USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 274 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 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 34 LYS NZ :NH3+ -154:sc=-0.00311 (180deg=0) USER MOD Set 2.1: A 8 THR OG1 : rot -43:sc= 0.033 USER MOD Set 2.2: A 9 ASN : amide:sc= 0.118 K(o=0.15,f=-1.6) USER MOD Single : A 4 THR OG1 : rot 11:sc= 0.83 USER MOD Single : A 6 SER OG : rot 22:sc= 0.529 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= -5.61! C(o=-5.6!,f=-5.4!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 THR OG1 : rot -4:sc= 0.617 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc=-0.00973 X(o=-0.0097,f=-0.12) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -2.39! C(o=-2.4!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N THR A 4 3.072 -4.307 -8.755 1.00 0.00 N ATOM 2 CA THR A 4 2.992 -3.636 -7.426 1.00 0.00 C ATOM 3 C THR A 4 3.774 -2.321 -7.470 1.00 0.00 C ATOM 4 O THR A 4 4.087 -1.811 -8.526 1.00 0.00 O ATOM 5 CB THR A 4 3.588 -4.552 -6.356 1.00 0.00 C ATOM 6 OG1 THR A 4 4.018 -5.765 -6.958 1.00 0.00 O ATOM 7 CG2 THR A 4 2.528 -4.855 -5.295 1.00 0.00 C ATOM 0 HA THR A 4 1.949 -3.429 -7.185 1.00 0.00 H new ATOM 0 HB THR A 4 4.439 -4.058 -5.887 1.00 0.00 H new ATOM 0 HG1 THR A 4 4.003 -5.669 -7.933 1.00 0.00 H new ATOM 0 HG21 THR A 4 2.953 -5.508 -4.532 1.00 0.00 H new ATOM 0 HG22 THR A 4 2.199 -3.924 -4.833 1.00 0.00 H new ATOM 0 HG23 THR A 4 1.676 -5.349 -5.762 1.00 0.00 H new ATOM 17 N ILE A 5 4.091 -1.766 -6.331 1.00 0.00 N ATOM 18 CA ILE A 5 4.849 -0.482 -6.318 1.00 0.00 C ATOM 19 C ILE A 5 5.944 -0.540 -5.252 1.00 0.00 C ATOM 20 O ILE A 5 5.990 -1.442 -4.438 1.00 0.00 O ATOM 21 CB ILE A 5 3.901 0.680 -5.995 1.00 0.00 C ATOM 22 CG1 ILE A 5 2.482 0.348 -6.467 1.00 0.00 C ATOM 23 CG2 ILE A 5 4.388 1.942 -6.708 1.00 0.00 C ATOM 24 CD1 ILE A 5 1.496 1.347 -5.853 1.00 0.00 C ATOM 0 H ILE A 5 3.859 -2.144 -5.413 1.00 0.00 H new ATOM 0 HA ILE A 5 5.297 -0.327 -7.300 1.00 0.00 H new ATOM 0 HB ILE A 5 3.890 0.843 -4.917 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.429 0.390 -7.555 1.00 0.00 H new ATOM 0 HG13 ILE A 5 2.218 -0.668 -6.174 1.00 0.00 H new ATOM 0 HG21 ILE A 5 3.717 2.770 -6.481 1.00 0.00 H new ATOM 0 HG22 ILE A 5 5.394 2.187 -6.368 1.00 0.00 H new ATOM 0 HG23 ILE A 5 4.401 1.770 -7.784 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.485 1.113 -6.187 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.543 1.283 -4.766 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.758 2.357 -6.168 1.00 0.00 H new ATOM 36 N SER A 6 6.822 0.425 -5.244 1.00 0.00 N ATOM 37 CA SER A 6 7.911 0.441 -4.227 1.00 0.00 C ATOM 38 C SER A 6 7.756 1.695 -3.364 1.00 0.00 C ATOM 39 O SER A 6 7.666 2.797 -3.870 1.00 0.00 O ATOM 40 CB SER A 6 9.268 0.468 -4.932 1.00 0.00 C ATOM 41 OG SER A 6 9.399 1.687 -5.652 1.00 0.00 O ATOM 0 H SER A 6 6.832 1.206 -5.900 1.00 0.00 H new ATOM 0 HA SER A 6 7.852 -0.450 -3.602 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.072 0.375 -4.202 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.355 -0.380 -5.611 1.00 0.00 H new ATOM 0 HG SER A 6 8.795 2.358 -5.272 1.00 0.00 H new ATOM 47 N CYS A 7 7.710 1.545 -2.068 1.00 0.00 N ATOM 48 CA CYS A 7 7.546 2.742 -1.196 1.00 0.00 C ATOM 49 C CYS A 7 8.516 2.669 -0.010 1.00 0.00 C ATOM 50 O CYS A 7 9.063 1.629 0.298 1.00 0.00 O ATOM 51 CB CYS A 7 6.079 2.814 -0.705 1.00 0.00 C ATOM 52 SG CYS A 7 5.895 2.135 0.976 1.00 0.00 S ATOM 0 H CYS A 7 7.778 0.653 -1.579 1.00 0.00 H new ATOM 0 HA CYS A 7 7.776 3.644 -1.763 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.742 3.850 -0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 7 5.438 2.262 -1.392 1.00 0.00 H new ATOM 57 N THR A 8 8.707 3.767 0.666 1.00 0.00 N ATOM 58 CA THR A 8 9.612 3.775 1.848 1.00 0.00 C ATOM 59 C THR A 8 8.759 3.971 3.104 1.00 0.00 C ATOM 60 O THR A 8 9.194 3.727 4.211 1.00 0.00 O ATOM 61 CB THR A 8 10.624 4.918 1.721 1.00 0.00 C ATOM 62 OG1 THR A 8 10.102 6.083 2.347 1.00 0.00 O ATOM 63 CG2 THR A 8 10.894 5.208 0.243 1.00 0.00 C ATOM 0 H THR