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 Set 1.1: A 35 ASN :FLIP amide:sc= -0.032 F(o=-2.1,f=-1.6) USER MOD Set 1.2: A 36 ASN : amide:sc= -1.53 K(o=-1.6,f=-9.4!) USER MOD Single : A 1 ALA N :NH3+ 148:sc= 0.014 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -1.37 K(o=-1.4,f=-3.1!) USER MOD Single : A 11 SER OG : rot -109:sc= 0.2 USER MOD Single : A 13 SER OG : rot 180:sc= -0.538 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 149:sc= -0.0186 (180deg=-1.14) 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 -10.097 4.808 8.490 1.00 1.00 N ATOM 2 CA ALA A 1 -10.185 4.632 7.017 1.00 1.00 C ATOM 3 C ALA A 1 -8.997 3.836 6.489 1.00 1.00 C ATOM 4 O ALA A 1 -7.880 3.964 6.988 1.00 1.00 O ATOM 5 CB ALA A 1 -10.260 5.987 6.329 1.00 1.00 C ATOM 0 H1 ALA A 1 -10.524 5.718 8.757 1.00 1.00 H new ATOM 0 H2 ALA A 1 -10.606 4.034 8.963 1.00 1.00 H new ATOM 0 H3 ALA A 1 -9.099 4.795 8.782 1.00 1.00 H new ATOM 0 HA ALA A 1 -11.093 4.072 6.795 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -10.324 5.844 5.250 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -11.143 6.523 6.677 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -9.367 6.565 6.566 1.00 1.00 H new ATOM 13 N CYS A 2 -9.247 3.013 5.475 1.00 1.00 N ATOM 14 CA CYS A 2 -8.197 2.195 4.878 1.00 1.00 C ATOM 15 C CYS A 2 -8.122 2.417 3.373 1.00 1.00 C ATOM 16 O CYS A 2 -9.023 3.005 2.774 1.00 1.00 O ATOM 17 CB CYS A 2 -8.440 0.715 5.179 1.00 1.00 C ATOM 18 SG CYS A 2 -10.015 0.069 4.532 1.00 1.00 S ATOM 0 H CYS A 2 -10.167 2.895 5.050 1.00 1.00 H new ATOM 0 HA CYS A 2 -7.245 2.495 5.317 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -7.621 0.131 4.759 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -8.416 0.567 6.259 1.00 1.00 H new ATOM 23 N VAL A 3 -7.038 1.945 2.770 1.00 1.00 N ATOM 24 CA VAL A 3 -6.837 2.092 1.331 1.00 1.00 C ATOM 25 C VAL A 3 -7.352 0.870 0.577 1.00 1.00 C ATOM 26 O VAL A 3 -7.604 -0.178 1.170 1.00 1.00 O ATOM 27 CB VAL A 3 -5.349 2.320 0.967 1.00 1.00 C ATOM 28 CG1 VAL A 3 -5.218 3.433 -0.061 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.518 2.639 2.204 1.00 1.00 C ATOM 0 H VAL A 3 -6.284 1.457 3.253 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.404 2.973 1.032 1.00 1.00 H new ATOM 0 HB VAL A 3 -4.966 1.396 0.535 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -4.166 3.580 -0.306 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -5.766 3.161 -0.963 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -5.628 4.356 0.348 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -3.479 2.793 1.914 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -4.901 3.543 2.676 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.579 1.809 2.907 1.00 1.00 H new ATOM 39 N GLY A 4 -7.511 1.018 -0.733 1.00 1.00 N ATOM 40 CA GLY A 4 -8.003 -0.076 -1.552 1.00 1.00 C ATOM 41 C GLY A 4 -6.904 -1.027 -1.987 1.00 1.00 C ATOM 42 O GLY A 4 -5.829 -1.063 -1.387 1.00 1.00 O ATOM 0 H GLY A 4 -7.308 1.877 -1.244 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -8.757 -0.631 -0.994 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.496 0.331 -2.435 1.00 1.00 H new ATOM 46 N ASP A 5 -7.178 -1.802 -3.033 1.00 1.00 N ATOM 47 CA ASP A 5 -6.210 -2.763 -3.552 1.00 1.00 C ATOM 48 C ASP A 5 -5.298 -2.114 -4.589 1.00 1.00 C ATOM 49 O ASP A 5 -5.763 -1.422 -5.495 1.00 1.00 O ATOM 50 CB ASP A 5 -6.933 -3.961 -4.170 1.00 1.00 C ATOM 51 CG ASP A 5 -6.197 -5.265 -3.933 1.00 1.00 C ATOM 52 OD1 ASP A 5 -5.763 -5.502 -2.786 1.00 1.00 O ATOM 53 OD2 ASP A 5 -6.054 -6.050 -4.894 1.00 1.00 O ATOM 0 H ASP A 5 -8.064 -1.783 -3.538 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.595 -3.106 -2.720 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -7.937 -4.032 -3.751 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -7.046 -3.800 -5.242 1.00 1.00 H new ATOM 58 N GLY A 6 -3.996 -2.341 -4.446 