USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=11 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 Set 1.1: A 35 ASN : amide:sc= -0.728 K(o=-1.9,f=0.13) USER MOD Set 1.2: A 36 ASN : amide:sc= -1.17 K(o=-1.9,f=-7.8!) USER MOD Single : A 1 ALA N :NH3+ 135:sc= 0.0322 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.273 K(o=-0.27,f=-2) USER MOD Single : A 11 SER OG : rot -124:sc= -2.51 USER MOD Single : A 13 SER OG : rot 56:sc= 0.0678 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 -175:sc= -0.292 (180deg=-0.338) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.686 5.115 7.082 1.00 1.00 N ATOM 2 CA ALA A 1 -12.313 4.802 5.678 1.00 1.00 C ATOM 3 C ALA A 1 -10.900 4.234 5.601 1.00 1.00 C ATOM 4 O ALA A 1 -10.035 4.584 6.404 1.00 1.00 O ATOM 5 CB ALA A 1 -12.428 6.048 4.812 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.141 6.049 7.120 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.347 4.393 7.435 1.00 1.00 H new ATOM 0 H3 ALA A 1 -11.832 5.121 7.675 1.00 1.00 H new ATOM 0 HA ALA A 1 -13.003 4.046 5.304 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -12.152 5.805 3.786 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.455 6.413 4.835 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.760 6.820 5.194 1.00 1.00 H new ATOM 13 N CYS A 2 -10.672 3.356 4.630 1.00 1.00 N ATOM 14 CA CYS A 2 -9.363 2.740 4.449 1.00 1.00 C ATOM 15 C CYS A 2 -9.022 2.611 2.968 1.00 1.00 C ATOM 16 O CYS A 2 -9.894 2.730 2.106 1.00 1.00 O ATOM 17 CB CYS A 2 -9.326 1.364 5.117 1.00 1.00 C ATOM 18 SG CYS A 2 -10.420 0.129 4.345 1.00 1.00 S ATOM 0 H CYS A 2 -11.377 3.055 3.957 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.619 3.383 4.919 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.302 0.990 5.096 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.604 1.474 6.165 1.00 1.00 H new ATOM 23 N VAL A 3 -7.749 2.367 2.681 1.00 1.00 N ATOM 24 CA VAL A 3 -7.288 2.221 1.306 1.00 1.00 C ATOM 25 C VAL A 3 -6.629 0.863 1.090 1.00 1.00 C ATOM 26 O VAL A 3 -6.250 0.189 2.047 1.00 1.00 O ATOM 27 CB VAL A 3 -6.288 3.331 0.928 1.00 1.00 C ATOM 28 CG1 VAL A 3 -7.000 4.668 0.790 1.00 1.00 C ATOM 29 CG2 VAL A 3 -5.172 3.417 1.958 1.00 1.00 C ATOM 0 H VAL A 3 -7.016 2.266 3.384 1.00 1.00 H new ATOM 0 HA VAL A 3 -8.167 2.302 0.666 1.00 1.00 H new ATOM 0 HB VAL A 3 -5.844 3.082 -0.036 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -6.277 5.439 0.523 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -7.760 4.597 0.011 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -7.474 4.927 1.737 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -4.475 4.206 1.675 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.596 3.642 2.936 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.643 2.465 2.002 1.00 1.00 H new ATOM 39 N GLY A 4 -6.495 0.466 -0.172 1.00 1.00 N ATOM 40 CA GLY A 4 -5.882 -0.811 -0.483 1.00 1.00 C ATOM 41 C GLY A 4 -6.206 -1.294 -1.882 1.00 1.00 C ATOM 42 O GLY A 4 -6.582 -0.505 -2.749 1.00 1.00 O ATOM 0 H GLY A 4 -6.800 1.005 -0.983 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.801 -0.726 -0.375 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.217 -1.555 0.240 1.00 1.00 H new ATOM 46 N ASP A 5 -6.063 -2.597 -2.099 1.00 1.00 N ATOM 47 CA ASP A 5 -6.342 -3.199 -3.397 1.00 1.00 C ATOM 48 C ASP A 5 -5.537 -2.523 -4.505 1.00 1.00 C ATOM 49 O ASP A 5 -6.101 -1.965 -5.447 1.00 1.00 O ATOM 50 CB ASP A 5 -7.837 -3.110 -3.700 1.00 1.00 C ATOM 51 CG ASP A 5 -8.300 -4.195 -4.652 1.00 1.00 C ATOM 52 OD1 ASP A 5 -8.009 -4.087 -5.862 1.00 1.00 O ATOM 53 OD2 ASP A 5 -8.955 -5.152 -4.188 1.00 1.00 O ATOM 0 H ASP A 5 -5.754 -3.260 -1.388 1.00 1.00 H new ATOM 0 HA ASP A 5 -6.044 -4.247 -3.359 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.399 -3.184 -2.769 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -8.060 -2.134 -4.130 1.00 1.00 H new ATOM 58 N GLY A 6 -4.214 -2.579 -4.385 