A 8 8.273 4.664 0.449 1.00 0.00 H new ATOM 0 HA THR A 8 10.158 2.834 1.909 1.00 0.00 H new ATOM 0 HB THR A 8 11.557 4.630 2.206 1.00 0.00 H new ATOM 0 HG1 THR A 8 9.157 6.186 2.110 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.614 6.022 0.158 1.00 0.00 H new ATOM 0 HG22 THR A 8 11.297 4.315 -0.235 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.964 5.494 -0.248 1.00 0.00 H new ATOM 71 N ASN A 9 7.538 4.403 2.927 1.00 0.00 N ATOM 72 CA ASN A 9 6.633 4.613 4.092 1.00 0.00 C ATOM 73 C ASN A 9 5.199 4.269 3.672 1.00 0.00 C ATOM 74 O ASN A 9 4.907 4.179 2.497 1.00 0.00 O ATOM 75 CB ASN A 9 6.698 6.076 4.545 1.00 0.00 C ATOM 76 CG ASN A 9 7.022 6.973 3.348 1.00 0.00 C ATOM 77 OD1 ASN A 9 8.083 7.565 3.287 1.00 0.00 O ATOM 78 ND2 ASN A 9 6.149 7.100 2.388 1.00 0.00 N ATOM 0 H ASN A 9 7.128 4.620 2.019 1.00 0.00 H new ATOM 0 HA ASN A 9 6.943 3.973 4.918 1.00 0.00 H new ATOM 0 HB2 ASN A 9 5.747 6.372 4.987 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.459 6.194 5.317 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.356 7.696 1.586 1.00 0.00 H new ATOM 0 HD22 ASN A 9 5.259 6.604 2.439 1.00 0.00 H new ATOM 85 N PRO A 10 4.349 4.080 4.647 1.00 0.00 N ATOM 86 CA PRO A 10 2.934 3.734 4.412 1.00 0.00 C ATOM 87 C PRO A 10 2.131 4.961 3.973 1.00 0.00 C ATOM 88 O PRO A 10 1.121 4.850 3.313 1.00 0.00 O ATOM 89 CB PRO A 10 2.455 3.241 5.777 1.00 0.00 C ATOM 90 CG PRO A 10 3.423 3.837 6.826 1.00 0.00 C ATOM 91 CD PRO A 10 4.716 4.200 6.072 1.00 0.00 C ATOM 0 HA PRO A 10 2.809 2.996 3.620 1.00 0.00 H new ATOM 0 HB2 PRO A 10 1.431 3.562 5.968 1.00 0.00 H new ATOM 0 HB3 PRO A 10 2.460 2.152 5.819 1.00 0.00 H new ATOM 0 HG2 PRO A 10 2.989 4.718 7.298 1.00 0.00 H new ATOM 0 HG3 PRO A 10 3.626 3.118 7.620 1.00 0.00 H new ATOM 0 HD2 PRO A 10 5.048 5.209 6.314 1.00 0.00 H new ATOM 0 HD3 PRO A 10 5.532 3.525 6.332 1.00 0.00 H new ATOM 99 N LYS A 11 2.569 6.126 4.347 1.00 0.00 N ATOM 100 CA LYS A 11 1.831 7.364 3.966 1.00 0.00 C ATOM 101 C LYS A 11 1.570 7.389 2.454 1.00 0.00 C ATOM 102 O LYS A 11 0.719 8.114 1.980 1.00 0.00 O ATOM 103 CB LYS A 11 2.663 8.588 4.359 1.00 0.00 C ATOM 104 CG LYS A 11 2.166 9.135 5.698 1.00 0.00 C ATOM 105 CD LYS A 11 2.253 10.662 5.693 1.00 0.00 C ATOM 106 CE LYS A 11 1.221 11.234 6.666 1.00 0.00 C ATOM 107 NZ LYS A 11 0.545 12.407 6.043 1.00 0.00 N ATOM 0 H LYS A 11 3.410 6.278 4.903 1.00 0.00 H new ATOM 0 HA LYS A 11 0.874 7.380 4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.716 8.316 4.433 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.586 9.356 3.589 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.137 8.820 5.872 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.765 8.729 6.513 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.255 10.981 5.980 1.00 0.00 H new ATOM 0 HD3 LYS A 11 2.072 11.044 4.688 1.00 0.00 H new ATOM 0 HE2 LYS A 11 0.486 10.471 6.922 1.00 0.00 H new ATOM 0 HE3 LYS A 11 1.708 11.532 7.595 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -0.157 12.795 6.705 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.252 13.137 5.820 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 0.068 12.109 5.169 1.00 0.00 H new ATOM 121 N GLN A 12 2.296 6.616 1.691 1.00 0.00 N ATOM 122 CA GLN A 12 2.079 6.622 0.212 1.00 0.00 C ATOM 123 C GLN A 12 1.096 5.514 -0.186 1.00 0.00 C ATOM 124 O GLN A 12 0.244 5.701 -1.037 1.00 0.00 O ATOM 125 CB GLN A 12 3.416 6.397 -0.499 1.00 0.00 C ATOM 126 CG GLN A 12 3.832 7.683 -1.216 1.00 0.00 C ATOM 127 CD GLN A 12 4.870 7.358 -2.291 1.00 0.00 C ATOM 128 OE1 GLN A 12 5.915 6.812 -1.999 1.00 0.00 O ATOM 129 NE2 GLN A 12 4.624 7.673 -3.534 1.00 0.00 N ATOM 0 H GLN A 12 3.025 5.985 2.023 1.00 0.00 H new ATOM 0 HA GLN A 12 1.662 7.586 -0.081 1.00 0.00 H new ATOM 0 HB2 GLN A 12 4.180 6.106 0.222 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.327 5.580 -1.216 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.961 8.157 -1.669 1.00 0.00 H new ATOM 0 HG3 GLN A 12 4.245 8.393 -0.500 1.00 0.00 H new ATOM 0 HE21 GLN A 12 3.747 8.131 -3.780 