 2.526 1.00 1.00 H new ATOM 0 HA TRP A 12 5.884 6.580 0.752 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.484 6.673 2.963 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.793 7.552 1.478 1.00 1.00 H new ATOM 0 HD1 TRP A 12 5.726 8.273 4.731 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.119 10.734 5.426 1.00 1.00 H new ATOM 0 HE3 TRP A 12 8.820 9.646 0.904 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 7.569 12.934 4.437 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 9.673 11.955 0.844 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.055 13.575 2.589 1.00 1.00 H new ATOM 161 N SER A 13 4.422 6.300 3.679 1.00 1.00 N ATOM 162 CA SER A 13 3.810 5.352 4.603 1.00 1.00 C ATOM 163 C SER A 13 3.026 6.082 5.689 1.00 1.00 C ATOM 164 O SER A 13 3.437 6.118 6.850 1.00 1.00 O ATOM 165 CB SER A 13 4.880 4.462 5.240 1.00 1.00 C ATOM 166 OG SER A 13 5.892 5.240 5.855 1.00 1.00 O ATOM 0 H SER A 13 4.242 7.279 3.900 1.00 1.00 H new ATOM 0 HA SER A 13 3.119 4.727 4.038 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.420 3.808 5.981 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.323 3.820 4.479 1.00 1.00 H new ATOM 0 HG SER A 13 5.487 5.841 6.514 1.00 1.00 H new ATOM 172 N GLY A 14 1.896 6.667 5.304 1.00 1.00 N ATOM 173 CA GLY A 14 1.074 7.392 6.256 1.00 1.00 C ATOM 174 C GLY A 14 -0.099 6.576 6.757 1.00 1.00 C ATOM 175 O GLY A 14 0.000 5.913 7.789 1.00 1.00 O ATOM 0 H GLY A 14 1.535 6.652 4.350 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.689 7.695 7.104 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.703 8.304 5.789 1.00 1.00 H new ATOM 179 N PRO A 15 -1.237 6.610 6.045 1.00 1.00 N ATOM 180 CA PRO A 15 -2.433 5.868 6.443 1.00 1.00 C ATOM 181 C PRO A 15 -2.185 4.366 6.519 1.00 1.00 C ATOM 182 O PRO A 15 -1.157 3.871 6.057 1.00 1.00 O ATOM 183 CB PRO A 15 -3.450 6.183 5.340 1.00 1.00 C ATOM 184 CG PRO A 15 -2.946 7.424 4.687 1.00 1.00 C ATOM 185 CD PRO A 15 -1.450 7.378 4.807 1.00 1.00 C ATOM 0 HA PRO A 15 -2.768 6.156 7.439 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.522 5.363 4.625 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -4.447 6.333 5.755 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.252 7.467 3.642 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.349 8.312 5.174 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.992 6.891 3.947 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.020 8.377 4.874 1.00 1.00 H new ATOM 193 N TYR A 16 -3.137 3.645 7.101 1.00 1.00 N ATOM 194 CA TYR A 16 -3.028 2.198 7.233 1.00 1.00 C ATOM 195 C TYR A 16 -3.943 1.497 6.235 1.00 1.00 C ATOM 196 O TYR A 16 -5.016 2.001 5.904 1.00 1.00 O ATOM 197 CB TYR A 16 -3.379 1.762 8.657 1.00 1.00 C ATOM 198 CG TYR A 16 -2.811 2.666 9.728 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.447 2.688 9.994 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.638 3.497 10.473 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.924 3.513 10.972 1.00 1.00 C ATOM 202 CE2 TYR A 16 -3.122 4.325 11.453 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.766 4.329 11.698 1.00 1.00 C ATOM 204 OH TYR A 16 -1.249 5.152 