USER MOD reduce.3.24.130724 H: found=0, std=0, add=260, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 261 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+ 149:sc= 0.0224 (180deg=0) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc=-0.00331 X(o=-0.0033,f=0) USER MOD Single : A 15 GLN : amide:sc= -0.769 K(o=-0.77,f=-4.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot -50:sc= 0.0765 USER MOD Single : A 21 ASN : amide:sc= -0.186 X(o=-0.19,f=0) USER MOD Single : A 25 SER OG : rot -170:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 HIS : no HD1:sc= -0.434 X(o=-0.43,f=-0.046) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.250 10.524 3.978 1.00 0.00 N ATOM 2 CA GLU A 1 5.750 9.649 2.874 1.00 0.00 C ATOM 3 C GLU A 1 6.035 8.236 3.398 1.00 0.00 C ATOM 4 O GLU A 1 6.384 8.053 4.549 1.00 0.00 O ATOM 5 CB GLU A 1 7.042 10.315 2.388 1.00 0.00 C ATOM 6 CG GLU A 1 6.742 11.168 1.152 1.00 0.00 C ATOM 7 CD GLU A 1 7.570 10.664 -0.033 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.132 9.726 -0.679 1.00 0.00 O ATOM 9 OE2 GLU A 1 8.626 11.224 -0.274 1.00 0.00 O ATOM 0 H1 GLU A 1 5.546 11.506 3.804 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.212 10.477 4.015 1.00 0.00 H new ATOM 0 H3 GLU A 1 5.644 10.199 4.884 1.00 0.00 H new ATOM 0 HA GLU A 1 5.020 9.545 2.071 1.00 0.00 H new ATOM 0 HB2 GLU A 1 7.463 10.936 3.178 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.787 9.556 2.148 1.00 0.00 H new ATOM 0 HG2 GLU A 1 5.680 11.119 0.913 1.00 0.00 H new ATOM 0 HG3 GLU A 1 6.976 12.213 1.354 1.00 0.00 H new ATOM 18 N CYS A 2 5.884 7.239 2.552 1.00 0.00 N ATOM 19 CA CYS A 2 6.137 5.821 2.970 1.00 0.00 C ATOM 20 C CYS A 2 5.181 5.415 4.101 1.00 0.00 C ATOM 21 O CYS A 2 5.426 5.679 5.264 1.00 0.00 O ATOM 22 CB CYS A 2 7.596 5.783 3.443 1.00 0.00 C ATOM 23 SG CYS A 2 8.278 4.125 3.181 1.00 0.00 S ATOM 0 H CYS A 2 5.593 7.351 1.581 1.00 0.00 H new ATOM 0 HA CYS A 2 5.967 5.121 2.152 1.00 0.00 H new ATOM 0 HB2 CYS A 2 8.185 6.520 2.897 1.00 0.00 H new ATOM 0 HB3 CYS A 2 7.653 6.048 4.499 1.00 0.00 H new ATOM 28 N LEU A 3 4.094 4.770 3.762 1.00 0.00 N ATOM 29 CA LEU A 3 3.114 4.337 4.805 1.00 0.00 C ATOM 30 C LEU A 3 3.391 2.885 5.215 1.00 0.00 C ATOM 31 O LEU A 3 3.829 2.079 4.415 1.00 0.00 O ATOM 32 CB LEU A 3 1.737 4.458 4.142 1.00 0.00 C ATOM 33 CG LEU A 3 1.419 5.932 3.866 1.00 0.00 C ATOM 34 CD1 LEU A 3 0.122 6.032 3.061 1.00 0.00 C ATOM 35 CD2 LEU A 3 1.252 6.681 5.192 1.00 0.00 C ATOM 0 H LEU A 3 3.842 4.524 2.805 1.00 0.00 H new ATOM 0 HA LEU A 3 3.179 4.943 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.721 3.893 3.210 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.973 4.027 4.789 1.00 0.00 H new ATOM 0 HG LEU A 3 2.237 6.377 3.299 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -0.104 7.080 2.865 1.00 0.00 H new ATOM 0 HD12 LEU A 3 0.239 5.503 2.115 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -0.694 5.585 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 3 1.026 7.728 4.992 1.00 0.00 H new ATOM 0 HD22 LEU A 3 0.436 6.236 5.761 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.175 6.612 5.767 1.00 0.00 H new ATOM 47 N GLY A 4 3.140 2.546 6.457 1.00 0.00 N ATOM 48 CA GLY A 4 3.391 1.148 6.926 1.00 0.00 C ATOM 49 C GLY A 4 2.310 0.206 6.381 1.00 0.00 C ATOM 50 O GLY A 4 1.422 0.616 5.658 1.00 0.00 O ATOM 0 H GLY A 4 2.771 3.179 7.167 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.375 0.816 6.594 1.00 0.00 H new ATOM 0 HA3 GLY A 4 3.395 1.117 8.016 1.00 0.00 H new ATOM 54 N PHE A 5 2.382 -1.057 6.725 1.00 0.00 N ATOM 55 CA PHE A 5 1.361 -2.034 6.230 1.00 0.00 C ATOM 56 C PHE A 5 0.009 -1.783 6.913 1.00 0.00 C ATOM 57 O PHE A 5 -0.057 -1.495 8.094 1.00 0.00 O ATOM 58 CB PHE A 5 1.908 -3.416 6.610 1.00 0.00 C ATOM 59 CG PHE A 5 0.854 -4.474 6.358 1.00 0.00 C ATOM 60 CD1 PHE A 5 0.552 -4.868 5.048 1.00 0.00 C ATOM 61 CD2 PHE A 5 0.177 -5.058 7.437 