USER MOD reduce.3.24.130724 H: found=0, std=0, add=239, rem=0, adj=10 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= -0.287 K(o=-0.29,f=-1.9!) USER MOD Single : A 11 SER OG : rot -115:sc= 0.0895 USER MOD Single : A 13 SER OG : rot 56:sc= 0.0495 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= -0.0267 (180deg=-0.132) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= -0.442 K(o=-0.44,f=1) USER MOD Single : A 36 ASN : amide:sc= -0.663 K(o=-0.66,f=-8.3!) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -12.233 5.297 7.407 1.00 1.00 N ATOM 2 CA ALA A 1 -12.104 4.758 6.028 1.00 1.00 C ATOM 3 C ALA A 1 -10.702 4.212 5.782 1.00 1.00 C ATOM 4 O ALA A 1 -9.708 4.845 6.138 1.00 1.00 O ATOM 5 CB ALA A 1 -12.436 5.837 5.008 1.00 1.00 C ATOM 0 H1 ALA A 1 -13.196 5.662 7.548 1.00 1.00 H new ATOM 0 H2 ALA A 1 -12.045 4.540 8.095 1.00 1.00 H new ATOM 0 H3 ALA A 1 -11.547 6.067 7.544 1.00 1.00 H new ATOM 0 HA ALA A 1 -12.812 3.936 5.917 1.00 1.00 H new ATOM 0 HB1 ALA A 1 -12.338 5.429 4.002 1.00 1.00 H new ATOM 0 HB2 ALA A 1 -13.459 6.181 5.162 1.00 1.00 H new ATOM 0 HB3 ALA A 1 -11.750 6.675 5.128 1.00 1.00 H new ATOM 13 N CYS A 2 -10.629 3.034 5.172 1.00 1.00 N ATOM 14 CA CYS A 2 -9.348 2.403 4.878 1.00 1.00 C ATOM 15 C CYS A 2 -9.030 2.483 3.389 1.00 1.00 C ATOM 16 O CYS A 2 -9.902 2.774 2.571 1.00 1.00 O ATOM 17 CB CYS A 2 -9.356 0.942 5.335 1.00 1.00 C ATOM 18 SG CYS A 2 -10.490 -0.130 4.395 1.00 1.00 S ATOM 0 H CYS A 2 -11.442 2.497 4.871 1.00 1.00 H new ATOM 0 HA CYS A 2 -8.573 2.941 5.424 1.00 1.00 H new ATOM 0 HB2 CYS A 2 -8.345 0.542 5.253 1.00 1.00 H new ATOM 0 HB3 CYS A 2 -9.629 0.905 6.389 1.00 1.00 H new ATOM 23 N VAL A 3 -7.774 2.222 3.048 1.00 1.00 N ATOM 24 CA VAL A 3 -7.334 2.262 1.659 1.00 1.00 C ATOM 25 C VAL A 3 -6.514 1.026 1.312 1.00 1.00 C ATOM 26 O VAL A 3 -5.751 0.525 2.139 1.00 1.00 O ATOM 27 CB VAL A 3 -6.492 3.520 1.371 1.00 1.00 C ATOM 28 CG1 VAL A 3 -7.380 4.754 1.305 1.00 1.00 C ATOM 29 CG2 VAL A 3 -5.408 3.691 2.424 1.00 1.00 C ATOM 0 H VAL A 3 -7.041 1.980 3.715 1.00 1.00 H new ATOM 0 HA VAL A 3 -8.232 2.288 1.042 1.00 1.00 H new ATOM 0 HB VAL A 3 -6.008 3.396 0.402 1.00 1.00 H new ATOM 0 HG11 VAL A 3 -6.768 5.632 1.101 1.00 1.00 H new ATOM 0 HG12 VAL A 3 -8.115 4.631 0.510 1.00 1.00 H new ATOM 0 HG13 VAL A 3 -7.894 4.884 2.257 1.00 1.00 H new ATOM 0 HG21 VAL A 3 -4.824 4.585 2.203 1.00 1.00 H new ATOM 0 HG22 VAL A 3 -5.868 3.792 3.407 1.00 1.00 H new ATOM 0 HG23 VAL A 3 -4.754 2.819 2.417 1.00 1.00 H new ATOM 39 N GLY A 4 -6.675 0.534 0.089 1.00 1.00 N ATOM 40 CA GLY A 4 -5.940 -0.643 -0.332 1.00 1.00 C ATOM 41 C GLY A 4 -6.281 -1.081 -1.741 1.00 1.00 C ATOM 42 O GLY A 4 -6.771 -0.290 -2.547 1.00 1.00 O ATOM 0 H GLY A 4 -7.299 0.927 -0.616 1.00 1.00 H new ATOM 0 HA2 GLY A 4 -4.871 -0.439 -0.270 1.00 1.00 H new ATOM 0 HA3 GLY A 4 -6.149 -1.461 0.357 1.00 1.00 H new ATOM 46 N ASP A 5 -6.021 -2.350 -2.033 1.00 1.00 N ATOM 47 CA ASP A 5 -6.299 -2.911 -3.347 1.00 1.00 C ATOM 48 C ASP A 5 -5.589 -2.121 -4.445 1.00 1.00 C ATOM 49 O ASP A 5 -6.230 -1.478 -5.277 1.00 1.00 O ATOM 50 CB ASP A 5 -7.805 -2.928 -3.595 1.00 1.00 C ATOM 51 CG ASP A 5 -8.218 -3.997 -4.587 1.00 1.00 C ATOM 52 OD1 ASP A 5 -7.949 -3.823 -5.794 1.00 1.00 O ATOM 53 OD2 ASP A 5 -8.809 -5.010 -4.157 1.00 1.00 O ATOM 0 H ASP A 5 -5.615 -3.012 -1.372 1.00 1.00 H new ATOM 0 HA ASP A 5 -5.920 -3.933 -3.372 1.00 1.00 H new ATOM 0 HB2 ASP A 5 -8.324 -3.093 -2.651 1.00 1.00 H new ATOM 0 HB3 ASP A 5 -8.120 -1.952 -3.965 1.00 1.00 H new ATOM 58 N GLY A 6 -4.260 -2.174 -4.438 1.00 1.00 N