1.00 1.00 N ATOM 59 CA GLY A 6 -3.350 -1.972 -5.382 1.00 1.00 C ATOM 60 C GLY A 6 -3.205 -0.470 -5.205 1.00 1.00 C ATOM 61 O GLY A 6 -2.497 0.183 -5.971 1.00 1.00 O ATOM 0 H GLY A 6 -3.724 -3.034 -3.615 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.365 -2.435 -5.332 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.749 -2.179 -6.375 1.00 1.00 H new ATOM 65 N GLN A 7 -3.877 0.081 -4.198 1.00 1.00 N ATOM 66 CA GLN A 7 -3.817 1.514 -3.933 1.00 1.00 C ATOM 67 C GLN A 7 -2.446 1.921 -3.399 1.00 1.00 C ATOM 68 O GLN A 7 -1.902 1.276 -2.500 1.00 1.00 O ATOM 69 CB GLN A 7 -4.904 1.914 -2.933 1.00 1.00 C ATOM 70 CG GLN A 7 -4.950 3.407 -2.649 1.00 1.00 C ATOM 71 CD GLN A 7 -6.348 3.981 -2.766 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.273 3.537 -2.086 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.509 4.974 -3.633 1.00 1.00 N ATOM 0 H GLN A 7 -4.469 -0.443 -3.553 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.985 2.035 -4.875 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.873 1.595 -3.316 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.740 1.380 -1.997 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.568 3.594 -1.646 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.289 3.926 -3.344 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -5.714 5.311 -4.176 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.428 5.400 -3.756 1.00 1.00 H new ATOM 82 N ARG A 8 -1.896 2.998 -3.953 1.00 1.00 N ATOM 83 CA ARG A 8 -0.595 3.497 -3.525 1.00 1.00 C ATOM 84 C ARG A 8 -0.684 4.106 -2.130 1.00 1.00 C ATOM 85 O ARG A 8 -1.488 5.006 -1.888 1.00 1.00 O ATOM 86 CB ARG A 8 -0.068 4.543 -4.512 1.00 1.00 C ATOM 87 CG ARG A 8 0.756 3.954 -5.645 1.00 1.00 C ATOM 88 CD ARG A 8 -0.128 3.348 -6.725 1.00 1.00 C ATOM 89 NE ARG A 8 -0.017 1.892 -6.773 1.00 1.00 N ATOM 90 CZ ARG A 8 0.964 1.243 -7.396 1.00 1.00 C ATOM 91 NH1 ARG A 8 1.925 1.914 -8.018 1.00 1.00 N ATOM 92 NH2 ARG A 8 0.984 -0.083 -7.396 1.00 1.00 N ATOM 0 H ARG A 8 -2.332 3.541 -4.699 1.00 1.00 H new ATOM 0 HA ARG A 8 0.096 2.654 -3.499 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -0.912 5.089 -4.934 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.541 5.267 -3.970 1.00 1.00 H new ATOM 0 HG2 ARG A 8 1.383 4.731 -6.081 1.00 1.00 H new ATOM 0 HG3 ARG A 8 1.425 3.189 -5.250 1.00 1.00 H new ATOM 0 HD2 ARG A 8 -1.166 3.626 -6.542 1.00 1.00 H new ATOM 0 HD3 ARG A 8 0.147 3.764 -7.694 1.00 1.00 H new ATOM 0 HE ARG A 8 -0.734 1.340 -6.301 1.00 1.00 H new ATOM 0 HH11 ARG A 8 1.915 2.934 -8.021 1.00 1.00 H new ATOM 0 HH12 ARG A 8 2.674 1.410 -8.493 1.00 1.00 H new ATOM 0 HH21 ARG A 8 0.248 -0.604 -6.919 1.00 1.00 H new ATOM 0 HH22 ARG A 8 1.735 -0.582 -7.873 1.00 1.00 H new ATOM 106 N CYS A 9 0.147 3.617 -1.216 1.00 1.00 N ATOM 107 CA CYS A 9 0.158 4.125 0.151 1.00 1.00 C ATOM 108 C CYS A 9 0.445 5.622 0.163 1.00 1.00 C ATOM 109 O CYS A 9 1.217 6.120 -0.656 1.00 1.00 O ATOM 110 CB CYS A 9 1.205 3.386 0.986 1.00 1.00 C ATOM 111 SG CYS A 9 0.566 1.919 1.856 1.00 1.00 S ATOM 0 H CYS A 9 0.820 2.872 -1.396 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.826 3.954 0.587 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.023 3.080 0.334 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.622 4.076 1.719 1.00 1.00 H new ATOM 116 N ALA A 10 -0.180 6.338 1.092 1.00 1.00 N ATOM 117 CA ALA A 10 0.012 7.781 1.204 1.00 1.00 C ATOM 118 C ALA A 10 1.495 8.133 1.269 1.00 1.00 C ATOM 119 O ALA A 10 2.276 7.430 1.909 1.00 1.00 O ATOM 120 CB ALA A 10 -0.715 8.318 2.427 1.00 1.00 C ATOM 0 H ALA A 10 -0.824 5.944 1.778 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.407 8.249 0.313 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.563 9.395 2.497 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.781 8.107 2.338 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -0.323 7.837 3.323 1.00 1.00 H new ATOM 126 N SER A 11 1.867 9.231 