1.00 0.00 C ATOM 62 CE1 PHE A 5 -0.426 -5.844 4.819 1.00 0.00 C ATOM 63 CE2 PHE A 5 -0.800 -6.033 7.206 1.00 0.00 C ATOM 64 CZ PHE A 5 -1.101 -6.426 5.897 1.00 0.00 C ATOM 0 H PHE A 5 3.103 -1.454 7.327 1.00 0.00 H new ATOM 0 HA PHE A 5 1.195 -1.945 5.156 1.00 0.00 H new ATOM 0 HB2 PHE A 5 2.803 -3.635 6.027 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.201 -3.425 7.660 1.00 0.00 H new ATOM 0 HD1 PHE A 5 1.073 -4.419 4.215 1.00 0.00 H new ATOM 0 HD2 PHE A 5 0.409 -4.756 8.447 1.00 0.00 H new ATOM 0 HE1 PHE A 5 -0.659 -6.148 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 5 -1.322 -6.482 8.038 1.00 0.00 H new ATOM 0 HZ PHE A 5 -1.855 -7.179 5.719 1.00 0.00 H new ATOM 74 N GLY A 6 -1.066 -1.897 6.174 1.00 0.00 N ATOM 75 CA GLY A 6 -2.420 -1.676 6.765 1.00 0.00 C ATOM 76 C GLY A 6 -2.673 -0.177 6.965 1.00 0.00 C ATOM 77 O GLY A 6 -3.359 0.222 7.888 1.00 0.00 O ATOM 0 H GLY A 6 -1.063 -2.135 5.182 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -3.183 -2.097 6.111 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -2.497 -2.196 7.720 1.00 0.00 H new ATOM 81 N LYS A 7 -2.134 0.654 6.106 1.00 0.00 N ATOM 82 CA LYS A 7 -2.348 2.125 6.241 1.00 0.00 C ATOM 83 C LYS A 7 -3.338 2.608 5.175 1.00 0.00 C ATOM 84 O LYS A 7 -3.158 2.362 3.997 1.00 0.00 O ATOM 85 CB LYS A 7 -0.967 2.748 6.023 1.00 0.00 C ATOM 86 CG LYS A 7 -0.818 3.988 6.906 1.00 0.00 C ATOM 87 CD LYS A 7 -0.416 3.568 8.323 1.00 0.00 C ATOM 88 CE LYS A 7 -1.420 4.137 9.330 1.00 0.00 C ATOM 89 NZ LYS A 7 -1.127 3.437 10.613 1.00 0.00 N ATOM 0 H LYS A 7 -1.554 0.374 5.315 1.00 0.00 H new ATOM 0 HA LYS A 7 -2.765 2.400 7.210 1.00 0.00 H new ATOM 0 HB2 LYS A 7 -0.188 2.024 6.262 1.00 0.00 H new ATOM 0 HB3 LYS A 7 -0.840 3.018 4.975 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.065 4.656 6.487 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.756 4.542 6.933 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -0.387 2.481 8.397 1.00 0.00 H new ATOM 0 HD3 LYS A 7 0.587 3.929 8.550 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -1.304 5.216 9.435 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -2.446 3.956 9.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -1.777 3.777 11.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -1.252 2.412 10.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -0.147 3.633 10.899 1.00 0.00 H new ATOM 103 N GLY A 8 -4.386 3.284 5.586 1.00 0.00 N ATOM 104 CA GLY A 8 -5.405 3.782 4.610 1.00 0.00 C ATOM 105 C GLY A 8 -4.730 4.623 3.521 1.00 0.00 C ATOM 106 O GLY A 8 -4.204 5.687 3.785 1.00 0.00 O ATOM 0 H GLY A 8 -4.579 3.513 6.561 1.00 0.00 H new ATOM 0 HA2 GLY A 8 -5.927 2.939 4.157 1.00 0.00 H new ATOM 0 HA3 GLY A 8 -6.154 4.380 5.129 1.00 0.00 H new ATOM 110 N CYS A 9 -4.744 4.148 2.299 1.00 0.00 N ATOM 111 CA CYS A 9 -4.106 4.913 1.182 1.00 0.00 C ATOM 112 C CYS A 9 -4.855 4.664 -0.136 1.00 0.00 C ATOM 113 O CYS A 9 -5.740 3.830 -0.212 1.00 0.00 O ATOM 114 CB CYS A 9 -2.670 4.384 1.103 1.00 0.00 C ATOM 115 SG CYS A 9 -2.666 2.715 0.399 1.00 0.00 S ATOM 0 H CYS A 9 -5.170 3.262 2.027 1.00 0.00 H new ATOM 0 HA CYS A 9 -4.131 5.989 1.354 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -2.062 5.048 0.489 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -2.223 4.370 2.097 1.00 0.00 H new ATOM 120 N ASN A 10 -4.505 5.385 -1.174 1.00 0.00 N ATOM 121 CA ASN A 10 -5.192 5.201 -2.491 1.00 0.00 C ATOM 122 C ASN A 10 -4.366 4.286 -3.404 1.00 0.00 C ATOM 123 O ASN A 10 -3.153 4.360 -3.414 1.00 0.00 O ATOM 124 CB ASN A 10 -5.283 6.607 -3.093 1.00 0.00 C ATOM 125 CG ASN A 10 -6.614 7.251 -2.699 1.00 0.00 C ATOM 126 OD1 ASN A 10 -6.806 7.630 -1.560 1.00 0.00 O ATOM 127 ND2 ASN A 10 -7.549 7.394 -3.599 1.00 0.00 N ATOM 0 H ASN A 10 -3.772 6.094 -1.166 1.00 0.00 H new ATOM 0 HA ASN A 10 -6.172 4.737 -2.378 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -4.453 7.219 -2.740 