ATOM 59 CA GLY A 6 -3.479 -1.461 -5.433 1.00 1.00 C ATOM 60 C GLY A 6 -3.300 0.011 -5.101 1.00 1.00 C ATOM 61 O GLY A 6 -2.618 0.736 -5.826 1.00 1.00 O ATOM 0 H GLY A 6 -3.709 -2.699 -3.759 1.00 1.00 H new ATOM 0 HA2 GLY A 6 -2.499 -1.930 -5.523 1.00 1.00 H new ATOM 0 HA3 GLY A 6 -3.966 -1.553 -6.404 1.00 1.00 H new ATOM 65 N GLN A 7 -3.911 0.456 -4.006 1.00 1.00 N ATOM 66 CA GLN A 7 -3.812 1.851 -3.587 1.00 1.00 C ATOM 67 C GLN A 7 -2.411 2.175 -3.075 1.00 1.00 C ATOM 68 O GLN A 7 -1.950 1.589 -2.097 1.00 1.00 O ATOM 69 CB GLN A 7 -4.845 2.153 -2.500 1.00 1.00 C ATOM 70 CG GLN A 7 -4.985 3.634 -2.188 1.00 1.00 C ATOM 71 CD GLN A 7 -6.385 4.157 -2.443 1.00 1.00 C ATOM 72 OE1 GLN A 7 -7.171 3.536 -3.158 1.00 1.00 O ATOM 73 NE2 GLN A 7 -6.704 5.306 -1.858 1.00 1.00 N ATOM 0 H GLN A 7 -4.479 -0.129 -3.393 1.00 1.00 H new ATOM 0 HA GLN A 7 -4.012 2.477 -4.457 1.00 1.00 H new ATOM 0 HB2 GLN A 7 -5.814 1.763 -2.813 1.00 1.00 H new ATOM 0 HB3 GLN A 7 -4.567 1.623 -1.589 1.00 1.00 H new ATOM 0 HG2 GLN A 7 -4.721 3.808 -1.145 1.00 1.00 H new ATOM 0 HG3 GLN A 7 -4.275 4.197 -2.794 1.00 1.00 H new ATOM 0 HE21 GLN A 7 -6.021 5.787 -1.273 1.00 1.00 H new ATOM 0 HE22 GLN A 7 -7.632 5.707 -1.994 1.00 1.00 H new ATOM 82 N ARG A 8 -1.740 3.115 -3.735 1.00 1.00 N ATOM 83 CA ARG A 8 -0.396 3.511 -3.330 1.00 1.00 C ATOM 84 C ARG A 8 -0.436 4.278 -2.009 1.00 1.00 C ATOM 85 O ARG A 8 -1.063 5.332 -1.908 1.00 1.00 O ATOM 86 CB ARG A 8 0.277 4.343 -4.433 1.00 1.00 C ATOM 87 CG ARG A 8 0.008 5.840 -4.352 1.00 1.00 C ATOM 88 CD ARG A 8 0.212 6.520 -5.697 1.00 1.00 C ATOM 89 NE ARG A 8 -0.760 6.073 -6.694 1.00 1.00 N ATOM 90 CZ ARG A 8 -0.538 5.090 -7.566 1.00 1.00 C ATOM 91 NH1 ARG A 8 0.617 4.433 -7.565 1.00 1.00 N ATOM 92 NH2 ARG A 8 -1.477 4.758 -8.441 1.00 1.00 N ATOM 0 H ARG A 8 -2.103 3.614 -4.548 1.00 1.00 H new ATOM 0 HA ARG A 8 0.199 2.610 -3.177 1.00 1.00 H new ATOM 0 HB2 ARG A 8 1.353 4.178 -4.389 1.00 1.00 H new ATOM 0 HB3 ARG A 8 -0.062 3.978 -5.403 1.00 1.00 H new ATOM 0 HG2 ARG A 8 -1.013 6.009 -4.010 1.00 1.00 H new ATOM 0 HG3 ARG A 8 0.670 6.290 -3.612 1.00 1.00 H new ATOM 0 HD2 ARG A 8 0.132 7.600 -5.572 1.00 1.00 H new ATOM 0 HD3 ARG A 8 1.220 6.315 -6.057 1.00 1.00 H new ATOM 0 HE ARG A 8 -1.665 6.543 -6.724 1.00 1.00 H new ATOM 0 HH11 ARG A 8 1.343 4.680 -6.893 1.00 1.00 H new ATOM 0 HH12 ARG A 8 0.777 3.682 -8.237 1.00 1.00 H new ATOM 0 HH21 ARG A 8 -2.368 5.255 -8.446 1.00 1.00 H new ATOM 0 HH22 ARG A 8 -1.309 4.006 -9.109 1.00 1.00 H new ATOM 106 N CYS A 9 0.234 3.736 -0.995 1.00 1.00 N ATOM 107 CA CYS A 9 0.272 4.364 0.323 1.00 1.00 C ATOM 108 C CYS A 9 0.715 5.821 0.223 1.00 1.00 C ATOM 109 O CYS A 9 1.607 6.154 -0.556 1.00 1.00 O ATOM 110 CB CYS A 9 1.216 3.595 1.250 1.00 1.00 C ATOM 111 SG CYS A 9 0.546 2.009 1.847 1.00 1.00 S ATOM 0 H CYS A 9 0.758 2.863 -1.061 1.00 1.00 H new ATOM 0 HA CYS A 9 -0.736 4.339 0.737 1.00 1.00 H new ATOM 0 HB2 CYS A 9 2.151 3.406 0.723 1.00 1.00 H new ATOM 0 HB3 CYS A 9 1.455 4.222 2.109 1.00 1.00 H new ATOM 116 N ALA A 10 0.084 6.687 1.016 1.00 1.00 N ATOM 117 CA ALA A 10 0.413 8.111 1.017 1.00 1.00 C ATOM 118 C ALA A 10 1.922 8.330 1.072 1.00 1.00 C ATOM 119 O ALA A 10 2.645 7.537 1.673 1.00 1.00 O ATOM 120 CB ALA A 10 -0.266 8.808 2.186 1.00 1.00 C ATOM 0 H ALA A 10 -0.658 6.427 1.666 1.00 1.00 H new ATOM 0 HA ALA A 10 0.045 8.542 0.086 1.00 1.00 H new ATOM 0 HB1 ALA A 10 -0.012 9.868 2.175 1.00 1.00 H new ATOM 0 HB2 ALA A 10 -1.346 8.692 2.101 1.00 1.00 H new ATOM 0 HB3 ALA A 10 0.074 8.364 3.122 1.00 1.00 H new ATOM 126 N SER A 11 2.382 