USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=9 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= -1.36 K(o=-1.6,f=1.1) USER MOD Set 1.2: A 36 ASN : amide:sc= -0.281 K(o=-1.6,f=-8.2!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 GLN : amide:sc= -0.978 K(o=-0.98,f=-6!) USER MOD Single : A 11 SER OG : rot -98:sc= 1.23 USER MOD Single : A 13 SER OG : rot 55:sc= 0.374 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 180:sc= 0 (180deg=0) 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 -11.412 5.045 7.437 1.00 1.00 N ATOM 2 CA ALA A 1 -11.385 4.620 6.013 1.00 1.00 C ATOM 3 C ALA A 1 -10.038 4.003 5.652 1.00 1.00 C ATOM 4 O ALA A 1 -8.986 4.530 6.013 1.00 1.00 O ATOM 5 CB ALA A 1 -11.682 5.804 5.104 1.00 1.00 C ATOM 0 H1 ALA A 1 -12.339 5.462 7.657 1.00 1.00 H new ATOM 0 H2 ALA A 1 -11.249 4.220 8.049 1.00 1.00 H new ATOM 0 H3 ALA A 1 -10.667 5.751 7.603 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.155 3.862 5.870 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -11.659 5.479 4.064 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -12.669 6.204 5.338 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -10.931 6.579 5.259 1.00 1.00 H new ATOM 13 N CYS A 2 -10.079 2.883 4.938 1.00 1.00 N ATOM 14 CA CYS A 2 -8.861 2.192 4.528 1.00 1.00 C ATOM 15 C CYS A 2 -8.682 2.258 3.015 1.00 1.00 C ATOM 16 O CYS A 2 -9.620 2.570 2.281 1.00 1.00 O ATOM 17 CB CYS A 2 -8.898 0.734 4.987 1.00 1.00 C ATOM 18 SG CYS A 2 -10.234 -0.249 4.235 1.00 1.00 S ATOM 0 H CYS A 2 -10.942 2.434 4.631 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.013 2.691 4.998 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -7.942 0.266 4.753 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.009 0.708 6.071 1.00 1.00 H new ATOM 23 N VAL A 3 -7.471 1.963 2.555 1.00 1.00 N ATOM 24 CA VAL A 3 -7.166 1.989 1.129 1.00 1.00 C ATOM 25 C VAL A 3 -7.556 0.676 0.458 1.00 1.00 C ATOM 26 O VAL A 3 -7.407 -0.398 1.040 1.00 1.00 O ATOM 27 CB VAL A 3 -5.671 2.256 0.879 1.00 1.00 C ATOM 28 CG1 VAL A 3 -5.320 3.697 1.217 1.00 1.00 C ATOM 29 CG2 VAL A 3 -4.814 1.289 1.681 1.00 1.00 C ATOM 0 H VAL A 3 -6.684 1.703 3.149 1.00 1.00 H new ATOM 0 HA VAL A 3 -7.750 2.802 0.696 1.00 1.00 H new ATOM 0 HB VAL A 3 -5.465 2.096 -0.179 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -4.259 3.866 1.034 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -5.908 4.371 0.593 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -5.542 3.889 2.267 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -3.760 1.493 1.491 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.022 1.414 2.744 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -5.045 0.266 1.384 1.00 1.00 H new ATOM 39 N GLY A 4 -8.055 0.771 -0.770 1.00 1.00 N ATOM 40 CA GLY A 4 -8.459 -0.416 -1.501 1.00 1.00 C ATOM 41 C GLY A 4 -7.283 -1.292 -1.884 1.00 1.00 C ATOM 42 O GLY A 4 -6.206 -1.191 -1.297 1.00 1.00 O ATOM 0 H GLY A 4 -8.187 1.649 -1.272 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -9.155 -0.994 -0.893 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -8.995 -0.118 -2.402 1.00 1.00 H new ATOM 46 N ASP A 5 -7.491 -2.156 -2.872 1.00 1.00 N ATOM 47 CA ASP A 5 -6.442 -3.057 -3.335 1.00 1.00 C ATOM 48 C ASP A 5 -5.620 -2.412 -4.447 1.00 1.00 C ATOM 49 O ASP A 5 -6.168 -1.917 -5.432 1.00 1.00 O ATOM 50 CB ASP A 5 -7.053 -4.372 -3.828 1.00 1.00 C ATOM 51 CG ASP A 5 -6.914 -5.489 -2.813 1.00 1.00 C ATOM 52 OD1 ASP A 5 -6.789 -5.184 -1.608 1.00 1.00 O ATOM 53 OD2 ASP A 5 -6.931 -6.669 -3.222 1.00 1.00 O ATOM 0 H ASP A 5 -8.377 -2.251 -3.368 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.779 -3.265 -2.496 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.108 -4.218 -4.052 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -6.569 -4.668 -4.759 1.00 1.00 H new ATOM 58 N GLY A 6 -4.301 -2.418 -4.279 1.00 1.00 