12.672 1.00 1.00 O ATOM 0 H TYR A 16 -3.994 4.040 7.489 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.997 1.915 7.021 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.464 1.729 8.760 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.012 0.748 8.818 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.785 2.050 9.427 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.701 3.496 10.284 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.138 3.519 11.167 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.778 4.965 12.023 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.975 5.662 13.089 1.00 1.00 H new ATOM 214 N CYS A 17 -3.513 0.336 5.758 1.00 1.00 N ATOM 215 CA CYS A 17 -4.297 -0.430 4.796 1.00 1.00 C ATOM 216 C CYS A 17 -5.510 -1.065 5.467 1.00 1.00 C ATOM 217 O CYS A 17 -5.530 -1.256 6.683 1.00 1.00 O ATOM 218 CB CYS A 17 -3.431 -1.510 4.143 1.00 1.00 C ATOM 219 SG CYS A 17 -3.440 -1.470 2.321 1.00 1.00 S ATOM 0 H CYS A 17 -2.627 -0.096 6.021 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.650 0.254 4.024 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.405 -1.399 4.493 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.777 -2.489 4.476 1.00 1.00 H new ATOM 224 N CYS A 18 -6.520 -1.393 4.666 1.00 1.00 N ATOM 225 CA CYS A 18 -7.735 -2.009 5.178 1.00 1.00 C ATOM 226 C CYS A 18 -7.416 -3.256 5.991 1.00 1.00 C ATOM 227 O CYS A 18 -6.252 -3.592 6.210 1.00 1.00 O ATOM 228 CB CYS A 18 -8.673 -2.367 4.024 1.00 1.00 C ATOM 229 SG CYS A 18 -9.158 -0.948 2.989 1.00 1.00 S ATOM 0 H CYS A 18 -6.518 -1.241 3.657 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.228 -1.289 5.832 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.188 -3.113 3.394 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.572 -2.830 4.431 1.00 1.00 H new ATOM 234 N ASP A 19 -8.462 -3.935 6.434 1.00 1.00 N ATOM 235 CA ASP A 19 -8.310 -5.149 7.227 1.00 1.00 C ATOM 236 C ASP A 19 -8.070 -6.360 6.331 1.00 1.00 C ATOM 237 O ASP A 19 -8.992 -6.861 5.687 1.00 1.00 O ATOM 238 CB ASP A 19 -9.551 -5.378 8.091 1.00 1.00 C ATOM 239 CG ASP A 19 -9.246 -6.176 9.343 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.330 -5.777 10.093 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.921 -7.201 9.573 1.00 1.00 O ATOM 0 H ASP A 19 -9.430 -3.666 6.258 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.443 -5.022 7.875 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.977 -4.415 8.372 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.306 -5.902 7.505 1.00 1.00 H new ATOM 246 N GLY A 20 -6.826 -6.827 6.296 1.00 1.00 N ATOM 247 CA GLY A 20 -6.488 -7.977 5.477 1.00 1.00 C ATOM 248 C GLY A 20 -5.418 -7.667 4.448 1.00 1.00 C ATOM 249 O GLY A 20 -4.690 -8.559 4.013 1.00 1.00 O ATOM 0 H GLY A 20 -6.046 -6.430 6.820 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.145 -8.788 6.120 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.384 -8.332 4.968 1.00 1.00 H new ATOM 253 N TYR A 21 -5.323 -6.401 4.055 1.00 1.00 N ATOM 254 CA TYR A 21 -4.335 -5.981 3.068 1.00 1.00 C ATOM 255 C TYR A 21 -3.074 -5.453 3.748 1.00 1.00 C ATOM 256 O TYR A 21 -3.048 -5.258 