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -5.201 6.554 -4.179 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -8.439 7.823 -3.346 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.389 7.077 -4.555 1.00 0.00 H new ATOM 134 N PRO A 11 -5.055 3.453 -4.151 1.00 0.00 N ATOM 135 CA PRO A 11 -4.370 2.517 -5.086 1.00 0.00 C ATOM 136 C PRO A 11 -3.743 3.278 -6.266 1.00 0.00 C ATOM 137 O PRO A 11 -2.688 2.915 -6.752 1.00 0.00 O ATOM 138 CB PRO A 11 -5.494 1.597 -5.560 1.00 0.00 C ATOM 139 CG PRO A 11 -6.747 2.393 -5.378 1.00 0.00 C ATOM 140 CD PRO A 11 -6.517 3.304 -4.201 1.00 0.00 C ATOM 0 HA PRO A 11 -3.549 1.974 -4.617 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.356 1.310 -6.603 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -5.523 0.676 -4.977 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -6.972 2.970 -6.275 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -7.599 1.737 -5.199 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -7.012 4.265 -4.337 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.907 2.872 -3.279 1.00 0.00 H new ATOM 148 N SER A 12 -4.381 4.328 -6.724 1.00 0.00 N ATOM 149 CA SER A 12 -3.823 5.116 -7.868 1.00 0.00 C ATOM 150 C SER A 12 -2.549 5.853 -7.437 1.00 0.00 C ATOM 151 O SER A 12 -1.569 5.887 -8.157 1.00 0.00 O ATOM 152 CB SER A 12 -4.917 6.119 -8.235 1.00 0.00 C ATOM 153 OG SER A 12 -4.653 6.651 -9.525 1.00 0.00 O ATOM 0 H SER A 12 -5.266 4.674 -6.354 1.00 0.00 H new ATOM 0 HA SER A 12 -3.554 4.478 -8.710 1.00 0.00 H new ATOM 0 HB2 SER A 12 -5.892 5.632 -8.223 1.00 0.00 H new ATOM 0 HB3 SER A 12 -4.952 6.922 -7.498 1.00 0.00 H new ATOM 0 HG SER A 12 -5.354 7.293 -9.764 1.00 0.00 H new ATOM 159 N ASN A 13 -2.561 6.442 -6.266 1.00 0.00 N ATOM 160 CA ASN A 13 -1.358 7.182 -5.777 1.00 0.00 C ATOM 161 C ASN A 13 -0.309 6.203 -5.238 1.00 0.00 C ATOM 162 O ASN A 13 0.869 6.336 -5.514 1.00 0.00 O ATOM 163 CB ASN A 13 -1.879 8.089 -4.659 1.00 0.00 C ATOM 164 CG ASN A 13 -0.774 9.053 -4.221 1.00 0.00 C ATOM 165 OD1 ASN A 13 -0.396 9.938 -4.962 1.00 0.00 O ATOM 166 ND2 ASN A 13 -0.236 8.917 -3.040 1.00 0.00 N ATOM 0 H ASN A 13 -3.356 6.441 -5.626 1.00 0.00 H new ATOM 0 HA ASN A 13 -0.874 7.751 -6.570 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -2.747 8.649 -5.007 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -2.207 7.487 -3.812 1.00 0.00 H new ATOM 0 HD21 ASN A 13 0.502 9.554 -2.739 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -0.553 8.174 -2.418 1.00 0.00 H new ATOM 173 N ASP A 14 -0.736 5.225 -4.475 1.00 0.00 N ATOM 174 CA ASP A 14 0.213 4.217 -3.901 1.00 0.00 C ATOM 175 C ASP A 14 1.287 4.910 -3.050 1.00 0.00 C ATOM 176 O ASP A 14 2.397 5.140 -3.495 1.00 0.00 O ATOM 177 CB ASP A 14 0.837 3.509 -5.110 1.00 0.00 C ATOM 178 CG ASP A 14 1.245 2.088 -4.715 1.00 0.00 C ATOM 179 OD1 ASP A 14 2.353 1.923 -4.230 1.00 0.00 O ATOM 180 OD2 ASP A 14 0.441 1.189 -4.901 1.00 0.00 O ATOM 0 H ASP A 14 -1.714 5.080 -4.222 1.00 0.00 H new ATOM 0 HA ASP A 14 -0.292 3.510 -3.242 1.00 0.00 H new ATOM 0 HB2 ASP A 14 0.125 3.478 -5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 14 1.707 4.064 -5.461 1.00 0.00 H new ATOM 185 N GLN A 15 0.960 5.241 -1.825 1.00 0.00 N ATOM 186 CA GLN A 15 1.953 5.917 -0.934 1.00 0.00 C ATOM 187 C GLN A 15 2.498 4.937 0.119 1.00 0.00 C ATOM 188 O GLN A 15 3.017 5.347 1.142 1.00 0.00 O ATOM 189 CB GLN A 15 1.169 7.048 -0.261 1.00 0.00 C ATOM 190 CG GLN A 15 1.833 8.392 -0.572 1.00 0.00 C ATOM 191 CD GLN A 15 3.137 8.520 0.222 1.00 0.00 C ATOM 192 OE1 GLN A 15 3.137 8.426 1.434 1.00 0.00 O ATOM 193 NE2 GLN A 15 4.256 8.730 -0.417 1.00 0.00 N ATOM 0 H GLN A 15 0.047 5.072 -1.403 1.00 0.00 H new ATOM 0 HA GLN A 15 2.816 6.285 -1.489 1.00 0.00 H new ATOM 0 HB2 GLN A 15 0.138 7.050 -0.615 1.00 0.00 H new ATOM 0 HB3 GLN A 15 1.135 6.889 0.817 1.00 0.00 H new ATOM 0 HG2 GLN A 15 2.037 8.469 -1.640 1.00 0.00 H new ATOM 0 HG3 GLN A 15 1.159 