USER MOD reduce.3.24.130724 H: found=0, std=0, add=247, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 249 hydrogens (2 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 GLU N :NH3+ 134:sc= 0.0184 (180deg=-0.00243) USER MOD Single : A 6 ASN : amide:sc= -0.235 X(o=-0.24,f=-0.29) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 ASN : amide:sc=0.000392 X(o=0.00039,f=-0.32) USER MOD Single : A 35 ASN : amide:sc= -0.0573 X(o=-0.057,f=-0.18) USER MOD Single : A 36 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.985 -5.078 -2.846 1.00 0.00 N ATOM 2 CA GLU A 1 10.860 -5.648 -1.482 1.00 0.00 C ATOM 3 C GLU A 1 9.446 -5.336 -0.912 1.00 0.00 C ATOM 4 O GLU A 1 8.891 -4.253 -1.127 1.00 0.00 O ATOM 5 CB GLU A 1 11.988 -5.063 -0.576 1.00 0.00 C ATOM 6 CG GLU A 1 12.111 -3.534 -0.329 1.00 0.00 C ATOM 7 CD GLU A 1 11.117 -2.944 0.681 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.041 -3.309 1.854 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.329 -1.971 0.125 1.00 0.00 O ATOM 0 H1 GLU A 1 11.894 -4.581 -2.932 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.941 -5.844 -3.548 1.00 0.00 H new ATOM 0 H3 GLU A 1 10.207 -4.409 -3.015 1.00 0.00 H new ATOM 0 HA GLU A 1 10.975 -6.732 -1.513 1.00 0.00 H new ATOM 0 HB2 GLU A 1 11.889 -5.536 0.401 1.00 0.00 H new ATOM 0 HB3 GLU A 1 12.938 -5.395 -0.996 1.00 0.00 H new ATOM 0 HG2 GLU A 1 13.123 -3.320 0.016 1.00 0.00 H new ATOM 0 HG3 GLU A 1 11.983 -3.019 -1.281 1.00 0.00 H new ATOM 18 N CYS A 2 8.891 -6.294 -0.141 1.00 0.00 N ATOM 19 CA CYS A 2 7.603 -6.113 0.576 1.00 0.00 C ATOM 20 C CYS A 2 7.686 -5.286 1.876 1.00 0.00 C ATOM 21 O CYS A 2 8.627 -5.260 2.673 1.00 0.00 O ATOM 22 CB CYS A 2 7.073 -7.532 0.895 1.00 0.00 C ATOM 23 SG CYS A 2 6.144 -8.006 2.375 1.00 0.00 S ATOM 0 H CYS A 2 9.316 -7.210 0.004 1.00 0.00 H new ATOM 0 HA CYS A 2 6.941 -5.538 -0.071 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.444 -7.810 0.049 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.945 -8.186 0.871 1.00 0.00 H new ATOM 28 N VAL A 3 6.537 -4.619 1.965 1.00 0.00 N ATOM 29 CA VAL A 3 6.155 -3.645 3.025 1.00 0.00 C ATOM 30 C VAL A 3 4.741 -4.073 3.547 1.00 0.00 C ATOM 31 O VAL A 3 3.843 -4.094 2.701 1.00 0.00 O ATOM 32 CB VAL A 3 6.097 -2.194 2.418 1.00 0.00 C ATOM 33 CG1 VAL A 3 5.632 -1.096 3.406 1.00 0.00 C ATOM 34 CG2 VAL A 3 7.424 -1.704 1.784 1.00 0.00 C ATOM 0 H VAL A 3 5.799 -4.739 1.271 1.00 0.00 H new ATOM 0 HA VAL A 3 6.881 -3.639 3.838 1.00 0.00 H new ATOM 0 HB VAL A 3 5.346 -2.325 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 3 5.623 -0.131 2.900 1.00 0.00 H new ATOM 0 HG12 VAL A 3 4.628 -1.328 3.762 1.00 0.00 H new ATOM 0 HG13 VAL A 3 6.317 -1.055 4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 3 7.290 -0.696 1.392 1.00 0.00 H new ATOM 0 HG22 VAL A 3 8.208 -1.698 2.541 1.00 0.00 H new ATOM 0 HG23 VAL A 3 7.709 -2.374 0.972 1.00 0.00 H new ATOM 44 N PRO A 4 4.412 -4.409 4.829 1.00 0.00 N ATOM 45 CA PRO A 4 3.002 -4.595 5.266 1.00 0.00 C ATOM 46 C PRO A 4 2.300 -3.262 5.650 1.00 0.00 C ATOM 47 O PRO A 4 2.733 -2.168 5.278 1.00 0.00 O ATOM 48 CB PRO A 4 3.186 -5.591 6.412 1.00 0.00 C ATOM 49 CG PRO A 4 4.381 -4.967 7.103 1.00 0.00 C ATOM 50 CD PRO A 4 5.358 -4.646 5.943 1.00 0.00 C ATOM 0 HA PRO A 4 2.324 -4.959 4.494 1.00 0.00 H new ATOM 0 HB2 PRO A 4 2.311 -5.649 7.060 1.00 0.00 H new ATOM 0 HB3 PRO A 4 3.388 -6.602 6.059 1.00 0.00 H new ATOM 0 HG2 PRO A 4 4.101 -4.067 7.650 1.00 0.00 H new ATOM 0 HG3 PRO A 4 4.828 -5.652 7.824 1.00 0.00 H new ATOM 0 HD2 PRO A 4 5.974 -3.771 6.153 1.00 0.00 H new ATOM 0 HD3 PRO A 4 6.038 -5.473 5.737 1.00 0.00 H new ATOM 58 N GLU A 5 1.205 -3.411 6.399 1.00 0.00 N ATOM 59 CA GLU A 5 0.233 -2.353 6.710 1.00 0.00 C ATOM 60 C GLU A 5 0.823 -1.129 7.412 1.00 0.00 C ATOM 61 O GLU A 5 1.791 -1.209 8.177 1.00 0.00 O ATOM 62 CB GLU A 5 -0.811 -2.967 7.630 1.00 0.00 C ATOM 63 CG GLU