1.00 1.00 N ATOM 59 CA GLY A 6 -3.032 -1.772 -5.372 1.00 1.00 C ATOM 60 C GLY A 6 -2.888 -0.268 -5.222 1.00 1.00 C ATOM 61 O GLY A 6 -2.206 0.377 -6.019 1.00 1.00 O ATOM 0 H GLY A 6 -3.590 -2.910 -3.703 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.062 -2.243 -5.214 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.336 -2.003 -6.393 1.00 1.00 H new ATOM 65 N GLN A 7 -3.529 0.294 -4.201 1.00 1.00 N ATOM 66 CA GLN A 7 -3.465 1.731 -3.956 1.00 1.00 C ATOM 67 C GLN A 7 -2.085 2.145 -3.455 1.00 1.00 C ATOM 68 O GLN A 7 -1.560 1.558 -2.508 1.00 1.00 O ATOM 69 CB GLN A 7 -4.534 2.144 -2.943 1.00 1.00 C ATOM 70 CG GLN A 7 -5.098 3.534 -3.189 1.00 1.00 C ATOM 71 CD GLN A 7 -6.613 3.550 -3.240 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.247 2.538 -3.540 1.00 1.00 O ATOM 73 NE2 GLN A 7 -7.204 4.702 -2.945 1.00 1.00 N ATOM 0 H GLN A 7 -4.098 -0.223 -3.531 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.651 2.240 -4.901 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.348 1.420 -2.971 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.107 2.106 -1.941 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.758 4.204 -2.400 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.703 3.921 -4.128 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -6.641 5.517 -2.702 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -8.221 4.772 -2.962 1.00 1.00 H new ATOM 82 N ARG A 8 -1.504 3.161 -4.086 1.00 1.00 N ATOM 83 CA ARG A 8 -0.190 3.646 -3.683 1.00 1.00 C ATOM 84 C ARG A 8 -0.271 4.356 -2.332 1.00 1.00 C ATOM 85 O ARG A 8 -0.878 5.420 -2.211 1.00 1.00 O ATOM 86 CB ARG A 8 0.405 4.572 -4.757 1.00 1.00 C ATOM 87 CG ARG A 8 -0.147 5.991 -4.747 1.00 1.00 C ATOM 88 CD ARG A 8 -0.282 6.548 -6.156 1.00 1.00 C ATOM 89 NE ARG A 8 -1.644 6.993 -6.440 1.00 1.00 N ATOM 90 CZ ARG A 8 -2.642 6.171 -6.755 1.00 1.00 C ATOM 91 NH1 ARG A 8 -2.435 4.862 -6.827 1.00 1.00 N ATOM 92 NH2 ARG A 8 -3.851 6.658 -6.999 1.00 1.00 N ATOM 0 H ARG A 8 -1.919 3.661 -4.872 1.00 1.00 H new ATOM 0 HA ARG A 8 0.474 2.788 -3.577 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.486 4.616 -4.622 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.224 4.133 -5.738 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -1.120 6.000 -4.256 1.00 1.00 H new ATOM 0 HG3 ARG A 8 0.511 6.634 -4.162 1.00 1.00 H new ATOM 0 HD2 ARG A 8 0.406 7.384 -6.283 1.00 1.00 H new ATOM 0 HD3 ARG A 8 0.008 5.784 -6.877 1.00 1.00 H new ATOM 0 HE ARG A 8 -1.842 7.993 -6.394 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -1.507 4.481 -6.640 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -3.204 4.237 -7.069 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -4.016 7.663 -6.945 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -4.616 6.028 -7.240 1.00 1.00 H new ATOM 106 N CYS A 9 0.336 3.755 -1.313 1.00 1.00 N ATOM 107 CA CYS A 9 0.326 4.328 0.031 1.00 1.00 C ATOM 108 C CYS A 9 0.758 5.791 0.001 1.00 1.00 C ATOM 109 O CYS A 9 1.677 6.158 -0.730 1.00 1.00 O ATOM 110 CB CYS A 9 1.247 3.531 0.956 1.00 1.00 C ATOM 111 SG CYS A 9 0.503 2.003 1.616 1.00 1.00 S ATOM 0 H CYS A 9 0.841 2.872 -1.391 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.693 4.276 0.413 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.156 3.274 0.412 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.544 4.167 1.790 1.00 1.00 H new ATOM 116 N ALA A 10 0.088 6.623 0.797 1.00 1.00 N ATOM 117 CA ALA A 10 0.400 8.050 0.861 1.00 1.00 C ATOM 118 C ALA A 10 1.906 8.286 0.927 1.00 1.00 C ATOM 119 O ALA A 10 2.635 7.497 1.525 1.00 1.00 O ATOM 120 CB ALA A 10 -0.288 8.689 2.057 1.00 1.00 C ATOM 0 H ALA A 10 -0.676 6.333 1.408 1.00 1.00 H new ATOM 0 HA ALA A 10 0.027 8.516 -0.051 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.046 9.751 2.091 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.367 8.565 1.965 