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 Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -3.56! C(o=-3.6!,f=-9.6!) USER MOD Single : A 11 SER OG : rot -117:sc= -0.865 USER MOD Single : A 13 SER OG : rot 56:sc= 0.293 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 -169:sc= -0.0819 (180deg=-0.206) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN :FLIP amide:sc= 0.777 F(o=-0.71,f=0.78) USER MOD Single : A 36 ASN : amide:sc= -0.0299 K(o=-0.03,f=-8!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -13.393 4.605 7.024 1.00 1.00 N ATOM 2 CA ALA A 1 -12.909 4.499 5.623 1.00 1.00 C ATOM 3 C ALA A 1 -11.445 4.074 5.581 1.00 1.00 C ATOM 4 O ALA A 1 -10.614 4.599 6.321 1.00 1.00 O ATOM 5 CB ALA A 1 -13.094 5.825 4.901 1.00 1.00 C ATOM 0 H1 ALA A 1 -14.392 4.896 7.025 1.00 1.00 H new ATOM 0 H2 ALA A 1 -13.300 3.682 7.494 1.00 1.00 H new ATOM 0 H3 ALA A 1 -12.826 5.312 7.535 1.00 1.00 H new ATOM 0 HA ALA A 1 -13.499 3.735 5.116 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -12.736 5.734 3.876 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -14.151 6.091 4.894 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -12.528 6.602 5.416 1.00 1.00 H new ATOM 13 N CYS A 2 -11.137 3.119 4.710 1.00 1.00 N ATOM 14 CA CYS A 2 -9.773 2.622 4.570 1.00 1.00 C ATOM 15 C CYS A 2 -9.376 2.524 3.101 1.00 1.00 C ATOM 16 O CYS A 2 -10.227 2.557 2.213 1.00 1.00 O ATOM 17 CB CYS A 2 -9.634 1.255 5.242 1.00 1.00 C ATOM 18 SG CYS A 2 -10.607 -0.067 4.450 1.00 1.00 S ATOM 0 H CYS A 2 -11.814 2.674 4.090 1.00 1.00 H new ATOM 0 HA CYS A 2 -9.104 3.329 5.060 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.583 0.967 5.242 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.940 1.342 6.284 1.00 1.00 H new ATOM 23 N VAL A 3 -8.076 2.402 2.854 1.00 1.00 N ATOM 24 CA VAL A 3 -7.562 2.298 1.494 1.00 1.00 C ATOM 25 C VAL A 3 -6.883 0.952 1.267 1.00 1.00 C ATOM 26 O VAL A 3 -6.556 0.243 2.218 1.00 1.00 O ATOM 27 CB VAL A 3 -6.559 3.424 1.185 1.00 1.00 C ATOM 28 CG1 VAL A 3 -7.284 4.747 0.987 1.00 1.00 C ATOM 29 CG2 VAL A 3 -5.522 3.537 2.293 1.00 1.00 C ATOM 0 H VAL A 3 -7.359 2.373 3.579 1.00 1.00 H new ATOM 0 HA VAL A 3 -8.417 2.390 0.824 1.00 1.00 H new ATOM 0 HB VAL A 3 -6.041 3.178 0.258 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -6.558 5.531 0.770 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -7.982 4.658 0.155 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -7.831 5.001 1.895 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -4.822 4.338 2.056 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -6.021 3.758 3.237 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.979 2.596 2.381 1.00 1.00 H new ATOM 39 N GLY A 4 -6.674 0.607 0.001 1.00 1.00 N ATOM 40 CA GLY A 4 -6.034 -0.654 -0.327 1.00 1.00 C ATOM 41 C GLY A 4 -6.324 -1.105 -1.745 1.00 1.00 C ATOM 42 O GLY A 4 -6.712 -0.302 -2.593 1.00 1.00 O ATOM 0 H GLY A 4 -6.936 1.177 -0.803 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.957 -0.555 -0.195 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.372 -1.421 0.370 1.00 1.00 H new ATOM 46 N ASP A 5 -6.136 -2.396 -2.001 1.00 1.00 N ATOM 47 CA ASP A 5 -6.379 -2.963 -3.323 1.00 1.00 C ATOM 48 C ASP A 5 -5.611 -2.197 -4.400 1.00 1.00 C ATOM 49 O ASP A 5 -6.206 -1.540 -5.254 1.00 1.00 O ATOM 50 CB ASP A 5 -7.875 -2.949 -3.633 1.00 1.00 C ATOM 51 CG ASP A 5 -8.275 -4.040 -4.607 1.00 1.00 C ATOM 52 OD1 ASP A 5 -7.833 -3.985 -5.774 1.00 1.00 O ATOM 53 OD2 ASP A 5 -9.030 -4.950 -4.203 1.00 1.00 O ATOM 0 H ASP A 5 -5.815 -3.071 -1.307 1.00 1.00 H new ATOM 0 HA ASP A 5 -6.023 -3.993 -3.322 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.436 -3.070 -2.706 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -8.148 -1.978 -4.047 1.00 1.00 H new ATOM 58 N GLY A 6 -4.286 -2.287 -4.349 1.00 1.00 N ATOM 59 CA GLY A 6 -3.454 -1.599 -5.320 1.00 1.00 C ATOM 60 