4.963 1.00 1.00 O ATOM 257 CB TYR A 21 -4.923 -4.906 2.148 1.00 1.00 C ATOM 258 CG TYR A 21 -6.290 -5.248 1.585 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.791 -6.545 1.640 1.00 1.00 C ATOM 260 CD2 TYR A 21 -7.079 -4.268 0.997 1.00 1.00 C ATOM 261 CE1 TYR A 21 -8.036 -6.853 1.126 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.326 -4.569 0.480 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.799 -5.862 0.547 1.00 1.00 C ATOM 264 OH TYR A 21 -10.039 -6.164 0.034 1.00 1.00 O ATOM 0 H TYR A 21 -5.917 -5.649 4.404 1.00 1.00 H new ATOM 0 HA TYR A 21 -4.065 -6.851 2.470 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.994 -3.970 2.701 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.234 -4.735 1.321 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.196 -7.325 2.092 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.713 -3.254 0.943 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.409 -7.865 1.178 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.926 -3.795 0.026 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.446 -5.353 -0.337 1.00 1.00 H new ATOM 274 N TYR A 22 -2.032 -5.224 2.955 1.00 1.00 N ATOM 275 CA TYR A 22 -0.766 -4.720 3.472 1.00 1.00 C ATOM 276 C TYR A 22 -0.212 -3.625 2.567 1.00 1.00 C ATOM 277 O TYR A 22 -0.815 -3.281 1.549 1.00 1.00 O ATOM 278 CB TYR A 22 0.256 -5.854 3.588 1.00 1.00 C ATOM 279 CG TYR A 22 -0.198 -7.004 4.461 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.886 -6.773 5.646 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.067 -8.319 4.101 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.297 -7.821 6.447 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.341 -9.372 4.897 1.00 1.00 C ATOM 284 CZ TYR A 22 -1.022 -9.118 6.068 1.00 1.00 C ATOM 285 OH TYR A 22 -1.430 -10.164 6.864 1.00 1.00 O ATOM 0 H TYR A 22 -2.041 -5.381 1.947 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.950 -4.302 4.462 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.477 -6.234 2.590 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.186 -5.452 3.989 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.103 -5.758 5.946 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.601 -8.522 3.184 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.831 -7.625 7.365 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.127 -10.389 4.603 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.159 -11.012 6.454 1.00 1.00 H new ATOM 295 N CYS A 23 0.944 -3.086 2.943 1.00 1.00 N ATOM 296 CA CYS A 23 1.585 -2.033 2.164 1.00 1.00 C ATOM 297 C CYS A 23 3.025 -2.406 1.824 1.00 1.00 C ATOM 298 O CYS A 23 3.872 -2.521 2.710 1.00 1.00 O ATOM 299 CB CYS A 23 1.558 -0.710 2.933 1.00 1.00 C ATOM 300 SG CYS A 23 2.173 0.717 1.980 1.00 1.00 S ATOM 0 H CYS A 23 1.455 -3.361 3.782 1.00 1.00 H new ATOM 0 HA CYS A 23 1.029 -1.916 1.234 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.535 -0.508 3.251 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.158 -0.815 3.837 1.00 1.00 H new ATOM 305 N SER A 24 3.296 -2.586 0.536 1.00 1.00 N ATOM 306 CA SER A 24 4.633 -2.937 0.076 1.00 1.00 C ATOM 307 C SER A 24 5.364 -1.699 -0.428 1.00 1.00 C ATOM 308 O SER A 24 4.760 -0.640 -0.598 1.00 1.00 O ATOM 309 CB SER A 24 4.555 -3.990 -1.032 1.00 1.00 C ATOM 310 OG SER A 24 4.746 -5.294 -0.511 1.00 1.00 O ATOM 0 H SER A 24 2.605 -2.494 -0.209 1.00 1.00 H new ATOM 0 HA SER A 24 5.189 -3.353 0.916 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.585 -3.931 -1.526 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.312 -3.783 -1.789 1.00 1.00 H new ATOM 0 HG SER A 24 4.690 -5.948 -1.238 1.00 1.00 H new ATOM 316 N CYS A 25 6.664 -1.832 -0.662 1.00 1.00 N ATOM 317 CA CYS A 25 7.464 -0.713 -1.143 1.00 1.00 C ATOM 318 C CYS A 25 8.608 -1.194 -2.029 1.00 1.00 C ATOM 319 O CYS A 25 9.781 -1.063 -1.675 1.00 1.00 O ATOM 320 CB CYS A 25 8.012 0.088 0.040 1.00 1.00 C ATOM 321 SG CYS A 25 6.735 0.625 1.225 1.00 1.00 S ATOM 0 H CYS A 25 7.184 -2.699 -0.527 1.00 1.00 H new ATOM 0 HA CYS A 25 6.821 -0.069 -1.743 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.749 -0.518 0.566 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.534 0.967 -0.339 1.00 1.00 H new ATOM 326 N ARG A 26 8.259 -1.746 -3.186 1.00 1.00 N ATOM 327 CA ARG A 26 9.254 -2.242 -4.129 1.00 1.00 C ATOM 328 C ARG A 26 10.157 -1.106 -4.602 1.00 1.00 C ATOM 329 O ARG A 26 10.214 -0.048 -3.976 1.00 1.00 O ATOM 330 CB ARG A 26 8.563 -2.905 -5.325 1.00 1.00 C ATOM 331 CG ARG A 26 9.110 -4.284 -5.654 1.00 1.00 C ATOM 332 CD ARG A 26 9.027 -4.575 -7.144 1.00 1.00 C ATOM 333 NE ARG A 26 7.678 -4.373 -7.666 1.00 1.00 N ATOM 334 CZ ARG A 26 7.242 -4.890 -8.813 1.00 1.00 C ATOM 335 NH1 ARG A 26 8.045 -5.637 -9.560 1.00 1.00 N ATOM 336 NH2 ARG A 26 6.000 -4.659 -9.214 1.00 1.00 N ATOM 0 H ARG A 26 7.293 -1.861 -3.493 1.00 1.00 H new ATOM 0 HA ARG A 26 9.871 -2.985 -3.624 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.496 -2.986 -5.119 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.671 -2.262 -6.199 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.147 -4.353 -5.326 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.550 -5.040 -5.103 1.00 1.00 H new ATOM 0 HD2 ARG A 26 9.723 -3.929 -7.679 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.338 -5.603 -7.331 1.00 1.00 H new ATOM 0 HE ARG A 26 7.032 -3.803 -7.120 1.00 1.00 H new ATOM 0 HH11 ARG A 26 9.002 -5.818 -9.256 1.00 1.00 H new ATOM 0 HH12 ARG A 26 7.705 -6.030 -10.438 1.00 1.00 H new ATOM 0 HH21 ARG A 26 5.378 -4.085 -8.644 1.00 1.00 H new ATOM 0 HH22 ARG A 26 5.666 -5.055 -10.093 1.00 1.00 H new ATOM 350 N SER A 27 10.862 -1.334 -5.706 1.00 1.00 N ATOM 351 CA SER A 27 11.761 -0.331 -6.260 1.00 1.00 C ATOM 352 C SER A 27 10.982 0.873 -6.787 1.00 1.00 C ATOM 353 O SER A 27 10.949 1.126 -7.992 1.00 1.00 O ATOM 354 CB SER A 27 12.607 -0.939 -7.381 1.00 1.00 C ATOM 355 OG SER A 27 13.481 -1.935 -6.879 1.00 1.00 O ATOM 0 H SER A 27 10.827 -2.206 -6.234 1.00 1.00 H new ATOM 0 HA SER A 27 12.419 0.010 -5.461 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.954 -1.372 -8.139 1.00 1.00 H new ATOM 0 HB3 SER A 27 13.186 -0.155 -7.869 1.00 1.00 H new ATOM 0 HG SER A 27 14.009 -2.309 -7.615 1.00 1.00 H new ATOM 361 N MET A 28 10.356 1.610 -5.876 1.00 1.00 N ATOM 362 CA