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.055 8.209 2.973 1.00 1.00 H new ATOM 126 N SER A 11 2.357 9.381 0.310 1.00 1.00 N ATOM 127 CA SER A 11 3.771 9.745 0.284 1.00 1.00 C ATOM 128 C SER A 11 4.673 8.510 0.200 1.00 1.00 C ATOM 129 O SER A 11 4.996 8.045 -0.893 1.00 1.00 O ATOM 130 CB SER A 11 4.097 10.590 1.508 1.00 1.00 C ATOM 131 OG SER A 11 5.448 10.435 1.909 1.00 1.00 O ATOM 0 H SER A 11 1.752 10.037 -0.184 1.00 1.00 H new ATOM 0 HA SER A 11 3.965 10.331 -0.614 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.901 11.639 1.288 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.439 10.308 2.330 1.00 1.00 H new ATOM 0 HG SER A 11 5.484 9.929 2.747 1.00 1.00 H new ATOM 137 N TRP A 12 5.070 7.977 1.353 1.00 1.00 N ATOM 138 CA TRP A 12 5.923 6.795 1.390 1.00 1.00 C ATOM 139 C TRP A 12 5.538 5.861 2.543 1.00 1.00 C ATOM 140 O TRP A 12 6.211 4.859 2.782 1.00 1.00 O ATOM 141 CB TRP A 12 7.391 7.205 1.522 1.00 1.00 C ATOM 142 CG TRP A 12 7.638 8.192 2.623 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.836 8.438 3.701 1.00 1.00 C ATOM 144 CD2 TRP A 12 8.766 9.065 2.755 1.00 1.00 C ATOM 145 NE1 TRP A 12 7.395 9.411 4.493 1.00 1.00 N ATOM 146 CE2 TRP A 12 8.580 9.812 3.934 1.00 1.00 C ATOM 147 CE3 TRP A 12 9.914 9.288 1.990 1.00 1.00 C ATOM 148 CZ2 TRP A 12 9.501 10.764 4.365 1.00 1.00 C ATOM 149 CZ3 TRP A 12 10.827 10.234 2.419 1.00 1.00 C ATOM 150 CH2 TRP A 12 10.616 10.961 3.597 1.00 1.00 C ATOM 0 H TRP A 12 4.815 8.344 2.270 1.00 1.00 H new ATOM 0 HA TRP A 12 5.781 6.255 0.454 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.994 6.315 1.700 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.727 7.634 0.578 1.00 1.00 H new ATOM 0 HD1 TRP A 12 5.899 7.940 3.901 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.993 9.776 5.357 1.00 1.00 H new ATOM 0 HE3 TRP A 12 10.085 8.732 1.080 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 9.341 11.326 5.273 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 11.718 10.415 1.836 1.00 1.00 H new ATOM 0 HH2 TRP A 12 11.348 11.692 3.906 1.00 1.00 H new ATOM 161 N SER A 13 4.455 6.194 3.253 1.00 1.00 N ATOM 162 CA SER A 13 3.983 5.387 4.379 1.00 1.00 C ATOM 163 C SER A 13 3.013 6.188 5.243 1.00 1.00 C ATOM 164 O SER A 13 3.381 6.682 6.309 1.00 1.00 O ATOM 165 CB SER A 13 5.157 4.904 5.238 1.00 1.00 C ATOM 166 OG SER A 13 6.193 5.870 5.275 1.00 1.00 O ATOM 0 H SER A 13 3.888 7.021 3.065 1.00 1.00 H new ATOM 0 HA SER A 13 3.466 4.518 3.971 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.810 4.699 6.251 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.543 3.967 4.837 1.00 1.00 H new ATOM 0 HG SER A 13 6.930 5.539 5.830 1.00 1.00 H new ATOM 172 N GLY A 14 1.776 6.322 4.775 1.00 1.00 N ATOM 173 CA GLY A 14 0.781 7.073 5.520 1.00 1.00 C ATOM 174 C GLY A 14 -0.375 6.217 5.996 1.00 1.00 C ATOM 175 O GLY A 14 -0.261 5.525 7.008 1.00 1.00 O ATOM 0 H GLY A 14 1.445 5.925 3.896 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.257 7.541 6.381 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.396 7.877 4.893 1.00 1.00 H new ATOM 179 N PRO A 15 -1.518 6.250 5.290 1.00 1.00 N ATOM 180 CA PRO A 15 -2.697 5.473 5.670 1.00 1.00 C ATOM 181 C PRO A 15 -2.390 3.992 5.858 1.00 1.00 C ATOM 182 O PRO A 15 -1.335 3.508 5.448 1.00 1.00 O ATOM 183 CB PRO A 15 -3.658 5.673 4.496 1.00 1.00 C ATOM 184 CG PRO A 15 -3.239 6.959 3.874 1.00 1.00 C ATOM 185 CD PRO A 15 -1.753 7.055 4.076 1.00 1.00 C ATOM 0 HA PRO A 15 -3.100 5.801 6.628 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.590 4.850 3.785 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -4.693 5.717 4.835 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.490 6.979 2.814 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.751 7.802 4.339 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.205 6.660 3.220 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.432 8.088 