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.309 7.461 -4.259 1.00 0.00 H new ATOM 138 N CYS A 13 1.202 4.364 0.417 1.00 0.00 N ATOM 139 CA CYS A 13 0.269 3.256 0.068 1.00 0.00 C ATOM 140 C CYS A 13 -1.075 3.486 0.762 1.00 0.00 C ATOM 141 O CYS A 13 -2.051 2.812 0.491 1.00 0.00 O ATOM 142 CB CYS A 13 0.864 1.924 0.529 1.00 0.00 C ATOM 143 SG CYS A 13 2.036 1.328 -0.714 1.00 0.00 S ATOM 0 H CYS A 13 1.892 4.143 1.135 1.00 0.00 H new ATOM 0 HA CYS A 13 0.120 3.231 -1.011 1.00 0.00 H new ATOM 0 HB2 CYS A 13 1.367 2.050 1.488 1.00 0.00 H new ATOM 0 HB3 CYS A 13 0.071 1.191 0.678 1.00 0.00 H new ATOM 148 N TYR A 14 -1.134 4.434 1.658 1.00 0.00 N ATOM 149 CA TYR A 14 -2.400 4.712 2.373 1.00 0.00 C ATOM 150 C TYR A 14 -3.434 5.273 1.389 1.00 0.00 C ATOM 151 O TYR A 14 -4.517 4.738 1.266 1.00 0.00 O ATOM 152 CB TYR A 14 -2.125 5.715 3.493 1.00 0.00 C ATOM 153 CG TYR A 14 -2.012 4.983 4.809 1.00 0.00 C ATOM 154 CD1 TYR A 14 -3.079 4.204 5.275 1.00 0.00 C ATOM 155 CD2 TYR A 14 -0.837 5.080 5.562 1.00 0.00 C ATOM 156 CE1 TYR A 14 -2.969 3.525 6.495 1.00 0.00 C ATOM 157 CE2 TYR A 14 -0.726 4.400 6.781 1.00 0.00 C ATOM 158 CZ TYR A 14 -1.792 3.622 7.247 1.00 0.00 C ATOM 159 OH TYR A 14 -1.683 2.952 8.449 1.00 0.00 O ATOM 0 H TYR A 14 -0.350 5.029 1.923 1.00 0.00 H new ATOM 0 HA TYR A 14 -2.797 3.793 2.804 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.204 6.261 3.288 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -2.928 6.451 3.542 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -3.986 4.127 4.694 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -0.014 5.680 5.203 1.00 0.00 H new ATOM 0 HE1 TYR A 14 -3.792 2.926 6.856 1.00 0.00 H new ATOM 0 HE2 TYR A 14 0.182 4.476 7.361 1.00 0.00 H new ATOM 0 HH TYR A 14 -0.802 3.125 8.841 1.00 0.00 H new ATOM 169 N PRO A 15 -3.060 6.322 0.698 1.00 0.00 N ATOM 170 CA PRO A 15 -3.933 6.955 -0.304 1.00 0.00 C ATOM 171 C PRO A 15 -4.019 6.111 -1.581 1.00 0.00 C ATOM 172 O PRO A 15 -5.083 5.921 -2.134 1.00 0.00 O ATOM 173 CB PRO A 15 -3.272 8.310 -0.565 1.00 0.00 C ATOM 174 CG PRO A 15 -1.806 8.202 -0.083 1.00 0.00 C ATOM 175 CD PRO A 15 -1.741 6.974 0.848 1.00 0.00 C ATOM 0 HA PRO A 15 -4.963 7.056 0.039 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -3.311 8.560 -1.625 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -3.795 9.103 -0.031 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.127 8.085 -0.928 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.504 9.106 0.446 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.932 6.302 0.562 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -1.560 7.269 1.882 1.00 0.00 H new ATOM 183 N HIS A 16 -2.918 5.600 -2.052 1.00 0.00 N ATOM 184 CA HIS A 16 -2.962 4.770 -3.289 1.00 0.00 C ATOM 185 C HIS A 16 -3.974 3.637 -3.107 1.00 0.00 C ATOM 186 O HIS A 16 -4.623 3.215 -4.043 1.00 0.00 O ATOM 187 CB HIS A 16 -1.579 4.176 -3.563 1.00 0.00 C ATOM 188 CG HIS A 16 -1.626 3.373 -4.833 1.00 0.00 C ATOM 189 ND1 HIS A 16 -2.130 3.890 -6.015 1.00 0.00 N ATOM 190 CD2 HIS A 16 -1.243 2.087 -5.120 1.00 0.00 C ATOM 191 CE1 HIS A 16 -2.038 2.928 -6.951 1.00 0.00 C ATOM 192 NE2 HIS A 16 -1.503 1.808 -6.459 1.00 0.00 N ATOM 0 H HIS A 16 -1.993 5.719 -1.638 1.00 0.00 H new ATOM 0 HA HIS A 16 -3.259 5.395 -4.131 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -0.839 4.972 -3.650 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -1.271 3.544 -2.730 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -0.806 1.396 -4.414 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -2.358 3.047 -7.976 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -1.323 0.936 -6.957 1.00 0.00 H new ATOM 200 N CYS A 17 -4.107 3.135 -1.909 1.00 0.00 N ATOM 201 CA CYS A 17 -5.072 2.023 -1.671 1.00 0.00 C ATOM 202 C CYS A 17 -6.483 2.587 -1.474 1.00 0.00 C ATOM 203 O CYS A 17 -7.463 1.974 -1.847 1.00 0.00 O ATOM 204 CB CYS A 17 -4.654 1.250 -0.418 1.00 0.00 C ATOM 205 SG CYS A 17 -3.057 0.450 -0.707 1.00 0.00 S ATOM 0 H CYS A 17 -3.590 3.446 -1.086 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.071 