A 5 -2.220 -2.418 7.431 1.00 0.00 C ATOM 64 CD GLU A 5 -2.642 -0.988 7.781 1.00 0.00 C ATOM 65 OE1 GLU A 5 -3.015 -0.164 6.948 1.00 0.00 O ATOM 66 OE2 GLU A 5 -2.581 -0.748 9.128 1.00 0.00 O ATOM 0 H GLU A 5 0.959 -4.305 6.823 1.00 0.00 H new ATOM 0 HA GLU A 5 -0.168 -1.994 5.762 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -0.828 -4.046 7.473 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -0.511 -2.800 8.664 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -2.452 -2.553 6.375 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -2.884 -3.076 7.991 1.00 0.00 H new ATOM 74 N ASN A 6 0.182 -0.001 7.064 1.00 0.00 N ATOM 75 CA ASN A 6 0.628 1.399 7.391 1.00 0.00 C ATOM 76 C ASN A 6 2.163 1.691 7.120 1.00 0.00 C ATOM 77 O ASN A 6 2.687 2.714 7.573 1.00 0.00 O ATOM 78 CB ASN A 6 0.218 1.680 8.878 1.00 0.00 C ATOM 79 CG ASN A 6 0.776 0.866 10.044 1.00 0.00 C ATOM 80 OD1 ASN A 6 1.974 0.856 10.326 1.00 0.00 O ATOM 81 ND2 ASN A 6 -0.104 0.209 10.761 1.00 0.00 N ATOM 0 H ASN A 6 -0.688 -0.019 6.532 1.00 0.00 H new ATOM 0 HA ASN A 6 0.129 2.088 6.710 1.00 0.00 H new ATOM 0 HB2 ASN A 6 0.463 2.723 9.079 1.00 0.00 H new ATOM 0 HB3 ASN A 6 -0.867 1.592 8.926 1.00 0.00 H new ATOM 0 HD21 ASN A 6 0.199 -0.327 11.574 1.00 0.00 H new ATOM 0 HD22 ASN A 6 -1.091 0.234 10.505 1.00 0.00 H new ATOM 88 N GLY A 7 2.837 0.844 6.310 1.00 0.00 N ATOM 89 CA GLY A 7 4.170 1.088 5.752 1.00 0.00 C ATOM 90 C GLY A 7 3.928 1.759 4.406 1.00 0.00 C ATOM 91 O GLY A 7 3.062 1.370 3.607 1.00 0.00 O ATOM 0 H GLY A 7 2.449 -0.054 6.022 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.760 1.727 6.409 1.00 0.00 H new ATOM 0 HA3 GLY A 7 4.723 0.156 5.633 1.00 0.00 H new ATOM 95 N HIS A 8 4.749 2.786 4.236 1.00 0.00 N ATOM 96 CA HIS A 8 4.602 3.770 3.134 1.00 0.00 C ATOM 97 C HIS A 8 5.148 3.125 1.841 1.00 0.00 C ATOM 98 O HIS A 8 6.325 2.740 1.802 1.00 0.00 O ATOM 99 CB HIS A 8 5.363 5.083 3.473 1.00 0.00 C ATOM 100 CG HIS A 8 4.811 5.858 4.681 1.00 0.00 C ATOM 101 ND1 HIS A 8 5.518 6.036 5.866 1.00 0.00 N ATOM 102 CD2 HIS A 8 3.515 6.406 4.790 1.00 0.00 C ATOM 103 CE1 HIS A 8 4.553 6.688 6.594 1.00 0.00 C ATOM 104 NE2 HIS A 8 3.331 6.957 6.041 1.00 0.00 N ATOM 0 H HIS A 8 5.541 2.974 4.850 1.00 0.00 H new ATOM 0 HA HIS A 8 3.553 4.033 2.997 1.00 0.00 H new ATOM 0 HB2 HIS A 8 6.409 4.841 3.662 1.00 0.00 H new ATOM 0 HB3 HIS A 8 5.340 5.735 2.600 1.00 0.00 H new ATOM 0 HD2 HIS A 8 2.773 6.395 4.005 1.00 0.00 H new ATOM 0 HE1 HIS A 8 4.760 6.990 7.610 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.519 7.429 6.439 1.00 0.00 H new ATOM 112 N CYS A 9 4.289 2.976 0.805 1.00 0.00 N ATOM 113 CA CYS A 9 4.655 2.140 -0.357 1.00 0.00 C ATOM 114 C CYS A 9 4.681 2.978 -1.672 1.00 0.00 C ATOM 115 O CYS A 9 4.676 4.216 -1.680 1.00 0.00 O ATOM 116 CB CYS A 9 3.630 0.978 -0.324 1.00 0.00 C ATOM 117 SG CYS A 9 1.957 1.428 -0.794 1.00 0.00 S ATOM 0 H CYS A 9 3.367 3.409 0.751 1.00 0.00 H new ATOM 0 HA CYS A 9 5.668 1.739 -0.317 1.00 0.00 H new ATOM 0 HB2 CYS A 9 3.978 0.188 -0.989 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.609 0.561 0.683 1.00 0.00 H new ATOM 122 N ARG A 10 4.831 2.258 -2.792 1.00 0.00 N ATOM 123 CA ARG A 10 5.105 2.817 -4.128 1.00 0.00 C ATOM 124 C ARG A 10 5.026 1.586 -5.066 1.00 0.00 C ATOM 125 O ARG A 10 5.842 0.660 -4.969 1.00 0.00 O ATOM 126 CB ARG A 10 6.508 3.501 -4.212 1.00 0.00 C ATOM 127 CG ARG A 10 6.902 4.106 -5.575 1.00 0.00 C ATOM 128 CD ARG A 10 6.079 5.340 -5.993 1.00 0.00 C ATOM 129 NE ARG A 10 6.413 5.812 -7.360 1.00 0.00 N ATOM 130 CZ ARG A 10 7.415 6.656 -7.673 1.00 0.00 C ATOM 131 NH1 ARG A 10 8.255 7.178 -6.782 1.00 0.00 N ATOM 132 NH2 ARG A 10 7.575 6.981 -8.942 1.00 0.00 N ATOM 0 H ARG A 10 4.764 1.240 -2.796 1.00 0.00 H new ATOM 0 HA ARG A 10 4.399 3.604 -4.392 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.546 4.293 -3.464 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.263 