USER MOD reduce.3.24.130724 H: found=0, std=0, add=309, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 308 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 GLY N :NH3+ -126:sc= -0.669 (180deg=-3.32!) USER MOD Single : A 5 ASN : amide:sc= -0.147 K(o=-0.15,f=-1) USER MOD Single : A 7 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot -170:sc= -0.0522 USER MOD Single : A 13 GLN : amide:sc= 0.0522 K(o=0.052,f=-3.5!) USER MOD Single : A 19 LYS NZ :NH3+ -169:sc=-0.00956 (180deg=-0.167) USER MOD Single : A 20 LYS NZ :NH3+ 143:sc= -2.08 (180deg=-3.1!) USER MOD Single : A 23 MET CE :methyl 166:sc= -0.0546 (180deg=-0.243) USER MOD Single : A 27 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00914) USER MOD Single : A 29 MET CE :methyl -176:sc= 0 (180deg=-0.0322) USER MOD Single : A 30 ASN : amide:sc= -0.157 X(o=-0.16,f=-0.013) USER MOD Single : A 32 LYS NZ :NH3+ -175:sc= -0.389 (180deg=-0.444) USER MOD Single : A 34 HIS :FLIP no HD1:sc= -0.0064 F(o=-0.57,f=-0.0064) USER MOD Single : A 36 THR OG1 : rot 11:sc= 0.0664 USER MOD Single : A 38 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00474) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 5.649 -8.742 4.622 1.00 0.00 N ATOM 2 CA GLY A 1 6.211 -8.354 3.320 1.00 0.00 C ATOM 3 C GLY A 1 5.183 -8.581 2.239 1.00 0.00 C ATOM 4 O GLY A 1 5.256 -9.603 1.575 1.00 0.00 O ATOM 0 H1 GLY A 1 5.740 -7.949 5.289 1.00 0.00 H new ATOM 0 H2 GLY A 1 4.644 -8.985 4.508 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.165 -9.566 4.991 1.00 0.00 H new ATOM 0 HA2 GLY A 1 6.509 -7.306 3.339 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.108 -8.937 3.111 1.00 0.00 H new ATOM 10 N VAL A 2 4.223 -7.641 2.062 1.00 0.00 N ATOM 11 CA VAL A 2 3.207 -7.775 1.020 1.00 0.00 C ATOM 12 C VAL A 2 3.494 -6.670 0.030 1.00 0.00 C ATOM 13 O VAL A 2 2.950 -5.585 0.167 1.00 0.00 O ATOM 14 CB VAL A 2 1.786 -7.716 1.651 1.00 0.00 C ATOM 15 CG1 VAL A 2 0.690 -7.794 0.551 1.00 0.00 C ATOM 16 CG2 VAL A 2 1.625 -8.891 2.659 1.00 0.00 C ATOM 0 H VAL A 2 4.141 -6.795 2.626 1.00 0.00 H new ATOM 0 HA VAL A 2 3.238 -8.734 0.504 1.00 0.00 H new ATOM 0 HB VAL A 2 1.668 -6.767 2.175 1.00 0.00 H new ATOM 0 HG11 VAL A 2 -0.295 -7.751 1.015 1.00 0.00 H new ATOM 0 HG12 VAL A 2 0.804 -6.956 -0.136 1.00 0.00 H new ATOM 0 HG13 VAL A 2 0.792 -8.730 0.002 1.00 0.00 H new ATOM 0 HG21 VAL A 2 0.631 -8.855 3.104 1.00 0.00 H new ATOM 0 HG22 VAL A 2 1.754 -9.839 2.137 1.00 0.00 H new ATOM 0 HG23 VAL A 2 2.377 -8.803 3.443 1.00 0.00 H new ATOM 26 N ILE A 3 4.368 -6.949 -0.967 1.00 0.00 N ATOM 27 CA ILE A 3 4.675 -5.968 -1.999 1.00 0.00 C ATOM 28 C ILE A 3 3.736 -6.277 -3.139 1.00 0.00 C ATOM 29 O ILE A 3 3.449 -7.449 -3.324 1.00 0.00 O ATOM 30 CB ILE A 3 6.155 -6.092 -2.477 1.00 0.00 C ATOM 31 CG1 ILE A 3 7.168 -5.786 -1.330 1.00 0.00 C ATOM 32 CG2 ILE A 3 6.417 -5.141 -3.683 1.00 0.00 C ATOM 33 CD1 ILE A 3 7.235 -6.831 -0.183 1.00 0.00 C ATOM 0 H ILE A 3 4.860 -7.837 -1.066 1.00 0.00 H new ATOM 0 HA ILE A 3 4.552 -4.952 -1.624 1.00 0.00 H new ATOM 0 HB ILE A 3 6.308 -7.125 -2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 3 8.162 -5.691 -1.766 1.00 0.00 H new ATOM 0 HG13 ILE A 3 6.915 -4.818 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 3 7.454 -5.239 -4.005 1.00 0.00 H new ATOM 0 HG22 ILE A 3 5.754 -5.407 -4.507 1.00 0.00 H new ATOM 0 HG23 ILE A 3 6.226 -4.111 -3.382 1.00 0.00 H new ATOM 0 HD11 ILE A 3 7.971 -6.514 0.556 1.00 0.00 H new ATOM 0 HD12 ILE A 3 6.257 -6.913 0.292 1.00 0.00 H new ATOM 0 HD13 ILE A 3 7.524 -7.800 -0.590 1.00 0.00 H new ATOM 45 N ILE A 4 3.267 -5.270 -3.913 1.00 0.00 N ATOM 46 CA ILE A 4 2.467 -5.555 -5.103 1.00 0.00 C ATOM 47 C ILE A 4 2.985 -4.679 -6.220 1.00 0.00 C ATOM 48 O ILE A 4 3.330 -3.541 -5.935 1.00 0.00 O ATOM 49 CB ILE A 4 0.938 -5.385 -4.857 1.00 0.00 C ATOM 50 CG1 ILE A 4 0.582 -3.915 -4.480 1.00 0.00 C ATOM 51 CG2 ILE A 4 0.470 -6.387 -3.765 1.00 0.00 C ATOM 52 CD1 ILE A 4 -0.938 -3.668 -4.284 1.00 0.00 C ATOM 0 H ILE A 4 3.429 -4.279 -3.732 1.00 0.00 H new ATOM 0 HA ILE A 4 2.575 -6.604 -5.379 1.00 0.00 H new ATOM 0 HB ILE A 4 0.406 -5.608 -5.782 1.00 0.00 H new ATOM 0 HG12 ILE A 4 1.105 -3.649 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 4 0.951 -3.250 -5.261 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -0.600 -6.266 -3.595 1.00 0.00 H new ATOM 0 HG22 ILE A 4 0.672 -7.406 -4.095 1.00 0.00 H new ATOM 0 HG23 ILE A 4 1.009 -6.193 -2.838 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -1.106 -2.623 -4.024 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -1.467 -3.901 -5.208 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.310 -4.306 -3.482 1.00 0.00 H new ATOM 64 N ASN A 5 3.069 -5.189 -7.473 1.00 0.00 N ATOM 65 CA ASN A 5 3.673 -4.415 -8.556 1.00 0.00 C ATOM 66 C ASN A 5 2.564 -3.791 -9.364 1.00 0.00 C ATOM 67 O ASN A 5 2.277 -4.286 -10.443 1.00 0.00 O ATOM 68 CB ASN A 5 4.606 -5.336 -9.391 1.00 0.00 C ATOM 69 CG ASN A 5 5.700 -5.863 -8.489 1.00 0.00 C ATOM 70 OD1 ASN A 5 5.405 -6.704 -7.654 1.00 0.00 O ATOM 71 ND2 ASN A 5 6.964 -5.395 -8.609 1.00 0.00 N ATOM 0 H ASN A 5 2.731 -6.113 -7.743 1.00 0.00 H new ATOM 0 HA ASN A 5 4.299 -3.607 -8.177 1.00 0.00 H new ATOM 0 HB2 ASN A 5 4.038 -6.162 -9.818 1.00 0.00 H new ATOM 0 HB3 ASN A 5 5.038 -4.781 -10.224 1.00 0.00 H new ATOM 0 HD21 ASN A 5 7.698 -5.745 -7.993 1.00 0.00 H new ATOM 0 HD22 ASN A 5 7.183 -4.692 -9.315 1.00 0.00 H new ATOM 78 N VAL A 6 1.936 -2.706 -8.846 1.00 0.00 N ATOM 79 CA VAL A 6 0.820 -2.068 -9.549 1.00 0.00 C ATOM 80 C VAL A 6 1.129 -0.603 -9.776 1.00 0.00 C ATOM 81 O VAL A 6 1.717 -0.002 -8.891 1.00 0.00 O ATOM 82 CB VAL A 6 -0.480 -2.224 -8.707 1.00 0.00 C ATOM 83 CG1 VAL A 6 -1.697 -1.561 -9.411 1.00 0.00 C ATOM 84 CG2 VAL A 6 -0.765 -3.727 -8.436 1.00 0.00 C ATOM 0 H VAL A 6 2.185 -2.269 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 6 0.675 -2.548 -10.517 1.00 0.00 H new ATOM 0 HB VAL A 6 -0.328 -1.713 -7.756 1.00 0.00 H new ATOM 0 HG11 VAL A 6 -2.587 -1.689 -8.796 1.00 0.00 H new ATOM 0 HG12 VAL A 6 -1.502 -0.498 -9.550 1.00 0.00 H new ATOM 0 HG13 VAL A 6 -1.856 -2.031 -10.382 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -1.677 -3.824 -7.846 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.889 -4.251 -9.384 1.00 0.00 H new ATOM 0 HG23 VAL A 6 0.070 -4.163 -7.887 1.00 0.00 H new ATOM 94 N LYS A 7 0.744 -0.009 -10.935 1.00 0.00 N ATOM 95 CA LYS A 7 0.995 1.415 -11.163 1.00 0.00 C ATOM 96 C LYS A 7 0.283 2.226 -10.092 1.00 0.00 C ATOM 97 O LYS A 7 -0.866 2.575 -10.308 1.00 0.00 O ATOM 98 CB LYS A 7 0.550 1.880 -12.587 1.00 0.00 C ATOM 99 CG LYS A 7 -0.896 1.453 -13.004 1.00 0.00 C ATOM 100 CD LYS A 7 -1.624 2.580 -13.790 1.00 0.00 C ATOM 101 CE LYS A 7 -3.090 2.230 -14.170 1.00 0.00 C ATOM 102 NZ LYS A 7 -3.164 1.164 -15.191 1.00 0.00 N ATOM 0 H LYS A 7 0.271 -0.490 -11.701 1.00 0.00 H new ATOM 0 HA LYS A 7 2.071 1.580 -11.104 1.00 0.00 H new ATOM 0 HB2 LYS A 7 0.619 2.967 -12.635 1.00 0.00 H new ATOM 0 HB3 LYS A 7 1.254 1.483 -13.318 1.00 0.00 H new ATOM 0 HG2 LYS A 7 -0.847 0.554 -13.618 1.00 0.00 H new ATOM 0 HG3 LYS A 7 -1.472 1.200 -12.114 1.00 0.00 H new ATOM 0 HD2 LYS A 7 -1.621 3.490 -13.190 1.00 0.00 H new ATOM 0 HD3 LYS A 7 -1.064 2.796 -14.700 1.00 0.00 H new ATOM 0 HE2 LYS A 7 -3.629 1.913 -13.277 1.00 0.00 H new ATOM 0 HE3 LYS A 7 -3.590 3.124 -14.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 7 -4.160 0.964 -15.413 1.00 0.00 H new ATOM 0 HZ2 LYS A 7 -2.673 1.475 -16.053 1.00 0.00 H new ATOM 0 HZ3 LYS A 7 -2.711 0.302 -14.826 1.00 0.00 H new ATOM 116 N CYS A 8 0.911 2.563 -8.941 1.00 0.00 N ATOM 117 CA CYS A 8 0.190 3.347 -7.934 1.00 0.00 C ATOM 118 C CYS A 8 0.233 4.788 -8.340 1.00 0.00 C ATOM 119 O CYS A 8 1.122 5.138 -9.103 1.00 0.00 O ATOM 120 CB CYS A 8 0.755 3.273 -6.492 1.00 0.00 C ATOM 121 SG CYS A 8 2.230 4.309 -6.181 1.00 0.00 S ATOM 0 H CYS A 8 1.871 2.314 -8.701 1.00 0.00 H new ATOM 0 HA CYS A 8 -0.811 2.918 -7.902 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.030 3.568 -5.796 1.00 0.00 H new ATOM 0 HB3 CYS A 8 1.006 2.236 -6.270 1.00 0.00 H new ATOM 126 N LYS A 9 -0.690 5.623 -7.805 1.00 0.00 N ATOM 127 CA LYS A 9 -0.624 7.059 -8.044 1.00 0.00 C ATOM 128 C LYS A 9 -0.571 7.753 -6.708 1.00 0.00 C ATOM 129 O LYS A 9 0.344 8.544 -6.500 1.00 0.00 O ATOM 130 CB LYS A 9 -1.823 7.441 -8.957 1.00 0.00 C ATOM 131 CG LYS A 9 -1.712 8.837 -9.642 1.00 0.00 C ATOM 