1.357 -2.534 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -4.585 1.927 0.434 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -5.408 0.502 -0.171 1.00 0.00 H new ATOM 210 N LYS A 18 -6.596 3.744 -0.881 1.00 0.00 N ATOM 211 CA LYS A 18 -7.944 4.336 -0.651 1.00 0.00 C ATOM 212 C LYS A 18 -8.686 4.493 -1.982 1.00 0.00 C ATOM 213 O LYS A 18 -9.899 4.510 -2.025 1.00 0.00 O ATOM 214 CB LYS A 18 -7.795 5.708 0.009 1.00 0.00 C ATOM 215 CG LYS A 18 -9.179 6.333 0.200 1.00 0.00 C ATOM 216 CD LYS A 18 -9.290 6.911 1.612 1.00 0.00 C ATOM 217 CE LYS A 18 -9.323 8.438 1.537 1.00 0.00 C ATOM 218 NZ LYS A 18 -9.882 8.987 2.805 1.00 0.00 N ATOM 0 H LYS A 18 -5.813 4.305 -0.546 1.00 0.00 H new ATOM 0 HA LYS A 18 -8.514 3.673 0.000 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -7.293 5.608 0.971 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -7.173 6.356 -0.609 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -9.340 7.118 -0.539 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -9.953 5.582 0.041 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -10.193 6.541 2.098 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -8.445 6.584 2.218 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -8.318 8.826 1.372 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -9.931 8.758 0.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -9.904 10.025 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -10.848 8.626 2.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -9.285 8.693 3.604 1.00 0.00 H new ATOM 232 N LYS A 19 -7.972 4.610 -3.068 1.00 0.00 N ATOM 233 CA LYS A 19 -8.650 4.769 -4.386 1.00 0.00 C ATOM 234 C LYS A 19 -8.705 3.418 -5.100 1.00 0.00 C ATOM 235 O LYS A 19 -9.530 3.193 -5.963 1.00 0.00 O ATOM 236 CB LYS A 19 -7.869 5.766 -5.246 1.00 0.00 C ATOM 237 CG LYS A 19 -8.035 7.173 -4.672 1.00 0.00 C ATOM 238 CD LYS A 19 -7.694 8.208 -5.747 1.00 0.00 C ATOM 239 CE LYS A 19 -8.947 9.011 -6.099 1.00 0.00 C ATOM 240 NZ LYS A 19 -9.161 8.973 -7.573 1.00 0.00 N ATOM 0 H LYS A 19 -6.953 4.602 -3.100 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.663 5.139 -4.228 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.814 5.494 -5.270 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -8.229 5.736 -6.274 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -9.058 7.317 -4.325 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.384 7.303 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -6.910 8.875 -5.388 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -7.307 7.710 -6.636 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.814 8.598 -5.584 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -8.838 10.042 -5.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -10.013 9.519 -7.814 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.337 9.387 -8.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.283 7.987 -7.881 1.00 0.00 H new ATOM 254 N GLU A 20 -7.828 2.519 -4.751 1.00 0.00 N ATOM 255 CA GLU A 20 -7.823 1.187 -5.410 1.00 0.00 C ATOM 256 C GLU A 20 -8.979 0.337 -4.874 1.00 0.00 C ATOM 257 O GLU A 20 -9.868 -0.049 -5.607 1.00 0.00 O ATOM 258 CB GLU A 20 -6.493 0.488 -5.123 1.00 0.00 C ATOM 259 CG GLU A 20 -5.402 1.084 -6.014 1.00 0.00 C ATOM 260 CD GLU A 20 -5.233 0.218 -7.264 1.00 0.00 C ATOM 261 OE1 GLU A 20 -6.020 0.380 -8.183 1.00 0.00 O ATOM 262 OE2 GLU A 20 -4.321 -0.592 -7.281 1.00 0.00 O ATOM 0 H GLU A 20 -7.113 2.651 -4.036 1.00 0.00 H new ATOM 0 HA GLU A 20 -7.945 1.314 -6.486 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -6.226 0.608 -4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -6.585 -0.582 -5.308 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.666 2.103 -6.298 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.461 1.139 -5.467 1.00 0.00 H new ATOM 269 N THR A 21 -8.975 0.038 -3.602 1.00 0.00 N ATOM 270 CA THR A 21 -10.077 -0.790 -3.029 1.00 0.00 C ATOM 271 C THR A 21 -10.939 0.066 -2.097 1.00 0.00 C ATOM 272 O THR A 21 -11.887 -0.410 -1.504 1.00 0.00 O ATOM 273 CB