2.765 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 10 7.956 4.383 -5.544 1.00 0.00 H new ATOM 0 HG3 ARG A 10 6.796 3.339 -6.342 1.00 0.00 H new ATOM 0 HD2 ARG A 10 5.017 5.097 -5.946 1.00 0.00 H new ATOM 0 HD3 ARG A 10 6.254 6.147 -5.281 1.00 0.00 H new ATOM 0 HE ARG A 10 5.835 5.468 -8.127 1.00 0.00 H new ATOM 0 HH11 ARG A 10 8.160 6.944 -5.794 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.993 7.812 -7.088 1.00 0.00 H new ATOM 0 HH21 ARG A 10 6.950 6.595 -9.650 1.00 0.00 H new ATOM 0 HH22 ARG A 10 8.324 7.618 -9.215 1.00 0.00 H new ATOM 145 N ASP A 11 4.045 1.597 -5.984 1.00 0.00 N ATOM 146 CA ASP A 11 3.836 0.487 -6.967 1.00 0.00 C ATOM 147 C ASP A 11 4.796 0.586 -8.215 1.00 0.00 C ATOM 148 O ASP A 11 4.380 0.560 -9.377 1.00 0.00 O ATOM 149 CB ASP A 11 2.330 0.570 -7.352 1.00 0.00 C ATOM 150 CG ASP A 11 1.783 -0.676 -8.066 1.00 0.00 C ATOM 151 OD1 ASP A 11 1.562 -1.742 -7.493 1.00 0.00 O ATOM 152 OD2 ASP A 11 1.567 -0.459 -9.403 1.00 0.00 O ATOM 0 H ASP A 11 3.374 2.360 -6.077 1.00 0.00 H new ATOM 0 HA ASP A 11 4.084 -0.483 -6.535 1.00 0.00 H new ATOM 0 HB2 ASP A 11 1.746 0.740 -6.447 1.00 0.00 H new ATOM 0 HB3 ASP A 11 2.180 1.437 -7.996 1.00 0.00 H new ATOM 158 N TRP A 12 6.103 0.669 -7.924 1.00 0.00 N ATOM 159 CA TRP A 12 7.206 0.908 -8.894 1.00 0.00 C ATOM 160 C TRP A 12 8.545 0.480 -8.205 1.00 0.00 C ATOM 161 O TRP A 12 9.287 -0.304 -8.803 1.00 0.00 O ATOM 162 CB TRP A 12 7.317 2.410 -9.322 1.00 0.00 C ATOM 163 CG TRP A 12 6.214 2.972 -10.228 1.00 0.00 C ATOM 164 CD1 TRP A 12 5.033 3.621 -9.801 1.00 0.00 C ATOM 165 CD2 TRP A 12 6.152 2.963 -11.609 1.00 0.00 C ATOM 166 NE1 TRP A 12 4.233 4.015 -10.886 1.00 0.00 N ATOM 167 CE2 TRP A 12 4.945 3.597 -11.999 1.00 0.00 C ATOM 168 CE3 TRP A 12 7.041 2.447 -12.587 1.00 0.00 C ATOM 169 CZ2 TRP A 12 4.618 3.718 -13.371 1.00 0.00 C ATOM 170 CZ3 TRP A 12 6.698 2.580 -13.933 1.00 0.00 C ATOM 171 CH2 TRP A 12 5.505 3.205 -14.320 1.00 0.00 C ATOM 0 H TRP A 12 6.445 0.568 -6.968 1.00 0.00 H new ATOM 0 HA TRP A 12 7.002 0.330 -9.795 1.00 0.00 H new ATOM 0 HB2 TRP A 12 7.350 3.016 -8.417 1.00 0.00 H new ATOM 0 HB3 TRP A 12 8.271 2.545 -9.831 1.00 0.00 H new ATOM 0 HD1 TRP A 12 4.777 3.793 -8.766 1.00 0.00 H new ATOM 0 HE1 TRP A 12 3.335 4.498 -10.861 1.00 0.00 H new ATOM 0 HE3 TRP A 12 7.962 1.963 -12.296 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 3.700 4.198 -13.678 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 7.364 2.194 -14.690 1.00 0.00 H new ATOM 0 HH2 TRP A 12 5.267 3.291 -15.370 1.00 0.00 H new ATOM 182 N TYR A 13 8.870 1.004 -6.994 1.00 0.00 N ATOM 183 CA TYR A 13 10.193 0.815 -6.337 1.00 0.00 C ATOM 184 C TYR A 13 10.000 0.018 -5.007 1.00 0.00 C ATOM 185 O TYR A 13 10.399 -1.150 -4.969 1.00 0.00 O ATOM 186 CB TYR A 13 10.842 2.219 -6.103 1.00 0.00 C ATOM 187 CG TYR A 13 11.232 2.993 -7.380 1.00 0.00 C ATOM 188 CD1 TYR A 13 12.406 2.672 -8.070 1.00 0.00 C ATOM 189 CD2 TYR A 13 10.395 3.997 -7.881 1.00 0.00 C ATOM 190 CE1 TYR A 13 12.733 3.340 -9.248 1.00 0.00 C ATOM 191 CE2 TYR A 13 10.722 4.661 -9.060 1.00 0.00 C ATOM 192 CZ TYR A 13 11.891 4.333 -9.743 1.00 0.00 C ATOM 193 OH TYR A 13 12.208 4.984 -10.907 1.00 0.00 O ATOM 0 H TYR A 13 8.223 1.570 -6.445 1.00 0.00 H new ATOM 0 HA TYR A 13 10.866 0.235 -6.968 1.00 0.00 H new ATOM 0 HB2 TYR A 13 10.147 2.830 -5.527 1.00 0.00 H new ATOM 0 HB3 TYR A 13 11.735 2.090 -5.491 1.00 0.00 H new ATOM 0 HD1 TYR A 13 13.061 1.903 -7.688 1.00 0.00 H new ATOM 0 HD2 TYR A 13 9.491 4.258 -7.350 1.00 0.00 H new ATOM 0 HE1 TYR A 13 13.640 3.088 -9.778 1.00 0.00 H new ATOM 0 HE2 TYR A 13 10.069 5.430 -9.445 1.00 0.00 H new ATOM 0 HH TYR A 13 11.514 5.646 -11.111 1.00 0.00 H new ATOM 203 N ASP A 14 9.405 0.605 -3.940 1.00 0.00 N ATOM 204 CA ASP A 14 9.213 -0.082 -2.629 1.00 0.00 C ATOM 205 C ASP A 14 7.748 -0.594 -2.564 1.00 0.00 C ATOM 206 O ASP A 14 6.829 