4.211 1.00 1.00 H new ATOM 193 N TYR A 16 -3.324 3.278 6.476 1.00 1.00 N ATOM 194 CA TYR A 16 -3.163 1.849 6.717 1.00 1.00 C ATOM 195 C TYR A 16 -4.101 1.045 5.824 1.00 1.00 C ATOM 196 O TYR A 16 -5.186 1.507 5.471 1.00 1.00 O ATOM 197 CB TYR A 16 -3.433 1.523 8.187 1.00 1.00 C ATOM 198 CG TYR A 16 -2.781 2.487 9.152 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.473 2.913 8.961 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.474 2.971 10.255 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.873 3.793 9.841 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.882 3.853 11.139 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.581 4.261 10.928 1.00 1.00 C ATOM 204 OH TYR A 16 -0.988 5.138 11.806 1.00 1.00 O ATOM 0 H TYR A 16 -4.202 3.666 6.820 1.00 1.00 H new ATOM 0 HA TYR A 16 -2.135 1.576 6.478 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.509 1.523 8.358 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.077 0.515 8.398 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.915 2.550 8.110 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.492 2.653 10.424 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.146 4.113 9.678 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.435 4.221 11.991 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.623 5.371 12.515 1.00 1.00 H new ATOM 214 N CYS A 17 -3.676 -0.159 5.458 1.00 1.00 N ATOM 215 CA CYS A 17 -4.479 -1.024 4.602 1.00 1.00 C ATOM 216 C CYS A 17 -5.693 -1.563 5.353 1.00 1.00 C ATOM 217 O CYS A 17 -5.701 -1.617 6.583 1.00 1.00 O ATOM 218 CB CYS A 17 -3.628 -2.181 4.072 1.00 1.00 C ATOM 219 SG CYS A 17 -3.388 -2.156 2.266 1.00 1.00 S ATOM 0 H CYS A 17 -2.781 -0.558 5.740 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.836 -0.432 3.760 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.653 -2.154 4.558 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -4.098 -3.123 4.353 1.00 1.00 H new ATOM 224 N CYS A 18 -6.718 -1.957 4.604 1.00 1.00 N ATOM 225 CA CYS A 18 -7.939 -2.489 5.194 1.00 1.00 C ATOM 226 C CYS A 18 -7.656 -3.771 5.966 1.00 1.00 C ATOM 227 O CYS A 18 -6.509 -4.200 6.086 1.00 1.00 O ATOM 228 CB CYS A 18 -8.982 -2.757 4.107 1.00 1.00 C ATOM 229 SG CYS A 18 -9.442 -1.287 3.133 1.00 1.00 S ATOM 0 H CYS A 18 -6.726 -1.917 3.585 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.330 -1.745 5.888 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.598 -3.521 3.431 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.879 -3.165 4.573 1.00 1.00 H new ATOM 234 N ASP A 19 -8.715 -4.375 6.485 1.00 1.00 N ATOM 235 CA ASP A 19 -8.597 -5.612 7.248 1.00 1.00 C ATOM 236 C ASP A 19 -8.301 -6.791 6.326 1.00 1.00 C ATOM 237 O ASP A 19 -9.214 -7.401 5.770 1.00 1.00 O ATOM 238 CB ASP A 19 -9.881 -5.875 8.036 1.00 1.00 C ATOM 239 CG ASP A 19 -9.609 -6.479 9.400 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.960 -5.806 10.228 1.00 1.00 O ATOM 241 OD2 ASP A 19 -10.045 -7.625 9.640 1.00 1.00 O ATOM 0 H ASP A 19 -9.670 -4.028 6.392 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.768 -5.502 7.947 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -10.427 -4.940 8.158 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.523 -6.547 7.466 1.00 1.00 H new ATOM 246 N GLY A 20 -7.019 -7.104 6.168 1.00 1.00 N ATOM 247 CA GLY A 20 -6.625 -8.207 5.311 1.00 1.00 C ATOM 248 C GLY A 20 -5.593 -7.804 4.273 1.00 1.00 C ATOM 249 O GLY A 20 -5.033 -8.656 3.584 1.00 1.00 O ATOM 0 H GLY A 20 -6.246 -6.614 6.618 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.221 -9.012 5.925 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.507 -8.602 4.806 1.00 1.00 H new ATOM 253 N TYR A 21 -5.339 -6.502 4.159 1.00 1.00 N ATOM 254 CA TYR A 21 -4.368 -5.995 3.198 1.00 1.00 C ATOM 255 C TYR A 21 -3.136 -5.445 3.912 1.00 1.00 C ATOM 256 O TYR A 21 -3.129 -5.301 5.134 1.00 1.00 O ATOM 257 CB TYR A 21 -4.995 -4.900 2.331 1.00 1.00 C ATOM 258 CG TYR A 21 -6.327 -5.284 1.723 1.00 1.00 C ATOM 259 CD1 TYR A 21 -7.438 -5.516 2.525 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.472 -5.411 0.348 1.00 1.00 C ATOM 261 CE1 TYR A 21 -8.656 -5.866 1.972 1.00 1.00 C ATOM 262 CE2 TYR A 21 -7.687 -5.760 -0.212 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.775 -5.986 0.604 1.00 1.00 C ATOM 264 OH TYR A 21 -9.986 -6.333 0.050 1.00 1.00 O ATOM 0 H TYR A 21 -5.793 -5.781 4.721 1.00 1.00 H new ATOM 0 HA TYR A 21 -4.062 -6.824 2.559 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -5.128 -4.003 2.936 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.302 -4.644 1.530 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -7.349 -5.421 3.597 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -5.622 -5.234 -0.294 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -9.510 -6.044 2.609 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -7.783 -5.855 -1.283 1.00 1.00 H new ATOM 0 HH TYR A 21 -9.900 -6.373 -0.925 1.00 1.00 H new ATOM 274 N TYR A 22 -2.103 -5.130 3.139 1.00 1.00 N ATOM 275 CA TYR A 22 -0.867 -4.586 3.686 1.00 1.00 C ATOM 276 C TYR A 22 -0.296 -3.530 2.750 1.00 1.00 C ATOM 277 O TYR A 22 -0.803 -3.328 1.645 1.00 1.00 O ATOM 278 CB TYR A 22 0.167 -5.694 3.905 1.00 1.00 C ATOM 279 CG TYR A 22 -0.370 -6.906 4.635 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.994 -6.776 5.869 1.00 1.00 C ATOM 281 CD2 TYR A 22 -0.247 -8.179 4.093 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.482 -7.880 6.542 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.731 -9.288 4.761 1.00 1.00 C ATOM 284 CZ TYR A 22 -1.348 -9.133 5.984 1.00 1.00 C ATOM 285 OH TYR A 22 -1.831 -10.236 6.651 1.00 1.00 O ATOM 0 H TYR A 22 -2.098 -5.243 2.125 1.00 1.00 H new ATOM 0 HA TYR A 22 -1.096 -4.128 4.648 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.556 -6.009 2.937 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.006 -5.286 4.468 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.100 -5.796 6.310 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.234 -8.304 3.134 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.966 -7.761 7.500 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.626 -10.271 4.327 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.657 -11.041 6.120 1.00 1.00 H new ATOM 295 N CYS A 23 0.761 -2.862 3.194 1.00 1.00 N ATOM 296 CA CYS A 23 1.398 -1.826 2.391 1.00 1.00 C ATOM 297 C CYS A 23 2.837 -2.199 2.051 1.00 1.00 C ATOM 298 O CYS A 23 3.693 -2.284 2.931 1.00 1.00 O ATOM 299 CB CYS A 23 1.367 -0.486 3.130 1.00 1.00 C ATOM 300 SG CYS A 23 2.103 0.895 2.195 1.00 1.00 S ATOM 0 H CYS A 23 1.195 -3.019 4.104 1.00 1.00 H new ATOM 0 HA CYS A 23 0.839 -1.734 1.460 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.333 -0.239 3.369 1.00 1.00 H new ATOM 0 HB3 CYS A 23 1.896 -0.593 4.077 1.00 1.00 H new ATOM 305 N SER A 24 3.097 -2.411 0.765 1.00 1.00 N ATOM 306 CA SER A 24 4.432 -2.765 0.301 1.00 1.00 C ATOM 307 C SER A 24 5.178 -1.521 -0.168 1.00 1.00 C ATOM 308 O SER A 24 4.587 -0.450 -0.303 1.00 1.00 O ATOM 309 CB SER A 24 4.349 -3.786 -0.835 1.00 1.00 C ATOM 310 OG SER A 24 4.430 -5.110 -0.338 1.00 1.00 O ATOM 0 H SER A 24 2.398 -2.343 0.025 1.00 1.00 H new ATOM 0 HA SER A 24 4.979 -3.210 1.132 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.413 -3.655 -1.378 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.157 -3.611 -1.545 1.00 1.00 H new ATOM 0 HG SER A 24 4.373 -5.743 -1.084 1.00 1.00 H new ATOM 316 N CYS A 25 6.475 -1.665 -0.413 1.00 1.00 N ATOM 317 CA CYS A 25 7.289 -0.543 -0.864 1.00 1.00 C ATOM 318 C CYS A 25 8.459 -1.020 -1.718 1.00 1.00 C ATOM 319 O CYS A 25 9.615 -0.957 -1.300 1.00 1.00 O ATOM 320 CB CYS A 25 7.805 0.251 0.338 1.00 1.00 C ATOM 321 SG CYS A 25 6.487 0.932 1.398 1.00 1.00 S ATOM 0 H CYS A 25 6.983 -2.543 -0.308 1.00 1.00 