N ATOM 59 CA GLY A 6 -3.420 -1.829 -5.271 1.00 1.00 C ATOM 60 C GLY A 6 -3.201 -0.342 -5.056 1.00 1.00 C ATOM 61 O GLY A 6 -2.369 0.271 -5.724 1.00 1.00 O ATOM 0 H GLY A 6 -3.826 -2.821 -3.472 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.458 -2.341 -5.245 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.840 -1.990 -6.264 1.00 1.00 H new ATOM 65 N GLN A 7 -3.948 0.242 -4.122 1.00 1.00 N ATOM 66 CA GLN A 7 -3.828 1.666 -3.824 1.00 1.00 C ATOM 67 C GLN A 7 -2.507 1.966 -3.124 1.00 1.00 C ATOM 68 O GLN A 7 -2.185 1.356 -2.106 1.00 1.00 O ATOM 69 CB GLN A 7 -4.997 2.127 -2.952 1.00 1.00 C ATOM 70 CG GLN A 7 -4.963 3.610 -2.623 1.00 1.00 C ATOM 71 CD GLN A 7 -6.349 4.211 -2.493 1.00 1.00 C ATOM 72 OE1 GLN A 7 -6.909 4.279 -1.399 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.911 4.650 -3.613 1.00 1.00 N ATOM 0 H GLN A 7 -4.642 -0.249 -3.559 1.00 1.00 H new ATOM 0 HA GLN A 7 -3.851 2.212 -4.767 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.932 1.898 -3.462 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.993 1.557 -2.023 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.418 3.759 -1.691 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.414 4.139 -3.402 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -6.411 4.574 -4.499 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.843 5.063 -3.588 1.00 1.00 H new ATOM 82 N ARG A 8 -1.745 2.909 -3.669 1.00 1.00 N ATOM 83 CA ARG A 8 -0.462 3.276 -3.081 1.00 1.00 C ATOM 84 C ARG A 8 -0.654 4.016 -1.763 1.00 1.00 C ATOM 85 O ARG A 8 -1.600 4.788 -1.602 1.00 1.00 O ATOM 86 CB ARG A 8 0.357 4.133 -4.047 1.00 1.00 C ATOM 87 CG ARG A 8 0.981 3.335 -5.176 1.00 1.00 C ATOM 88 CD ARG A 8 2.243 3.973 -5.706 1.00 1.00 C ATOM 89 NE ARG A 8 2.914 3.127 -6.691 1.00 1.00 N ATOM 90 CZ ARG A 8 2.522 3.011 -7.957 1.00 1.00 C ATOM 91 NH1 ARG A 8 1.466 3.684 -8.397 1.00 1.00 N ATOM 92 NH2 ARG A 8 3.189 2.221 -8.787 1.00 1.00 N ATOM 0 H ARG A 8 -1.991 3.430 -4.511 1.00 1.00 H new ATOM 0 HA ARG A 8 0.084 2.354 -2.884 1.00 1.00 H new ATOM 0 HB2 ARG A 8 -0.285 4.906 -4.469 1.00 1.00 H new ATOM 0 HB3 ARG A 8 1.145 4.641 -3.492 1.00 1.00 H new ATOM 0 HG2 ARG A 8 1.207 2.329 -4.824 1.00 1.00 H new ATOM 0 HG3 ARG A 8 0.260 3.234 -5.987 1.00 1.00 H new ATOM 0 HD2 ARG A 8 2.000 4.934 -6.159 1.00 1.00 H new ATOM 0 HD3 ARG A 8 2.923 4.174 -4.878 1.00 1.00 H new ATOM 0 HE ARG A 8 3.730 2.595 -6.390 1.00 1.00 H new ATOM 0 HH11 ARG A 8 0.950 4.294 -7.763 1.00 1.00 H new ATOM 0 HH12 ARG A 8 1.171 3.591 -9.369 1.00 1.00 H new ATOM 0 HH21 ARG A 8 4.002 1.703 -8.455 1.00 1.00 H new ATOM 0 HH22 ARG A 8 2.889 2.132 -9.758 1.00 1.00 H new ATOM 106 N CYS A 9 0.255 3.776 -0.825 1.00 1.00 N ATOM 107 CA CYS A 9 0.194 4.421 0.481 1.00 1.00 C ATOM 108 C CYS A 9 0.583 5.891 0.370 1.00 1.00 C ATOM 109 O CYS A 9 1.543 6.234 -0.320 1.00 1.00 O ATOM 110 CB CYS A 9 1.116 3.705 1.471 1.00 1.00 C ATOM 111 SG CYS A 9 0.474 2.106 2.066 1.00 1.00 S ATOM 0 H CYS A 9 1.043 3.139 -0.945 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.831 4.360 0.848 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.084 3.542 0.996 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.287 4.357 2.328 1.00 1.00 H new ATOM 116 N ALA A 10 -0.172 6.754 1.048 1.00 1.00 N ATOM 117 CA ALA A 10 0.081 8.197 1.026 1.00 1.00 C ATOM 118 C ALA A 10 1.575 8.510 1.030 1.00 1.00 C ATOM 119 O ALA A 10 2.372 7.754 1.584 1.00 1.00 O ATOM 120 CB ALA A 10 -0.601 8.868 2.208 1.00 1.00 C ATOM 0 H ALA A 10 -0.968 6.479 1.623 1.00 1.00 H new ATOM 0 HA ALA A 10 -0.336 8.592 0.099 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.405 9.940 2.180 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.676 8.694 2.155 1.00 1.00 H new ATOM 0 HB3 ALA A 10 -0.211 8.452 3.137 1.00 1.00 H new ATOM 126 N SER A 11 1.939 9.634 0.410 1.00 1.00 N ATOM 127 CA SER A 11 3.327 10.073 0.328 1.00 1.00 C