THR A 21 -9.480 -1.957 -2.238 1.00 0.00 C ATOM 274 OG1 THR A 21 -10.509 -2.604 -1.504 1.00 0.00 O ATOM 275 CG2 THR A 21 -8.417 -1.429 -1.274 1.00 0.00 C ATOM 0 H THR A 21 -8.259 0.330 -2.937 1.00 0.00 H new ATOM 0 HA THR A 21 -10.695 -1.175 -3.840 1.00 0.00 H new ATOM 0 HB THR A 21 -9.023 -2.668 -2.926 1.00 0.00 H new ATOM 0 HG1 THR A 21 -11.350 -2.113 -1.617 1.00 0.00 H new ATOM 0 HG21 THR A 21 -7.992 -2.260 -0.711 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.628 -0.932 -1.839 1.00 0.00 H new ATOM 0 HG23 THR A 21 -8.872 -0.718 -0.584 1.00 0.00 H new ATOM 283 N GLY A 22 -10.623 1.325 -1.963 1.00 0.00 N ATOM 284 CA GLY A 22 -11.428 2.201 -1.074 1.00 0.00 C ATOM 285 C GLY A 22 -10.816 2.220 0.327 1.00 0.00 C ATOM 286 O GLY A 22 -10.561 3.267 0.889 1.00 0.00 O ATOM 0 H GLY A 22 -9.841 1.783 -2.432 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -11.463 3.212 -1.479 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -12.456 1.841 -1.027 1.00 0.00 H new ATOM 290 N TYR A 23 -10.578 1.071 0.898 1.00 0.00 N ATOM 291 CA TYR A 23 -9.981 1.029 2.263 1.00 0.00 C ATOM 292 C TYR A 23 -8.534 1.534 2.195 1.00 0.00 C ATOM 293 O TYR A 23 -7.790 1.148 1.314 1.00 0.00 O ATOM 294 CB TYR A 23 -9.991 -0.412 2.778 1.00 0.00 C ATOM 295 CG TYR A 23 -11.367 -0.764 3.296 1.00 0.00 C ATOM 296 CD1 TYR A 23 -12.497 -0.090 2.814 1.00 0.00 C ATOM 297 CD2 TYR A 23 -11.513 -1.769 4.261 1.00 0.00 C ATOM 298 CE1 TYR A 23 -13.770 -0.423 3.297 1.00 0.00 C ATOM 299 CE2 TYR A 23 -12.784 -2.100 4.743 1.00 0.00 C ATOM 300 CZ TYR A 23 -13.913 -1.427 4.261 1.00 0.00 C ATOM 301 OH TYR A 23 -15.167 -1.754 4.737 1.00 0.00 O ATOM 0 H TYR A 23 -10.771 0.161 0.479 1.00 0.00 H new ATOM 0 HA TYR A 23 -10.560 1.660 2.937 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -9.709 -1.095 1.977 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -9.253 -0.529 3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -12.387 0.686 2.071 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -10.643 -2.289 4.634 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -14.641 0.096 2.925 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -12.894 -2.875 5.487 1.00 0.00 H new ATOM 0 HH TYR A 23 -15.088 -2.471 5.400 1.00 0.00 H new ATOM 311 N PRO A 24 -8.174 2.388 3.123 1.00 0.00 N ATOM 312 CA PRO A 24 -6.818 2.964 3.188 1.00 0.00 C ATOM 313 C PRO A 24 -5.838 1.973 3.824 1.00 0.00 C ATOM 314 O PRO A 24 -4.659 1.975 3.529 1.00 0.00 O ATOM 315 CB PRO A 24 -6.995 4.195 4.078 1.00 0.00 C ATOM 316 CG PRO A 24 -8.267 3.945 4.923 1.00 0.00 C ATOM 317 CD PRO A 24 -9.080 2.861 4.189 1.00 0.00 C ATOM 0 HA PRO A 24 -6.410 3.204 2.206 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -6.125 4.339 4.719 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -7.100 5.098 3.476 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -8.005 3.618 5.929 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -8.849 4.861 5.027 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.361 2.050 4.861 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -10.003 3.267 3.776 1.00 0.00 H new ATOM 325 N ASN A 25 -6.314 1.133 4.702 1.00 0.00 N ATOM 326 CA ASN A 25 -5.409 0.150 5.363 1.00 0.00 C ATOM 327 C ASN A 25 -4.462 -0.464 4.328 1.00 0.00 C ATOM 328 O ASN A 25 -4.884 -0.989 3.316 1.00 0.00 O ATOM 329 CB ASN A 25 -6.245 -0.954 6.011 1.00 0.00 C ATOM 330 CG ASN A 25 -6.074 -0.899 7.530 1.00 0.00 C ATOM 331 OD1 ASN A 25 -6.189 0.152 8.129 1.00 0.00 O ATOM 332 ND2 ASN A 25 -5.798 -1.994 8.182 1.00 0.00 N ATOM 0 H ASN A 25 -7.291 1.085 4.990 1.00 0.00 H new ATOM 0 HA ASN A 25 -4.821 0.659 6.127 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -7.296 -0.831 5.748 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -5.934 -1.929 5.635 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -5.679 -1.968 9.195 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -5.701 -2.876 7.679 1.00 0.00 H new ATOM 339 N ALA A 26 -3.183 -0.403 4.577 1.00 0.00 N ATOM 340 CA ALA A 26 -2.199 -0.980 3.616 1.00 0.00 C ATOM 341 C ALA A 26 -0.813 -0.995 