9.414 0.443 1.00 1.00 N ATOM 127 CA SER A 11 3.800 9.762 0.406 1.00 1.00 C ATOM 128 C SER A 11 4.693 8.519 0.353 1.00 1.00 C ATOM 129 O SER A 11 5.014 8.023 -0.728 1.00 1.00 O ATOM 130 CB SER A 11 4.138 10.633 1.608 1.00 1.00 C ATOM 131 OG SER A 11 5.500 10.504 1.981 1.00 1.00 O ATOM 0 H SER A 11 1.782 10.072 -0.053 1.00 1.00 H new ATOM 0 HA SER A 11 3.994 10.322 -0.509 1.00 1.00 H new ATOM 0 HB2 SER A 11 3.921 11.675 1.375 1.00 1.00 H new ATOM 0 HB3 SER A 11 3.502 10.356 2.449 1.00 1.00 H new ATOM 0 HG SER A 11 5.559 10.094 2.869 1.00 1.00 H new ATOM 137 N TRP A 12 5.086 8.015 1.520 1.00 1.00 N ATOM 138 CA TRP A 12 5.932 6.829 1.595 1.00 1.00 C ATOM 139 C TRP A 12 5.306 5.762 2.495 1.00 1.00 C ATOM 140 O TRP A 12 5.593 4.574 2.352 1.00 1.00 O ATOM 141 CB TRP A 12 7.330 7.193 2.110 1.00 1.00 C ATOM 142 CG TRP A 12 7.342 8.354 3.059 1.00 1.00 C ATOM 143 CD1 TRP A 12 6.555 8.520 4.163 1.00 1.00 C ATOM 144 CD2 TRP A 12 8.182 9.512 2.987 1.00 1.00 C ATOM 145 NE1 TRP A 12 6.855 9.710 4.781 1.00 1.00 N ATOM 146 CE2 TRP A 12 7.850 10.337 4.078 1.00 1.00 C ATOM 147 CE3 TRP A 12 9.183 9.930 2.105 1.00 1.00 C ATOM 148 CZ2 TRP A 12 8.484 11.555 4.310 1.00 1.00 C ATOM 149 CZ3 TRP A 12 9.811 11.139 2.337 1.00 1.00 C ATOM 150 CH2 TRP A 12 9.460 11.939 3.431 1.00 1.00 C ATOM 0 H TRP A 12 4.832 8.410 2.426 1.00 1.00 H new ATOM 0 HA TRP A 12 6.022 6.422 0.588 1.00 1.00 H new ATOM 0 HB2 TRP A 12 7.761 6.324 2.608 1.00 1.00 H new ATOM 0 HB3 TRP A 12 7.971 7.424 1.260 1.00 1.00 H new ATOM 0 HD1 TRP A 12 5.806 7.819 4.501 1.00 1.00 H new ATOM 0 HE1 TRP A 12 6.409 10.068 5.626 1.00 1.00 H new ATOM 0 HE3 TRP A 12 9.460 9.320 1.258 1.00 1.00 H new ATOM 0 HZ2 TRP A 12 8.215 12.174 5.153 1.00 1.00 H new ATOM 0 HZ3 TRP A 12 10.586 11.472 1.663 1.00 1.00 H new ATOM 0 HH2 TRP A 12 9.970 12.879 3.584 1.00 1.00 H new ATOM 161 N SER A 13 4.450 6.192 3.421 1.00 1.00 N ATOM 162 CA SER A 13 3.785 5.272 4.341 1.00 1.00 C ATOM 163 C SER A 13 2.959 6.040 5.369 1.00 1.00 C ATOM 164 O SER A 13 3.337 6.137 6.537 1.00 1.00 O ATOM 165 CB SER A 13 4.814 4.389 5.053 1.00 1.00 C ATOM 166 OG SER A 13 5.900 5.160 5.538 1.00 1.00 O ATOM 0 H SER A 13 4.201 7.172 3.554 1.00 1.00 H new ATOM 0 HA SER A 13 3.116 4.637 3.760 1.00 1.00 H new ATOM 0 HB2 SER A 13 4.337 3.865 5.882 1.00 1.00 H new ATOM 0 HB3 SER A 13 5.183 3.628 4.365 1.00 1.00 H new ATOM 0 HG SER A 13 5.561 5.874 6.117 1.00 1.00 H new ATOM 172 N GLY A 14 1.832 6.589 4.926 1.00 1.00 N ATOM 173 CA GLY A 14 0.974 7.345 5.819 1.00 1.00 C ATOM 174 C GLY A 14 -0.195 6.535 6.339 1.00 1.00 C ATOM 175 O GLY A 14 -0.068 5.835 7.344 1.00 1.00 O ATOM 0 H GLY A 14 1.498 6.524 3.964 1.00 1.00 H new ATOM 0 HA2 GLY A 14 1.563 7.706 6.662 1.00 1.00 H new ATOM 0 HA3 GLY A 14 0.597 8.223 5.295 1.00 1.00 H new ATOM 179 N PRO A 15 -1.361 6.615 5.677 1.00 1.00 N ATOM 180 CA PRO A 15 -2.554 5.882 6.101 1.00 1.00 C ATOM 181 C PRO A 15 -2.309 4.382 6.206 1.00 1.00 C ATOM 182 O PRO A 15 -1.352 3.857 5.637 1.00 1.00 O ATOM 183 CB PRO A 15 -3.577 6.179 5.001 1.00 1.00 C ATOM 184 CG PRO A 15 -3.110 7.444 4.370 1.00 1.00 C ATOM 185 CD PRO A 15 -1.611 7.431 4.475 1.00 1.00 C ATOM 0 HA PRO A 15 -2.880 6.188 7.095 1.00 1.00 H new ATOM 0 HB2 PRO A 15 -3.621 5.368 4.274 1.00 1.00 H new ATOM 0 HB3 PRO A 15 -4.579 6.291 5.414 1.00 1.00 H new ATOM 0 HG2 PRO A 15 -3.428 7.501 3.329 1.00 1.00 H new ATOM 0 HG3 PRO A 15 -3.529 8.312 4.879 1.00 1.00 H new ATOM 0 HD2 PRO A 15 -1.150 6.994 3.589 1.00 1.00 H new ATOM 0 HD3 PRO A 15 -1.207 8.438 4.581 1.00 1.00 H new ATOM 193 N TYR A 16 -3.183 3.697 6.936 1.00 