0.124 -2.162 1.00 0.00 O ATOM 207 CB ASP A 14 9.516 0.907 -1.467 1.00 0.00 C ATOM 208 CG ASP A 14 11.001 1.260 -1.293 1.00 0.00 C ATOM 209 OD1 ASP A 14 11.785 0.584 -0.627 1.00 0.00 O ATOM 210 OD2 ASP A 14 11.346 2.403 -1.968 1.00 0.00 O ATOM 0 H ASP A 14 9.046 1.559 -3.958 1.00 0.00 H new ATOM 0 HA ASP A 14 9.896 -0.926 -2.530 1.00 0.00 H new ATOM 0 HB2 ASP A 14 8.956 1.827 -1.636 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.148 0.476 -0.536 1.00 0.00 H new ATOM 216 N GLU A 15 7.545 -1.854 -2.984 1.00 0.00 N ATOM 217 CA GLU A 15 6.193 -2.429 -3.209 1.00 0.00 C ATOM 218 C GLU A 15 5.557 -2.983 -1.895 1.00 0.00 C ATOM 219 O GLU A 15 6.235 -3.482 -0.986 1.00 0.00 O ATOM 220 CB GLU A 15 6.388 -3.545 -4.283 1.00 0.00 C ATOM 221 CG GLU A 15 5.122 -4.188 -4.893 1.00 0.00 C ATOM 222 CD GLU A 15 4.195 -3.218 -5.632 1.00 0.00 C ATOM 223 OE1 GLU A 15 3.234 -2.663 -5.098 1.00 0.00 O ATOM 224 OE2 GLU A 15 4.561 -3.042 -6.942 1.00 0.00 O ATOM 0 H GLU A 15 8.305 -2.506 -3.178 1.00 0.00 H new ATOM 0 HA GLU A 15 5.493 -1.666 -3.550 1.00 0.00 H new ATOM 0 HB2 GLU A 15 6.977 -3.125 -5.099 1.00 0.00 H new ATOM 0 HB3 GLU A 15 6.985 -4.340 -3.835 1.00 0.00 H new ATOM 0 HG2 GLU A 15 5.429 -4.972 -5.585 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.557 -4.670 -4.095 1.00 0.00 H new ATOM 232 N CYS A 16 4.211 -2.932 -1.819 1.00 0.00 N ATOM 233 CA CYS A 16 3.473 -3.588 -0.719 1.00 0.00 C ATOM 234 C CYS A 16 3.356 -5.120 -0.980 1.00 0.00 C ATOM 235 O CYS A 16 3.394 -5.639 -2.100 1.00 0.00 O ATOM 236 CB CYS A 16 2.081 -2.954 -0.583 1.00 0.00 C ATOM 237 SG CYS A 16 1.469 -3.489 0.995 1.00 0.00 S ATOM 0 H CYS A 16 3.619 -2.450 -2.496 1.00 0.00 H new ATOM 0 HA CYS A 16 4.019 -3.445 0.213 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.138 -1.867 -0.634 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.422 -3.276 -1.389 1.00 0.00 H new ATOM 242 N CYS A 17 3.229 -5.813 0.152 1.00 0.00 N ATOM 243 CA CYS A 17 3.310 -7.304 0.253 1.00 0.00 C ATOM 244 C CYS A 17 2.226 -8.094 -0.555 1.00 0.00 C ATOM 245 O CYS A 17 1.244 -7.544 -1.060 1.00 0.00 O ATOM 246 CB CYS A 17 3.117 -7.574 1.759 1.00 0.00 C ATOM 247 SG CYS A 17 4.507 -6.920 2.680 1.00 0.00 S ATOM 0 H CYS A 17 3.063 -5.362 1.052 1.00 0.00 H new ATOM 0 HA CYS A 17 4.253 -7.647 -0.172 1.00 0.00 H new ATOM 0 HB2 CYS A 17 2.192 -7.113 2.104 1.00 0.00 H new ATOM 0 HB3 CYS A 17 3.024 -8.646 1.936 1.00 0.00 H new ATOM 252 N GLU A 18 2.442 -9.424 -0.655 1.00 0.00 N ATOM 253 CA GLU A 18 1.476 -10.383 -1.245 1.00 0.00 C ATOM 254 C GLU A 18 0.520 -10.841 -0.102 1.00 0.00 C ATOM 255 O GLU A 18 0.740 -11.799 0.647 1.00 0.00 O ATOM 256 CB GLU A 18 2.261 -11.564 -1.881 1.00 0.00 C ATOM 257 CG GLU A 18 1.388 -12.540 -2.701 1.00 0.00 C ATOM 258 CD GLU A 18 2.201 -13.670 -3.336 1.00 0.00 C ATOM 259 OE1 GLU A 18 2.648 -13.623 -4.482 1.00 0.00 O ATOM 260 OE2 GLU A 18 2.370 -14.731 -2.483 1.00 0.00 O ATOM 0 H GLU A 18 3.299 -9.868 -0.326 1.00 0.00 H new ATOM 0 HA GLU A 18 0.879 -9.935 -2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 18 3.040 -11.161 -2.528 1.00 0.00 H new ATOM 0 HB3 GLU A 18 2.761 -12.121 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 18 0.623 -12.968 -2.053 1.00 0.00 H new ATOM 0 HG3 GLU A 18 0.870 -11.987 -3.484 1.00 0.00 H new ATOM 268 N GLY A 19 -0.534 -10.042 -0.018 1.00 0.00 N ATOM 269 CA GLY A 19 -1.521 -10.029 1.066 1.00 0.00 C ATOM 270 C GLY A 19 -2.104 -8.624 1.400 1.00 0.00 C ATOM 271 O GLY A 19 -3.156 -8.563 2.042 1.00 0.00 O ATOM 0 H GLY A 19 -0.739 -9.348 -0.737 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -2.342 -10.694 0.799 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -1.059 -10.438 1.964 1.00 0.00 H new ATOM 275 N PHE A 20 -1.451 -7.518 0.973 1.00 0.00 N ATOM 276 CA PHE A 20 -2.021 -6.145 1.043 1.00 0.00 C ATOM 277 C PHE A 20 -1.733 -5.465 -0.329 1.00 0.00 C ATOM 278 O PHE A 20 -0.666 -5.620 -0.934 1.00 0.00 