4.262 1.00 0.00 C ATOM 342 O ALA A 26 -0.521 -0.212 5.143 1.00 0.00 O ATOM 343 CB ALA A 26 -2.160 -0.125 2.348 1.00 0.00 C ATOM 0 H ALA A 26 -2.774 0.024 5.409 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.495 -1.997 3.358 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -1.441 -0.547 1.646 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -3.149 -0.110 1.889 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -1.863 0.892 2.604 1.00 0.00 H new ATOM 349 N LYS A 27 0.046 -1.880 3.832 1.00 0.00 N ATOM 350 CA LYS A 27 1.411 -1.939 4.428 1.00 0.00 C ATOM 351 C LYS A 27 2.438 -2.237 3.332 1.00 0.00 C ATOM 352 O LYS A 27 2.212 -3.052 2.460 1.00 0.00 O ATOM 353 CB LYS A 27 1.459 -3.050 5.479 1.00 0.00 C ATOM 354 CG LYS A 27 0.388 -2.799 6.543 1.00 0.00 C ATOM 355 CD LYS A 27 0.482 -3.877 7.626 1.00 0.00 C ATOM 356 CE LYS A 27 1.738 -3.646 8.471 1.00 0.00 C ATOM 357 NZ LYS A 27 2.260 -4.957 8.952 1.00 0.00 N ATOM 0 H LYS A 27 -0.138 -2.562 3.096 1.00 0.00 H new ATOM 0 HA LYS A 27 1.643 -0.981 4.894 1.00 0.00 H new ATOM 0 HB2 LYS A 27 1.296 -4.019 5.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 2.445 -3.083 5.942 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.523 -1.812 6.985 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -0.602 -2.811 6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.405 -3.849 8.259 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.516 -4.865 7.168 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.498 -3.134 7.880 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.506 -3.002 9.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 3.113 -4.801 9.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 1.535 -5.428 9.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 2.496 -5.557 8.136 1.00 0.00 H new ATOM 371 N CYS A 28 3.572 -1.588 3.374 1.00 0.00 N ATOM 372 CA CYS A 28 4.615 -1.841 2.339 1.00 0.00 C ATOM 373 C CYS A 28 5.472 -3.034 2.769 1.00 0.00 C ATOM 374 O CYS A 28 5.486 -3.417 3.921 1.00 0.00 O ATOM 375 CB CYS A 28 5.504 -0.604 2.188 1.00 0.00 C ATOM 376 SG CYS A 28 5.000 0.341 0.727 1.00 0.00 S ATOM 0 H CYS A 28 3.820 -0.895 4.080 1.00 0.00 H new ATOM 0 HA CYS A 28 4.135 -2.057 1.385 1.00 0.00 H new ATOM 0 HB2 CYS A 28 5.429 0.019 3.079 1.00 0.00 H new ATOM 0 HB3 CYS A 28 6.548 -0.904 2.096 1.00 0.00 H new ATOM 381 N MET A 29 6.193 -3.618 1.852 1.00 0.00 N ATOM 382 CA MET A 29 7.055 -4.780 2.207 1.00 0.00 C ATOM 383 C MET A 29 8.426 -4.603 1.553 1.00 0.00 C ATOM 384 O MET A 29 8.770 -3.531 1.096 1.00 0.00 O ATOM 385 CB MET A 29 6.410 -6.075 1.704 1.00 0.00 C ATOM 386 CG MET A 29 5.878 -6.879 2.892 1.00 0.00 C ATOM 387 SD MET A 29 6.825 -8.413 3.058 1.00 0.00 S ATOM 388 CE MET A 29 5.430 -9.505 3.427 1.00 0.00 C ATOM 0 H MET A 29 6.222 -3.340 0.871 1.00 0.00 H new ATOM 0 HA MET A 29 7.167 -4.835 3.290 1.00 0.00 H new ATOM 0 HB2 MET A 29 5.597 -5.845 1.015 1.00 0.00 H new ATOM 0 HB3 MET A 29 7.140 -6.665 1.150 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.956 -6.291 3.806 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.822 -7.105 2.747 1.00 0.00 H new ATOM 0 HE1 MET A 29 5.793 -10.523 3.569 1.00 0.00 H new ATOM 0 HE2 MET A 29 4.933 -9.166 4.336 1.00 0.00 H new ATOM 0 HE3 MET A 29 4.723 -9.484 2.598 1.00 0.00 H new ATOM 398 N ASN A 30 9.212 -5.641 1.501 1.00 0.00 N ATOM 399 CA ASN A 30 10.556 -5.521 0.872 1.00 0.00 C ATOM 400 C ASN A 30 10.412 -4.897 -0.517 1.00 0.00 C ATOM 401 O ASN A 30 10.213 -5.584 -1.500 1.00 0.00 O ATOM 402 CB ASN A 30 11.189 -6.908 0.748 1.00 0.00 C ATOM 403 CG ASN A 30 10.322 -7.789 -0.153 1.00 0.00 C ATOM 404 OD1 ASN A 30 9.177 -7.474 -0.410 1.00 0.00 O ATOM 405 ND2 ASN A 30 10.823 -8.887 -0.647 1.00 0.00 N ATOM 0 H ASN A 30 8.983 -6.565 1.866 1.00 0.00 H new ATOM 0 HA ASN A 30 11.193 -4.888 1.491 1.00 0.00 H new ATOM 0 HB2 ASN A 30 12.194 -6.825 0.334 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.287 -7.363 1.733 1.00 0.00 H new ATOM 0 HD21 ASN A 30 10.254 -9.482 -1.249 1.00 0.00 H new ATOM 0 HD22 ASN A 30 11.784 -9.151 -0.431 1.00 0.00 H