0.607 1.00 1.00 N ATOM 127 CA SER A 11 3.249 9.706 0.575 1.00 1.00 C ATOM 128 C SER A 11 4.256 8.550 0.556 1.00 1.00 C ATOM 129 O SER A 11 4.656 8.086 -0.511 1.00 1.00 O ATOM 130 CB SER A 11 3.490 10.630 1.761 1.00 1.00 C ATOM 131 OG SER A 11 4.835 10.576 2.207 1.00 1.00 O ATOM 0 H SER A 11 1.218 9.814 0.079 1.00 1.00 H new ATOM 0 HA SER A 11 3.402 10.260 -0.351 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.241 11.653 1.481 1.00 1.00 H new ATOM 0 HB3 SER A 11 2.825 10.353 2.579 1.00 1.00 H new ATOM 0 HG SER A 11 4.855 10.345 3.159 1.00 1.00 H new ATOM 137 N TRP A 12 4.657 8.087 1.737 1.00 1.00 N ATOM 138 CA TRP A 12 5.609 6.986 1.843 1.00 1.00 C ATOM 139 C TRP A 12 5.088 5.905 2.787 1.00 1.00 C ATOM 140 O TRP A 12 5.249 4.712 2.528 1.00 1.00 O ATOM 141 CB TRP A 12 6.977 7.490 2.326 1.00 1.00 C ATOM 142 CG TRP A 12 6.928 8.823 3.014 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.323 9.111 4.204 1.00 1.00 C ATOM 144 CD2 TRP A 12 7.509 10.047 2.552 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.492 10.440 4.509 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.217 11.036 3.510 1.00 1.00 C ATOM 147 CE3 TRP A 12 8.249 10.403 1.421 1.00 1.00 C ATOM 148 CZ2 TRP A 12 7.638 12.356 3.371 1.00 1.00 C ATOM 149 CZ3 TRP A 12 8.667 11.714 1.284 1.00 1.00 C ATOM 150 CH2 TRP A 12 8.361 12.676 2.254 1.00 1.00 C ATOM 0 H TRP A 12 4.338 8.457 2.632 1.00 1.00 H new ATOM 0 HA TRP A 12 5.728 6.553 0.850 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.403 6.755 3.009 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.650 7.558 1.471 1.00 1.00 H new ATOM 0 HD1 TRP A 12 5.790 8.398 4.816 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.136 10.907 5.343 1.00 1.00 H new ATOM 0 HE3 TRP A 12 8.490 9.668 0.668 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 7.403 13.100 4.117 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 9.239 12.001 0.414 1.00 1.00 H new ATOM 0 HH2 TRP A 12 8.703 13.692 2.118 1.00 1.00 H new ATOM 161 N SER A 13 4.463 6.329 3.882 1.00 1.00 N ATOM 162 CA SER A 13 3.918 5.397 4.863 1.00 1.00 C ATOM 163 C SER A 13 3.219 6.149 5.992 1.00 1.00 C ATOM 164 O SER A 13 3.708 6.191 7.121 1.00 1.00 O ATOM 165 CB SER A 13 5.029 4.513 5.432 1.00 1.00 C ATOM 166 OG SER A 13 6.146 5.289 5.829 1.00 1.00 O ATOM 0 H SER A 13 4.322 7.313 4.112 1.00 1.00 H new ATOM 0 HA SER A 13 3.185 4.765 4.361 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.650 3.952 6.286 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.337 3.783 4.683 1.00 1.00 H new ATOM 0 HG SER A 13 5.860 5.967 6.476 1.00 1.00 H new ATOM 172 N GLY A 14 2.073 6.745 5.678 1.00 1.00 N ATOM 173 CA GLY A 14 1.327 7.491 6.675 1.00 1.00 C ATOM 174 C GLY A 14 0.170 6.700 7.253 1.00 1.00 C ATOM 175 O GLY A 14 0.289 6.123 8.333 1.00 1.00 O ATOM 0 H GLY A 14 1.648 6.725 4.751 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.999 7.785 7.481 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.946 8.409 6.227 1.00 1.00 H new ATOM 179 N PRO A 15 -0.974 6.660 6.552 1.00 1.00 N ATOM 180 CA PRO A 15 -2.154 5.932 7.020 1.00 1.00 C ATOM 181 C PRO A 15 -1.989 4.422 6.901 1.00 1.00 C ATOM 182 O PRO A 15 -1.055 3.936 6.263 1.00 1.00 O ATOM 183 CB PRO A 15 -3.264 6.426 6.092 1.00 1.00 C ATOM 184 CG PRO A 15 -2.561 6.812 4.837 1.00 1.00 C ATOM 185 CD PRO A 15 -1.209 7.323 5.256 1.00 1.00 C ATOM 0 HA PRO A 15 -2.352 6.111 8.077 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.003 5.646 5.908 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.795 7.273 6.525 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.464 5.958 4.166 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.118 7.579 4.299 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.440 7.065 4.528 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.203 8.409 5.354 1.00 1.00 H new ATOM 193 N TYR A 16 -2.903 3.683 7.521 1.00 1.00 N ATOM 194 CA TYR A 16 -2.861 2.226 7.486 1.00 