ATOM 128 C SER A 11 4.294 8.900 0.146 1.00 1.00 C ATOM 129 O SER A 11 4.577 8.492 -0.981 1.00 1.00 O ATOM 130 CB SER A 11 3.676 10.879 1.565 1.00 1.00 C ATOM 131 OG SER A 11 5.062 11.166 1.624 1.00 1.00 O ATOM 0 H SER A 11 1.279 10.262 -0.048 1.00 1.00 H new ATOM 0 HA SER A 11 3.433 10.702 -0.556 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.110 11.811 1.565 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.380 10.326 2.456 1.00 1.00 H new ATOM 0 HG SER A 11 5.505 10.520 2.213 1.00 1.00 H new ATOM 137 N TRP A 12 4.795 8.358 1.253 1.00 1.00 N ATOM 138 CA TRP A 12 5.724 7.233 1.199 1.00 1.00 C ATOM 139 C TRP A 12 5.292 6.115 2.147 1.00 1.00 C ATOM 140 O TRP A 12 5.562 4.941 1.896 1.00 1.00 O ATOM 141 CB TRP A 12 7.148 7.688 1.541 1.00 1.00 C ATOM 142 CG TRP A 12 7.202 8.883 2.446 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.626 9.006 3.678 1.00 1.00 C ATOM 144 CD2 TRP A 12 7.868 10.125 2.189 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.894 10.248 4.202 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.655 10.953 3.307 1.00 1.00 C ATOM 147 CE3 TRP A 12 8.626 10.616 1.122 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.171 12.244 3.387 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.138 11.898 1.203 1.00 1.00 C ATOM 150 CH2 TRP A 12 8.909 12.698 2.329 1.00 1.00 C ATOM 0 H TRP A 12 4.574 8.679 2.196 1.00 1.00 H new ATOM 0 HA TRP A 12 5.713 6.845 0.181 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.679 6.862 2.014 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.677 7.920 0.617 1.00 1.00 H new ATOM 0 HD1 TRP A 12 6.045 8.239 4.169 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.578 10.589 5.110 1.00 1.00 H new ATOM 0 HE3 TRP A 12 8.808 10.005 0.250 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 7.995 12.864 4.253 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 9.724 12.289 0.384 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.324 13.695 2.363 1.00 1.00 H new ATOM 161 N SER A 13 4.623 6.484 3.237 1.00 1.00 N ATOM 162 CA SER A 13 4.158 5.508 4.218 1.00 1.00 C ATOM 163 C SER A 13 3.413 6.199 5.357 1.00 1.00 C ATOM 164 O SER A 13 3.914 6.282 6.479 1.00 1.00 O ATOM 165 CB SER A 13 5.338 4.707 4.774 1.00 1.00 C ATOM 166 OG SER A 13 6.319 5.564 5.331 1.00 1.00 O ATOM 0 H SER A 13 4.391 7.451 3.463 1.00 1.00 H new ATOM 0 HA SER A 13 3.471 4.825 3.718 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.983 4.012 5.535 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.783 4.109 3.979 1.00 1.00 H new ATOM 0 HG SER A 13 5.903 6.146 6.001 1.00 1.00 H new ATOM 172 N GLY A 14 2.217 6.695 5.060 1.00 1.00 N ATOM 173 CA GLY A 14 1.425 7.375 6.068 1.00 1.00 C ATOM 174 C GLY A 14 0.293 6.520 6.599 1.00 1.00 C ATOM 175 O GLY A 14 0.436 5.872 7.637 1.00 1.00 O ATOM 0 H GLY A 14 1.782 6.638 4.139 1.00 1.00 H new ATOM 0 HA2 GLY A 14 2.072 7.668 6.895 1.00 1.00 H new ATOM 0 HA3 GLY A 14 1.014 8.291 5.644 1.00 1.00 H new ATOM 179 N PRO A 15 -0.857 6.502 5.908 1.00 1.00 N ATOM 180 CA PRO A 15 -2.017 5.717 6.334 1.00 1.00 C ATOM 181 C PRO A 15 -1.770 4.216 6.243 1.00 1.00 C ATOM 182 O PRO A 15 -0.780 3.773 5.662 1.00 1.00 O ATOM 183 CB PRO A 15 -3.118 6.140 5.357 1.00 1.00 C ATOM 184 CG PRO A 15 -2.393 6.635 4.155 1.00 1.00 C ATOM 185 CD PRO A 15 -1.119 7.248 4.664 1.00 1.00 C ATOM 0 HA PRO A 15 -2.266 5.899 7.379 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.769 5.302 5.108 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -3.749 6.918 5.786 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -2.184 5.820 3.462 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -2.990 7.369 3.614 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -0.305 7.135 3.948 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.233 8.316 4.852 1.00 1.00 H new ATOM 193 N TYR A 16 -2.678 3.439 6.825 1.00 1.00 N ATOM 194 CA TYR A 16 -2.561 1.986 6.815 1.00 1.00 C ATOM 195 C TYR A 16 -3.479 1.372 5.763 1.00 1.00 C ATOM 196 O TYR A 16 -4.102 2.083 4.975 1.00 1.00 O ATOM 197 CB TYR A 16 -2.897 1.416 8.195 1.00 1.00 C ATOM 198 CG TYR A 16 -2.330 2.223 9.342 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.063 1.955 9.845 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.062 3.253 9.920 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.542 2.691 10.892 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.546 3.994 10.967 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.287 3.709 11.449 1.00 1.00 C ATOM 204 OH TYR A 16 -0.770 4.444 12.492 1.00 1.00 O ATOM 0 H TYR A 16 -3.503 3.792 7.310 1.00 1.00 H new ATOM 0 HA TYR A 16 -1.531 1.733 6.565 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -3.980 1.362 8.302 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -2.519 0.396 8.259 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.476 1.159 9.411 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.050 3.478 9.545 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.444 2.470 11.272 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.127 4.792 11.405 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.421 5.123 12.768 1.00 1.00 H new ATOM 214 N CYS A 17 -3.557 0.045 5.758 1.00 1.00 N ATOM 215 CA CYS A 17 -4.398 -0.671 4.805 1.00 1.00 C ATOM 216 C CYS A 17 -5.597 -1.299 5.506 1.00 1.00 C ATOM 217 O CYS A 17 -5.635 -1.394 6.732 1.00 1.00 O ATOM 218 CB CYS A 17 -3.585 -1.750 4.086 1.00 1.00 C ATOM 219 SG CYS A 17 -3.558 -1.574 2.272 1.00 1.00 S ATOM 0 H CYS A 17 -3.047 -0.557 6.404 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.765 0.045 4.070 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.561 -1.727 4.458 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.994 -2.728 4.340 1.00 1.00 H new ATOM 224 N CYS A 18 -6.574 -1.728 4.715 1.00 1.00 N ATOM 225 CA CYS A 18 -7.778 -2.350 5.247 1.00 1.00 C ATOM 226 C CYS A 18 -7.432 -3.510 6.171 1.00 1.00 C ATOM 227 O CYS A 18 -6.262 -3.780 6.442 1.00 1.00 O ATOM 228 CB CYS A 18 -8.667 -2.844 4.104 1.00 1.00 C ATOM 229 SG CYS A 18 -9.257 -1.524 2.994 1.00 1.00 S ATOM 0 H CYS A 18 -6.554 -1.655 3.698 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.318 -1.600 5.824 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.112 -3.576 3.517 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.529 -3.361 4.526 1.00 1.00 H new ATOM 234 N ASP A 19 -8.462 -4.190 6.648 1.00 1.00 N ATOM 235 CA ASP A 19 -8.284 -5.326 7.545 1.00 1.00 C ATOM 236 C ASP A 19 -7.915 -6.584 6.766 1.00 1.00 C ATOM 237 O ASP A 19 -8.781 -7.385 6.415 1.00 1.00 O ATOM 238 CB ASP A 19 -9.560 -5.569 8.353 1.00 1.00 C ATOM 239 CG ASP A 19 -9.292 -6.316 9.645 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.745 -5.700 10.584 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.627 -7.517 9.717 1.00 1.00 O ATOM 0 H ASP A 19 -9.435 -3.976 6.429 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.468 -5.092 8.228 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -10.031 -4.612 8.580 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.267 -6.137 7.748 1.00 1.00 H new ATOM 246 N GLY A 20 -6.623 -6.752 6.500 1.00 1.00 N ATOM 247 CA GLY A 20 -6.164 -7.916 5.765 1.00 1.00 C ATOM 248 C GLY A 20 -5.137 -7.571 4.704 1.00 1.00 C ATOM 249 O GLY A 20 -4.321 -8.412 4.326 1.00 1.00 O ATOM 0 H GLY A 20 -5.887 -6.104 6.780 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -5.733 -8.634 6.462 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.018 -8.403 5.294 1.00 1.00 H new ATOM 253 N TYR A 21 -5.176 -6.333 4.220 1.00 1.00 N ATOM 254 CA TYR A 21 -4.240 -5.887 3.194 1.00 1.00 C ATOM 255 C TYR A 21 -2.937 -5.396 3.819 1.00 1.00 C ATOM 256 O TYR A 21 -2.842 -5.231 5.035 1.00 1.00 O ATOM 257 CB TYR A 21 -4.861 -4.769 2.351 1.00 1.00 C ATOM 258 CG TYR A 21 -6.258 -5.070 1.839 