C GLY A 6 -3.249 -0.130 -4.990 1.00 1.00 C ATOM 61 O GLY A 6 -2.535 0.576 -5.702 1.00 1.00 O ATOM 0 H GLY A 6 -3.772 -2.825 -3.651 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.484 -2.093 -5.374 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.910 -1.684 -6.306 1.00 1.00 H new ATOM 65 N GLN A 7 -3.875 0.334 -3.911 1.00 1.00 N ATOM 66 CA GLN A 7 -3.755 1.729 -3.496 1.00 1.00 C ATOM 67 C GLN A 7 -2.360 2.023 -2.954 1.00 1.00 C ATOM 68 O GLN A 7 -1.951 1.463 -1.937 1.00 1.00 O ATOM 69 CB GLN A 7 -4.806 2.059 -2.436 1.00 1.00 C ATOM 70 CG GLN A 7 -4.907 3.543 -2.122 1.00 1.00 C ATOM 71 CD GLN A 7 -6.303 4.093 -2.341 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.228 3.791 -1.586 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.463 4.906 -3.379 1.00 1.00 N ATOM 0 H GLN A 7 -4.470 -0.235 -3.309 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.921 2.356 -4.372 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.778 1.701 -2.776 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.569 1.517 -1.520 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.613 3.712 -1.086 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.202 4.091 -2.747 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -5.669 5.130 -3.979 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.380 5.307 -3.576 1.00 1.00 H new ATOM 82 N ARG A 8 -1.632 2.907 -3.631 1.00 1.00 N ATOM 83 CA ARG A 8 -0.287 3.268 -3.199 1.00 1.00 C ATOM 84 C ARG A 8 -0.331 4.094 -1.914 1.00 1.00 C ATOM 85 O ARG A 8 -0.904 5.182 -1.882 1.00 1.00 O ATOM 86 CB ARG A 8 0.457 4.023 -4.311 1.00 1.00 C ATOM 87 CG ARG A 8 0.118 5.505 -4.405 1.00 1.00 C ATOM 88 CD ARG A 8 0.138 5.991 -5.845 1.00 1.00 C ATOM 89 NE ARG A 8 -0.984 6.878 -6.140 1.00 1.00 N ATOM 90 CZ ARG A 8 -1.413 7.149 -7.371 1.00 1.00 C ATOM 91 NH1 ARG A 8 -0.815 6.606 -8.424 1.00 1.00 N ATOM 92 NH2 ARG A 8 -2.442 7.966 -7.549 1.00 1.00 N ATOM 0 H ARG A 8 -1.949 3.383 -4.475 1.00 1.00 H new ATOM 0 HA ARG A 8 0.260 2.349 -2.989 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.530 3.918 -4.149 1.00 1.00 H new ATOM 0 HB3 ARG A 8 0.232 3.550 -5.267 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -0.867 5.682 -3.974 1.00 1.00 H new ATOM 0 HG3 ARG A 8 0.832 6.081 -3.816 1.00 1.00 H new ATOM 0 HD2 ARG A 8 1.074 6.515 -6.038 1.00 1.00 H new ATOM 0 HD3 ARG A 8 0.108 5.133 -6.517 1.00 1.00 H new ATOM 0 HE ARG A 8 -1.468 7.316 -5.356 1.00 1.00 H new ATOM 0 HH11 ARG A 8 -0.022 5.977 -8.293 1.00 1.00 H new ATOM 0 HH12 ARG A 8 -1.148 6.817 -9.365 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.905 8.387 -6.743 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -2.771 8.174 -8.492 1.00 1.00 H new ATOM 106 N CYS A 9 0.275 3.564 -0.855 1.00 1.00 N ATOM 107 CA CYS A 9 0.302 4.249 0.435 1.00 1.00 C ATOM 108 C CYS A 9 0.791 5.686 0.279 1.00 1.00 C ATOM 109 O CYS A 9 1.727 5.952 -0.475 1.00 1.00 O ATOM 110 CB CYS A 9 1.201 3.494 1.417 1.00 1.00 C ATOM 111 SG CYS A 9 0.517 1.900 1.977 1.00 1.00 S ATOM 0 H CYS A 9 0.754 2.663 -0.864 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.714 4.272 0.828 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.168 3.317 0.946 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.382 4.125 2.287 1.00 1.00 H new ATOM 116 N ALA A 10 0.149 6.609 0.993 1.00 1.00 N ATOM 117 CA ALA A 10 0.512 8.025 0.934 1.00 1.00 C ATOM 118 C ALA A 10 2.024 8.217 0.994 1.00 1.00 C ATOM 119 O ALA A 10 2.725 7.461 1.664 1.00 1.00 O ATOM 120 CB ALA A 10 -0.162 8.788 2.064 1.00 1.00 C ATOM 0 H ALA A 10 -0.627 6.401 1.621 1.00 1.00 H new ATOM 0 HA ALA A 10 0.164 8.420 -0.020 1.00 1.00 H new ATOM 0 HB1 ALA A 10 0.116 9.840 2.009 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.244 8.693 1.972 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.158 8.378 3.022 1.00 1.00 H new ATOM 126 N SER A 11 2.512 9.242 0.289 1.00 1.00 N ATOM 127 CA SER A 11 