H new ATOM 0 HA CYS A 25 6.662 0.104 -1.478 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.444 -0.395 0.940 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.428 1.070 -0.021 1.00 1.00 H new ATOM 326 N ARG A 26 8.150 -1.493 -2.921 1.00 1.00 N ATOM 327 CA ARG A 26 9.174 -1.976 -3.839 1.00 1.00 C ATOM 328 C ARG A 26 10.136 -0.851 -4.212 1.00 1.00 C ATOM 329 O ARG A 26 10.180 0.184 -3.548 1.00 1.00 O ATOM 330 CB ARG A 26 8.525 -2.558 -5.098 1.00 1.00 C ATOM 331 CG ARG A 26 9.015 -3.954 -5.445 1.00 1.00 C ATOM 332 CD ARG A 26 8.770 -4.283 -6.909 1.00 1.00 C ATOM 333 NE ARG A 26 8.624 -5.720 -7.129 1.00 1.00 N ATOM 334 CZ ARG A 26 8.251 -6.258 -8.289 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.985 -5.483 -9.333 1.00 1.00 N ATOM 336 NH2 ARG A 26 8.144 -7.575 -8.404 1.00 1.00 N ATOM 0 H ARG A 26 7.198 -1.552 -3.283 1.00 1.00 H new ATOM 0 HA ARG A 26 9.741 -2.762 -3.340 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.444 -2.585 -4.960 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.722 -1.893 -5.939 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.080 -4.031 -5.227 1.00 1.00 H new ATOM 0 HG3 ARG A 26 8.507 -4.686 -4.817 1.00 1.00 H new ATOM 0 HD2 ARG A 26 7.871 -3.771 -7.250 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.598 -3.906 -7.509 1.00 1.00 H new ATOM 0 HE ARG A 26 8.819 -6.348 -6.349 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.066 -4.470 -9.250 1.00 1.00 H new ATOM 0 HH12 ARG A 26 7.700 -5.901 -10.219 1.00 1.00 H new ATOM 0 HH21 ARG A 26 8.347 -8.175 -7.605 1.00 1.00 H new ATOM 0 HH22 ARG A 26 7.858 -7.988 -9.292 1.00 1.00 H new ATOM 350 N SER A 27 10.907 -1.060 -5.275 1.00 1.00 N ATOM 351 CA SER A 27 11.866 -0.065 -5.732 1.00 1.00 C ATOM 352 C SER A 27 11.158 1.155 -6.317 1.00 1.00 C ATOM 353 O SER A 27 11.272 1.441 -7.509 1.00 1.00 O ATOM 354 CB SER A 27 12.806 -0.675 -6.775 1.00 1.00 C ATOM 355 OG SER A 27 13.926 -1.285 -6.158 1.00 1.00 O ATOM 0 H SER A 27 10.885 -1.912 -5.836 1.00 1.00 H new ATOM 0 HA SER A 27 12.450 0.260 -4.871 1.00 1.00 H new ATOM 0 HB2 SER A 27 12.266 -1.414 -7.368 1.00 1.00 H new ATOM 0 HB3 SER A 27 13.143 0.100 -7.463 1.00 1.00 H new ATOM 0 HG SER A 27 14.510 -1.668 -6.846 1.00 1.00 H new ATOM 361 N MET A 28 10.427 1.873 -5.469 1.00 1.00 N ATOM 362 CA MET A 28 9.701 3.063 -5.900 1.00 1.00 C ATOM 363 C MET A 28 9.457 4.005 -4.723 1.00 1.00 C ATOM 364 O MET A 28 9.458 3.581 -3.567 1.00 1.00 O ATOM 365 CB MET A 28 8.366 2.670 -6.537 1.00 1.00 C ATOM 366 CG MET A 28 8.470 2.323 -8.013 1.00 1.00 C ATOM 367 SD MET A 28 9.095 3.692 -9.008 1.00 1.00 S ATOM 368 CE MET A 28 10.219 2.830 -10.104 1.00 1.00 C ATOM 0 H MET A 28 10.322 1.651 -4.479 1.00 1.00 H new ATOM 0 HA MET A 28 10.310 3.582 -6.640 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.956 1.815 -6.000 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.660 3.491 -6.415 1.00 1.00 H new ATOM 0 HG2 MET A 28 9.127 1.462 -8.134 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.488 2.029 -8.383 1.00 1.00 H new ATOM 0 HE1 MET A 28 10.258 3.345 -11.064 1.00 1.00 H new ATOM 0 HE2 MET A 28 11.215 2.811 -9.662 1.00 1.00 H new ATOM 0 HE3 MET A 28 9.869 1.809 -10.254 1.00 1.00 H new ATOM 378 N PRO A 29 9.242 5.303 -5.003 1.00 1.00 N ATOM 379 CA PRO A 29 8.995 6.304 -3.960 1.00 1.00 C ATOM 380 C PRO A 29 7.611 6.162 -3.335 1.00 1.00 C ATOM 381 O PRO A 29 7.463 6.208 -2.114 1.00 1.00 O ATOM 382 CB PRO A 29 9.110 7.631 -4.711 1.00 1.00 C ATOM 383 CG PRO A 29 8.745 7.302 -6.117 1.00 1.00 C ATOM 384 CD PRO A 29 9.223 5.894 -6.354 1.00 1.00 C ATOM 0 HA PRO A 29 9.692 6.207 -3.128 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.440 8.382 -4.293 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.120 8.035 -4.648 1.00 1.00 H new ATOM 0 HG2 PRO A 29 7.668 7.379 -6.268 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.215 7.996 -6.814 