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.788 -6.355 1.888 1.00 1.00 C ATOM 260 CD2 TYR A 21 -7.046 -4.059 1.300 1.00 1.00 C ATOM 261 CE1 TYR A 21 -8.059 -6.623 1.417 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.318 -4.320 0.827 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.819 -5.602 0.888 1.00 1.00 C ATOM 264 OH TYR A 21 -10.085 -5.865 0.417 1.00 1.00 O ATOM 0 H TYR A 21 -5.844 -5.623 4.521 1.00 1.00 H new ATOM 0 HA TYR A 21 -4.019 -6.739 2.551 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.895 -3.857 2.947 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.211 -4.569 1.499 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.195 -7.158 2.302 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.657 -3.053 1.250 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.455 -7.627 1.463 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.917 -3.523 0.411 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.487 -5.038 0.079 1.00 1.00 H new ATOM 274 N TYR A 22 -1.939 -5.156 2.973 1.00 1.00 N ATOM 275 CA TYR A 22 -0.640 -4.676 3.427 1.00 1.00 C ATOM 276 C TYR A 22 -0.121 -3.588 2.494 1.00 1.00 C ATOM 277 O TYR A 22 -0.749 -3.275 1.481 1.00 1.00 O ATOM 278 CB TYR A 22 0.371 -5.823 3.489 1.00 1.00 C ATOM 279 CG TYR A 22 -0.095 -7.014 4.297 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.715 -6.843 5.528 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.091 -8.308 3.829 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.138 -7.930 6.270 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.329 -9.400 4.565 1.00 1.00 C ATOM 284 CZ TYR A 22 -0.942 -9.205 5.785 1.00 1.00 C ATOM 285 OH TYR A 22 -1.361 -10.290 6.521 1.00 1.00 O ATOM 0 H TYR A 22 -2.007 -5.287 1.964 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.764 -4.262 4.428 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.595 -6.151 2.474 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.302 -5.450 3.916 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -0.869 -5.845 5.912 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.572 -8.464 2.874 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.620 -7.781 7.225 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.178 -10.400 4.187 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.149 -11.115 6.037 1.00 1.00 H new ATOM 295 N CYS A 23 1.031 -3.021 2.838 1.00 1.00 N ATOM 296 CA CYS A 23 1.636 -1.970 2.028 1.00 1.00 C ATOM 297 C CYS A 23 3.080 -2.316 1.672 1.00 1.00 C ATOM 298 O CYS A 23 3.966 -2.277 2.525 1.00 1.00 O ATOM 299 CB CYS A 23 1.589 -0.631 2.769 1.00 1.00 C ATOM 300 SG CYS A 23 2.001 0.810 1.731 1.00 1.00 S ATOM 0 H CYS A 23 1.564 -3.271 3.671 1.00 1.00 H new ATOM 0 HA CYS A 23 1.063 -1.887 1.104 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.591 -0.493 3.184 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.281 -0.669 3.610 1.00 1.00 H new ATOM 305 N SER A 24 3.309 -2.649 0.405 1.00 1.00 N ATOM 306 CA SER A 24 4.642 -2.995 -0.067 1.00 1.00 C ATOM 307 C SER A 24 5.408 -1.737 -0.463 1.00 1.00 C ATOM 308 O SER A 24 4.822 -0.663 -0.598 1.00 1.00 O ATOM 309 CB SER A 24 4.551 -3.954 -1.257 1.00 1.00 C ATOM 310 OG SER A 24 5.213 -5.176 -0.979 1.00 1.00 O ATOM 0 H SER A 24 2.586 -2.686 -0.313 1.00 1.00 H new ATOM 0 HA SER A 24 5.179 -3.490 0.742 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.505 -4.149 -1.492 1.00 1.00 H new ATOM 0 HB3 SER A 24 4.994 -3.489 -2.138 1.00 1.00 H new ATOM 0 HG SER A 24 5.139 -5.772 -1.754 1.00 1.00 H new ATOM 316 N CYS A 25 6.716 -1.872 -0.645 1.00 1.00 N ATOM 317 CA CYS A 25 7.547 -0.735 -1.021 1.00 1.00 C ATOM 318 C CYS A 25 8.747 -1.178 -1.852 1.00 1.00 C ATOM 319 O CYS A 25 9.896 -1.030 -1.434 1.00 1.00 O ATOM 320 CB CYS A 25 8.017 0.010 0.230 1.00 1.00 C ATOM 321 SG CYS A 25 6.659 0.602 1.291 1.00 1.00 S ATOM 0 H CYS A 25 7.222 -2.752 -0.539 1.00 