3.936 9.565 0.244 1.00 1.00 C ATOM 128 C SER A 11 4.812 8.309 0.292 1.00 1.00 C ATOM 129 O SER A 11 5.146 7.738 -0.747 1.00 1.00 O ATOM 130 CB SER A 11 4.274 10.518 1.382 1.00 1.00 C ATOM 131 OG SER A 11 5.618 10.370 1.811 1.00 1.00 O ATOM 0 H SER A 11 1.929 9.869 -0.265 1.00 1.00 H new ATOM 0 HA SER A 11 4.149 10.053 -0.707 1.00 1.00 H new ATOM 0 HB2 SER A 11 4.107 11.545 1.058 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.602 10.335 2.221 1.00 1.00 H new ATOM 0 HG SER A 11 5.633 10.073 2.745 1.00 1.00 H new ATOM 137 N TRP A 12 5.177 7.881 1.497 1.00 1.00 N ATOM 138 CA TRP A 12 6.007 6.692 1.667 1.00 1.00 C ATOM 139 C TRP A 12 5.394 5.737 2.690 1.00 1.00 C ATOM 140 O TRP A 12 5.565 4.522 2.597 1.00 1.00 O ATOM 141 CB TRP A 12 7.428 7.077 2.095 1.00 1.00 C ATOM 142 CG TRP A 12 7.508 8.383 2.830 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.847 8.722 3.976 1.00 1.00 C ATOM 144 CD2 TRP A 12 8.293 9.524 2.467 1.00 1.00 C ATOM 145 NE1 TRP A 12 7.174 10.003 4.347 1.00 1.00 N ATOM 146 CE2 TRP A 12 8.060 10.517 3.437 1.00 1.00 C ATOM 147 CE3 TRP A 12 9.171 9.802 1.416 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.673 11.766 3.386 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.780 11.043 1.367 1.00 1.00 C ATOM 150 CH2 TRP A 12 9.528 12.011 2.347 1.00 1.00 C ATOM 0 H TRP A 12 4.912 8.339 2.369 1.00 1.00 H new ATOM 0 HA TRP A 12 6.057 6.183 0.705 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.832 6.288 2.730 1.00 1.00 H new ATOM 0 HB3 TRP A 12 8.062 7.130 1.210 1.00 1.00 H new ATOM 0 HD1 TRP A 12 6.167 8.077 4.512 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.816 10.492 5.167 1.00 1.00 H new ATOM 0 HE3 TRP A 12 9.370 9.061 0.656 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 8.480 12.515 4.140 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 10.461 11.269 0.560 1.00 1.00 H new ATOM 0 HH2 TRP A 12 10.019 12.971 2.281 1.00 1.00 H new ATOM 161 N SER A 13 4.680 6.293 3.666 1.00 1.00 N ATOM 162 CA SER A 13 4.043 5.489 4.703 1.00 1.00 C ATOM 163 C SER A 13 3.281 6.379 5.682 1.00 1.00 C ATOM 164 O SER A 13 3.694 6.555 6.828 1.00 1.00 O ATOM 165 CB SER A 13 5.088 4.661 5.454 1.00 1.00 C ATOM 166 OG SER A 13 6.122 5.486 5.964 1.00 1.00 O ATOM 0 H SER A 13 4.529 7.297 3.759 1.00 1.00 H new ATOM 0 HA SER A 13 3.336 4.813 4.223 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.610 4.123 6.273 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.512 3.912 4.785 1.00 1.00 H new ATOM 0 HG SER A 13 5.733 6.190 6.524 1.00 1.00 H new ATOM 172 N GLY A 14 2.168 6.940 5.220 1.00 1.00 N ATOM 173 CA GLY A 14 1.369 7.808 6.065 1.00 1.00 C ATOM 174 C GLY A 14 0.225 7.078 6.740 1.00 1.00 C ATOM 175 O GLY A 14 0.390 6.544 7.837 1.00 1.00 O ATOM 0 H GLY A 14 1.805 6.809 4.276 1.00 1.00 H new ATOM 0 HA2 GLY A 14 2.008 8.255 6.826 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.969 8.625 5.464 1.00 1.00 H new ATOM 179 N PRO A 15 -0.959 7.043 6.107 1.00 1.00 N ATOM 180 CA PRO A 15 -2.131 6.373 6.671 1.00 1.00 C ATOM 181 C PRO A 15 -2.008 4.854 6.634 1.00 1.00 C ATOM 182 O PRO A 15 -1.118 4.308 5.982 1.00 1.00 O ATOM 183 CB PRO A 15 -3.274 6.840 5.770 1.00 1.00 C ATOM 184 CG PRO A 15 -2.624 7.148 4.466 1.00 1.00 C ATOM 185 CD PRO A 15 -1.248 7.659 4.798 1.00 1.00 C ATOM 0 HA PRO A 15 -2.272 6.618 7.724 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -4.034 6.066 5.661 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.770 7.718 6.183 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.569 6.259 3.838 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.194 7.894 3.913 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.517 7.363 4.045 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.226 8.747 4.853 1.00 1.00 H new ATOM 193 N TYR A 16 -2.908 4.177 7.338 1.00 1.00 N ATOM 194 CA TYR A 16 -2.903 2.720 7.387 1.00 1.00 C ATOM 195 C TYR A 16 -3.704 