1.00 C ATOM 195 C TYR A 16 -3.781 1.681 6.399 1.00 1.00 C ATOM 196 O TYR A 16 -4.697 2.367 5.945 1.00 1.00 O ATOM 197 CB TYR A 16 -3.261 1.649 8.846 1.00 1.00 C ATOM 198 CG TYR A 16 -2.652 2.382 10.020 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.312 2.216 10.349 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.417 3.240 10.800 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.753 2.884 11.422 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.865 3.912 11.874 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.533 3.731 12.181 1.00 1.00 C ATOM 204 OH TYR A 16 -0.980 4.397 13.250 1.00 1.00 O ATOM 0 H TYR A 16 -3.682 4.070 8.054 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.839 1.923 7.258 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.347 1.675 8.937 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.962 0.602 8.888 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.698 1.554 9.757 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.461 3.384 10.563 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.290 2.743 11.665 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.474 4.576 12.470 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.664 4.954 13.678 1.00 1.00 H new ATOM 214 N CYS A 17 -3.532 0.443 5.988 1.00 1.00 N ATOM 215 CA CYS A 17 -4.338 -0.197 4.955 1.00 1.00 C ATOM 216 C CYS A 17 -5.549 -0.894 5.565 1.00 1.00 C ATOM 217 O CYS A 17 -5.606 -1.119 6.774 1.00 1.00 O ATOM 218 CB CYS A 17 -3.493 -1.205 4.172 1.00 1.00 C ATOM 219 SG CYS A 17 -3.612 -1.027 2.362 1.00 1.00 S ATOM 0 H CYS A 17 -2.778 -0.138 6.354 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.693 0.576 4.273 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.450 -1.097 4.469 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.801 -2.213 4.448 1.00 1.00 H new ATOM 224 N CYS A 18 -6.514 -1.236 4.718 1.00 1.00 N ATOM 225 CA CYS A 18 -7.724 -1.910 5.166 1.00 1.00 C ATOM 226 C CYS A 18 -7.388 -3.166 5.959 1.00 1.00 C ATOM 227 O CYS A 18 -6.221 -3.465 6.211 1.00 1.00 O ATOM 228 CB CYS A 18 -8.602 -2.271 3.965 1.00 1.00 C ATOM 229 SG CYS A 18 -9.210 -0.832 3.028 1.00 1.00 S ATOM 0 H CYS A 18 -6.480 -1.056 3.715 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.270 -1.228 5.818 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.033 -2.914 3.293 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.456 -2.851 4.314 1.00 1.00 H new ATOM 234 N ASP A 19 -8.422 -3.893 6.349 1.00 1.00 N ATOM 235 CA ASP A 19 -8.252 -5.120 7.118 1.00 1.00 C ATOM 236 C ASP A 19 -8.019 -6.314 6.197 1.00 1.00 C ATOM 237 O ASP A 19 -8.905 -6.707 5.438 1.00 1.00 O ATOM 238 CB ASP A 19 -9.479 -5.371 7.997 1.00 1.00 C ATOM 239 CG ASP A 19 -9.115 -5.976 9.339 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.811 -5.205 10.274 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.134 -7.219 9.455 1.00 1.00 O ATOM 0 H ASP A 19 -9.393 -3.655 6.146 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.376 -5.000 7.755 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -10.007 -4.431 8.157 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.166 -6.037 7.475 1.00 1.00 H new ATOM 246 N GLY A 20 -6.823 -6.888 6.271 1.00 1.00 N ATOM 247 CA GLY A 20 -6.497 -8.033 5.441 1.00 1.00 C ATOM 248 C GLY A 20 -5.424 -7.723 4.414 1.00 1.00 C ATOM 249 O GLY A 20 -4.699 -8.616 3.977 1.00 1.00 O ATOM 0 H GLY A 20 -6.073 -6.581 6.891 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.161 -8.853 6.076 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.397 -8.374 4.929 1.00 1.00 H new ATOM 253 N TYR A 21 -5.325 -6.456 4.025 1.00 1.00 N ATOM 254 CA TYR A 21 -4.334 -6.036 3.041 1.00 1.00 C ATOM 255 C TYR A 21 -3.077 -5.503 3.723 1.00 1.00 C ATOM 256 O TYR A 21 -3.053 -5.310 4.938 1.00 1.00 O ATOM 257 CB TYR A 21 -4.921 -4.964 2.117 1.00 1.00 C ATOM 258 CG TYR A 21 -6.279 -5.317 1.538 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.772 -6.617 1.594 1.00 1.00 C ATOM 260 CD2 TYR A 21 -7.066 -4.346 0.934 1.00 1.00 C ATOM 261 CE1 TYR A 21 -8.008 -6.935 1.064 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.303 -4.657 0.403 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.769 -5.952 0.471 1.00 1.00 C ATOM 264 OH TYR A 21 -10.000 -6.265 -0.057 1.00 1.00 O ATOM 0 H TYR A 21 -5.918 -5.704 4.375 1.00 1.00 H new ATOM 0 HA TYR A 21 -4.060 -6.908 2.447 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -5.007 -4.030 2.672 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.225 -4.786 1.298 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.179 -7.390 2.059 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.705 -3.330 0.878 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.375 -7.949 1.115 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.902 -3.889 -0.063 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.408 -5.459 -0.437 1.00 1.00 H new ATOM 274 N TYR A 22 -2.036 -5.267 2.930 1.00 1.00 N ATOM 275 CA TYR A 22 -0.774 -4.755 3.448 1.00 1.00 C ATOM 276 C TYR A 22 -0.227 -3.657 2.544 1.00 1.00 C ATOM 277 O TYR A 22 -0.841 -3.305 1.535 1.00 1.00 O ATOM 278 CB TYR A 22 0.254 -5.884 3.565 1.00 1.00 C ATOM 279 CG TYR A 22 -0.179 -7.019 4.466 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.864 -6.773 5.649 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.102 -8.339 4.133 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.257 -7.808 6.475 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.288 -9.380 4.955 1.00 1.00 C ATOM 284 CZ TYR A 22 -0.967 -9.109 6.124 1.00 1.00 C ATOM 285 OH TYR A 22 -1.356 -10.143 6.944 1.00 1.00 O ATOM 0 H TYR A 22 -2.043 -5.423 1.922 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.960 -4.337 4.438 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.458 -6.281 2.570 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.190 -5.472 3.941 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.093 -5.755 5.928 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.633 -8.555 3.218 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.789 -7.599 7.391 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.062 -10.400 4.683 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.075 -10.996 6.551 1.00 1.00 H new ATOM 295 N CYS A 23 0.933 -3.122 2.910 1.00 1.00 N ATOM 296 CA CYS A 23 1.566 -2.065 2.131 1.00 1.00 C ATOM 297 C CYS A 23 2.999 -2.440 1.766 1.00 1.00 C ATOM 298 O CYS A 23 3.840 -2.642 2.641 1.00 1.00 O ATOM 299 CB CYS A 23 1.555 -0.749 2.913 1.00 1.00 C ATOM 300 SG CYS A 23 2.172 0.682 1.967 1.00 1.00 S ATOM 0 H CYS A 23 1.453 -3.403 3.741 1.00 1.00 H new ATOM 0 HA CYS A 23 0.997 -1.938 1.210 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.536 -0.542 3.242 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.162 -0.867 3.811 1.00 1.00 H new ATOM 305 N SER A 24 3.269 -2.524 0.468 1.00 1.00 N ATOM 306 CA SER A 24 4.600 -2.865 -0.015 1.00 1.00 C ATOM 307 C SER A 24 5.335 -1.613 -0.476 1.00 1.00 C ATOM 308 O SER A 24 4.731 -0.553 -0.635 1.00 1.00 O ATOM 309 CB SER A 24 4.509 -3.872 -1.163 1.00 1.00 C ATOM 310 OG SER A 24 4.598 -5.203 -0.683 1.00 1.00 O ATOM 0 H SER A 24 2.582 -2.360 -0.268 1.00 1.00 H new ATOM 0 HA SER A 24 5.158 -3.317 0.805 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.568 -3.737 -1.696 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.310 -3.686 -1.878 1.00 1.00 H new ATOM 0 HG SER A 24 4.535 -5.827 -1.436 1.00 1.00 H new ATOM 316 N CYS A 25 6.640 -1.737 -0.686 1.00 1.00 N ATOM 317 CA CYS A 25 7.446 -0.605 -1.126 1.00 1.00 C ATOM 318 C CYS A 25 8.614 -1.067 -1.991 1.00 1.00 C ATOM 319 O CYS A 25 9.768 -0.727 -1.729 1.00 1.00 O ATOM 320 CB CYS A 25 7.959 0.178 0.084 1.00 1.00 C ATOM 321 SG CYS A 25 6.647 0.709 1.233 1.00 1.00 S ATOM 0 H CYS A 25 7.160 -2.605 -0.560 1.00 1.00 H new ATOM 0 HA CYS A 25 6.816 0.048 -1.730 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.675 -0.439 0.626 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.498 1.058 -0.267 1.00 1.00 H new ATOM 326 N ARG A 26 8.305 -1.839 -3.028 1.00 1.00 N ATOM 327 CA ARG A 26 9.326 -2.342 -3.938 1.00 1.00 C ATOM 328 C ARG A 26 10.077 -1.186 -4.593 1.00 1.00 C ATOM 329 O ARG A 26 10.017 -0.052 -4.120 1.00 1.00 O ATOM 330 CB ARG A 26 8.687 -3.233 -5.008 1.00 1.00 C ATOM 331 CG ARG A 26 9.443 -4.529 -5.251 1.00 1.00 C ATOM 332 CD ARG A 26 8.857 -5.305 -6.419 1.00 1.00 C ATOM 333 NE ARG A 26 7.545 -5.865 -6.101 1.00 1.00 N ATOM 334 CZ ARG A 26 6.780 -6.507 -6.981 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.190 -6.673 -8.232 1.00 1.00 N ATOM 336 NH2 ARG A 26 5.600 -6.984 -6.608 1.00 1.00 N ATOM 0 H ARG A 26 7.355 -2.130 -3.259 1.00 1.00 H new ATOM 0 HA ARG A 26 10.039 -2.935 -3.365 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.665 -3.468 -4.710 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.626 -2.677 -5.943 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.492 -4.308 -5.449 1.00 1.00 H new ATOM 0 HG3 ARG A 26 9.411 -5.144 -4.352 1.00 1.00 H new ATOM 0 HD2 ARG A 26 8.771 -4.648 -7.284 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.537 -6.110 -6.697 1.00 1.00 H new ATOM 0 HE ARG A 26 7.195 -5.758 -5.149 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.096 -6.308 -8.524 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.599 -7.166 -8.901 1.00 1.00 H new ATOM 0 HH21 ARG A 26 5.280 -6.859 -5.648 1.00 1.00 H new ATOM 0 HH22 ARG A 26 5.013 -7.476 -7.281 1.00 1.00 H new ATOM 350 N SER A 27 10.782 -1.479 -5.681 1.00 1.00 N ATOM 351 CA SER A 27 11.541 -0.460 -6.397 1.00 1.00 C ATOM 352 C SER A 27 10.622 0.649 -6.902 1.00 1.00 C ATOM 353 O SER A 27 10.194 0.637 -8.055 1.00 1.00 O ATOM 354 CB SER A 27 12.295 -1.087 -7.572 1.00 1.00 C ATOM 355 OG SER A 27 13.588 -1.514 -7.179 1.00 1.00 O ATOM 0 H SER A 27 10.843 -2.413 -6.086 1.00 1.00 H new ATOM 0 HA SER A 27 12.260 -0.024 -5.703 1.00 1.00 H new ATOM 0 HB2 SER A 27 11.731 -1.935 -7.959 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.378 -0.363 -8.383 1.00 1.00 H new ATOM 0 HG SER A 27 14.048 -1.912 -7.947 1.00 1.00 H new ATOM 361 N MET A 28 10.325 1.607 -6.028 1.00 1.00 N ATOM 362 CA MET A 28 9.457 2.725 -6.382 1.00 1.00 C ATOM 363 C MET A 28 9.328 3.701 -5.212 1.00 1.00 C ATOM 364 O MET A 28 9.066 3.290 -4.081 1.00 1.00 O ATOM 365 CB MET A 28 8.074 2.214 -6.795 1.00 1.00 C ATOM 366 CG MET A 28 7.794 2.353 -8.282 1.00 1.00 C ATOM 367 SD MET A 28 7.263 4.015 -8.736 1.00 1.00 S ATOM 368 CE MET A 28 8.576 4.496 -9.855 1.00 1.00 C ATOM 0 H MET A 28 10.673 1.631 -5.069 1.00 1.00 H new ATOM 0 HA MET A 28 9.905 3.252 -7.224 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.984 1.165 -6.513 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.313 2.760 -6.238 1.00 1.00 H new ATOM 0 HG2 MET A 28 8.693 2.097 -8.843 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.024 1.638 -8.571 1.00 1.00 H new ATOM 0 HE1 MET A 28 8.438 5.535 -10.153 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.538 4.387 -9.355 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.552 3.859 -10.739 1.00 1.00 H new ATOM 378 N PRO A 29 9.511 5.011 -5.464 1.00 1.00 N ATOM 379 CA PRO A 29 9.414 6.036 -4.418 1.00 1.00 C ATOM 380 C PRO A 29 8.074 6.002 -3.689 1.00 1.00 C ATOM 381 O PRO A 29 7.977 6.414 -2.533 1.00 1.00 O ATOM 382 CB PRO A 29 9.567 7.353 -5.186 1.00 1.00 C ATOM 383 CG PRO A 29 10.284 6.986 -6.438 1.00 1.00 C ATOM 384 CD PRO A 29 9.830 5.595 -6.780 1.00 1.00 C ATOM 0 HA PRO A 29 10.165 5.890 -3.642 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.596 7.799 -5.403 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.131 8.084 -4.607 1.00 1.00 H new ATOM 0 HG2 PRO A 29 10.047 7.683 -7.242 1.00 1.00 H new ATOM 0 HG3 PRO A 29 11.364 7.020 -6.294 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.960 5.606 -7.437 