O ATOM 279 CB PHE A 20 -1.378 -5.274 2.162 1.00 0.00 C ATOM 280 CG PHE A 20 -1.350 -5.810 3.609 1.00 0.00 C ATOM 281 CD1 PHE A 20 -0.334 -6.677 4.026 1.00 0.00 C ATOM 282 CD2 PHE A 20 -2.326 -5.418 4.529 1.00 0.00 C ATOM 283 CE1 PHE A 20 -0.311 -7.164 5.331 1.00 0.00 C ATOM 284 CE2 PHE A 20 -2.313 -5.916 5.829 1.00 0.00 C ATOM 285 CZ PHE A 20 -1.303 -6.786 6.230 1.00 0.00 C ATOM 0 H PHE A 20 -0.515 -7.549 0.570 1.00 0.00 H new ATOM 0 HA PHE A 20 -3.084 -6.224 1.269 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.349 -5.069 1.868 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -1.902 -4.318 2.176 1.00 0.00 H new ATOM 0 HD1 PHE A 20 0.438 -6.971 3.331 1.00 0.00 H new ATOM 0 HD2 PHE A 20 -3.097 -4.723 4.229 1.00 0.00 H new ATOM 0 HE1 PHE A 20 0.476 -7.834 5.644 1.00 0.00 H new ATOM 0 HE2 PHE A 20 -3.086 -5.628 6.526 1.00 0.00 H new ATOM 0 HZ PHE A 20 -1.290 -7.168 7.240 1.00 0.00 H new ATOM 295 N TYR A 21 -2.704 -4.676 -0.796 1.00 0.00 N ATOM 296 CA TYR A 21 -2.543 -3.840 -2.019 1.00 0.00 C ATOM 297 C TYR A 21 -2.020 -2.433 -1.601 1.00 0.00 C ATOM 298 O TYR A 21 -2.407 -1.881 -0.564 1.00 0.00 O ATOM 299 CB TYR A 21 -3.905 -3.747 -2.782 1.00 0.00 C ATOM 300 CG TYR A 21 -5.034 -2.813 -2.286 1.00 0.00 C ATOM 301 CD1 TYR A 21 -5.097 -1.487 -2.735 1.00 0.00 C ATOM 302 CD2 TYR A 21 -6.022 -3.286 -1.420 1.00 0.00 C ATOM 303 CE1 TYR A 21 -6.131 -0.652 -2.322 1.00 0.00 C ATOM 304 CE2 TYR A 21 -7.062 -2.454 -1.014 1.00 0.00 C ATOM 305 CZ TYR A 21 -7.116 -1.137 -1.466 1.00 0.00 C ATOM 306 OH TYR A 21 -8.126 -0.310 -1.048 1.00 0.00 O ATOM 0 H TYR A 21 -3.619 -4.589 -0.353 1.00 0.00 H new ATOM 0 HA TYR A 21 -1.818 -4.292 -2.696 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -3.677 -3.456 -3.807 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -4.318 -4.755 -2.821 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -4.339 -1.111 -3.406 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -5.979 -4.304 -1.063 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -6.169 0.371 -2.665 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -7.826 -2.829 -0.349 1.00 0.00 H new ATOM 0 HH TYR A 21 -8.730 -0.805 -0.456 1.00 0.00 H new ATOM 316 N CYS A 22 -1.168 -1.843 -2.455 1.00 0.00 N ATOM 317 CA CYS A 22 -0.570 -0.513 -2.199 1.00 0.00 C ATOM 318 C CYS A 22 -1.578 0.613 -2.599 1.00 0.00 C ATOM 319 O CYS A 22 -1.690 1.005 -3.765 1.00 0.00 O ATOM 320 CB CYS A 22 0.741 -0.453 -3.022 1.00 0.00 C ATOM 321 SG CYS A 22 1.657 1.074 -2.744 1.00 0.00 S ATOM 0 H CYS A 22 -0.873 -2.266 -3.335 1.00 0.00 H new ATOM 0 HA CYS A 22 -0.347 -0.360 -1.143 1.00 0.00 H new ATOM 0 HB2 CYS A 22 1.370 -1.304 -2.761 1.00 0.00 H new ATOM 0 HB3 CYS A 22 0.506 -0.545 -4.082 1.00 0.00 H new ATOM 326 N SER A 23 -2.314 1.109 -1.586 1.00 0.00 N ATOM 327 CA SER A 23 -3.284 2.234 -1.717 1.00 0.00 C ATOM 328 C SER A 23 -2.565 3.612 -1.814 1.00 0.00 C ATOM 329 O SER A 23 -2.154 4.179 -0.794 1.00 0.00 O ATOM 330 CB SER A 23 -4.183 2.186 -0.467 1.00 0.00 C ATOM 331 OG SER A 23 -5.178 3.200 -0.510 1.00 0.00 O ATOM 0 H SER A 23 -2.257 0.740 -0.637 1.00 0.00 H new ATOM 0 HA SER A 23 -3.863 2.125 -2.634 1.00 0.00 H new ATOM 0 HB2 SER A 23 -4.659 1.208 -0.396 1.00 0.00 H new ATOM 0 HB3 SER A 23 -3.573 2.309 0.428 1.00 0.00 H new ATOM 0 HG SER A 23 -5.735 3.146 0.294 1.00 0.00 H new ATOM 337 N CYS A 24 -2.390 4.125 -3.047 1.00 0.00 N ATOM 338 CA CYS A 24 -1.538 5.316 -3.320 1.00 0.00 C ATOM 339 C CYS A 24 -2.498 6.481 -3.683 1.00 0.00 C ATOM 340 O CYS A 24 -2.709 6.803 -4.858 1.00 0.00 O ATOM 341 CB CYS A 24 -0.529 4.999 -4.438 1.00 0.00 C ATOM 342 SG CYS A 24 0.475 3.591 -3.952 1.00 0.00 S ATOM 0 H CYS A 24 -2.828 3.735 -3.881 1.00 0.00 H new ATOM 0 HA CYS A 24 -0.942 5.601 -2.453 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.055 4.781 -5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 24 0.106 5.865 -4.627 1.00 0.00 H new