MET A 28 9.577 2.787 -6.243 1.00 1.00 C ATOM 363 C MET A 28 9.387 3.708 -5.037 1.00 1.00 C ATOM 364 O MET A 28 9.081 3.244 -3.939 1.00 1.00 O ATOM 365 CB MET A 28 8.214 2.368 -6.800 1.00 1.00 C ATOM 366 CG MET A 28 8.159 2.335 -8.319 1.00 1.00 C ATOM 367 SD MET A 28 8.521 3.937 -9.063 1.00 1.00 S ATOM 368 CE MET A 28 10.065 3.581 -9.898 1.00 1.00 C ATOM 0 H MET A 28 10.373 1.412 -4.875 1.00 1.00 H new ATOM 0 HA MET A 28 10.124 3.332 -7.013 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.962 1.380 -6.414 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.454 3.057 -6.433 1.00 1.00 H new ATOM 0 HG2 MET A 28 8.872 1.598 -8.688 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.169 2.007 -8.636 1.00 1.00 H new ATOM 0 HE1 MET A 28 10.265 4.355 -10.639 1.00 1.00 H new ATOM 0 HE2 MET A 28 10.876 3.558 -9.170 1.00 1.00 H new ATOM 0 HE3 MET A 28 9.995 2.613 -10.394 1.00 1.00 H new ATOM 378 N PRO A 29 9.568 5.029 -5.222 1.00 1.00 N ATOM 379 CA PRO A 29 9.414 6.004 -4.135 1.00 1.00 C ATOM 380 C PRO A 29 8.041 5.927 -3.474 1.00 1.00 C ATOM 381 O PRO A 29 7.895 6.231 -2.290 1.00 1.00 O ATOM 382 CB PRO A 29 9.594 7.356 -4.833 1.00 1.00 C ATOM 383 CG PRO A 29 10.366 7.051 -6.069 1.00 1.00 C ATOM 384 CD PRO A 29 9.936 5.676 -6.495 1.00 1.00 C ATOM 0 HA PRO A 29 10.128 5.827 -3.331 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.631 7.809 -5.070 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.130 8.061 -4.197 1.00 1.00 H new ATOM 0 HG2 PRO A 29 10.160 7.784 -6.849 1.00 1.00 H new ATOM 0 HG3 PRO A 29 11.439 7.083 -5.877 1.00 1.00 H new ATOM 0 HD2 PRO A 29 9.094 5.713 -7.186 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.740 5.141 -7.001 1.00 1.00 H new ATOM 392 N TYR A 30 7.037 5.525 -4.247 1.00 1.00 N ATOM 393 CA TYR A 30 5.676 5.415 -3.733 1.00 1.00 C ATOM 394 C TYR A 30 5.356 3.980 -3.327 1.00 1.00 C ATOM 395 O TYR A 30 5.391 3.069 -4.153 1.00 1.00 O ATOM 396 CB TYR A 30 4.670 5.893 -4.786 1.00 1.00 C ATOM 397 CG TYR A 30 3.718 6.962 -4.291 1.00 1.00 C ATOM 398 CD1 TYR A 30 3.327 7.017 -2.958 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.211 7.918 -5.162 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.459 7.995 -2.509 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.343 8.898 -4.720 1.00 1.00 C ATOM 402 CZ TYR A 30 1.971 8.932 -3.394 1.00 1.00 C ATOM 403 OH TYR A 30 1.106 9.907 -2.950 1.00 1.00 O ATOM 0 H TYR A 30 7.140 5.271 -5.229 1.00 1.00 H new ATOM 0 HA TYR A 30 5.600 6.048 -2.849 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.217 6.279 -5.647 1.00 1.00 H new ATOM 0 HB3 TYR A 30 4.090 5.038 -5.134 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.707 6.284 -2.262 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.500 7.895 -6.202 1.00 1.00 H new ATOM 0 HE1 TYR A 30 2.165 8.025 -1.470 1.00 1.00 H new ATOM 0 HE2 TYR A 30 1.958 9.634 -5.411 1.00 1.00 H new ATOM 0 HH TYR A 30 0.857 10.489 -3.698 1.00 1.00 H new ATOM 413 N CYS A 31 5.035 3.787 -2.051 1.00 1.00 N ATOM 414 CA CYS A 31 4.701 2.479 -1.537 1.00 1.00 C ATOM 415 C CYS A 31 3.331 2.042 -2.051 1.00 1.00 C ATOM 416 O CYS A 31 2.472 2.879 -2.331 1.00 1.00 O ATOM 