1.00 N ATOM 194 CA TYR A 16 -3.066 2.255 7.115 1.00 1.00 C ATOM 195 C TYR A 16 -3.949 1.515 6.116 1.00 1.00 C ATOM 196 O TYR A 16 -4.969 2.038 5.667 1.00 1.00 O ATOM 197 CB TYR A 16 -3.451 1.864 8.542 1.00 1.00 C ATOM 198 CG TYR A 16 -2.756 2.688 9.604 1.00 1.00 C ATOM 199 CD1 TYR A 16 -1.370 2.727 9.683 1.00 1.00 C ATOM 200 CD2 TYR A 16 -3.488 3.427 10.525 1.00 1.00 C ATOM 201 CE1 TYR A 16 -0.732 3.478 10.651 1.00 1.00 C ATOM 202 CE2 TYR A 16 -2.856 4.181 11.496 1.00 1.00 C ATOM 203 CZ TYR A 16 -1.479 4.203 11.555 1.00 1.00 C ATOM 204 OH TYR A 16 -0.847 4.953 12.520 1.00 1.00 O ATOM 0 H TYR A 16 -3.980 4.118 7.413 1.00 1.00 H new ATOM 0 HA TYR A 16 -2.028 1.972 6.938 1.00 1.00 H new ATOM 0 HB2 TYR A 16 -4.529 1.969 8.660 1.00 1.00 H new ATOM 0 HB3 TYR A 16 -3.214 0.811 8.698 1.00 1.00 H new ATOM 0 HD1 TYR A 16 -0.781 2.161 8.976 1.00 1.00 H new ATOM 0 HD2 TYR A 16 -4.567 3.412 10.482 1.00 1.00 H new ATOM 0 HE1 TYR A 16 0.347 3.497 10.699 1.00 1.00 H new ATOM 0 HE2 TYR A 16 -3.438 4.750 12.205 1.00 1.00 H new ATOM 0 HH TYR A 16 -1.517 5.403 13.075 1.00 1.00 H new ATOM 214 N CYS A 17 -3.552 0.295 5.773 1.00 1.00 N ATOM 215 CA CYS A 17 -4.309 -0.516 4.827 1.00 1.00 C ATOM 216 C CYS A 17 -5.514 -1.160 5.503 1.00 1.00 C ATOM 217 O CYS A 17 -5.532 -1.339 6.721 1.00 1.00 O ATOM 218 CB CYS A 17 -3.412 -1.595 4.215 1.00 1.00 C ATOM 219 SG CYS A 17 -3.428 -1.629 2.394 1.00 1.00 S ATOM 0 H CYS A 17 -2.711 -0.154 6.136 1.00 1.00 H new ATOM 0 HA CYS A 17 -4.670 0.138 4.033 1.00 1.00 H new ATOM 0 HB2 CYS A 17 -2.389 -1.438 4.556 1.00 1.00 H new ATOM 0 HB3 CYS A 17 -3.727 -2.569 4.589 1.00 1.00 H new ATOM 224 N CYS A 18 -6.518 -1.511 4.705 1.00 1.00 N ATOM 225 CA CYS A 18 -7.725 -2.138 5.221 1.00 1.00 C ATOM 226 C CYS A 18 -7.387 -3.371 6.050 1.00 1.00 C ATOM 227 O CYS A 18 -6.218 -3.688 6.271 1.00 1.00 O ATOM 228 CB CYS A 18 -8.654 -2.525 4.069 1.00 1.00 C ATOM 229 SG CYS A 18 -9.269 -1.108 3.101 1.00 1.00 S ATOM 0 H CYS A 18 -6.517 -1.370 3.695 1.00 1.00 H new ATOM 0 HA CYS A 18 -8.232 -1.418 5.864 1.00 1.00 H new ATOM 0 HB2 CYS A 18 -8.124 -3.205 3.402 1.00 1.00 H new ATOM 0 HB3 CYS A 18 -9.506 -3.073 4.472 1.00 1.00 H new ATOM 234 N ASP A 19 -8.421 -4.059 6.506 1.00 1.00 N ATOM 235 CA ASP A 19 -8.249 -5.259 7.315 1.00 1.00 C ATOM 236 C ASP A 19 -8.008 -6.482 6.436 1.00 1.00 C ATOM 237 O ASP A 19 -8.952 -7.124 5.975 1.00 1.00 O ATOM 238 CB ASP A 19 -9.479 -5.486 8.196 1.00 1.00 C ATOM 239 CG ASP A 19 -9.243 -6.544 9.257 1.00 1.00 C ATOM 240 OD1 ASP A 19 -8.540 -6.247 10.245 1.00 1.00 O ATOM 241 OD2 ASP A 19 -9.761 -7.669 9.099 1.00 1.00 O ATOM 0 H ASP A 19 -9.394 -3.807 6.330 1.00 1.00 H new ATOM 0 HA ASP A 19 -7.375 -5.114 7.950 1.00 1.00 H new ATOM 0 HB2 ASP A 19 -9.756 -4.548 8.677 1.00 1.00 H new ATOM 0 HB3 ASP A 19 -10.321 -5.784 7.571 1.00 1.00 H new ATOM 246 N GLY A 20 -6.737 -6.803 6.209 1.00 1.00 N ATOM 247 CA GLY A 20 -6.399 -7.951 5.388 1.00 1.00 C ATOM 248 C GLY A 20 -5.327 -7.643 4.361 1.00 1.00 C ATOM 249 O GLY A 20 -4.596 -8.536 3.933 1.00 1.00 O ATOM 0 H GLY A 20 -5.937 -6.289 6.579 1.00 1.00 H new ATOM 0 HA2 GLY A 20 -6.058 -8.763 6.030 1.00 1.00 H new ATOM 0 HA3 GLY A 20 -7.295 -8.303 4.877 1.00 1.00 H new ATOM 253 N TYR A 21 -5.233 -6.379 3.960 1.00 1.00 N ATOM 254 CA TYR A 21 -4.243 -5.966 2.972 1.00 1.00 C ATOM 255 C TYR A 21 -2.983 -5.429 3.649 1.00 1.00 C ATOM 256 O TYR A 21 -2.962 -5.212 4.861 1.00 1.00 O ATOM 257 CB TYR A 21 -4.829 -4.900 2.040 1.00 1.00 C ATOM 258 CG TYR A 21 -6.193 -5.248 1.472 1.00 1.00 C ATOM 259 CD1 TYR A 21 -6.699 -6.542 1.545 1.00 1.00 C