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.610 5.031 -7.292 1.00 1.00 H new ATOM 392 N TYR A 30 7.042 5.516 -4.371 1.00 1.00 N ATOM 393 CA TYR A 30 5.709 5.438 -3.784 1.00 1.00 C ATOM 394 C TYR A 30 5.389 4.018 -3.328 1.00 1.00 C ATOM 395 O TYR A 30 5.467 3.072 -4.111 1.00 1.00 O ATOM 396 CB TYR A 30 4.656 5.908 -4.794 1.00 1.00 C ATOM 397 CG TYR A 30 3.689 6.937 -4.245 1.00 1.00 C ATOM 398 CD1 TYR A 30 3.375 6.981 -2.891 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.091 7.868 -5.085 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.494 7.922 -2.393 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.210 8.812 -4.594 1.00 1.00 C ATOM 402 CZ TYR A 30 1.914 8.835 -3.248 1.00 1.00 C ATOM 403 OH TYR A 30 1.037 9.773 -2.756 1.00 1.00 O ATOM 0 H TYR A 30 7.103 5.171 -5.329 1.00 1.00 H new ATOM 0 HA TYR A 30 5.689 6.091 -2.912 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.163 6.329 -5.662 1.00 1.00 H new ATOM 0 HB3 TYR A 30 4.091 5.044 -5.143 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.827 6.268 -2.218 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.319 7.853 -6.141 1.00 1.00 H new ATOM 0 HE1 TYR A 30 2.261 7.942 -1.339 1.00 1.00 H new ATOM 0 HE2 TYR A 30 1.755 9.529 -5.262 1.00 1.00 H new ATOM 0 HH TYR A 30 0.720 10.340 -3.489 1.00 1.00 H new ATOM 413 N CYS A 31 5.018 3.879 -2.059 1.00 1.00 N ATOM 414 CA CYS A 31 4.675 2.591 -1.499 1.00 1.00 C ATOM 415 C CYS A 31 3.303 2.148 -1.998 1.00 1.00 C ATOM 416 O CYS A 31 2.422 2.978 -2.223 1.00 1.00 O ATOM 417 CB CYS A 31 4.685 2.693 0.022 1.00 1.00 C ATOM 418 SG CYS A 31 6.351 2.661 0.761 1.00 1.00 S ATOM 0 H CYS A 31 4.949 4.654 -1.400 1.00 1.00 H new ATOM 0 HA CYS A 31 5.406 1.847 -1.815 1.00 1.00 H new ATOM 0 HB2 CYS A 31 4.187 3.617 0.316 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.101 1.870 0.434 1.00 1.00 H new ATOM 423 N ARG A 32 3.126 0.844 -2.187 1.00 1.00 N ATOM 424 CA ARG A 32 1.858 0.315 -2.678 1.00 1.00 C ATOM 425 C ARG A 32 1.098 -0.421 -1.579 1.00 1.00 C ATOM 426 O ARG A 32 1.678 -0.826 -0.573 1.00 1.00 O ATOM 427 CB ARG A 32 2.092 -0.630 -3.864 1.00 1.00 C ATOM 428 CG ARG A 32 3.460 -0.483 -4.516 1.00 1.00 C ATOM 429 CD ARG A 32 3.390 -0.719 -6.013 1.00 1.00 C ATOM 430 NE ARG A 32 4.613 -1.325 -6.532 1.00 1.00 N ATOM 431 CZ ARG A 32 4.899 -2.621 -6.434 1.00 1.00 C ATOM 432 NH1 ARG A 32 4.052 -3.451 -5.837 1.00 1.00 N ATOM 433 NH2 ARG A 32 6.034 -3.089 -6.934 1.00 1.00 N ATOM 0 H ARG A 32 3.840 0.138 -2.009 1.00 1.00 H new ATOM 0 HA ARG A 32 1.255 1.162 -3.005 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.972 -1.659 -3.524 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.322 -0.451 -4.615 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.851 0.516 -4.322 1.00 1.00 H new ATOM 0 HG3 ARG A 32 4.156 -1.191 -4.067 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.542 -1.366 -6.238 1.00 1.00 H new ATOM 0 HD3 ARG A 32 3.212 0.229 -6.521 1.00 1.00 H new ATOM 0 HE ARG A 32 5.288 -0.719 -6.997 1.00 1.00 H new ATOM 0 HH11 ARG A 32 3.177 -3.096 -5.451 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.276 -4.443 -5.765 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.688 -2.456 -7.394 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.253 -4.082 -6.859 1.00 1.00 H new ATOM 447 N CYS A 33 -0.203 -0.593 -1.787 1.00 1.00 N ATOM 448 CA CYS A 33 -1.052 -1.289 -0.826 1.00 1.00 C ATOM 449 C CYS A 33 -1.992 -2.247 -1.551 1.00 1.00 C ATOM 450 O CYS A 33 -2.651 -1.865 -2.516 1.00 1.00 O ATOM 451 CB CYS A 33 -1.855 -0.283 0.002 1.00 1.00 C ATOM 452 SG CYS A 33 -1.725 -0.531 1.802 1.00 1.00 S ATOM 0 H CYS A 33 -0.694 -0.259 -2.616 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.417 -1.864 -0.152 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.516 0.724 -0.241 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.904 -0.345 -0.288 1.00 1.00 H new ATOM 457 N ARG A 34 -2.045 -3.494 -1.089 1.00 1.00 N ATOM 458 