132 CD LYS A 9 -1.896 10.013 -8.648 1.00 0.00 C ATOM 133 CE LYS A 9 -1.959 11.399 -9.345 1.00 0.00 C ATOM 134 NZ LYS A 9 -0.716 11.736 -10.065 1.00 0.00 N ATOM 0 H LYS A 9 -1.468 5.322 -7.219 1.00 0.00 H new ATOM 0 HA LYS A 9 0.272 7.379 -8.576 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.927 6.681 -9.731 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -2.736 7.417 -8.361 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.738 8.924 -10.123 1.00 0.00 H new ATOM 0 HG3 LYS A 9 -2.463 8.911 -10.428 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.812 9.858 -8.078 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -1.072 10.009 -7.935 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -2.794 11.410 -10.046 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -2.160 12.167 -8.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.815 12.671 -10.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 0.079 11.754 -9.395 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 -0.535 11.021 -10.798 1.00 0.00 H new ATOM 148 N ILE A 10 -1.538 7.473 -5.785 1.00 0.00 N ATOM 149 CA ILE A 10 -1.535 8.082 -4.450 1.00 0.00 C ATOM 150 C ILE A 10 -1.355 7.034 -3.338 1.00 0.00 C ATOM 151 O ILE A 10 -2.012 5.997 -3.269 1.00 0.00 O ATOM 152 CB ILE A 10 -2.757 9.040 -4.212 1.00 0.00 C ATOM 153 CG1 ILE A 10 -4.078 8.437 -4.774 1.00 0.00 C ATOM 154 CG2 ILE A 10 -2.494 10.483 -4.776 1.00 0.00 C ATOM 155 CD1 ILE A 10 -5.382 9.074 -4.211 1.00 0.00 C ATOM 0 H ILE A 10 -2.315 6.834 -5.953 1.00 0.00 H new ATOM 0 HA ILE A 10 -0.657 8.726 -4.403 1.00 0.00 H new ATOM 0 HB ILE A 10 -2.877 9.138 -3.133 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -4.077 8.546 -5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -4.092 7.368 -4.561 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -3.365 11.111 -4.589 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -1.623 10.914 -4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.311 10.426 -5.849 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -6.248 8.589 -4.661 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -5.414 8.942 -3.129 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -5.399 10.138 -4.448 1.00 0.00 H new ATOM 167 N SER A 11 -0.423 7.315 -2.402 1.00 0.00 N ATOM 168 CA SER A 11 -0.163 6.389 -1.301 1.00 0.00 C ATOM 169 C SER A 11 -1.444 6.143 -0.548 1.00 0.00 C ATOM 170 O SER A 11 -1.594 5.049 -0.026 1.00 0.00 O ATOM 171 CB SER A 11 0.918 6.933 -0.325 1.00 0.00 C ATOM 172 OG SER A 11 1.247 5.961 0.677 1.00 0.00 O ATOM 0 H SER A 11 0.147 8.161 -2.393 1.00 0.00 H new ATOM 0 HA SER A 11 0.215 5.459 -1.726 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.815 7.201 -0.884 1.00 0.00 H new ATOM 0 HB3 SER A 11 0.556 7.843 0.153 1.00 0.00 H new ATOM 0 HG SER A 11 1.806 6.378 