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.554 5.350 -7.020 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.212 5.878 -6.813 1.00 1.00 H new ATOM 392 N TYR A 30 6.601 5.989 -4.181 1.00 1.00 N ATOM 393 CA TYR A 30 5.228 5.839 -3.712 1.00 1.00 C ATOM 394 C TYR A 30 4.938 4.389 -3.335 1.00 1.00 C ATOM 395 O TYR A 30 4.808 3.528 -4.205 1.00 1.00 O ATOM 396 CB TYR A 30 4.244 6.301 -4.792 1.00 1.00 C ATOM 397 CG TYR A 30 3.209 7.296 -4.306 1.00 1.00 C ATOM 398 CD1 TYR A 30 2.776 7.299 -2.985 1.00 1.00 C ATOM 399 CD2 TYR A 30 2.665 8.233 -5.176 1.00 1.00 C ATOM 400 CE1 TYR A 30 1.831 8.209 -2.547 1.00 1.00 C ATOM 401 CE2 TYR A 30 1.721 9.145 -4.745 1.00 1.00 C ATOM 402 CZ TYR A 30 1.307 9.129 -3.430 1.00 1.00 C ATOM 403 OH TYR A 30 0.367 10.035 -2.997 1.00 1.00 O ATOM 0 H TYR A 30 6.707 5.949 -5.195 1.00 1.00 H new ATOM 0 HA TYR A 30 5.104 6.460 -2.825 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.806 6.749 -5.611 1.00 1.00 H new ATOM 0 HB3 TYR A 30 3.731 5.429 -5.197 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.184 6.580 -2.290 1.00 1.00 H new ATOM 0 HD2 TYR A 30 2.986 8.249 -6.207 1.00 1.00 H new ATOM 0 HE1 TYR A 30 1.505 8.199 -1.517 1.00 1.00 H new ATOM 0 HE2 TYR A 30 1.309 9.867 -5.435 1.00 1.00 H new ATOM 0 HH TYR A 30 0.102 10.613 -3.743 1.00 1.00 H new ATOM 413 N CYS A 31 4.830 4.126 -2.037 1.00 1.00 N ATOM 414 CA CYS A 31 4.549 2.793 -1.551 1.00 1.00 C ATOM 415 C CYS A 31 3.199 2.313 -2.076 1.00 1.00 C ATOM 416 O CYS A 31 2.426 3.101 -2.621 1.00 1.00 O ATOM 417 CB CYS A 31 4.563 2.808 -0.027 1.00 1.00 C ATOM 418 SG CYS A 31 6.235 2.821 0.700 1.00 1.00 S ATOM 0 H CYS A 31 4.935 4.828 -1.304 1.00 1.00 H new ATOM 0 HA CYS A 31 5.312 2.102 -1.909 1.00 1.00 H new ATOM 0 HB2 CYS A 31 4.019 3.686 0.322 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.026 1.933 0.340 1.00 1.00 H new ATOM 423 N ARG A 32 2.918 1.023 -1.927 1.00 1.00 N ATOM 424 CA ARG A 32 1.657 0.465 -2.408 1.00 1.00 C ATOM 425 C ARG A 32 0.938 -0.325 -1.323 1.00 1.00 C ATOM 426 O ARG A 32 1.527 -0.690 -0.308 1.00 1.00 O ATOM 427 CB ARG A 32 1.892 -0.432 -3.628 1.00 1.00 C ATOM 428 CG ARG A 32 3.277 -1.063 -3.677 1.00 1.00 C ATOM 429 CD ARG A 32 3.247 -2.426 -4.349 1.00 1.00 C ATOM 430 NE ARG A 32 4.297 -2.563 -5.356 1.00 1.00 N ATOM 431 CZ ARG A 32 4.484 -3.659 -6.088 1.00 1.00 C ATOM 432 NH1 ARG A 32 3.696 -4.715 -5.928 1.00 1.00 N ATOM 433 NH2 ARG A 32 5.462 -3.700 -6.983 1.00 1.00 N ATOM 0 H ARG A 32 3.540 0.348 -1.481 1.00 1.00 H new ATOM 0 HA ARG A 32 1.024 1.305 -2.694 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.143 -1.224 -3.633 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.740 0.156 -4.533 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.958 -0.405 -4.217 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.667 -1.164 -2.664 1.00 1.00 H new ATOM 0 HD2 ARG A 32 3.364 -3.205 -3.595 1.00 1.00 H new ATOM 0 HD3 ARG A 32 2.274 -2.578 -4.816 1.00 1.00 H new ATOM 0 HE ARG A 32 4.923 -1.772 -5.507 1.00 1.00 H new ATOM 0 HH11 ARG A 32 2.942 -4.690 -5.241 1.00 1.00 H new ATOM 0 HH12 ARG A 32 3.844 -5.552 -6.492 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.071 -2.892 -7.110 1.00 1.00 H new ATOM 0 HH22 ARG A 32 5.605 -4.540 -7.544 1.00 1.00 H new ATOM 447 N CYS A 33 -0.343 -0.587 -1.560 1.00 1.00 N ATOM 448 CA CYS A 33 -1.167 -1.341 -0.623 1.00 1.00 C ATOM 449 C CYS A 33 -2.018 -2.361 -1.373 1.00 1.00 C ATOM 450 O CYS A 33 -2.754 -2.003 -2.295 1.00 1.00 O ATOM 451 CB CYS A 33 -2.062 -0.395 0.182 1.00 1.00 C ATOM 452 SG CYS A 33 -2.020 -0.683 1.980 1.00 1.00 S ATOM 0 H CYS A 33 -0.836 -0.285 -2.400 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.511 -1.871 0.068 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.759 0.633 -0.018 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.089 -0.498 -0.168 1.00 1.00 H new ATOM 457 N ARG A 34 -1.908 -3.629 -0.980 1.00 1.00 