2.134 6.229 1.00 1.00 C ATOM 196 O TYR A 16 -4.175 2.862 5.355 1.00 1.00 O ATOM 197 CB TYR A 16 -3.477 2.231 8.718 1.00 1.00 C ATOM 198 CG TYR A 16 -2.742 2.763 9.928 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.360 2.664 10.023 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.431 3.363 10.974 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.685 3.148 11.128 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.763 3.850 12.082 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.391 3.740 12.153 1.00 1.00 C ATOM 204 OH TYR A 16 -0.722 4.224 13.255 1.00 1.00 O ATOM 0 H TYR A 16 -3.651 4.614 7.883 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.870 2.382 7.299 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.525 2.525 8.782 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.450 1.142 8.737 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.804 2.202 9.221 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.506 3.451 10.921 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.390 3.063 11.188 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.313 4.314 12.887 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.366 4.611 13.884 1.00 1.00 H new ATOM 214 N CYS A 17 -3.854 0.814 6.229 1.00 1.00 N ATOM 215 CA CYS A 17 -4.598 0.127 5.180 1.00 1.00 C ATOM 216 C CYS A 17 -5.724 -0.711 5.773 1.00 1.00 C ATOM 217 O CYS A 17 -5.751 -0.974 6.975 1.00 1.00 O ATOM 218 CB CYS A 17 -3.659 -0.759 4.358 1.00 1.00 C ATOM 219 SG CYS A 17 -3.752 -0.474 2.560 1.00 1.00 S ATOM 0 H CYS A 17 -3.470 0.198 6.945 1.00 1.00 H new ATOM 0 HA CYS A 17 -5.038 0.880 4.526 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.634 -0.590 4.689 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.892 -1.804 4.562 1.00 1.00 H new ATOM 224 N CYS A 18 -6.653 -1.129 4.919 1.00 1.00 N ATOM 225 CA CYS A 18 -7.783 -1.939 5.350 1.00 1.00 C ATOM 226 C CYS A 18 -7.312 -3.179 6.099 1.00 1.00 C ATOM 227 O CYS A 18 -6.119 -3.361 6.340 1.00 1.00 O ATOM 228 CB CYS A 18 -8.630 -2.349 4.144 1.00 1.00 C ATOM 229 SG CYS A 18 -9.285 -0.946 3.184 1.00 1.00 S ATOM 0 H CYS A 18 -6.644 -0.918 3.921 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.391 -1.339 6.027 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.027 -2.976 3.486 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.464 -2.960 4.490 1.00 1.00 H new ATOM 234 N ASP A 19 -8.263 -4.024 6.464 1.00 1.00 N ATOM 235 CA ASP A 19 -7.962 -5.252 7.189 1.00 1.00 C ATOM 236 C ASP A 19 -7.791 -6.426 6.230 1.00 1.00 C ATOM 237 O ASP A 19 -8.720 -6.791 5.509 1.00 1.00 O ATOM 238 CB ASP A 19 -9.072 -5.559 8.196 1.00 1.00 C ATOM 239 CG ASP A 19 -8.569 -6.348 9.389 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.046 -5.723 10.336 1.00 1.00 O ATOM 241 OD2 ASP A 19 -8.697 -7.590 9.376 1.00 1.00 O ATOM 0 H ASP A 19 -9.254 -3.883 6.270 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.024 -5.106 7.724 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.513 -4.624 8.542 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -9.863 -6.121 7.700 1.00 1.00 H new ATOM 246 N GLY A 20 -6.599 -7.014 6.229 1.00 1.00 N ATOM 247 CA GLY A 20 -6.330 -8.142 5.357 1.00 1.00 C ATOM 248 C GLY A 20 -5.275 -7.833 4.311 1.00 1.00 C ATOM 249 O GLY A 20 -4.576 -8.731 3.842 1.00 1.00 O ATOM 0 H GLY A 20 -5.815 -6.729 6.816 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.003 -8.991 5.958 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.253 -8.440 4.860 1.00 1.00 H new ATOM 253 N TYR A 21 -5.161 -6.560 3.944 1.00 1.00 N ATOM 254 CA TYR A 21 -4.185 -6.140 2.944 1.00 1.00 C ATOM 255 C TYR A 21 -2.903 -5.644 3.609 1.00 1.00 C ATOM 256 O TYR A 21 -2.854 -5.454 4.824 1.00 1.00 O ATOM 257 CB TYR A 21 -4.769 -5.035 2.057 1.00 1.00 C ATOM 258 CG TYR A 21 -6.154 -5.332 1.513 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.693 -6.613 1.564 