417 CB CYS A 31 4.712 2.529 -0.014 1.00 1.00 C ATOM 418 SG CYS A 31 6.383 2.558 0.717 1.00 1.00 S ATOM 0 H CYS A 31 5.001 4.532 -1.355 1.00 1.00 H new ATOM 0 HA CYS A 31 5.436 1.751 -1.880 1.00 1.00 H new ATOM 0 HB2 CYS A 31 4.168 3.415 0.314 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.173 1.663 0.371 1.00 1.00 H new ATOM 423 N ARG A 32 3.132 0.736 -2.187 1.00 1.00 N ATOM 424 CA ARG A 32 1.865 0.210 -2.685 1.00 1.00 C ATOM 425 C ARG A 32 1.095 -0.510 -1.585 1.00 1.00 C ATOM 426 O ARG A 32 1.681 -1.004 -0.626 1.00 1.00 O ATOM 427 CB ARG A 32 2.104 -0.746 -3.861 1.00 1.00 C ATOM 428 CG ARG A 32 3.505 -0.667 -4.452 1.00 1.00 C ATOM 429 CD ARG A 32 3.518 -1.071 -5.916 1.00 1.00 C ATOM 430 NE ARG A 32 4.196 -2.348 -6.126 1.00 1.00 N ATOM 431 CZ ARG A 32 3.635 -3.533 -5.893 1.00 1.00 C ATOM 432 NH1 ARG A 32 2.387 -3.609 -5.447 1.00 1.00 N ATOM 433 NH2 ARG A 32 4.323 -4.646 -6.108 1.00 1.00 N ATOM 0 H ARG A 32 3.827 0.025 -1.961 1.00 1.00 H new ATOM 0 HA ARG A 32 1.268 1.056 -3.026 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.919 -1.767 -3.528 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.378 -0.529 -4.645 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.886 0.349 -4.351 1.00 1.00 H new ATOM 0 HG3 ARG A 32 4.175 -1.316 -3.889 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.494 -1.140 -6.282 1.00 1.00 H new ATOM 0 HD3 ARG A 32 4.014 -0.297 -6.501 1.00 1.00 H new ATOM 0 HE ARG A 32 5.156 -2.331 -6.471 1.00 1.00 H new ATOM 0 HH11 ARG A 32 1.852 -2.757 -5.281 1.00 1.00 H new ATOM 0 HH12 ARG A 32 1.963 -4.520 -5.271 1.00 1.00 H new ATOM 0 HH21 ARG A 32 5.282 -4.594 -6.452 1.00 1.00 H new ATOM 0 HH22 ARG A 32 3.893 -5.554 -5.930 1.00 1.00 H new ATOM 447 N CYS A 33 -0.223 -0.571 -1.739 1.00 1.00 N ATOM 448 CA CYS A 33 -1.080 -1.241 -0.769 1.00 1.00 C ATOM 449 C CYS A 33 -2.038 -2.190 -1.483 1.00 1.00 C ATOM 450 O CYS A 33 -2.728 -1.792 -2.421 1.00 1.00 O ATOM 451 CB CYS A 33 -1.863 -0.213 0.051 1.00 1.00 C ATOM 452 SG CYS A 33 -1.746 -0.455 1.853 1.00 1.00 S ATOM 0 H CYS A 33 -0.722 -0.163 -2.529 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.454 -1.820 -0.090 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.500 0.785 -0.195 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.912 -0.252 -0.243 1.00 1.00 H new ATOM 457 N ARG A 34 -2.069 -3.447 -1.048 1.00 1.00 N ATOM 458 CA ARG A 34 -2.939 -4.442 -1.669 1.00 1.00 C ATOM 459 C ARG A 34 -3.130 -5.649 -0.760 1.00 1.00 C ATOM 460 O ARG A 34 -2.500 -5.751 0.288 1.00 1.00 O ATOM 461 CB ARG A 34 -2.353 -4.889 -3.011 1.00 1.00 C ATOM 462 CG ARG A 34 -3.393 -5.405 -3.991 1.00 1.00 C ATOM 463 CD ARG A 34 -2.924 -5.262 -5.430 1.00 1.00 C ATOM 464 NE ARG A 34 -4.018 -5.436 -6.382 1.00 1.00 N ATOM 465 CZ ARG A 34 -3.842 -5.628 -7.688 1.00 1.00 C ATOM 466 NH1 ARG A 34 -2.618 -5.670 -8.200 1.00 1.00 N ATOM 467 NH2 ARG A 34 -4.892 -5.779 -8.483 1.00 1.00 N ATOM 0 H ARG A 34 -1.506 -3.799 -0.274 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.913 -3.982 -1.835 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.825 -4.050 -3.464 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.615 -5.671 -2.833 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.605 -6.453 -3.779 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -4.325 -4.857 -3.855 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.475 -4.278 -5.569 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.146 -5.998 -5.633 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.973 -5.409 -6.025 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.807 -5.555 -7.592 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.489 -5.817 -9.201 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -5.835 -5.748 -8.094 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -4.757 -5.926 -9.483 1.00 1.00 H new ATOM 481 N ASN A 35 -4.008 -6.561 -1.172 1.00 1.00 N ATOM 482 CA ASN A 35 -4.294 -7.768 -0.398 1.00 1.00 C ATOM 483 C ASN A 35 -3.018 -8.402 0.152 1.00 1.00 C ATOM 484 O ASN A 35 -1.912 -8.070 -0.275 1.00 1.00 O ATOM 485 CB ASN A 35 -5.047 -8.782 -1.260 1.00 1.00 C ATOM 486 CG ASN A 35 -5.804 -9.799 -0.428 1.00 1.00 C ATOM 487 OD1 ASN A 35 -5.624 -11.076 -0.746 1.00 1.00 O flip ATOM 488 ND2 ASN A 35 -6.542 -9.441 0.490 1.00 1.00 N flip ATOM 0 H ASN A 35 -4.536 -6.487 -2.041 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.916 -7.476 0.448 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.746 -8.255 -1.909 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.340 -9.300 -1.908 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.651 -8.449 0.700 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.045 -10.137 1.041 1.00 1.00 H new ATOM 495 N ASN A 36 -3.183 -9.312 1.106 1.00 1.00 N ATOM 496 CA ASN A 36 -2.046 -9.991 1.722 1.00 1.00 C ATOM 497 C ASN A 36 -1.379 -10.946 0.739 1.00 1.00 C ATOM 498 O ASN A 36 -0.321 -10.646 0.186 1.00 1.00 O ATOM 499 CB ASN A 36 -2.478 -10.750 2.987 1.00 1.00 C ATOM 500 CG ASN A 36 -3.879 -11.328 2.892 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.260 -11.898 1.870 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.654 -11.181 3.960 1.00 1.00 N ATOM 0 H ASN A 36 -4.092 -9.597 1.470 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.322 -9.228 2.006 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.771 -11.558 3.177 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.428 -10.076 3.842 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.606 -11.548 3.954 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.298 -10.701 4.787 1.00 1.00 H new ATOM 509 N SER A 37 -2.003 -12.094 0.526 1.00 1.00 N ATOM 510 CA SER A 37 -1.473 -13.097 -0.391 1.00 1.00 C ATOM 511 C SER A 37 -2.347 -13.213 -1.636 1.00 1.00 C ATOM 512 O SER A 37 -3.568 -13.431 -1.483 1.00 1.00 O ATOM 513 CB SER A 37 -1.376 -14.455 0.306 1.00 1.00 C ATOM 514 OG SER A 37 -0.218 -15.159 -0.107 1.00 1.00 O ATOM 0 H SER A 37 -2.880 -12.357 0.976 1.00 1.00 H new ATOM 0 HA SER A 37 -0.476 -12.781 -0.697 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.352 -14.312 1.386 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.264 -15.046 0.082 1.00 1.00 H new ATOM 0 HG SER A 37 -0.178 -16.023 0.354 1.00 1.00 H new HETATM 520 N NH2 A 38 -1.804 -13.084 -2.753 1.00 1.00 N TER 521 NH2 A 38