9.209 -0.317 1.00 0.00 H new ATOM 0 HE21 GLN A 15 4.256 8.809 -1.434 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.131 8.815 0.101 1.00 0.00 H new ATOM 202 N CYS A 16 2.390 3.649 -0.120 1.00 0.00 N ATOM 203 CA CYS A 16 2.905 2.651 0.871 1.00 0.00 C ATOM 204 C CYS A 16 4.439 2.606 0.841 1.00 0.00 C ATOM 205 O CYS A 16 5.071 3.178 -0.029 1.00 0.00 O ATOM 206 CB CYS A 16 2.322 1.306 0.428 1.00 0.00 C ATOM 207 SG CYS A 16 0.525 1.324 0.635 1.00 0.00 S ATOM 0 H CYS A 16 1.968 3.248 -0.958 1.00 0.00 H new ATOM 0 HA CYS A 16 2.616 2.905 1.891 1.00 0.00 H new ATOM 0 HB2 CYS A 16 2.576 1.114 -0.614 1.00 0.00 H new ATOM 0 HB3 CYS A 16 2.758 0.498 1.016 1.00 0.00 H new ATOM 212 N CYS A 17 5.039 1.929 1.789 1.00 0.00 N ATOM 213 CA CYS A 17 6.531 1.841 1.824 1.00 0.00 C ATOM 214 C CYS A 17 7.025 0.783 0.829 1.00 0.00 C ATOM 215 O CYS A 17 6.861 -0.405 1.040 1.00 0.00 O ATOM 216 CB CYS A 17 6.879 1.434 3.261 1.00 0.00 C ATOM 217 SG CYS A 17 7.095 2.914 4.284 1.00 0.00 S ATOM 0 H CYS A 17 4.559 1.433 2.540 1.00 0.00 H new ATOM 0 HA CYS A 17 7.003 2.783 1.545 1.00 0.00 H new ATOM 0 HB2 CYS A 17 6.087 0.808 3.673 1.00 0.00 H new ATOM 0 HB3 CYS A 17 7.792 0.839 3.269 1.00 0.00 H new ATOM 222 N LYS A 18 7.632 1.209 -0.252 1.00 0.00 N ATOM 223 CA LYS A 18 8.147 0.232 -1.268 1.00 0.00 C ATOM 224 C LYS A 18 9.344 -0.554 -0.707 1.00 0.00 C ATOM 225 O LYS A 18 9.631 -1.652 -1.149 1.00 0.00 O ATOM 226 CB LYS A 18 8.569 1.078 -2.480 1.00 0.00 C ATOM 227 CG LYS A 18 9.677 2.064 -2.084 1.00 0.00 C ATOM 228 CD LYS A 18 11.007 1.611 -2.691 1.00 0.00 C ATOM 229 CE LYS A 18 11.944 2.815 -2.824 1.00 0.00 C ATOM 230 NZ LYS A 18 13.208 2.264 -3.391 1.00 0.00 N ATOM 0 H LYS A 18 7.794 2.191 -0.477 1.00 0.00 H new ATOM 0 HA LYS A 18 7.390 -0.504 -1.538 1.00 0.00 H new ATOM 0 HB2 LYS A 18 8.921 0.428 -3.281 1.00 0.00 H new ATOM 0 HB3 LYS A 18 7.709 1.624 -2.868 1.00 0.00 H new ATOM 0 HG2 LYS A 18 9.428 3.066 -2.434 1.00 0.00 H new ATOM 0 HG3 LYS A 18 9.760 2.117 -0.998 1.00 0.00 H new ATOM 0 HD2 LYS A 18 11.465 0.848 -2.062 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.838 1.159 -3.668 1.00 0.00 H new ATOM 0 HE2 LYS A 18 11.518 3.576 -3.478 1.00 0.00 H new ATOM 0 HE3 LYS A 18 12.119 3.287 -1.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 13.899 3.032 -3.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 13.595 1.548 -2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 13.013 1.827 -4.315 1.00 0.00 H new ATOM 244 N SER A 19 10.038 -0.006 0.266 1.00 0.00 N ATOM 245 CA SER A 19 11.210 -0.725 0.859 1.00 0.00 C ATOM 246 C SER A 19 10.747 -1.993 1.592 1.00 0.00 C ATOM 247 O SER A 19 11.453 -2.982 1.635 1.00 0.00 O ATOM 248 CB SER A 19 11.831 0.266 1.845 1.00 0.00 C ATOM 249 OG SER A 19 13.144 -0.167 2.178 1.00 0.00 O ATOM 0 H SER A 19 9.842 0.908 0.674 1.00 0.00 H new ATOM 0 HA SER A 19 11.922 -1.043 0.097 1.00 0.00 H new ATOM 0 HB2 SER A 19 11.864 1.263 1.405 1.00 0.00 H new ATOM 0 HB3 SER A 19 11.219 0.335 2.744 1.00 0.00 H new ATOM 0 HG SER A 19 13.547 0.466 2.809 1.00 0.00 H new ATOM 255 N SER A 20 9.563 -1.971 2.161 1.00 0.00 N ATOM 256 CA SER A 20 9.050 -3.176 2.883 1.00 0.00 C ATOM 257 C SER A 20 8.025 -3.925 2.016 1.00 0.00 C ATOM 258 O SER A 20 7.161 -4.613 2.523 1.00 0.00 O ATOM 259 CB SER A 20 8.392 -2.629 4.152 1.00 0.00 C ATOM 260 OG SER A 20 8.249 -3.681 5.098 1.00 0.00 O ATOM 0 H SER A 20 8.932 -1.170 2.155 1.00 0.00 H new ATOM 0 HA SER A 20 9.843 -3.888 3.