ATOM 347 N ARG A 25 -3.103 7.087 -2.647 1.00 0.00 N ATOM 348 CA ARG A 25 -4.225 8.061 -2.824 1.00 0.00 C ATOM 349 C ARG A 25 -3.755 9.424 -3.424 1.00 0.00 C ATOM 350 O ARG A 25 -4.363 9.876 -4.399 1.00 0.00 O ATOM 351 CB ARG A 25 -4.903 8.270 -1.435 1.00 0.00 C ATOM 352 CG ARG A 25 -5.527 7.034 -0.729 1.00 0.00 C ATOM 353 CD ARG A 25 -6.647 6.271 -1.473 1.00 0.00 C ATOM 354 NE ARG A 25 -6.122 5.367 -2.528 1.00 0.00 N ATOM 355 CZ ARG A 25 -6.845 4.439 -3.181 1.00 0.00 C ATOM 356 NH1 ARG A 25 -8.140 4.218 -2.966 1.00 0.00 N ATOM 357 NH2 ARG A 25 -6.230 3.700 -4.086 1.00 0.00 N ATOM 0 H ARG A 25 -2.843 6.928 -1.674 1.00 0.00 H new ATOM 0 HA ARG A 25 -4.934 7.651 -3.543 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -4.159 8.697 -0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -5.689 9.016 -1.557 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -4.724 6.328 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -5.925 7.362 0.231 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -7.223 5.688 -0.754 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.333 6.989 -1.924 1.00 0.00 H new ATOM 0 HE ARG A 25 -5.137 5.457 -2.777 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.643 4.769 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.629 3.497 -3.497 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -5.237 3.842 -4.271 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -6.748 2.987 -4.600 1.00 0.00 H new ATOM 370 N GLN A 26 -2.692 10.046 -2.884 1.00 0.00 N ATOM 371 CA GLN A 26 -2.030 11.220 -3.514 1.00 0.00 C ATOM 372 C GLN A 26 -0.589 10.751 -3.904 1.00 0.00 C ATOM 373 O GLN A 26 0.305 10.870 -3.062 1.00 0.00 O ATOM 374 CB GLN A 26 -2.010 12.426 -2.531 1.00 0.00 C ATOM 375 CG GLN A 26 -3.388 13.078 -2.272 1.00 0.00 C ATOM 376 CD GLN A 26 -3.315 14.267 -1.300 1.00 0.00 C ATOM 377 OE1 GLN A 26 -3.304 14.096 -0.081 1.00 0.00 O ATOM 378 NE2 GLN A 26 -3.266 15.489 -1.810 1.00 0.00 N ATOM 0 H GLN A 26 -2.264 9.757 -2.004 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.566 11.564 -4.398 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -1.597 12.093 -1.579 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -1.333 13.185 -2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -3.808 13.415 -3.219 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -4.069 12.328 -1.870 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -3.276 15.620 -2.821 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.219 16.298 -1.191 1.00 0.00 H new ATOM 387 N PRO A 27 -0.296 10.193 -5.120 1.00 0.00 N ATOM 388 CA PRO A 27 1.013 9.549 -5.421 1.00 0.00 C ATOM 389 C PRO A 27 2.197 10.574 -5.572 1.00 0.00 C ATOM 390 O PRO A 27 1.954 11.659 -6.116 1.00 0.00 O ATOM 391 CB PRO A 27 0.731 8.770 -6.719 1.00 0.00 C ATOM 392 CG PRO A 27 -0.447 9.490 -7.378 1.00 0.00 C ATOM 393 CD PRO A 27 -1.281 10.009 -6.205 1.00 0.00 C ATOM 0 HA PRO A 27 1.355 8.910 -4.607 1.00 0.00 H new ATOM 0 HB2 PRO A 27 1.604 8.766 -7.372 1.00 0.00 H new ATOM 0 HB3 PRO A 27 0.486 7.729 -6.507 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -0.107 10.306 -8.016 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -1.025 8.813 -8.007 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -1.780 10.945 -6.454 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -2.058 9.299 -5.923 1.00 0.00 H new ATOM 401 N PRO A 28 3.459 10.309 -5.113 1.00 0.00 N ATOM 402 CA PRO A 28 3.925 8.973 -4.622 1.00 0.00 C ATOM 403 C PRO A 28 3.629 8.604 -3.123 1.00 0.00 C ATOM 404 O PRO A 28 4.072 7.533 -2.696 1.00 0.00 O ATOM 405 CB PRO A 28 5.440 9.070 -4.904 1.00 0.00 C ATOM 406 CG PRO A 28 5.792 10.547 -4.735 1.00 0.00 C ATOM 407 CD PRO A 28 4.568 11.270 -5.293 1.00 0.00 C ATOM 0 HA PRO A 28 3.385 8.166 -5.118 1.00 0.00 H new ATOM 0 HB2 PRO A 28 6.009 8.449 -4.212 1.00 0.00 H new ATOM 0 HB3 PRO A 28 5.675 8.723 -5.910 1.00 0.00 H new ATOM 0 HG2 