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.921 -4.323 0.944 1.00 1.00 C ATOM 261 CE1 TYR A 21 -7.954 -6.878 1.065 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.183 -4.581 0.444 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.694 -5.859 0.507 1.00 1.00 C ATOM 264 OH TYR A 21 -9.951 -6.120 0.009 1.00 1.00 O ATOM 0 H TYR A 21 -5.731 -5.803 4.323 1.00 1.00 H new ATOM 0 HA TYR A 21 -3.945 -7.005 2.325 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.808 -4.109 2.630 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.093 -4.863 1.220 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.116 -7.415 2.001 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.524 -3.320 0.892 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.357 -7.879 1.112 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.766 -3.785 0.006 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.339 -5.294 -0.348 1.00 1.00 H new ATOM 274 N TYR A 22 -1.871 -5.426 2.799 1.00 1.00 N ATOM 275 CA TYR A 22 -0.589 -4.941 3.293 1.00 1.00 C ATOM 276 C TYR A 22 -0.056 -3.841 2.384 1.00 1.00 C ATOM 277 O TYR A 22 -0.658 -3.531 1.355 1.00 1.00 O ATOM 278 CB TYR A 22 0.429 -6.082 3.371 1.00 1.00 C ATOM 279 CG TYR A 22 -0.065 -7.294 4.129 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.758 -7.155 5.325 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.167 -8.577 3.651 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.207 -8.260 6.022 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.278 -9.687 4.342 1.00 1.00 C ATOM 284 CZ TYR A 22 -0.965 -9.524 5.526 1.00 1.00 C ATOM 285 OH TYR A 22 -1.410 -10.627 6.218 1.00 1.00 O ATOM 0 H TYR A 22 -1.900 -5.579 1.791 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.742 -4.538 4.294 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.700 -6.384 2.359 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.337 -5.713 3.847 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -0.949 -6.167 5.716 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.704 -8.709 2.724 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.745 -8.135 6.950 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.089 -10.678 3.957 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.159 -11.441 5.733 1.00 1.00 H new ATOM 295 N CYS A 23 1.075 -3.256 2.766 1.00 1.00 N ATOM 296 CA CYS A 23 1.684 -2.188 1.980 1.00 1.00 C ATOM 297 C CYS A 23 3.151 -2.489 1.682 1.00 1.00 C ATOM 298 O CYS A 23 3.999 -2.440 2.573 1.00 1.00 O ATOM 299 CB CYS A 23 1.568 -0.852 2.717 1.00 1.00 C ATOM 300 SG CYS A 23 2.050 0.594 1.717 1.00 1.00 S ATOM 0 H CYS A 23 1.587 -3.503 3.613 1.00 1.00 H new ATOM 0 HA CYS A 23 1.148 -2.124 1.033 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.539 -0.722 3.052 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.192 -0.887 3.610 1.00 1.00 H new ATOM 305 N SER A 24 3.442 -2.794 0.420 1.00 1.00 N ATOM 306 CA SER A 24 4.804 -3.094 -0.002 1.00 1.00 C ATOM 307 C SER A 24 5.508 -1.825 -0.472 1.00 1.00 C ATOM 308 O SER A 24 4.867 -0.894 -0.959 1.00 1.00 O ATOM 309 CB SER A 24 4.793 -4.136 -1.123 1.00 1.00 C ATOM 310 OG SER A 24 5.739 -5.162 -0.875 1.00 1.00 O ATOM 0 H SER A 24 2.750 -2.839 -0.328 1.00 1.00 H new ATOM 0 HA SER A 24 5.349 -3.499 0.850 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.797 -4.569 -1.211 1.00 1.00 H new ATOM 0 HB3 SER A 24 5.016 -3.653 -2.075 1.00 1.00 H new ATOM 0 HG SER A 24 5.711 -5.816 -1.604 1.00 1.00 H new ATOM 316 N CYS A 25 6.827 -1.789 -0.321 1.00 1.00 N ATOM 317 CA CYS A 25 7.609 -0.628 -0.729 1.00 1.00 C ATOM 318 C CYS A 25 8.713 -1.025 -1.705 1.00 1.00 C ATOM 319 O CYS A 25 9.892 -0.764 -1.466 1.00 1.00 O ATOM 320 CB CYS A 25 8.212 0.060 0.497 1.00 1.00 C ATOM 321 SG CYS A 25 6.975 0.721 1.660 1.00 1.00 S ATOM 0 H CYS A 25 7.376 -2.549 0.080 1.00 1.00 H new ATOM 0 HA CYS A 25 6.942 0.069 -1.236 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.847 -0.652 1.024 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.854 0.875 0.164 1.00 1.00 H new ATOM 326 N ARG A 26 8.320 -1.654 -2.807 1.00 1.00 N ATOM 327 CA ARG A 26 9.273 -2.084 -3.823 1.00 1.00 C ATOM 328 C ARG A 26 10.048 -0.893 -4.379 1.00 1.00 C ATOM 329 O ARG A 26 9.888 0.235 -3.914 1.00 1.00 O ATOM 330 CB ARG A 26 8.548 -2.812 -4.957 1.00 1.00 C ATOM 331 CG ARG A 26 8.469 -4.317 -4.761 1.00 1.00 C ATOM 332 CD ARG A 26 8.195 -5.035 -6.073 1.00 1.00 C ATOM 333 NE ARG A 26 6.777 -5.340 -6.245 1.00 1.00 N ATOM 334 CZ ARG A 26 6.260 -5.863 -7.355 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.041 -6.142 -8.391 1.00 1.00 N ATOM 336 NH2 ARG A 26 4.959 -6.109 -7.428 1.00 1.00 N ATOM 0 H ARG A 26 7.348 -1.877 -3.019 1.00 1.00 H new ATOM 0 HA ARG A 26 9.981 -2.769 -3.356 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.538 -2.412 -5.047 1.00 1.00 H new ATOM 0 HB3 ARG A 26 9.059 -2.603 -5.897 1.00 1.00 H new ATOM 0 HG2 ARG A 26 9.405 -4.679 -4.335 1.00 1.00 H new ATOM 0 HG3 ARG A 26 7.681 -4.551 -4.045 1.00 1.00 H new ATOM 0 HD2 ARG A 26 8.536 -4.416 -6.903 1.00 1.00 H new ATOM 0 HD3 ARG A 26 8.771 -5.960 -6.107 1.00 1.00 H new ATOM 0 HE ARG A 26 6.146 -5.141 -5.469 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.043 -5.956 -8.339 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.640 -6.543 -9.239 1.00 1.00 H new ATOM 0 HH21 ARG A 26 4.355 -5.898 -6.634 1.00 1.00 H new ATOM 0 HH22 ARG A 26 4.563 -6.510 -8.278 1.00 1.00 H new ATOM 350 N SER A 27 10.887 -1.152 -5.376 1.00 1.00 N ATOM 351 CA SER A 27 11.687 -0.101 -5.995 1.00 1.00 C ATOM 352 C SER A 27 10.796 0.964 -6.627 1.00 1.00 C ATOM 353 O SER A 27 10.502 0.912 -7.822 1.00 1.00 O ATOM 354 CB SER A 27 12.618 -0.696 -7.053 1.00 1.00 C ATOM 355 OG SER A 27 13.823 -1.160 -6.469 1.00 1.00 O ATOM 0 H SER A 27 11.031 -2.081 -5.773 1.00 1.00 H new ATOM 0 HA SER A 27 12.286 0.370 -5.215 1.00 1.00 H new ATOM 0 HB2 SER A 27 12.116 -1.519 -7.562 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.843 0.057 -7.809 1.00 1.00 H new ATOM 0 HG SER A 27 14.400 -1.537 -7.166 1.00 1.00 H new ATOM 361 N MET A 28 10.370 1.930 -5.819 1.00 1.00 N ATOM 362 CA MET A 28 9.513 3.009 -6.299 1.00 1.00 C ATOM 363 C MET A 28 9.187 3.987 -5.172 1.00 1.00 C ATOM 364 O MET A 28 9.039 3.588 -4.017 1.00 1.00 O ATOM 365 CB MET A 28 8.220 2.440 -6.889 1.00 1.00 C ATOM 366 CG MET A 28 8.211 2.399 -8.409 1.00 1.00 C ATOM 367 SD MET A 28 7.220 3.719 -9.135 1.00 1.00 S ATOM 368 CE MET A 28 8.435 4.522 -10.177 1.00 1.00 C ATOM 0 H MET A 28 10.604 1.988 -4.828 1.00 1.00 H new ATOM 0 HA MET A 28 10.052 3.548 -7.079 1.00 1.00 H new ATOM 0 HB2 MET A 28 8.069 1.431 -6.506 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.378 3.041 -6.545 1.00 1.00 H new ATOM 0 HG2 MET A 28 9.234 2.475 -8.776 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.824 1.435 -8.740 1.00 1.00 H new ATOM 0 HE1 MET A 28 8.034 5.468 -10.540 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.341 4.709 -9.601 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.670 3.878 -11.024 1.00 1.00 H new ATOM 378 N PRO A 29 9.071 5.288 -5.493 1.00 1.00 N ATOM 379 CA PRO A 29 8.762 6.322 -4.503 1.00 1.00 C ATOM 380 C PRO A 29 7.274 6.385 -4.169 1.00 1.00 C ATOM 381 O PRO A 29 6.649 7.442 -4.267 1.00 1.00 O ATOM 382 CB PRO A 29 9.209 7.604 -5.202 1.00 1.00 C ATOM 383 CG PRO A 29 8.994 7.331 -6.651 1.00 1.00 C ATOM 384 CD PRO A 29 9.234 5.855 -6.847 1.00 1.00 C ATOM 0 HA PRO A 29 9.254 6.140 -3.548 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.626 8.462 -4.869 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.255 7.828 -4.991 1.00 1.00 H new ATOM 0 HG2 PRO A 29 7.982 7.603 -6.951 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.677 7.920 -7.263 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.521 5.424 -7.550 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.230 