new ATOM 412 N ARG A 31 10.509 -3.598 -0.608 1.00 0.00 N ATOM 413 CA ARG A 31 10.375 -2.930 -1.935 1.00 0.00 C ATOM 414 C ARG A 31 9.048 -3.341 -2.577 1.00 0.00 C ATOM 415 O ARG A 31 8.980 -3.618 -3.757 1.00 0.00 O ATOM 416 CB ARG A 31 11.531 -3.352 -2.845 1.00 0.00 C ATOM 417 CG ARG A 31 12.793 -2.567 -2.480 1.00 0.00 C ATOM 418 CD ARG A 31 12.601 -1.091 -2.837 1.00 0.00 C ATOM 419 NE ARG A 31 13.924 -0.404 -2.847 1.00 0.00 N ATOM 420 CZ ARG A 31 14.784 -0.651 -3.800 1.00 0.00 C ATOM 421 NH1 ARG A 31 15.648 -1.621 -3.666 1.00 0.00 N ATOM 422 NH2 ARG A 31 14.780 0.073 -4.885 1.00 0.00 N ATOM 0 H ARG A 31 10.675 -2.971 0.179 1.00 0.00 H new ATOM 0 HA ARG A 31 10.399 -1.849 -1.799 1.00 0.00 H new ATOM 0 HB2 ARG A 31 11.715 -4.421 -2.742 1.00 0.00 H new ATOM 0 HB3 ARG A 31 11.269 -3.172 -3.888 1.00 0.00 H new ATOM 0 HG2 ARG A 31 13.002 -2.670 -1.415 1.00 0.00 H new ATOM 0 HG3 ARG A 31 13.653 -2.972 -3.014 1.00 0.00 H new ATOM 0 HD2 ARG A 31 12.126 -1.001 -3.814 1.00 0.00 H new ATOM 0 HD3 ARG A 31 11.938 -0.615 -2.115 1.00 0.00 H new ATOM 0 HE ARG A 31 14.159 0.260 -2.109 1.00 0.00 H new ATOM 0 HH11 ARG A 31 15.652 -2.187 -2.817 1.00 0.00 H new ATOM 0 HH12 ARG A 31 16.319 -1.813 -4.410 1.00 0.00 H new ATOM 0 HH21 ARG A 31 14.106 0.831 -4.990 1.00 0.00 H new ATOM 0 HH22 ARG A 31 15.451 -0.119 -5.629 1.00 0.00 H new ATOM 436 N LYS A 32 7.993 -3.387 -1.810 1.00 0.00 N ATOM 437 CA LYS A 32 6.676 -3.784 -2.381 1.00 0.00 C ATOM 438 C LYS A 32 5.552 -3.079 -1.621 1.00 0.00 C ATOM 439 O LYS A 32 5.790 -2.191 -0.826 1.00 0.00 O ATOM 440 CB LYS A 32 6.502 -5.298 -2.257 1.00 0.00 C ATOM 441 CG LYS A 32 6.207 -5.891 -3.636 1.00 0.00 C ATOM 442 CD LYS A 32 6.621 -7.364 -3.659 1.00 0.00 C ATOM 443 CE LYS A 32 5.372 -8.247 -3.652 1.00 0.00 C ATOM 444 NZ LYS A 32 5.279 -8.964 -2.348 1.00 0.00 N ATOM 0 H LYS A 32 7.987 -3.167 -0.814 1.00 0.00 H new ATOM 0 HA LYS A 32 6.637 -3.497 -3.432 1.00 0.00 H new ATOM 0 HB2 LYS A 32 7.405 -5.746 -1.842 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.688 -5.526 -1.569 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.145 -5.797 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.748 -5.338 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.220 -7.570 -4.546 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.244 -7.591 -2.794 1.00 0.00 H new ATOM 0 HE2 LYS A 32 4.482 -7.638 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 32 5.416 -8.964 -4.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 4.430 -9.565 -2.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 6.124 -9.557 -2.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 5.218 -8.271 -1.575 1.00 0.00 H new ATOM 458 N CYS A 33 4.330 -3.468 -1.859 1.00 0.00 N ATOM 459 CA CYS A 33 3.193 -2.816 -1.150 1.00 0.00 C ATOM 460 C CYS A 33 1.891 -3.549 -1.477 1.00 0.00 C ATOM 461 O CYS A 33 1.650 -3.939 -2.603 1.00 0.00 O ATOM 462 CB CYS A 33 3.088 -1.358 -1.600 1.00 0.00 C ATOM 463 SG CYS A 33 1.573 -0.626 -0.935 1.00 0.00 S ATOM 0 H CYS A 33 4.070 -4.207 -2.512 1.00 0.00 H new ATOM 0 HA CYS A 33 3.365 -2.856 -0.074 1.00 0.00 H new ATOM 0 HB2 CYS A 33 3.957 -0.797 -1.255 1.00 0.00 H new ATOM 0 HB3 CYS A 33 3.084 -1.302 -2.689 1.00 0.00 H new ATOM 468 N LYS A 34 1.049 -3.739 -0.497 1.00 0.00 N ATOM 469 CA LYS A 34 -0.240 -4.444 -0.741 1.00 0.00 C ATOM 470 C LYS A 34 -1.348 -3.765 0.068 1.00 0.00 C ATOM 471 O LYS A 34 -1.159 -3.400 1.211 1.00 0.00 O ATOM 472 CB LYS A 34 -0.114 -5.907 -0.307 1.00 0.00 C ATOM 473 CG LYS A 34 -0.073 -6.807 -1.545 1.00 0.00 C ATOM 474 CD LYS A 34 1.225 -7.618 -1.545 1.00 0.00 C ATOM 475 CE LYS A 34 1.786 -7.686 -2.967 1.00 0.00 C ATOM 476 NZ LYS A 34 2.113 -9.100 -3.307 1.00 0.00 N ATOM 0 H LYS A 34 1.200 -3.435 0.465 1.00 0.00 H new ATOM 0 HA LYS A 34 -0.484 -4.402 -1.803 1.00 0.00 H new ATOM 0 HB2 LYS A 34 0.790 -6.045 0.286 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -0.956 -6.183 0.328 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -0.933 -7.477 -1.549 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -0.136 -6.202 -2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 34 1.953 -7.158 -0.877 1.00 0.00 H new ATOM 0 HD3 LYS A 34 1.038 -8.624 -1.168 1.00 0.00 H new ATOM 0 HE2 LYS A 34 1.058 -7.290 -3.675 1.00 0.00 H new ATOM 0 HE3 LYS A 34 2.679 -7.066 -3.047 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 2.861 -9.119 -4.