ATOM 260 CD2 TYR A 21 -6.974 -4.276 0.860 1.00 1.00 C ATOM 261 CE1 TYR A 21 -7.940 -6.855 1.025 1.00 1.00 C ATOM 262 CE2 TYR A 21 -8.216 -4.581 0.338 1.00 1.00 C ATOM 263 CZ TYR A 21 -8.694 -5.871 0.423 1.00 1.00 C ATOM 264 OH TYR A 21 -9.931 -6.179 -0.096 1.00 1.00 O ATOM 0 H TYR A 21 -5.828 -5.625 4.303 1.00 1.00 H new ATOM 0 HA TYR A 21 -3.972 -6.843 2.384 1.00 1.00 H new ATOM 0 HB2 TYR A 21 -4.905 -3.959 2.585 1.00 1.00 H new ATOM 0 HB3 TYR A 21 -4.136 -4.735 1.215 1.00 1.00 H new ATOM 0 HD1 TYR A 21 -6.111 -7.316 2.017 1.00 1.00 H new ATOM 0 HD2 TYR A 21 -6.604 -3.264 0.791 1.00 1.00 H new ATOM 0 HE1 TYR A 21 -8.317 -7.865 1.090 1.00 1.00 H new ATOM 0 HE2 TYR A 21 -8.810 -3.812 -0.134 1.00 1.00 H new ATOM 0 HH TYR A 21 -10.333 -5.374 -0.484 1.00 1.00 H new ATOM 274 N TYR A 22 -1.939 -5.215 2.854 1.00 1.00 N ATOM 275 CA TYR A 22 -0.672 -4.701 3.360 1.00 1.00 C ATOM 276 C TYR A 22 -0.115 -3.640 2.417 1.00 1.00 C ATOM 277 O TYR A 22 -0.712 -3.342 1.382 1.00 1.00 O ATOM 278 CB TYR A 22 0.345 -5.835 3.513 1.00 1.00 C ATOM 279 CG TYR A 22 -0.125 -6.970 4.395 1.00 1.00 C ATOM 280 CD1 TYR A 22 -0.815 -6.721 5.575 1.00 1.00 C ATOM 281 CD2 TYR A 22 0.128 -8.292 4.050 1.00 1.00 C ATOM 282 CE1 TYR A 22 -1.240 -7.756 6.385 1.00 1.00 C ATOM 283 CE2 TYR A 22 -0.293 -9.333 4.856 1.00 1.00 C ATOM 284 CZ TYR A 22 -0.977 -9.059 6.021 1.00 1.00 C ATOM 285 OH TYR A 22 -1.398 -10.093 6.826 1.00 1.00 O ATOM 0 H TYR A 22 -1.947 -5.391 1.849 1.00 1.00 H new ATOM 0 HA TYR A 22 -0.853 -4.252 4.337 1.00 1.00 H new ATOM 0 HB2 TYR A 22 0.583 -6.231 2.526 1.00 1.00 H new ATOM 0 HB3 TYR A 22 1.268 -5.428 3.924 1.00 1.00 H new ATOM 0 HD1 TYR A 22 -1.022 -5.701 5.864 1.00 1.00 H new ATOM 0 HD2 TYR A 22 0.662 -8.510 3.137 1.00 1.00 H new ATOM 0 HE1 TYR A 22 -1.776 -7.545 7.299 1.00 1.00 H new ATOM 0 HE2 TYR A 22 -0.087 -10.355 4.575 1.00 1.00 H new ATOM 0 HH TYR A 22 -1.134 -10.948 6.426 1.00 1.00 H new ATOM 295 N CYS A 23 1.035 -3.078 2.779 1.00 1.00 N ATOM 296 CA CYS A 23 1.676 -2.051 1.963 1.00 1.00 C ATOM 297 C CYS A 23 3.121 -2.427 1.646 1.00 1.00 C ATOM 298 O CYS A 23 3.968 -2.485 2.537 1.00 1.00 O ATOM 299 CB CYS A 23 1.638 -0.700 2.682 1.00 1.00 C ATOM 300 SG CYS A 23 2.096 0.715 1.629 1.00 1.00 S ATOM 0 H CYS A 23 1.542 -3.316 3.631 1.00 1.00 H new ATOM 0 HA CYS A 23 1.125 -1.974 1.026 1.00 1.00 H new ATOM 0 HB2 CYS A 23 0.634 -0.537 3.075 1.00 1.00 H new ATOM 0 HB3 CYS A 23 2.313 -0.736 3.537 1.00 1.00 H new ATOM 305 N SER A 24 3.395 -2.676 0.369 1.00 1.00 N ATOM 306 CA SER A 24 4.736 -3.040 -0.070 1.00 1.00 C ATOM 307 C SER A 24 5.482 -1.813 -0.584 1.00 1.00 C ATOM 308 O SER A 24 4.906 -0.968 -1.270 1.00 1.00 O ATOM 309 CB SER A 24 4.665 -4.108 -1.164 1.00 1.00 C ATOM 310 OG SER A 24 5.588 -5.154 -0.918 1.00 1.00 O ATOM 0 H SER A 24 2.704 -2.632 -0.380 1.00 1.00 H new ATOM 0 HA SER A 24 5.279 -3.445 0.784 1.00 1.00 H new ATOM 0 HB2 SER A 24 3.655 -4.515 -1.214 1.00 1.00 H new ATOM 0 HB3 SER A 24 4.874 -3.655 -2.133 1.00 1.00 H new ATOM 0 HG SER A 24 5.521 -5.824 -1.630 1.00 1.00 H new ATOM 316 N CYS A 25 6.763 -1.717 -0.247 1.00 1.00 N ATOM 317 CA CYS A 25 7.581 -0.588 -0.673 1.00 1.00 C ATOM 318 C CYS A 25 8.709 -1.046 -1.592 1.00 1.00 C ATOM 319 O CYS A 25 9.878 -0.734 -1.364 1.00 1.00 O ATOM 320 CB CYS A 25 8.155 0.140 0.543 1.00 1.00 C ATOM 321 SG CYS A 25 6.904 1.001 1.551 1.00 1.00 S ATOM 0 H CYS A 25 7.257 -2.407 0.319 1.00 1.00 H new ATOM 0 HA CYS A 25 6.945 0.100 -1.230 1.00 1.00 H new ATOM 0 HB2 CYS A 25 8.679 -0.581 1.171 1.00 1.00 H new ATOM 0 HB3 CYS A 25 8.895 0.865 0.204 1.00 1.00 