PRO A 28 5.967 10.801 -3.690 1.00 0.00 H new ATOM 0 HG3 PRO A 28 6.697 10.809 -5.282 1.00 0.00 H new ATOM 0 HD2 PRO A 28 4.378 12.201 -4.758 1.00 0.00 H new ATOM 0 HD3 PRO A 28 4.704 11.528 -6.343 1.00 0.00 H new ATOM 415 N LYS A 29 2.876 9.413 -2.341 1.00 0.00 N ATOM 416 CA LYS A 29 2.509 9.087 -0.932 1.00 0.00 C ATOM 417 C LYS A 29 1.421 7.967 -0.930 1.00 0.00 C ATOM 418 O LYS A 29 0.371 8.073 -1.575 1.00 0.00 O ATOM 419 CB LYS A 29 1.948 10.341 -0.203 1.00 0.00 C ATOM 420 CG LYS A 29 2.944 11.510 -0.024 1.00 0.00 C ATOM 421 CD LYS A 29 2.325 12.714 0.713 1.00 0.00 C ATOM 422 CE LYS A 29 3.317 13.879 0.878 1.00 0.00 C ATOM 423 NZ LYS A 29 2.699 15.016 1.583 1.00 0.00 N ATOM 0 H LYS A 29 2.505 10.307 -2.662 1.00 0.00 H new ATOM 0 HA LYS A 29 3.403 8.748 -0.409 1.00 0.00 H new ATOM 0 HB2 LYS A 29 1.083 10.705 -0.758 1.00 0.00 H new ATOM 0 HB3 LYS A 29 1.591 10.038 0.781 1.00 0.00 H new ATOM 0 HG2 LYS A 29 3.814 11.158 0.531 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.299 11.832 -1.003 1.00 0.00 H new ATOM 0 HD2 LYS A 29 1.450 13.061 0.163 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.978 12.395 1.696 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.192 13.538 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.666 14.203 -0.102 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.393 15.784 1.678 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 1.879 15.356 1.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.388 14.711 2.528 1.00 0.00 H new ATOM 436 N CYS A 30 1.738 6.880 -0.211 1.00 0.00 N ATOM 437 CA CYS A 30 0.961 5.612 -0.243 1.00 0.00 C ATOM 438 C CYS A 30 1.123 4.871 1.110 1.00 0.00 C ATOM 439 O CYS A 30 1.982 5.185 1.932 1.00 0.00 O ATOM 440 CB CYS A 30 1.514 4.668 -1.330 1.00 0.00 C ATOM 441 SG CYS A 30 0.373 3.473 -1.965 1.00 0.00 S ATOM 0 H CYS A 30 2.543 6.846 0.415 1.00 0.00 H new ATOM 0 HA CYS A 30 -0.081 5.863 -0.443 1.00 0.00 H new ATOM 0 HB2 CYS A 30 1.876 5.274 -2.161 1.00 0.00 H new ATOM 0 HB3 CYS A 30 2.375 4.139 -0.922 1.00 0.00 H new ATOM 446 N ILE A 31 0.305 3.842 1.278 1.00 0.00 N ATOM 447 CA ILE A 31 0.474 2.838 2.376 1.00 0.00 C ATOM 448 C ILE A 31 -0.064 1.493 1.822 1.00 0.00 C ATOM 449 O ILE A 31 -0.753 1.359 0.807 1.00 0.00 O ATOM 450 CB ILE A 31 -0.328 3.061 3.745 1.00 0.00 C ATOM 451 CG1 ILE A 31 -1.759 3.583 3.493 1.00 0.00 C ATOM 452 CG2 ILE A 31 0.460 3.991 4.670 1.00 0.00 C ATOM 453 CD1 ILE A 31 -2.686 3.343 4.687 1.00 0.00 C ATOM 0 H ILE A 31 -0.496 3.660 0.674 1.00 0.00 H new ATOM 0 HA ILE A 31 1.531 2.901 2.636 1.00 0.00 H new ATOM 0 HB ILE A 31 -0.434 2.095 4.240 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -1.720 4.650 3.275 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -2.172 3.092 2.612 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -0.094 4.136 5.598 1.00 0.00 H new ATOM 0 HG22 ILE A 31 1.430 3.547 4.892 1.00 0.00 H new ATOM 0 HG23 ILE A 31 0.606 4.954 4.180 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -3.680 3.728 4.459 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.749 2.274 4.890 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -2.290 3.856 5.564 1.00 0.00 H new ATOM 465 N CYS A 32 0.261 0.483 2.616 1.00 0.00 N ATOM 466 CA CYS A 32 -0.300 -0.840 2.540 1.00 0.00 C ATOM 467 C CYS A 32 -1.663 -0.866 3.267 1.00 0.00 C ATOM 468 O CYS A 32 -1.866 -0.353 4.380 1.00 0.00 O ATOM 469 CB CYS A 32 0.644 -1.739 3.246 1.00 0.00 C ATOM 470 SG CYS A 32 2.082 -2.142 2.305 1.00 0.00 S ATOM 0 H CYS A 32 0.953 0.577 3.359 1.00 0.00 H new ATOM 0 HA CYS A 32 -0.450 -1.147 1.505 1.00 0.00 H new ATOM 0 HB2 CYS A 32 0.952 -1.267 4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 32 0.125 -2.660 3.511 1.00 0.00 H new ATOM 475 N ARG A 33 -2.535 -1.492 2.514 1.00 0.00 N ATOM 476 CA ARG A 33 -3.992 -1.514 2.751 1.00 0.00 C ATOM 477 C ARG A 33 -4.568 -2.898 2.354 1.00 0.00 C ATOM 478 O ARG A 33 -4.330 -3.374 1.243 1.00 0.00 O ATOM 479 CB ARG A 33 -4.530 -0.322 1.910 1.00 0.00 C ATOM 480 CG ARG A 33 -6.053 -0.124 1.889 1.00 0.00 C ATOM 481 CD ARG A 33 -6.801 -0.054 3.236 1.00 0.00 C ATOM 482 NE ARG A 33 -6.342 1.057 4.113 1.00 0.00 N ATOM 483 CZ ARG A 33 -6.110 0.956 5.437 1.00 0.00 C ATOM 484 NH1 ARG A 33 -6.254 -0.166 6.140 1.00 0.00 N ATOM 485 NH2 ARG A 33 -5.716 2.038 6.082 1.00 0.00 N ATOM 0 H ARG A 33 -2.260 -2.023 1.688 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.285 -1.393 3.794 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -4.073 0.593 2.286 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -4.189 -0.449 0.882 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -6.261 0.798 1.345 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -6.486 -0.940 1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -7.868 0.062 3.045 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -6.673 -0.999 3.763 1.00 0.00 H new ATOM 0 HE ARG A 33 -6.191 1.967 3.678 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -6.558 -1.022 5.677 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -6.060 -0.169 7.141 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -5.596 2.917 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -5.532 1.996 7.084 1.00 0.00 H new ATOM 498 N ASN A 34 -5.319 -3.547 3.263 1.00 0.00 N ATOM 499 CA ASN A 34 -5.733 -4.967 3.093 1.00 0.00 C ATOM 500 C ASN A 34 -6.840 -5.124 2.003 1.00 0.00 C ATOM 501 O ASN A 34 -7.862 -4.429 2.010 1.00 0.00 O ATOM 502 CB ASN A 34 -6.245 -5.472 4.474 1.00 0.00 C ATOM 503 CG ASN A 34 -6.464 -6.998 4.563 1.00 0.00 C ATOM 504 OD1 ASN A 34 -7.572 -7.496 4.366 1.00 0.00 O ATOM 505 ND2 ASN A 34 -5.422 -7.766 4.848 1.00 0.00 N ATOM 0 H ASN A 34 -5.655 -3.118 4.125 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.883 -5.559 2.754 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.530 -5.176 5.242 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -7.185 -4.970 4.703 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -5.535 -8.778 4.905 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -4.507 -7.345 5.010 1.00 0.00 H new ATOM 512 N ASN A 35 -6.615 -6.102 1.108 1.00 0.00 N ATOM 513 CA ASN A 35 -7.630 -6.565 0.123 1.00 0.00 C ATOM 514 C ASN A 35 -8.562 -7.602 0.822 1.00 0.00 C ATOM 515 O ASN A 35 -8.105 -8.625 1.347 1.00 0.00 O ATOM 516 CB ASN A 35 -6.929 -7.196 -1.123 1.00 0.00 C ATOM 517 CG ASN A 35 -5.833 -8.276 -0.934 1.00 0.00 C ATOM 518 OD1 ASN A 35 -4.674 -7.964 -0.663 1.00 0.00 O ATOM 519 ND2 ASN A 35 -6.168 -9.548 -1.085 1.00 0.00 N ATOM 0 H ASN A 35 -5.727 -6.599 1.041 1.00 0.00 H new ATOM 0 HA ASN A 35 -8.224 -5.720 -0.226 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -7.709 -7.632 -1.747 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -6.484 -6.380 -1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -5.463 -10.277 -0.977 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -7.131 -9.799 -1.310 1.00 0.00 H new ATOM 526 N ASN A 36 -9.872 -7.293 0.848 1.00 0.00 N ATOM 527 CA ASN A 36 -10.885 -8.119 1.550 1.00 0.00 C ATOM 528 C ASN A 36 -12.178 -8.086 0.703 1.00 0.00 C ATOM 529 O ASN A 36 -12.914 -7.102 0.606 1.00 0.00 O ATOM 530 CB ASN A 36 -11.104 -7.558 2.986 1.00 0.00 C ATOM 531 CG ASN A 36 -11.980 -8.437 3.901 1.00 0.00 C ATOM 532 OD1 ASN A 36 -13.199 -8.280 3.960 1.00 0.00 O ATOM 533 ND2 ASN A 36 -11.383 -9.371 4.628 1.00 0.00 N ATOM 0 H ASN A 36 -10.261 -6.470 0.388 1.00 0.00 H new ATOM 0 HA ASN A 36 -10.561 -9.154 1.659 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -10.132 -7.423 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -11.561 -6.571 2.909 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -11.935 -9.968 5.244 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -10.372 -9.493 4.571 1.00 0.00 H new HETATM 540 N NH2 A 37 -12.554 -9.310 -0.036 1.00 0.00 N TER 543 NH2 A 37