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 8.998 -1.826 4.572 1.00 0.00 H new ATOM 0 HB3 SER A 20 7.417 -2.202 3.915 1.00 0.00 H new ATOM 0 HG SER A 20 7.826 -4.453 4.667 1.00 0.00 H new ATOM 266 N ASN A 21 8.126 -3.798 0.709 1.00 0.00 N ATOM 267 CA ASN A 21 7.173 -4.498 -0.214 1.00 0.00 C ATOM 268 C ASN A 21 5.715 -4.203 0.171 1.00 0.00 C ATOM 269 O ASN A 21 4.996 -5.070 0.634 1.00 0.00 O ATOM 270 CB ASN A 21 7.488 -5.993 -0.065 1.00 0.00 C ATOM 271 CG ASN A 21 8.482 -6.418 -1.149 1.00 0.00 C ATOM 272 OD1 ASN A 21 9.672 -6.467 -0.912 1.00 0.00 O ATOM 273 ND2 ASN A 21 8.041 -6.727 -2.339 1.00 0.00 N ATOM 0 H ASN A 21 8.835 -3.234 0.241 1.00 0.00 H new ATOM 0 HA ASN A 21 7.289 -4.161 -1.244 1.00 0.00 H new ATOM 0 HB2 ASN A 21 7.905 -6.191 0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 21 6.572 -6.578 -0.147 1.00 0.00 H new ATOM 0 HD21 ASN A 21 8.696 -7.009 -3.068 1.00 0.00 H new ATOM 0 HD22 ASN A 21 7.042 -6.686 -2.539 1.00 0.00 H new ATOM 280 N LEU A 22 5.277 -2.983 -0.022 1.00 0.00 N ATOM 281 CA LEU A 22 3.867 -2.625 0.325 1.00 0.00 C ATOM 282 C LEU A 22 3.223 -1.833 -0.819 1.00 0.00 C ATOM 283 O LEU A 22 3.816 -0.920 -1.362 1.00 0.00 O ATOM 284 CB LEU A 22 3.964 -1.759 1.584 1.00 0.00 C ATOM 285 CG LEU A 22 4.354 -2.626 2.785 1.00 0.00 C ATOM 286 CD1 LEU A 22 4.710 -1.724 3.967 1.00 0.00 C ATOM 287 CD2 LEU A 22 3.179 -3.531 3.171 1.00 0.00 C ATOM 0 H LEU A 22 5.835 -2.220 -0.405 1.00 0.00 H new ATOM 0 HA LEU A 22 3.252 -3.510 0.489 1.00 0.00 H new ATOM 0 HB2 LEU A 22 4.703 -0.971 1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 22 3.009 -1.269 1.773 1.00 0.00 H new ATOM 0 HG LEU A 22 5.214 -3.243 2.522 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.988 -2.339 4.823 1.00 0.00 H new ATOM 0 HD12 LEU A 22 5.547 -1.081 3.695 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.849 -1.108 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.459 -4.147 4.026 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.318 -2.917 3.433 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.923 -4.174 2.329 1.00 0.00 H new ATOM 299 N VAL A 23 2.013 -2.179 -1.185 1.00 0.00 N ATOM 300 CA VAL A 23 1.318 -1.451 -2.295 1.00 0.00 C ATOM 301 C VAL A 23 -0.137 -1.157 -1.906 1.00 0.00 C ATOM 302 O VAL A 23 -0.776 -1.936 -1.224 1.00 0.00 O ATOM 303 CB VAL A 23 1.374 -2.387 -3.513 1.00 0.00 C ATOM 304 CG1 VAL A 23 2.816 -2.489 -4.017 1.00 0.00 C ATOM 305 CG2 VAL A 23 0.867 -3.785 -3.133 1.00 0.00 C ATOM 0 H VAL A 23 1.475 -2.936 -0.763 1.00 0.00 H new ATOM 0 HA VAL A 23 1.793 -0.493 -2.509 1.00 0.00 H new ATOM 0 HB VAL A 23 0.738 -1.980 -4.299 1.00 0.00 H new ATOM 0 HG11 VAL A 23 2.853 -3.153 -4.881 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.172 -1.500 -4.304 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.451 -2.887 -3.225 1.00 0.00 H new ATOM 0 HG21 VAL A 23 0.912 -4.438 -4.005 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.492 -4.195 -2.340 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -0.163 -3.716 -2.784 1.00 0.00 H new ATOM 315 N CYS A 24 -0.660 -0.036 -2.333 1.00 0.00 N ATOM 316 CA CYS A 24 -2.071 0.316 -1.988 1.00 0.00 C ATOM 317 C CYS A 24 -3.049 -0.607 -2.723 1.00 0.00 C ATOM 318 O CYS A 24 -2.870 -0.917 -3.886 1.00 0.00 O ATOM 319 CB CYS A 24 -2.252 1.763 -2.445 1.00 0.00 C ATOM 320 SG CYS A 24 -1.494 2.877 -1.237 1.00 0.00 S ATOM 0 H CYS A 24 -0.171 0.651 -2.906 1.00 0.00 H new ATOM 0 HA CYS A 24 -2.269 0.201 -0.922 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.795 1.906 -3.424 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.312 1.992 -2.551 1.00 0.00 H new ATOM 325 N SER A 25 -4.079 -1.048 -2.046 1.00 0.00 N ATOM 326 CA SER A 25 -5.078 -1.956 -2.690 1.00 0.00 C ATOM 327 C SER A 25 -6.391 -1.208 -2.942 1.00 0.00 C ATOM 328 O SER A 25 -6.744 -0.297 -2.217 1.00 0.00 O ATOM 329 CB SER A 25 -5.291 -3.084 -1.678 1.00 0.00 C ATOM 330 OG SER A 25 -4.146 -3.927 -1.663 1.00 0.00 O ATOM 0 H SER A 25 -4.272 -0.818 -1.071 1.00 0.00 H new ATOM 0 HA SER A 25 -4.736 -2.329 -3.655 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.464 -2.669 -0.685 1.00 0.00 H new ATOM 0 HB3 SER A 25 -6.178 -3.661 -1.941 1.00 0.00 H new ATOM 0 HG SER A 25 -4.339 -4.732 -1.139 1.00 0.00 H new ATOM 336 N ARG A 26 -7.119 -1.591 -3.961 1.00 0.00 N ATOM 337 CA ARG A 26 -8.418 -0.907 -4.258 1.00 0.00 C ATOM 338 C ARG A 26 -9.558 -1.556 -3.457 