N ATOM 458 CA ARG A 34 -2.663 -4.699 -1.631 1.00 1.00 C ATOM 459 C ARG A 34 -3.072 -5.770 -0.628 1.00 1.00 C ATOM 460 O ARG A 34 -2.650 -5.747 0.523 1.00 1.00 O ATOM 461 CB ARG A 34 -1.827 -5.337 -2.743 1.00 1.00 C ATOM 462 CG ARG A 34 -1.649 -4.450 -3.964 1.00 1.00 C ATOM 463 CD ARG A 34 -2.649 -4.797 -5.055 1.00 1.00 C ATOM 464 NE ARG A 34 -2.521 -6.185 -5.494 1.00 1.00 N ATOM 465 CZ ARG A 34 -1.568 -6.617 -6.317 1.00 1.00 C ATOM 466 NH1 ARG A 34 -0.659 -5.774 -6.792 1.00 1.00 N ATOM 467 NH2 ARG A 34 -1.524 -7.895 -6.666 1.00 1.00 N ATOM 0 H ARG A 34 -1.306 -3.940 -0.217 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.564 -4.259 -2.059 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -0.845 -5.592 -2.345 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -2.299 -6.270 -3.050 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -1.770 -3.405 -3.677 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -0.635 -4.559 -4.350 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -3.661 -4.625 -4.688 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -2.502 -4.132 -5.906 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.202 -6.862 -5.150 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -0.688 -4.790 -6.527 1.00 1.00 H new ATOM 0 HH12 ARG A 34 0.069 -6.111 -7.422 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -2.220 -8.547 -6.304 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -0.794 -8.227 -7.297 1.00 1.00 H new ATOM 481 N ASN A 35 -3.891 -6.716 -1.076 1.00 1.00 N ATOM 482 CA ASN A 35 -4.350 -7.802 -0.215 1.00 1.00 C ATOM 483 C ASN A 35 -3.173 -8.479 0.483 1.00 1.00 C ATOM 484 O ASN A 35 -2.014 -8.200 0.177 1.00 1.00 O ATOM 485 CB ASN A 35 -5.136 -8.831 -1.030 1.00 1.00 C ATOM 486 CG ASN A 35 -6.156 -9.576 -0.192 1.00 1.00 C ATOM 487 OD1 ASN A 35 -6.114 -10.902 -0.249 1.00 1.00 O flip ATOM 488 ND2 ASN A 35 -6.972 -8.967 0.500 1.00 1.00 N flip ATOM 0 H ASN A 35 -4.251 -6.753 -2.030 1.00 1.00 H new ATOM 0 HA ASN A 35 -5.004 -7.376 0.546 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.644 -8.327 -1.853 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.443 -9.546 -1.473 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.968 -7.947 0.514 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.652 -9.482 1.059 1.00 1.00 H new ATOM 495 N ASN A 36 -3.478 -9.366 1.424 1.00 1.00 N ATOM 496 CA ASN A 36 -2.439 -10.076 2.166 1.00 1.00 C ATOM 497 C ASN A 36 -1.715 -11.075 1.271 1.00 1.00 C ATOM 498 O ASN A 36 -0.598 -10.824 0.819 1.00 1.00 O ATOM 499 CB ASN A 36 -3.023 -10.791 3.394 1.00 1.00 C ATOM 500 CG ASN A 36 -4.438 -11.299 3.178 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.780 -11.775 2.095 1.00 1.00 O ATOM 502 ND2 ASN A 36 -5.267 -11.200 4.210 1.00 1.00 N ATOM 0 H ASN A 36 -4.431 -9.611 1.691 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.719 -9.334 2.512 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -2.379 -11.630 3.657 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -3.016 -10.106 4.242 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -6.230 -11.525 4.124 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.941 -10.799 5.089 1.00 1.00 H new ATOM 509 N SER A 37 -2.357 -12.206 1.020 1.00 1.00 N ATOM 510 CA SER A 37 -1.777 -13.247 0.180 1.00 1.00 C ATOM 511 C SER A 37 -2.796 -13.759 -0.833 1.00 1.00 C ATOM 512 O SER A 37 -3.885 -14.197 -0.405 1.00 1.00 O ATOM 513 CB SER A 37 -1.271 -14.405 1.042 1.00 1.00 C ATOM 514 OG SER A 37 0.086 -14.216 1.404 1.00 1.00 O ATOM 0 H SER A 37 -3.283 -12.428 1.387 1.00 1.00 H new ATOM 0 HA SER A 37 -0.937 -12.814 -0.363 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.882 -14.488 1.941 1.00 1.00 H new ATOM 0 HB3 SER A 37 -1.378 -15.343 0.496 1.00 1.00 H new ATOM 0 HG SER A 37 0.385 -14.969 1.956 1.00 1.00 H new HETATM 520 N NH2 A 38 -2.497 -13.718 -2.045 1.00 1.00 N TER 521 NH2 A 38