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 2.443 -9.595 -2.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 1.264 -9.574 -3.675 1.00 0.00 H new ATOM 490 N CYS A 35 -2.501 -3.590 -0.517 1.00 0.00 N ATOM 491 CA CYS A 35 -3.615 -2.930 0.220 1.00 0.00 C ATOM 492 C CYS A 35 -4.434 -3.984 0.966 1.00 0.00 C ATOM 493 O CYS A 35 -4.302 -5.169 0.732 1.00 0.00 O ATOM 494 CB CYS A 35 -4.518 -2.196 -0.774 1.00 0.00 C ATOM 495 SG CYS A 35 -3.507 -1.152 -1.851 1.00 0.00 S ATOM 0 H CYS A 35 -2.720 -3.875 -1.472 1.00 0.00 H new ATOM 0 HA CYS A 35 -3.203 -2.218 0.936 1.00 0.00 H new ATOM 0 HB2 CYS A 35 -5.080 -2.915 -1.370 1.00 0.00 H new ATOM 0 HB3 CYS A 35 -5.246 -1.587 -0.239 1.00 0.00 H new ATOM 500 N PHE A 36 -5.283 -3.559 1.862 1.00 0.00 N ATOM 501 CA PHE A 36 -6.115 -4.532 2.624 1.00 0.00 C ATOM 502 C PHE A 36 -7.555 -4.476 2.111 1.00 0.00 C ATOM 503 O PHE A 36 -8.485 -4.268 2.864 1.00 0.00 O ATOM 504 CB PHE A 36 -6.090 -4.171 4.110 1.00 0.00 C ATOM 505 CG PHE A 36 -4.899 -4.824 4.769 1.00 0.00 C ATOM 506 CD1 PHE A 36 -3.671 -4.878 4.100 1.00 0.00 C ATOM 507 CD2 PHE A 36 -5.023 -5.375 6.050 1.00 0.00 C ATOM 508 CE1 PHE A 36 -2.565 -5.483 4.712 1.00 0.00 C ATOM 509 CE2 PHE A 36 -3.918 -5.979 6.662 1.00 0.00 C ATOM 510 CZ PHE A 36 -2.690 -6.034 5.993 1.00 0.00 C ATOM 0 H PHE A 36 -5.436 -2.579 2.099 1.00 0.00 H new ATOM 0 HA PHE A 36 -5.717 -5.538 2.488 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -6.038 -3.089 4.231 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -7.011 -4.501 4.591 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.576 -4.453 3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -5.971 -5.334 6.566 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -1.617 -5.524 4.196 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -4.013 -6.403 7.651 1.00 0.00 H new ATOM 0 HZ PHE A 36 -1.839 -6.502 6.465 1.00 0.00 H new ATOM 520 N GLY A 37 -7.747 -4.658 0.834 1.00 0.00 N ATOM 521 CA GLY A 37 -9.125 -4.614 0.273 1.00 0.00 C ATOM 522 C GLY A 37 -9.980 -5.697 0.932 1.00 0.00 C ATOM 523 O GLY A 37 -11.160 -5.515 1.164 1.00 0.00 O ATOM 0 H GLY A 37 -7.008 -4.836 0.154 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -9.567 -3.633 0.444 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -9.095 -4.766 -0.806 1.00 0.00 H new ATOM 527 N ARG A 38 -9.395 -6.822 1.238 1.00 0.00 N ATOM 528 CA ARG A 38 -10.168 -7.914 1.881 1.00 0.00 C ATOM 529 C ARG A 38 -9.671 -8.115 3.315 1.00 0.00 C ATOM 530 O ARG A 38 -9.457 -9.255 3.692 1.00 0.00 O ATOM 531 CB ARG A 38 -9.986 -9.209 1.087 1.00 0.00 C ATOM 532 CG ARG A 38 -8.514 -9.380 0.709 1.00 0.00 C ATOM 533 CD ARG A 38 -8.148 -10.865 0.742 1.00 0.00 C ATOM 534 NE ARG A 38 -7.601 -11.214 2.083 1.00 0.00 N ATOM 535 CZ ARG A 38 -6.870 -12.285 2.232 1.00 0.00 C ATOM 536 NH1 ARG A 38 -7.423 -13.466 2.177 1.00 0.00 N ATOM 537 NH2 ARG A 38 -5.585 -12.174 2.435 1.00 0.00 N ATOM 538 OXT ARG A 38 -9.513 -7.125 4.010 1.00 0.00 O ATOM 0 H ARG A 38 -8.411 -7.030 1.069 1.00 0.00 H new ATOM 0 HA ARG A 38 -11.225 -7.649 1.898 1.00 0.00 H new ATOM 0 HB2 ARG A 38 -10.320 -10.060 1.680 1.00 0.00 H new ATOM 0 HB3 ARG A 38 -10.602 -9.185 0.188 1.00 0.00 H new ATOM 0 HG2 ARG A 38 -8.333 -8.972 -0.285 1.00 0.00 H new ATOM 0 HG3 ARG A 38 -7.883 -8.823 1.402 1.00 0.00 H new ATOM 0 HD2 ARG A 38 -9.028 -11.472 0.528 1.00 0.00 H new ATOM 0 HD3 ARG A 38 -7.412 -11.086 -0.031 1.00 0.00 H new ATOM 0 HE ARG A 38 -7.798 -10.616 2.885 1.00 0.00 H new ATOM 0 HH11 ARG A 38 -8.427 -13.552 2.018 1.00 0.00 H new ATOM 0 HH12 ARG A 38 -6.851 -14.303 2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 38 -5.153 -11.251 2.477 1.00 0.00 H new ATOM 0 HH22 ARG A 38 -5.013 -13.010 2.552 1.00 0.00 H new TER 552 ARG A 38