1.00 0.00 C ATOM 339 O ARG A 26 -10.495 -0.892 -3.054 1.00 0.00 O ATOM 340 CB ARG A 26 -8.636 -1.073 -5.770 1.00 0.00 C ATOM 341 CG ARG A 26 -8.966 -2.532 -6.109 1.00 0.00 C ATOM 342 CD ARG A 26 -8.999 -2.709 -7.630 1.00 0.00 C ATOM 343 NE ARG A 26 -9.633 -4.040 -7.851 1.00 0.00 N ATOM 344 CZ ARG A 26 -10.918 -4.126 -8.073 1.00 0.00 C ATOM 345 NH1 ARG A 26 -11.398 -3.850 -9.259 1.00 0.00 N ATOM 346 NH2 ARG A 26 -11.724 -4.490 -7.109 1.00 0.00 N ATOM 0 H ARG A 26 -6.872 -2.347 -4.600 1.00 0.00 H new ATOM 0 HA ARG A 26 -8.401 0.146 -3.976 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -9.448 -0.425 -6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -7.741 -0.762 -6.309 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -8.220 -3.196 -5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -9.929 -2.807 -5.679 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -9.573 -1.915 -8.107 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -7.995 -2.675 -8.053 1.00 0.00 H new ATOM 0 HE ARG A 26 -9.063 -4.885 -7.829 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -10.769 -3.568 -10.011 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -12.401 -3.917 -9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -11.349 -4.706 -6.185 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -12.727 -4.557 -7.281 1.00 0.00 H new ATOM 360 N LYS A 27 -9.481 -2.845 -3.218 1.00 0.00 N ATOM 361 CA LYS A 27 -10.555 -3.534 -2.437 1.00 0.00 C ATOM 362 C LYS A 27 -10.378 -3.257 -0.938 1.00 0.00 C ATOM 363 O LYS A 27 -11.340 -3.056 -0.221 1.00 0.00 O ATOM 364 CB LYS A 27 -10.379 -5.029 -2.735 1.00 0.00 C ATOM 365 CG LYS A 27 -11.663 -5.586 -3.356 1.00 0.00 C ATOM 366 CD LYS A 27 -11.931 -6.991 -2.810 1.00 0.00 C ATOM 367 CE LYS A 27 -13.386 -7.384 -3.088 1.00 0.00 C ATOM 368 NZ LYS A 27 -13.640 -8.575 -2.227 1.00 0.00 N ATOM 0 H LYS A 27 -8.720 -3.448 -3.531 1.00 0.00 H new ATOM 0 HA LYS A 27 -11.550 -3.184 -2.711 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -9.540 -5.178 -3.415 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -10.144 -5.568 -1.817 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -12.503 -4.930 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -11.569 -5.619 -4.441 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -11.255 -7.708 -3.276 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -11.735 -7.019 -1.738 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -14.068 -6.569 -2.844 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -13.536 -7.620 -4.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -14.618 -8.900 -2.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -12.982 -9.337 -2.486 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -13.497 -8.319 -1.229 1.00 0.00 H new ATOM 382 N HIS A 28 -9.154 -3.241 -0.463 1.00 0.00 N ATOM 383 CA HIS A 28 -8.911 -2.971 0.991 1.00 0.00 C ATOM 384 C HIS A 28 -8.628 -1.478 1.226 1.00 0.00 C ATOM 385 O HIS A 28 -8.774 -0.985 2.329 1.00 0.00 O ATOM 386 CB HIS A 28 -7.681 -3.806 1.363 1.00 0.00 C ATOM 387 CG HIS A 28 -7.941 -5.264 1.090 1.00 0.00 C ATOM 388 ND1 HIS A 28 -7.442 -5.904 -0.034 1.00 0.00 N ATOM 389 CD2 HIS A 28 -8.638 -6.220 1.787 1.00 0.00 C ATOM 390 CE1 HIS A 28 -7.842 -7.187 0.019 1.00 0.00 C ATOM 391 NE2 HIS A 28 -8.575 -7.433 1.109 1.00 0.00 N ATOM 0 H HIS A 28 -8.314 -3.403 -1.019 1.00 0.00 H new ATOM 0 HA HIS A 28 -9.780 -3.230 1.596 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -6.817 -3.470 0.790 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -7.440 -3.663 2.416 1.00 0.00 H new ATOM 0 HD2 HIS A 28 -9.156 -6.055 2.720 1.00 0.00 H new ATOM 0 HE1 HIS A 28 -7.600 -7.928 -0.728 1.00 0.00 H new ATOM 0 HE2 HIS A 28 -8.997 -8.320 1.385 1.00 0.00 H new ATOM 399 N ARG A 29 -8.221 -0.759 0.199 1.00 0.00 N ATOM 400 CA ARG A 29 -7.922 0.706 0.345 1.00 0.00 C ATOM 401 C ARG A 29 -6.809 0.942 1.380 1.00 0.00 C ATOM 402 O