H new ATOM 326 N ARG A 26 8.348 -1.787 -2.636 1.00 1.00 N ATOM 327 CA ARG A 26 9.326 -2.286 -3.596 1.00 1.00 C ATOM 328 C ARG A 26 10.096 -1.132 -4.234 1.00 1.00 C ATOM 329 O ARG A 26 10.081 -0.011 -3.725 1.00 1.00 O ATOM 330 CB ARG A 26 8.628 -3.116 -4.677 1.00 1.00 C ATOM 331 CG ARG A 26 9.365 -4.397 -5.033 1.00 1.00 C ATOM 332 CD ARG A 26 8.919 -4.941 -6.380 1.00 1.00 C ATOM 333 NE ARG A 26 7.542 -5.431 -6.344 1.00 1.00 N ATOM 334 CZ ARG A 26 6.827 -5.713 -7.431 1.00 1.00 C ATOM 335 NH1 ARG A 26 7.355 -5.560 -8.639 1.00 1.00 N ATOM 336 NH2 ARG A 26 5.582 -6.152 -7.309 1.00 1.00 N ATOM 0 H ARG A 26 7.385 -2.055 -2.838 1.00 1.00 H new ATOM 0 HA ARG A 26 10.036 -2.920 -3.065 1.00 1.00 H new ATOM 0 HB2 ARG A 26 7.623 -3.367 -4.338 1.00 1.00 H new ATOM 0 HB3 ARG A 26 8.518 -2.508 -5.575 1.00 1.00 H new ATOM 0 HG2 ARG A 26 10.438 -4.207 -5.054 1.00 1.00 H new ATOM 0 HG3 ARG A 26 9.189 -5.146 -4.261 1.00 1.00 H new ATOM 0 HD2 ARG A 26 9.006 -4.158 -7.134 1.00 1.00 H new ATOM 0 HD3 ARG A 26 9.584 -5.750 -6.682 1.00 1.00 H new ATOM 0 HE ARG A 26 7.104 -5.565 -5.433 1.00 1.00 H new ATOM 0 HH11 ARG A 26 8.313 -5.225 -8.738 1.00 1.00 H new ATOM 0 HH12 ARG A 26 6.803 -5.778 -9.468 1.00 1.00 H new ATOM 0 HH21 ARG A 26 5.173 -6.273 -6.383 1.00 1.00 H new ATOM 0 HH22 ARG A 26 5.034 -6.368 -8.141 1.00 1.00 H new ATOM 350 N SER A 27 10.768 -1.411 -5.347 1.00 1.00 N ATOM 351 CA SER A 27 11.541 -0.393 -6.049 1.00 1.00 C ATOM 352 C SER A 27 10.641 0.742 -6.529 1.00 1.00 C ATOM 353 O SER A 27 10.236 0.776 -7.691 1.00 1.00 O ATOM 354 CB SER A 27 12.280 -1.011 -7.237 1.00 1.00 C ATOM 355 OG SER A 27 13.542 -0.396 -7.429 1.00 1.00 O ATOM 0 H SER A 27 10.793 -2.333 -5.782 1.00 1.00 H new ATOM 0 HA SER A 27 12.270 0.017 -5.350 1.00 1.00 H new ATOM 0 HB2 SER A 27 12.415 -2.080 -7.069 1.00 1.00 H new ATOM 0 HB3 SER A 27 11.678 -0.903 -8.139 1.00 1.00 H new ATOM 0 HG SER A 27 13.995 -0.810 -8.193 1.00 1.00 H new ATOM 361 N MET A 28 10.332 1.667 -5.626 1.00 1.00 N ATOM 362 CA MET A 28 9.479 2.805 -5.952 1.00 1.00 C ATOM 363 C MET A 28 9.269 3.692 -4.726 1.00 1.00 C ATOM 364 O MET A 28 9.238 3.203 -3.596 1.00 1.00 O ATOM 365 CB MET A 28 8.128 2.323 -6.486 1.00 1.00 C ATOM 366 CG MET A 28 8.020 2.372 -8.003 1.00 1.00 C ATOM 367 SD MET A 28 6.966 3.714 -8.584 1.00 1.00 S ATOM 368 CE MET A 28 8.093 4.586 -9.669 1.00 1.00 C ATOM 0 H MET A 28 10.660 1.651 -4.660 1.00 1.00 H new ATOM 0 HA MET A 28 9.976 3.392 -6.725 1.00 1.00 H new ATOM 0 HB2 MET A 28 7.958 1.300 -6.151 1.00 1.00 H new ATOM 0 HB3 MET A 28 7.337 2.935 -6.054 1.00 1.00 H new ATOM 0 HG2 MET A 28 9.016 2.487 -8.430 1.00 1.00 H new ATOM 0 HG3 MET A 28 7.625 1.423 -8.366 1.00 1.00 H new ATOM 0 HE1 MET A 28 7.657 5.544 -9.952 1.00 1.00 H new ATOM 0 HE2 MET A 28 9.038 4.755 -9.152 1.00 1.00 H new ATOM 0 HE3 MET A 28 8.271 3.990 -10.564 1.00 1.00 H new ATOM 378 N PRO A 29 9.119 5.011 -4.933 1.00 1.00 N ATOM 379 CA PRO A 29 8.910 5.963 -3.837 1.00 1.00 C ATOM 380 C PRO A 29 7.512 5.856 -3.238 1.00 1.00 C ATOM 381 O PRO A 29 7.325 6.038 -2.035 1.00 1.00 O ATOM 382 CB PRO A 29 9.101 7.322 -4.511 1.00 1.00 C ATOM 383 CG PRO A 29 8.729 7.091 -5.934 1.00 1.00 C ATOM 384 CD PRO A 29 9.142 5.679 -6.249 1.00 1.00 C ATOM 0 HA PRO A 29 9.590 5.785 -3.004 1.00 1.00 H new ATOM 0 HB2 PRO A 29 8.468 8.083 -4.054 1.00 1.00 H new ATOM 0 HB3 PRO A 29 10.131 7.668 -4.422 1.00 1.00 H new ATOM 0 HG2 PRO A 29 7.658 7.226 -6.084 1.00 1.00 H new ATOM 0 HG3 PRO A 29 9.235 7.800 -6.589 1.00 1.00 H new ATOM 0 HD2 PRO A 29 8.454 5.207 -6.951 1.00 1.00 H new ATOM 0 HD3 PRO A 29 