5.661 -7.244 1.00 1.00 H new ATOM 392 N TYR A 30 6.711 5.247 -3.773 1.00 1.00 N ATOM 393 CA TYR A 30 5.296 5.168 -3.423 1.00 1.00 C ATOM 394 C TYR A 30 4.892 3.725 -3.140 1.00 1.00 C ATOM 395 O TYR A 30 4.511 2.989 -4.050 1.00 1.00 O ATOM 396 CB TYR A 30 4.429 5.736 -4.555 1.00 1.00 C ATOM 397 CG TYR A 30 3.496 6.849 -4.123 1.00 1.00 C ATOM 398 CD1 TYR A 30 2.958 6.884 -2.842 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.155 7.868 -5.004 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.107 7.902 -2.454 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.306 8.889 -4.622 1.00 1.00 C ATOM 402 CZ TYR A 30 1.785 8.901 -3.347 1.00 1.00 C ATOM 403 OH TYR A 30 0.938 9.916 -2.963 1.00 1.00 O ATOM 0 H TYR A 30 7.215 4.364 -3.686 1.00 1.00 H new ATOM 0 HA TYR A 30 5.137 5.762 -2.523 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.081 6.109 -5.345 1.00 1.00 H new ATOM 0 HB3 TYR A 30 3.838 4.928 -4.985 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.209 6.104 -2.139 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.561 7.862 -6.005 1.00 1.00 H new ATOM 0 HE1 TYR A 30 1.696 7.914 -1.455 1.00 1.00 H new ATOM 0 HE2 TYR A 30 2.052 9.674 -5.319 1.00 1.00 H new ATOM 0 HH TYR A 30 0.815 10.539 -3.709 1.00 1.00 H new ATOM 413 N CYS A 31 4.971 3.325 -1.874 1.00 1.00 N ATOM 414 CA CYS A 31 4.612 1.985 -1.471 1.00 1.00 C ATOM 415 C CYS A 31 3.213 1.628 -1.965 1.00 1.00 C ATOM 416 O CYS A 31 2.328 2.483 -2.016 1.00 1.00 O ATOM 417 CB CYS A 31 4.686 1.896 0.046 1.00 1.00 C ATOM 418 SG CYS A 31 6.294 2.399 0.741 1.00 1.00 S ATOM 0 H CYS A 31 5.285 3.923 -1.109 1.00 1.00 H new ATOM 0 HA CYS A 31 5.308 1.272 -1.914 1.00 1.00 H new ATOM 0 HB2 CYS A 31 3.904 2.523 0.475 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.475 0.871 0.350 1.00 1.00 H new ATOM 423 N ARG A 32 3.019 0.367 -2.335 1.00 1.00 N ATOM 424 CA ARG A 32 1.724 -0.085 -2.832 1.00 1.00 C ATOM 425 C ARG A 32 0.990 -0.901 -1.779 1.00 1.00 C ATOM 426 O ARG A 32 1.597 -1.683 -1.053 1.00 1.00 O ATOM 427 CB ARG A 32 1.883 -0.915 -4.113 1.00 1.00 C ATOM 428 CG ARG A 32 3.319 -1.043 -4.602 1.00 1.00 C ATOM 429 CD ARG A 32 3.396 -1.810 -5.911 1.00 1.00 C ATOM 430 NE ARG A 32 4.547 -1.407 -6.715 1.00 1.00 N ATOM 431 CZ ARG A 32 4.911 -2.012 -7.844 1.00 1.00 C ATOM 432 NH1 ARG A 32 4.218 -3.046 -8.305 1.00 1.00 N ATOM 433 NH2 ARG A 32 5.972 -1.581 -8.514 1.00 1.00 N ATOM 0 H ARG A 32 3.737 -0.357 -2.301 1.00 1.00 H new ATOM 0 HA ARG A 32 1.135 0.803 -3.061 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.481 -1.913 -3.938 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.282 -0.463 -4.902 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.749 -0.050 -4.735 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.918 -1.551 -3.846 1.00 1.00 H new ATOM 0 HD2 ARG A 32 3.456 -2.878 -5.702 1.00 1.00 H new ATOM 0 HD3 ARG A 32 2.481 -1.647 -6.481 1.00 1.00 H new ATOM 0 HE ARG A 32 5.104 -0.616 -6.393 1.00 1.00 H new ATOM 0 HH11 ARG A 32 3.402 -3.381 -7.794 1.00 1.00 H new ATOM 0 HH12 ARG A 32 4.502 -3.505 -9.170 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.508 -0.787 -8.164 1.00 1.00 H new ATOM 0 HH22 ARG A 32 6.252 -2.044 -9.379 1.00 1.00 H new ATOM 447 N CYS A 33 -0.321 -0.720 -1.710 1.00 1.00 N ATOM 448 CA CYS A 33 -1.141 -1.450 -0.753 1.00 1.00 C ATOM 449 C CYS A 33 -2.090 -2.391 -1.483 1.00 1.00 C ATOM 450 O CYS A 33 -2.882 -1.957 -2.319 1.00 1.00 O ATOM 451 CB CYS A 33 -1.929 -0.483 0.133 1.00 1.00 C ATOM 452 SG CYS A 33 -1.877 -0.894 1.907 1.00 1.00 S ATOM 0 H CYS A 33 -0.840 -0.074 -2.305 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.483 -2.040 -0.115 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.537 0.524 -0.008 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.968 -0.469 -0.196 1.00 1.00 H new ATOM 457 N ARG A 34 -1.998 -3.679 -1.170 1.00 1.00 N ATOM 458 CA ARG A 34 -2.843 -4.680 -1.813 1.00 1.00 C ATOM 459 C ARG A 34 -3.083 -5.871 -0.891 1.00 1.00 C ATOM 460 O ARG A 34 -2.477 -5.976 0.170 1.00 1.00 O ATOM 461 CB ARG A 34 -2.197 -5.153 -3.118 1.00 1.00 C ATOM 462 CG ARG A 34 -3.137 -5.114 -4.312 1.00 1.00 C ATOM 463 CD ARG A 34 -2.869 -6.263 -5.271 1.00 1.00 C ATOM 464 NE ARG A 34 -3.001 -5.853 -6.667 1.00 1.00 N ATOM 465 CZ ARG A 34 -2.544 -6.565 -7.695 1.00 1.00 C ATOM 466 NH1 ARG A 34 -1.926 -7.721 -7.488 1.00 1.00 N ATOM 467 NH2 ARG A 34 -2.706 -6.119 -8.933 1.00 1.00 N ATOM 0 H ARG A 34 -1.350 -4.054 -0.478 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.806 -4.219 -2.033 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.328 -4.530 -3.330 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.834 -6.172 -2.985 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.169 -5.162 -3.965 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.021 -4.166 -4.837 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -1.865 -6.651 -5.100 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -3.564 -7.077 -5.065 1.00 1.00 H new ATOM 0 HE ARG A 34 -3.471 -4.970 -6.866 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.799 -8.068 -6.537 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -1.578 -8.262 -8.279 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.180 -5.231 -9.097 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.356 -6.664 -9.721 1.00 1.00 H new ATOM 481 N ASN A 35 -3.972 -6.768 -1.309 1.00 1.00 N ATOM 482 CA ASN A 35 -4.297 -7.956 -0.521 1.00 1.00 C ATOM 483 C ASN A 35 -3.037 -8.641 0.002 1.00 1.00 C ATOM 484 O ASN A 35 -1.924 -8.323 -0.417 1.00 1.00 O ATOM 485 CB ASN A 35 -5.116 -8.939 -1.360 1.00 1.00 C ATOM 486 CG ASN A 35 -5.916 -9.902 -0.505 1.00 1.00 C ATOM 487 OD1 ASN A 35 -5.878 -11.181 -0.861 1.00 1.00 O flip ATOM 488 ND2 ASN A 35 -6.562 -9.502 0.464 1.00 1.00 N flip ATOM 0 H ASN A 35 -4.481 -6.696 -2.190 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.887 -7.635 0.337 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.794 -8.383 -2.007 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.447 -9.504 -2.009 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.563 -8.510 0.702 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -7.096 -10.163 1.029 1.00 1.00 H new ATOM 495 N ASN A 36 -3.223 -9.579 0.925 1.00 1.00 N ATOM 496 CA ASN A 36 -2.102 -10.308 1.514 1.00 1.00 C ATOM 497 C ASN A 36 -1.462 -11.246 0.496 1.00 1.00 C ATOM 498 O ASN A 36 -0.399 -10.954 -0.050 1.00 1.00 O ATOM 499 CB ASN A 36 -2.549 -11.098 2.753 1.00 1.00 C ATOM 500 CG ASN A 36 -3.963 -11.643 2.641 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.354 -12.174 1.602 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.735 -11.511 3.713 1.00 1.00 N ATOM 0 H ASN A 36 -4.138 -9.853 1.282 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.358 -9.573 1.822 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.860 -11.927 2.915 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.484 -10.453 3.629 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.694 -11.857 3.696 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.369 -11.064 4.553 1.00 1.00 H new ATOM 509 N SER A 37 -2.116 -12.370 0.247 1.00 1.00 N ATOM 510 CA SER A 37 -1.614 -13.355 -0.705 1.00 1.00 C ATOM 511 C SER A 37 -2.532 -13.455 -1.919 1.00 1.00 C ATOM 512 O SER A 37 -3.761 -13.559 -1.723 1.00 1.00 O ATOM 513 CB SER A 37 -1.484 -14.723 -0.035 1.00 1.00 C ATOM 514 OG SER A 37 -0.332 -15.410 -0.495 1.00 1.00 O ATOM 0 H SER A 37 -2.998 -12.625 0.691 1.00 1.00 H new ATOM 0 HA SER A 37 -0.630 -13.029 -1.042 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.429 -14.598 1.046 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.373 -15.319 -0.242 1.00 1.00 H new ATOM 0 HG SER A 37 -0.271 -16.281 -0.050 1.00 1.00 H new HETATM 520 N NH2 A 38 -2.015 -13.427 -3.055 1.00 1.00 N TER 521 NH2 A 38