ARG A 29 -6.844 1.896 2.135 1.00 0.00 O ATOM 403 CB ARG A 29 -9.239 1.347 0.802 1.00 0.00 C ATOM 404 CG ARG A 29 -9.701 2.364 -0.245 1.00 0.00 C ATOM 405 CD ARG A 29 -10.838 1.764 -1.077 1.00 0.00 C ATOM 406 NE ARG A 29 -10.659 2.334 -2.444 1.00 0.00 N ATOM 407 CZ ARG A 29 -11.167 3.503 -2.739 1.00 0.00 C ATOM 408 NH1 ARG A 29 -12.446 3.614 -2.992 1.00 0.00 N ATOM 409 NH2 ARG A 29 -10.396 4.558 -2.782 1.00 0.00 N ATOM 0 H ARG A 29 -8.083 -1.130 -0.741 1.00 0.00 H new ATOM 0 HA ARG A 29 -7.565 1.138 -0.590 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -10.001 0.580 0.940 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -9.102 1.838 1.766 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -10.038 3.278 0.245 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -8.868 2.638 -0.893 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -10.783 0.675 -1.093 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -11.811 2.028 -0.664 1.00 0.00 H new ATOM 0 HE ARG A 29 -10.140 1.812 -3.150 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -13.046 2.790 -2.959 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -12.843 4.525 -3.222 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -9.399 4.469 -2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -10.791 5.470 -3.012 1.00 0.00 H new ATOM 423 N TRP A 30 -5.817 0.083 1.415 1.00 0.00 N ATOM 424 CA TRP A 30 -4.699 0.263 2.396 1.00 0.00 C ATOM 425 C TRP A 30 -3.389 -0.319 1.843 1.00 0.00 C ATOM 426 O TRP A 30 -3.300 -0.677 0.684 1.00 0.00 O ATOM 427 CB TRP A 30 -5.156 -0.473 3.672 1.00 0.00 C ATOM 428 CG TRP A 30 -5.087 -1.970 3.512 1.00 0.00 C ATOM 429 CD1 TRP A 30 -4.924 -2.641 2.344 1.00 0.00 C ATOM 430 CD2 TRP A 30 -5.184 -2.990 4.549 1.00 0.00 C ATOM 431 NE1 TRP A 30 -4.908 -3.998 2.603 1.00 0.00 N ATOM 432 CE2 TRP A 30 -5.067 -4.264 3.946 1.00 0.00 C ATOM 433 CE3 TRP A 30 -5.360 -2.932 5.944 1.00 0.00 C ATOM 434 CZ2 TRP A 30 -5.122 -5.439 4.697 1.00 0.00 C ATOM 435 CZ3 TRP A 30 -5.416 -4.113 6.703 1.00 0.00 C ATOM 436 CH2 TRP A 30 -5.297 -5.363 6.081 1.00 0.00 C ATOM 0 H TRP A 30 -5.733 -0.733 0.808 1.00 0.00 H new ATOM 0 HA TRP A 30 -4.494 1.314 2.598 1.00 0.00 H new ATOM 0 HB2 TRP A 30 -4.530 -0.168 4.511 1.00 0.00 H new ATOM 0 HB3 TRP A 30 -6.178 -0.180 3.914 1.00 0.00 H new ATOM 0 HD1 TRP A 30 -4.823 -2.187 1.369 1.00 0.00 H new ATOM 0 HE1 TRP A 30 -4.793 -4.716 1.887 1.00 0.00 H new ATOM 0 HE3 TRP A 30 -5.453 -1.974 6.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 30 -5.030 -6.400 4.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 30 -5.552 -4.057 7.773 1.00 0.00 H new ATOM 0 HH2 TRP A 30 -5.341 -6.267 6.671 1.00 0.00 H new ATOM 447 N CYS A 31 -2.375 -0.420 2.666 1.00 0.00 N ATOM 448 CA CYS A 31 -1.074 -0.985 2.191 1.00 0.00 C ATOM 449 C CYS A 31 -1.084 -2.511 2.332 1.00 0.00 C ATOM 450 O CYS A 31 -1.273 -3.044 3.409 1.00 0.00 O ATOM 451 CB CYS A 31 -0.003 -0.364 3.092 1.00 0.00 C ATOM 452 SG CYS A 31 0.246 1.371 2.635 1.00 0.00 S ATOM 0 H CYS A 31 -2.392 -0.136 3.646 1.00 0.00 H new ATOM 0 HA CYS A 31 -0.888 -0.761 1.141 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -0.306 -0.435 4.136 1.00 0.00 H new ATOM 0 HB3 CYS A 31 0.933 -0.914 2.994 1.00 0.00 H new ATOM 457 N LYS A 32 -0.886 -3.214 1.245 1.00 0.00 N ATOM 458 CA LYS A 32 -0.884 -4.708 1.295 1.00 0.00 C ATOM 459 C LYS A 32 0.506 -5.247 0.932 1.00 0.00 C ATOM 460 O LYS A 32 1.200 -4.688 0.103 1.00 0.00 O ATOM 461 CB LYS A 32 -1.921 -5.134 0.249 1.00 0.00 C ATOM 462 CG LYS A 32 -2.087 -6.657 0.267 1.00 0.00 C ATOM 463 CD LYS A 32 -3.469 -7.021 0.821 1.00 0.00 C ATOM 464 CE LYS A 32 -4.193 -7.949 -0.162 1.00 0.00 C ATOM 465 NZ LYS A 32 -3.698 -9.321 0.154 1.00 0.00 N ATOM 0 H LYS A 32 -0.725 -2.815 0.320 1.00 0.00 H new ATOM 0 HA LYS A 32 -1.122 -5.094 2.286 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -2.877 -4.653 0.456 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -1.607 -4.806 -0.742 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -1.972 -7.057 -0.741 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -1.308 -7.110 0.880 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -3.366 -7.511 1.789 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -4.056 -6.117 0.982 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.274 -7.883 -0.041 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -3.971 -7.679 -1.194 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -4.152 -10.009 -0.