10.133 5.642 -6.700 1.00 1.00 H new ATOM 392 N TYR A 30 6.533 5.560 -4.086 1.00 1.00 N ATOM 393 CA TYR A 30 5.150 5.428 -3.644 1.00 1.00 C ATOM 394 C TYR A 30 4.795 3.964 -3.402 1.00 1.00 C ATOM 395 O TYR A 30 4.443 3.242 -4.334 1.00 1.00 O ATOM 396 CB TYR A 30 4.201 6.026 -4.688 1.00 1.00 C ATOM 397 CG TYR A 30 3.355 7.169 -4.169 1.00 1.00 C ATOM 398 CD1 TYR A 30 2.852 7.162 -2.875 1.00 1.00 C ATOM 399 CD2 TYR A 30 3.060 8.258 -4.981 1.00 1.00 C ATOM 400 CE1 TYR A 30 2.079 8.207 -2.404 1.00 1.00 C ATOM 401 CE2 TYR A 30 2.289 9.306 -4.517 1.00 1.00 C ATOM 402 CZ TYR A 30 1.800 9.275 -3.229 1.00 1.00 C ATOM 403 OH TYR A 30 1.031 10.317 -2.764 1.00 1.00 O ATOM 0 H TYR A 30 6.672 5.407 -5.085 1.00 1.00 H new ATOM 0 HA TYR A 30 5.040 5.972 -2.706 1.00 1.00 H new ATOM 0 HB2 TYR A 30 4.787 6.378 -5.537 1.00 1.00 H new ATOM 0 HB3 TYR A 30 3.543 5.240 -5.058 1.00 1.00 H new ATOM 0 HD1 TYR A 30 3.068 6.327 -2.226 1.00 1.00 H new ATOM 0 HD2 TYR A 30 3.440 8.285 -5.992 1.00 1.00 H new ATOM 0 HE1 TYR A 30 1.696 8.186 -1.395 1.00 1.00 H new ATOM 0 HE2 TYR A 30 2.071 10.145 -5.160 1.00 1.00 H new ATOM 0 HH TYR A 30 0.930 10.989 -3.470 1.00 1.00 H new ATOM 413 N CYS A 31 4.883 3.532 -2.148 1.00 1.00 N ATOM 414 CA CYS A 31 4.567 2.169 -1.786 1.00 1.00 C ATOM 415 C CYS A 31 3.157 1.803 -2.239 1.00 1.00 C ATOM 416 O CYS A 31 2.288 2.668 -2.346 1.00 1.00 O ATOM 417 CB CYS A 31 4.703 2.019 -0.278 1.00 1.00 C ATOM 418 SG CYS A 31 6.318 2.551 0.378 1.00 1.00 S ATOM 0 H CYS A 31 5.174 4.117 -1.365 1.00 1.00 H new ATOM 0 HA CYS A 31 5.259 1.490 -2.284 1.00 1.00 H new ATOM 0 HB2 CYS A 31 3.917 2.598 0.207 1.00 1.00 H new ATOM 0 HB3 CYS A 31 4.540 0.975 -0.011 1.00 1.00 H new ATOM 423 N ARG A 32 2.935 0.522 -2.514 1.00 1.00 N ATOM 424 CA ARG A 32 1.627 0.060 -2.965 1.00 1.00 C ATOM 425 C ARG A 32 0.927 -0.748 -1.881 1.00 1.00 C ATOM 426 O ARG A 32 1.559 -1.515 -1.159 1.00 1.00 O ATOM 427 CB ARG A 32 1.751 -0.781 -4.244 1.00 1.00 C ATOM 428 CG ARG A 32 3.172 -0.905 -4.776 1.00 1.00 C ATOM 429 CD ARG A 32 3.184 -1.338 -6.233 1.00 1.00 C ATOM 430 NE ARG A 32 4.539 -1.406 -6.775 1.00 1.00 N ATOM 431 CZ ARG A 32 5.374 -2.420 -6.559 1.00 1.00 C ATOM 432 NH1 ARG A 32 4.999 -3.450 -5.811 1.00 1.00 N ATOM 433 NH2 ARG A 32 6.588 -2.403 -7.092 1.00 1.00 N ATOM 0 H ARG A 32 3.639 -0.211 -2.433 1.00 1.00 H new ATOM 0 HA ARG A 32 1.027 0.943 -3.183 1.00 1.00 H new ATOM 0 HB2 ARG A 32 1.360 -1.780 -4.048 1.00 1.00 H new ATOM 0 HB3 ARG A 32 1.123 -0.339 -5.018 1.00 1.00 H new ATOM 0 HG2 ARG A 32 3.684 0.052 -4.675 1.00 1.00 H new ATOM 0 HG3 ARG A 32 3.725 -1.628 -4.176 1.00 1.00 H new ATOM 0 HD2 ARG A 32 2.708 -2.314 -6.325 1.00 1.00 H new ATOM 0 HD3 ARG A 32 2.592 -0.638 -6.824 1.00 1.00 H new ATOM 0 HE ARG A 32 4.864 -0.631 -7.353 1.00 1.00 H new ATOM 0 HH11 ARG A 32 4.067 -3.468 -5.398 1.00 1.00 H new ATOM 0 HH12 ARG A 32 5.643 -4.224 -5.649 1.00 1.00 H new ATOM 0 HH21 ARG A 32 6.882 -1.613 -7.667 1.00 1.00 H new ATOM 0 HH22 ARG A 32 7.228 -3.180 -6.927 1.00 1.00 H new ATOM 447 N CYS A 33 -0.384 -0.576 -1.781 1.00 1.00 N ATOM 448 CA CYS A 33 -1.176 -1.297 -0.794 1.00 1.00 C ATOM 449 C CYS A 33 -2.138 -2.252 -1.490 1.00 1.00 C ATOM 450 O CYS A 33 -2.929 -1.837 -2.337 1.00 1.00 O ATOM 451 CB CYS A 33 -1.945 -0.317 0.094 1.00 1.00 C ATOM 452 SG CYS A 33 -1.746 -0.618 1.879 1.00 1.00 S ATOM 0 H CYS A 33 -0.922 0.057 -2.372 1.00 1.00 H new ATOM 0 HA CYS A 33 -0.503 -1.877 -0.162 1.00 1.00 H new ATOM 0 HB2 CYS A 33 -1.615 0.697 -0.132 1.00 1.00 H new ATOM 0 HB3 CYS A 33 -3.004 -0.371 -0.157 1.00 1.00 H new ATOM 457 N ARG