1.00 H new ATOM 0 HA CYS A 25 6.944 -0.063 -1.632 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.660 -0.649 0.813 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.626 0.862 -0.074 1.00 1.00 H new ATOM 326 N ARG A 26 8.473 -1.714 -3.037 1.00 1.00 N ATOM 327 CA ARG A 26 9.530 -2.169 -3.932 1.00 1.00 C ATOM 328 C ARG A 26 10.430 -1.003 -4.328 1.00 1.00 C ATOM 329 O ARG A 26 10.430 0.039 -3.672 1.00 1.00 O ATOM 330 CB ARG A 26 8.924 -2.820 -5.179 1.00 1.00 C ATOM 331 CG ARG A 26 9.546 -4.163 -5.525 1.00 1.00 C ATOM 332 CD ARG A 26 8.806 -4.844 -6.666 1.00 1.00 C ATOM 333 NE ARG A 26 7.930 -5.911 -6.189 1.00 1.00 N ATOM 334 CZ ARG A 26 7.344 -6.802 -6.986 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.538 -6.757 -8.298 1.00 1.00 N ATOM 336 NH2 ARG A 26 6.563 -7.741 -6.470 1.00 1.00 N ATOM 0 H ARG A 26 7.528 -1.844 -3.399 1.00 1.00 H new ATOM 0 HA ARG A 26 10.134 -2.910 -3.409 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.853 -2.953 -5.026 1.00 1.00 H new ATOM 0 HB3 ARG A 26 9.043 -2.144 -6.026 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.591 -4.021 -5.801 1.00 1.00 H new ATOM 0 HG3 ARG A 26 9.534 -4.808 -4.646 1.00 1.00 H new ATOM 0 HD2 ARG A 26 8.216 -4.105 -7.208 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.527 -5.255 -7.372 1.00 1.00 H new ATOM 0 HE ARG A 26 7.757 -5.977 -5.186 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.139 -6.037 -8.700 1.00 1.00 H new ATOM 0 HH12 ARG A 26 7.087 -7.442 -8.904 1.00 1.00 H new ATOM 0 HH21 ARG A 26 6.411 -7.781 -5.462 1.00 1.00 H new ATOM 0 HH22 ARG A 26 6.114 -8.423 -7.081 1.00 1.00 H new ATOM 350 N SER A 27 11.196 -1.184 -5.398 1.00 1.00 N ATOM 351 CA SER A 27 12.100 -0.144 -5.878 1.00 1.00 C ATOM 352 C SER A 27 11.322 1.094 -6.319 1.00 1.00 C ATOM 353 O SER A 27 11.165 1.348 -7.513 1.00 1.00 O ATOM 354 CB SER A 27 12.945 -0.672 -7.039 1.00 1.00 C ATOM 355 OG SER A 27 14.241 -0.099 -7.028 1.00 1.00 O ATOM 0 H SER A 27 11.209 -2.042 -5.950 1.00 1.00 H new ATOM 0 HA SER A 27 12.759 0.138 -5.057 1.00 1.00 H new ATOM 0 HB2 SER A 27 13.023 -1.757 -6.972 1.00 1.00 H new ATOM 0 HB3 SER A 27 12.452 -0.446 -7.984 1.00 1.00 H new ATOM 0 HG SER A 27 14.762 -0.454 -7.779 1.00 1.00 H new ATOM 361 N MET A 28 10.835 1.858 -5.346 1.00 1.00 N ATOM 362 CA MET A 28 10.070 3.069 -5.625 1.00 1.00 C ATOM 363 C MET A 28 9.611 3.727 -4.325 1.00 1.00 C ATOM 364 O MET A 28 9.380 3.048 -3.325 1.00 1.00 O ATOM 365 CB MET A 28 8.858 2.744 -6.503 1.00 1.00 C ATOM 366 CG MET A 28 9.075 3.052 -7.977 1.00 1.00 C ATOM 367 SD MET A 28 8.136 4.487 -8.535 1.00 1.00 S ATOM 368 CE MET A 28 8.641 4.574 -10.252 1.00 1.00 C ATOM 0 H MET A 28 10.957 1.659 -4.353 1.00 1.00 H new ATOM 0 HA MET A 28 10.717 3.765 -6.159 1.00 1.00 H new ATOM 0 HB2 MET A 28 8.613 1.688 -6.393 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.998 3.310 -6.145 1.00 1.00 H new ATOM 0 HG2 MET A 28 10.136 3.226 -8.155 1.00 1.00 H new ATOM 0 HG3 MET A 28 8.790 2.184 -8.571 1.00 1.00 H new ATOM 0 HE1 MET A 28 8.143 5.415 -10.736 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.721 4.711 -10.307 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.366 3.649 -10.759 1.00 1.00 H new ATOM 378 N PRO A 29 9.473 5.064 -4.322 1.00 1.00 N ATOM 379 CA PRO A 29 9.039 5.809 -3.136 1.00 1.00 C ATOM 380 C PRO A 29 7.564 5.588 -2.818 1.00 1.00 C ATOM 381 O PRO A 29 7.194 5.357 -1.667 1.00 1.00 O ATOM 382 CB PRO A 29 9.290 7.268 -3.522 1.00 1.00 C ATOM 383 CG PRO A 29 9.205 7.285 -5.009 1.00 1.00 C ATOM 384 CD PRO A 29 9.727 5.953 -5.472 1.00 1.00 C ATOM 0 HA PRO A 29 9.572 5.493 -2.239 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.548 7.929 -3.075 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.267 7.607 -3.177 1.00 1.00 H new ATOM 0 HG2 PRO A 29 8.177 7.437 -5.339 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.797 8.101 -5.424 1.00 1.00 H new