CA ARG A 34 -2.902 -4.498 -1.714 1.00 1.00 C ATOM 459 C ARG A 34 -3.090 -5.702 -0.799 1.00 1.00 C ATOM 460 O ARG A 34 -2.466 -5.794 0.254 1.00 1.00 O ATOM 461 CB ARG A 34 -2.302 -4.946 -3.049 1.00 1.00 C ATOM 462 CG ARG A 34 -3.330 -5.486 -4.031 1.00 1.00 C ATOM 463 CD ARG A 34 -2.862 -5.329 -5.469 1.00 1.00 C ATOM 464 NE ARG A 34 -3.980 -5.293 -6.408 1.00 1.00 N ATOM 465 CZ ARG A 34 -3.842 -5.370 -7.729 1.00 1.00 C ATOM 466 NH1 ARG A 34 -2.636 -5.489 -8.271 1.00 1.00 N ATOM 467 NH2 ARG A 34 -4.911 -5.328 -8.512 1.00 1.00 N ATOM 0 H ARG A 34 -1.509 -3.832 -0.290 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.878 -4.047 -1.892 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.784 -4.103 -3.506 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.553 -5.715 -2.861 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.517 -6.539 -3.821 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -4.275 -4.961 -3.895 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.280 -4.412 -5.563 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.199 -6.155 -5.727 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.923 -5.204 -6.029 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.810 -5.522 -7.674 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -2.536 -5.548 -9.284 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -5.840 -5.237 -8.102 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -4.804 -5.387 -9.525 1.00 1.00 H new ATOM 481 N ASN A 35 -3.958 -6.623 -1.212 1.00 1.00 N ATOM 482 CA ASN A 35 -4.240 -7.829 -0.434 1.00 1.00 C ATOM 483 C ASN A 35 -2.961 -8.447 0.128 1.00 1.00 C ATOM 484 O ASN A 35 -1.856 -8.114 -0.301 1.00 1.00 O ATOM 485 CB ASN A 35 -4.976 -8.855 -1.297 1.00 1.00 C ATOM 486 CG ASN A 35 -5.675 -9.914 -0.467 1.00 1.00 C ATOM 487 OD1 ASN A 35 -6.606 -9.618 0.281 1.00 1.00 O ATOM 488 ND2 ASN A 35 -5.226 -11.157 -0.596 1.00 1.00 N ATOM 0 H ASN A 35 -4.481 -6.557 -2.085 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.873 -7.540 0.405 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.709 -8.343 -1.920 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.266 -9.335 -1.970 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -5.656 -11.913 -0.063 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -4.451 -11.356 -1.229 1.00 1.00 H new ATOM 495 N ASN A 36 -3.123 -9.347 1.092 1.00 1.00 N ATOM 496 CA ASN A 36 -1.981 -10.010 1.719 1.00 1.00 C ATOM 497 C ASN A 36 -1.306 -10.973 0.748 1.00 1.00 C ATOM 498 O ASN A 36 -0.252 -10.670 0.190 1.00 1.00 O ATOM 499 CB ASN A 36 -2.407 -10.755 2.993 1.00 1.00 C ATOM 500 CG ASN A 36 -3.805 -11.344 2.907 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.194 -11.902 1.881 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.566 -11.220 3.988 1.00 1.00 N ATOM 0 H ASN A 36 -4.031 -9.635 1.457 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.263 -9.237 1.994 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.695 -11.556 3.192 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.361 -10.069 3.839 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.515 -11.595 3.990 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.202 -10.750 4.817 1.00 1.00 H new ATOM 509 N SER A 37 -1.918 -12.131 0.554 1.00 1.00 N ATOM 510 CA SER A 37 -1.379 -13.142 -0.348 1.00 1.00 C ATOM 511 C SER A 37 -2.261 -13.295 -1.583 1.00 1.00 C ATOM 512 O SER A 37 -3.400 -13.787 -1.439 1.00 1.00 O ATOM 513 CB SER A 37 -1.254 -14.485 0.373 1.00 1.00 C ATOM 514 OG SER A 37 -0.242 -15.286 -0.210 1.00 1.00 O ATOM 0 H SER A 37 -2.791 -12.396 1.010 1.00 1.00 H new ATOM 0 HA SER A 37 -0.389 -12.816 -0.668 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.027 -14.316 1.426 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.207 -15.012 0.333 1.00 1.00 H new ATOM 0 HG SER A 37 -0.182 -16.138 0.271 1.00 1.00 H new HETATM 520 N NH2 A 38 -1.806 -12.921 -2.685 1.00 1.00 N TER 521 NH2 A 38