A 34 -2.058 -3.532 -1.137 1.00 1.00 N ATOM 458 CA ARG A 34 -2.916 -4.544 -1.746 1.00 1.00 C ATOM 459 C ARG A 34 -3.092 -5.742 -0.824 1.00 1.00 C ATOM 460 O ARG A 34 -2.464 -5.822 0.226 1.00 1.00 O ATOM 461 CB ARG A 34 -2.324 -5.000 -3.081 1.00 1.00 C ATOM 462 CG ARG A 34 -3.370 -5.314 -4.137 1.00 1.00 C ATOM 463 CD ARG A 34 -2.805 -5.169 -5.540 1.00 1.00 C ATOM 464 NE ARG A 34 -3.356 -6.163 -6.458 1.00 1.00 N ATOM 465 CZ ARG A 34 -2.791 -6.497 -7.616 1.00 1.00 C ATOM 466 NH1 ARG A 34 -1.660 -5.920 -8.001 1.00 1.00 N ATOM 467 NH2 ARG A 34 -3.359 -7.411 -8.390 1.00 1.00 N ATOM 0 H ARG A 34 -1.411 -3.892 -0.436 1.00 1.00 H new ATOM 0 HA ARG A 34 -3.895 -4.097 -1.917 1.00 1.00 H new ATOM 0 HB2 ARG A 34 -1.661 -4.222 -3.459 1.00 1.00 H new ATOM 0 HB3 ARG A 34 -1.712 -5.886 -2.913 1.00 1.00 H new ATOM 0 HG2 ARG A 34 -3.738 -6.330 -3.995 1.00 1.00 H new ATOM 0 HG3 ARG A 34 -4.223 -4.646 -4.016 1.00 1.00 H new ATOM 0 HD2 ARG A 34 -3.021 -4.169 -5.916 1.00 1.00 H new ATOM 0 HD3 ARG A 34 -1.720 -5.269 -5.506 1.00 1.00 H new ATOM 0 HE ARG A 34 -4.225 -6.629 -6.196 1.00 1.00 H new ATOM 0 HH11 ARG A 34 -1.219 -5.217 -7.409 1.00 1.00 H new ATOM 0 HH12 ARG A 34 -1.232 -6.180 -8.889 1.00 1.00 H new ATOM 0 HH21 ARG A 34 -4.228 -7.858 -8.098 1.00 1.00 H new ATOM 0 HH22 ARG A 34 -2.927 -7.668 -9.278 1.00 1.00 H new ATOM 481 N ASN A 35 -3.954 -6.671 -1.227 1.00 1.00 N ATOM 482 CA ASN A 35 -4.224 -7.873 -0.437 1.00 1.00 C ATOM 483 C ASN A 35 -2.939 -8.480 0.124 1.00 1.00 C ATOM 484 O ASN A 35 -1.836 -8.130 -0.296 1.00 1.00 O ATOM 485 CB ASN A 35 -4.961 -8.910 -1.287 1.00 1.00 C ATOM 486 CG ASN A 35 -5.688 -9.937 -0.442 1.00 1.00 C ATOM 487 OD1 ASN A 35 -6.550 -9.595 0.368 1.00 1.00 O ATOM 488 ND2 ASN A 35 -5.345 -11.207 -0.627 1.00 1.00 N ATOM 0 H ASN A 35 -4.480 -6.616 -2.099 1.00 1.00 H new ATOM 0 HA ASN A 35 -4.852 -7.580 0.404 1.00 1.00 H new ATOM 0 HB2 ASN A 35 -5.677 -8.403 -1.934 1.00 1.00 H new ATOM 0 HB3 ASN A 35 -4.248 -9.417 -1.937 1.00 1.00 H new ATOM 0 HD21 ASN A 35 -5.801 -11.942 -0.087 1.00 1.00 H new ATOM 0 HD22 ASN A 35 -4.625 -11.447 -1.309 1.00 1.00 H new ATOM 495 N ASN A 36 -3.095 -9.389 1.082 1.00 1.00 N ATOM 496 CA ASN A 36 -1.950 -10.043 1.712 1.00 1.00 C ATOM 497 C ASN A 36 -1.255 -10.990 0.739 1.00 1.00 C ATOM 498 O ASN A 36 -0.199 -10.670 0.193 1.00 1.00 O ATOM 499 CB ASN A 36 -2.380 -10.804 2.975 1.00 1.00 C ATOM 500 CG ASN A 36 -3.767 -11.413 2.867 1.00 1.00 C ATOM 501 OD1 ASN A 36 -4.074 -12.119 1.906 1.00 1.00 O ATOM 502 ND2 ASN A 36 -4.612 -11.140 3.854 1.00 1.00 N ATOM 0 H ASN A 36 -4.002 -9.690 1.439 1.00 1.00 H new ATOM 0 HA ASN A 36 -1.243 -9.265 1.999 1.00 1.00 H new ATOM 0 HB2 ASN A 36 -1.658 -11.595 3.177 1.00 1.00 H new ATOM 0 HB3 ASN A 36 -2.355 -10.124 3.827 1.00 1.00 H new ATOM 0 HD21 ASN A 36 -5.558 -11.520 3.835 1.00 1.00 H new ATOM 0 HD22 ASN A 36 -4.315 -10.550 4.631 1.00 1.00 H new ATOM 509 N SER A 37 -1.852 -12.153 0.529 1.00 1.00 N ATOM 510 CA SER A 37 -1.293 -13.149 -0.377 1.00 1.00 C ATOM 511 C SER A 37 -1.974 -13.088 -1.740 1.00 1.00 C ATOM 512 O SER A 37 -3.220 -13.166 -1.782 1.00 1.00 O ATOM 513 CB SER A 37 -1.441 -14.551 0.218 1.00 1.00 C ATOM 514 OG SER A 37 -0.310 -15.352 -0.075 1.00 1.00 O ATOM 0 H SER A 37 -2.726 -12.432 0.974 1.00 1.00 H new ATOM 0 HA SER A 37 -0.234 -12.928 -0.510 1.00 1.00 H new ATOM 0 HB2 SER A 37 -1.570 -14.479 1.298 1.00 1.00 H new ATOM 0 HB3 SER A 37 -2.339 -15.025 -0.179 1.00 1.00 H new ATOM 0 HG SER A 37 -0.429 -16.242 0.318 1.00 1.00 H new HETATM 520 N NH2 A 38 -1.257 -12.962 -2.755 1.00 1.00 N TER 521 NH2 A 38