ATOM 0 HD2 PRO A 29 9.210 5.609 -6.367 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.788 6.001 -5.716 1.00 1.00 H new ATOM 392 N TYR A 30 6.725 5.661 -3.846 1.00 1.00 N ATOM 393 CA TYR A 30 5.288 5.470 -3.678 1.00 1.00 C ATOM 394 C TYR A 30 4.967 4.009 -3.378 1.00 1.00 C ATOM 395 O TYR A 30 4.835 3.193 -4.291 1.00 1.00 O ATOM 396 CB TYR A 30 4.545 5.920 -4.941 1.00 1.00 C ATOM 397 CG TYR A 30 3.169 6.515 -4.689 1.00 1.00 C ATOM 398 CD1 TYR A 30 2.568 6.462 -3.436 1.00 1.00 C ATOM 399 CD2 TYR A 30 2.481 7.153 -5.716 1.00 1.00 C ATOM 400 CE1 TYR A 30 1.321 7.022 -3.218 1.00 1.00 C ATOM 401 CE2 TYR A 30 1.237 7.715 -5.504 1.00 1.00 C ATOM 402 CZ TYR A 30 0.662 7.647 -4.255 1.00 1.00 C ATOM 403 OH TYR A 30 -0.577 8.206 -4.040 1.00 1.00 O ATOM 0 H TYR A 30 7.015 5.851 -4.805 1.00 1.00 H new ATOM 0 HA TYR A 30 4.959 6.076 -2.834 1.00 1.00 H new ATOM 0 HB2 TYR A 30 5.155 6.658 -5.462 1.00 1.00 H new ATOM 0 HB3 TYR A 30 4.440 5.065 -5.609 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.082 5.976 -2.620 1.00 1.00 H new ATOM 0 HD2 TYR A 30 2.928 7.210 -6.698 1.00 1.00 H new ATOM 0 HE1 TYR A 30 0.866 6.969 -2.240 1.00 1.00 H new ATOM 0 HE2 TYR A 30 0.718 8.205 -6.314 1.00 1.00 H new ATOM 0 HH TYR A 30 -0.904 8.608 -4.872 1.00 1.00 H new ATOM 413 N CYS A 31 4.841 3.684 -2.096 1.00 1.00 N ATOM 414 CA CYS A 31 4.535 2.336 -1.674 1.00 1.00 C ATOM 415 C CYS A 31 3.166 1.906 -2.194 1.00 1.00 C ATOM 416 O CYS A 31 2.307 2.745 -2.468 1.00 1.00 O ATOM 417 CB CYS A 31 4.572 2.277 -0.153 1.00 1.00 C ATOM 418 SG CYS A 31 6.243 2.448 0.557 1.00 1.00 S ATOM 0 H CYS A 31 4.949 4.348 -1.330 1.00 1.00 H new ATOM 0 HA CYS A 31 5.276 1.650 -2.085 1.00 1.00 H new ATOM 0 HB2 CYS A 31 3.936 3.067 0.246 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.145 1.329 0.174 1.00 1.00 H new ATOM 423 N ARG A 32 2.966 0.599 -2.335 1.00 1.00 N ATOM 424 CA ARG A 32 1.697 0.076 -2.831 1.00 1.00 C ATOM 425 C ARG A 32 0.945 -0.661 -1.732 1.00 1.00 C ATOM 426 O ARG A 32 1.546 -1.353 -0.916 1.00 1.00 O ATOM 427 CB ARG A 32 1.916 -0.860 -4.029 1.00 1.00 C ATOM 428 CG ARG A 32 3.369 -0.992 -4.464 1.00 1.00 C ATOM 429 CD ARG A 32 3.479 -1.490 -5.896 1.00 1.00 C ATOM 430 NE ARG A 32 4.586 -2.428 -6.067 1.00 1.00 N ATOM 431 CZ ARG A 32 4.534 -3.709 -5.711 1.00 1.00 C ATOM 432 NH1 ARG A 32 3.434 -4.209 -5.163 1.00 1.00 N ATOM 433 NH2 ARG A 32 5.585 -4.493 -5.905 1.00 1.00 N ATOM 0 H ARG A 32 3.662 -0.114 -2.114 1.00 1.00 H new ATOM 0 HA ARG A 32 1.098 0.926 -3.157 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.533 -1.849 -3.777 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.328 -0.496 -4.872 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.866 -0.026 -4.375 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.888 -1.680 -3.797 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.546 -1.974 -6.184 1.00 1.00 H new ATOM 0 HD3 ARG A 32 3.617 -0.641 -6.565 1.00 1.00 H new ATOM 0 HE ARG A 32 5.450 -2.080 -6.484 1.00 1.00 H new ATOM 0 HH11 ARG A 32 2.622 -3.611 -5.012 1.00 1.00 H new ATOM 0 HH12 ARG A 32 3.400 -5.192 -4.892 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.433 -4.114 -6.327 1.00 1.00 H new ATOM 0 HH22 ARG A 32 5.546 -5.475 -5.632 1.00 1.00 H new ATOM 447 N CYS A 33 -0.374 -0.517 -1.724 1.00 1.00 N ATOM 448 CA CYS A 33 -1.209 -1.180 -0.730 1.00 1.00 C ATOM 449 C CYS A 33 -2.202 -2.112 -1.414 1.00 1.00 C ATOM 450 O CYS A 33 -2.968 -1.686 -2.280 1.00 1.00 O ATOM 451 CB CYS A 33 -1.952 -0.151 0.126 1.00 1.00 C ATOM 452 SG CYS A 33 -1.882 -0.485 1.916 1.00 1.00 S ATOM 0 H CYS A 33 -0.889 0.053 -2.395 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.565 -1.769 -0.077 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.532 0.836 -0.065 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -2.996 -0.120 -0.187 1.00 1.00 H new ATOM 457 N ARG A 34 -2.175 -3.386 -1.031 1.00 1.00 N