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -2.667 -9.357 0.023 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -3.930 -9.555 1.140 1.00 0.00 H new ATOM 479 N TYR A 33 0.914 -6.332 1.544 1.00 0.00 N ATOM 480 CA TYR A 33 2.258 -6.911 1.234 1.00 0.00 C ATOM 481 C TYR A 33 2.202 -7.713 -0.072 1.00 0.00 C ATOM 482 O TYR A 33 1.216 -8.363 -0.370 1.00 0.00 O ATOM 483 CB TYR A 33 2.588 -7.829 2.415 1.00 0.00 C ATOM 484 CG TYR A 33 4.088 -7.935 2.566 1.00 0.00 C ATOM 485 CD1 TYR A 33 4.802 -8.894 1.836 1.00 0.00 C ATOM 486 CD2 TYR A 33 4.766 -7.072 3.437 1.00 0.00 C ATOM 487 CE1 TYR A 33 6.191 -8.990 1.977 1.00 0.00 C ATOM 488 CE2 TYR A 33 6.154 -7.169 3.578 1.00 0.00 C ATOM 489 CZ TYR A 33 6.868 -8.128 2.848 1.00 0.00 C ATOM 490 OH TYR A 33 8.238 -8.222 2.987 1.00 0.00 O ATOM 0 H TYR A 33 0.375 -6.841 2.244 1.00 0.00 H new ATOM 0 HA TYR A 33 3.015 -6.138 1.101 1.00 0.00 H new ATOM 0 HB2 TYR A 33 2.146 -7.435 3.330 1.00 0.00 H new ATOM 0 HB3 TYR A 33 2.157 -8.817 2.253 1.00 0.00 H new ATOM 0 HD1 TYR A 33 4.280 -9.559 1.164 1.00 0.00 H new ATOM 0 HD2 TYR A 33 4.217 -6.332 4.000 1.00 0.00 H new ATOM 0 HE1 TYR A 33 6.741 -9.729 1.414 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.676 -6.504 4.250 1.00 0.00 H new ATOM 0 HH TYR A 33 8.549 -7.550 3.629 1.00 0.00 H new ATOM 500 N GLU A 34 3.254 -7.671 -0.851 1.00 0.00 N ATOM 501 CA GLU A 34 3.269 -8.429 -2.141 1.00 0.00 C ATOM 502 C GLU A 34 3.630 -9.898 -1.893 1.00 0.00 C ATOM 503 O GLU A 34 4.672 -10.206 -1.344 1.00 0.00 O ATOM 504 CB GLU A 34 4.342 -7.750 -2.995 1.00 0.00 C ATOM 505 CG GLU A 34 3.765 -6.485 -3.635 1.00 0.00 C ATOM 506 CD GLU A 34 4.860 -5.423 -3.747 1.00 0.00 C ATOM 507 OE1 GLU A 34 5.056 -4.698 -2.785 1.00 0.00 O ATOM 508 OE2 GLU A 34 5.486 -5.352 -4.792 1.00 0.00 O ATOM 0 H GLU A 34 4.104 -7.144 -0.650 1.00 0.00 H new ATOM 0 HA GLU A 34 2.295 -8.421 -2.631 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.205 -7.497 -2.379 1.00 0.00 H new ATOM 0 HB3 GLU A 34 4.692 -8.434 -3.768 1.00 0.00 H new ATOM 0 HG2 GLU A 34 3.365 -6.715 -4.622 1.00 0.00 H new ATOM 0 HG3 GLU A 34 2.937 -6.107 -3.035 1.00 0.00 H new ATOM 515 N ILE A 35 2.775 -10.803 -2.297 1.00 0.00 N ATOM 516 CA ILE A 35 3.061 -12.260 -2.092 1.00 0.00 C ATOM 517 C ILE A 35 3.840 -12.837 -3.289 1.00 0.00 C ATOM 518 O ILE A 35 3.576 -12.250 -4.328 1.00 0.00 O ATOM 519 CB ILE A 35 1.682 -12.926 -1.955 1.00 0.00 C ATOM 520 CG1 ILE A 35 1.855 -14.356 -1.432 1.00 0.00 C ATOM 521 CG2 ILE A 35 0.974 -12.964 -3.315 1.00 0.00 C ATOM 522 CD1 ILE A 35 0.755 -14.665 -0.412 1.00 0.00 C ATOM 0 H ILE A 35 1.890 -10.598 -2.761 1.00 0.00 H new ATOM 0 HA ILE A 35 3.681 -12.435 -1.213 1.00 0.00 H new ATOM 0 HB ILE A 35 1.078 -12.348 -1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 35 1.808 -15.065 -2.259 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.836 -14.469 -0.970 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -0.001 -13.438 -3.204 1.00 0.00 H new ATOM 0 HG22 ILE A 35 0.843 -11.947 -3.686 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.576 -13.534 -4.023 1.00 0.00 H new ATOM 0 HD11 ILE A 35 0.879 -15.682 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 35 0.823 -13.964 0.420 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -0.221 -14.569 -0.889 1.00 0.00 H new HETATM 534 N NH2 A 36 5.098 -12.927 -2.928 1.00 0.00 N TER 537 NH2 A 36