ATOM 458 CA ARG A 34 -3.068 -4.377 -1.624 1.00 1.00 C ATOM 459 C ARG A 34 -3.266 -5.565 -0.693 1.00 1.00 C ATOM 460 O ARG A 34 -2.628 -5.660 0.352 1.00 1.00 O ATOM 461 CB ARG A 34 -2.504 -4.855 -2.963 1.00 1.00 C ATOM 462 CG ARG A 34 -3.575 -5.233 -3.976 1.00 1.00 C ATOM 463 CD ARG A 34 -3.408 -6.664 -4.468 1.00 1.00 C ATOM 464 NE ARG A 34 -3.427 -6.747 -5.926 1.00 1.00 N ATOM 465 CZ ARG A 34 -2.499 -6.206 -6.712 1.00 1.00 C ATOM 466 NH1 ARG A 34 -1.477 -5.542 -6.184 1.00 1.00 N ATOM 467 NH2 ARG A 34 -2.591 -6.329 -8.029 1.00 1.00 N ATOM 0 H ARG A 34 -1.548 -3.755 -0.316 1.00 1.00 H new ATOM 0 HA ARG A 34 -4.037 -3.905 -1.786 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.878 -4.069 -3.385 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.860 -5.717 -2.789 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -4.560 -5.117 -3.524 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -3.531 -4.550 -4.824 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -2.467 -7.068 -4.094 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -4.206 -7.283 -4.059 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.197 -7.249 -6.368 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.400 -5.445 -5.172 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -0.769 -5.129 -6.791 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -3.373 -6.838 -8.440 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -1.880 -5.914 -8.631 1.00 1.00 H new ATOM 481 N ASN A 35 -4.156 -6.472 -1.083 1.00 1.00 N ATOM 482 CA ASN A 35 -4.446 -7.663 -0.286 1.00 1.00 C ATOM 483 C ASN A 35 -3.163 -8.334 0.202 1.00 1.00 C ATOM 484 O ASN A 35 -2.065 -7.992 -0.237 1.00 1.00 O ATOM 485 CB ASN A 35 -5.278 -8.654 -1.103 1.00 1.00 C ATOM 486 CG ASN A 35 -6.037 -9.633 -0.229 1.00 1.00 C ATOM 487 OD1 ASN A 35 -6.827 -9.235 0.627 1.00 1.00 O ATOM 488 ND2 ASN A 35 -5.800 -10.922 -0.441 1.00 1.00 N ATOM 0 H ASN A 35 -4.691 -6.406 -1.949 1.00 1.00 H new ATOM 0 HA ASN A 35 -5.015 -7.349 0.589 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.984 -8.104 -1.725 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.622 -9.206 -1.776 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -6.281 -11.627 0.117 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -5.137 -11.207 -1.162 1.00 1.00 H new ATOM 495 N ASN A 36 -3.313 -9.286 1.117 1.00 1.00 N ATOM 496 CA ASN A 36 -2.167 -10.000 1.673 1.00 1.00 C ATOM 497 C ASN A 36 -1.531 -10.914 0.631 1.00 1.00 C ATOM 498 O ASN A 36 -0.483 -10.595 0.069 1.00 1.00 O ATOM 499 CB ASN A 36 -2.575 -10.815 2.911 1.00 1.00 C ATOM 500 CG ASN A 36 -3.976 -11.392 2.814 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.416 -11.810 1.743 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.685 -11.416 3.937 1.00 1.00 N ATOM 0 H ASN A 36 -4.215 -9.581 1.490 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.431 -9.255 1.974 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.863 -11.628 3.053 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.512 -10.179 3.794 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.633 -11.791 3.933 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.281 -11.059 4.803 1.00 1.00 H new ATOM 509 N SER A 37 -2.170 -12.045 0.378 1.00 1.00 N ATOM 510 CA SER A 37 -1.668 -13.007 -0.598 1.00 1.00 C ATOM 511 C SER A 37 -2.805 -13.852 -1.163 1.00 1.00 C ATOM 512 O SER A 37 -3.565 -14.433 -0.360 1.00 1.00 O ATOM 513 CB SER A 37 -0.614 -13.912 0.042 1.00 1.00 C ATOM 514 OG SER A 37 -0.095 -14.836 -0.900 1.00 1.00 O ATOM 0 H SER A 37 -3.039 -12.322 0.834 1.00 1.00 H new ATOM 0 HA SER A 37 -1.211 -12.451 -1.417 1.00 1.00 H new ATOM 0 HB2 SER A 37 0.196 -13.304 0.444 1.00 1.00 H new ATOM 0 HB3 SER A 37 -1.054 -14.451 0.881 1.00 1.00 H new ATOM 0 HG SER A 37 0.578 -15.402 -0.467 1.00 1.00 H new HETATM 520 N NH2 A 38 -2.927 -13.924 -2.404 1.00 1.00 N TER 521 NH2 A 38