1.366 1.00 0.00 H new ATOM 178 N ARG A 12 -2.388 7.106 -0.481 1.00 0.00 N ATOM 179 CA ARG A 12 -3.649 6.842 0.217 1.00 0.00 C ATOM 180 C ARG A 12 -4.422 5.768 -0.536 1.00 0.00 C ATOM 181 O ARG A 12 -4.984 4.901 0.112 1.00 0.00 O ATOM 182 CB ARG A 12 -4.457 8.167 0.399 1.00 0.00 C ATOM 183 CG ARG A 12 -5.282 8.270 1.718 1.00 0.00 C ATOM 184 CD ARG A 12 -6.413 7.218 1.823 1.00 0.00 C ATOM 185 NE ARG A 12 -7.251 7.257 0.624 1.00 0.00 N ATOM 186 CZ ARG A 12 -8.215 8.125 0.423 1.00 0.00 C ATOM 187 NH1 ARG A 12 -8.564 9.081 1.251 1.00 0.00 N ATOM 188 NH2 ARG A 12 -8.854 7.989 -0.710 1.00 0.00 N ATOM 0 H ARG A 12 -2.301 8.038 -0.887 1.00 0.00 H new ATOM 0 HA ARG A 12 -3.456 6.463 1.221 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -3.762 9.005 0.359 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.138 8.277 -0.445 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.609 8.155 2.568 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.716 9.267 1.788 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -5.984 6.223 1.944 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -7.020 7.413 2.707 1.00 0.00 H new ATOM 0 HE ARG A 12 -7.074 6.564 -0.103 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -8.070 9.194 2.136 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.329 9.711 1.009 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -8.589 7.249 -1.359 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -9.618 8.623 -0.944 1.00 0.00 H new ATOM 202 N GLN A 13 -4.478 5.743 -1.890 1.00 0.00 N ATOM 203 CA GLN A 13 -5.277 4.705 -2.557 1.00 0.00 C ATOM 204 C GLN A 13 -4.683 3.322 -2.405 1.00 0.00 C ATOM 205 O GLN A 13 -5.460 2.391 -2.558 1.00 0.00 O ATOM 206 CB GLN A 13 -5.638 4.921 -4.056 1.00 0.00 C ATOM 207 CG GLN A 13 -4.506 4.474 -5.027 1.00 0.00 C ATOM 208 CD GLN A 13 -4.784 4.918 -6.441 1.00 0.00 C ATOM 209 OE1 GLN A 13 -4.092 5.802 -6.923 1.00 0.00 O ATOM 210 NE2 GLN A 13 -5.782 4.326 -7.128 1.00 0.00 N ATOM 0 H GLN A 13 -4.002 6.398 -2.510 1.00 0.00 H new ATOM 0 HA GLN A 13 -6.216 4.797 -2.012 1.00 0.00 H new ATOM 0 HB2 GLN A 13 -6.547 4.367 -4.288 1.00 0.00 H new ATOM 0 HB3 GLN A 13 -5.856 5.976 -4.223 1.00 0.00 H new ATOM 0 HG2 GLN A 13 -3.555 4.889 -4.694 1.00 0.00 H new ATOM 0 HG3 GLN A 13 -4.408 3.389 -4.998 1.00 0.00 H new ATOM 0 HE21 GLN A 13 -6.337 3.591 -6.689 1.00 0.00 H new ATOM 0 HE22 GLN A 13 -5.982 4.613 -8.086 1.00 0.00 H new ATOM 219 N CYS A 14 -3.365 3.141 -2.132 1.00 0.00 N ATOM 220 CA CYS A 14 -2.909 1.801 -1.697 1.00 0.00 C ATOM 221 C CYS A 14 -3.086 1.573 -0.201 1.00 0.00 C ATOM 222 O CYS A 14 -3.057 0.431 0.237 1.00 0.00 O ATOM 223 CB CYS A 14 -1.429 1.486 -2.016 1.00 0.00 C ATOM 224 SG CYS A 14 -1.096 1.310 -3.789 1.00 0.00 S ATOM 0 H CYS A 14 -2.642 3.857 -2.200 1.00 0.00 H new ATOM 0 HA CYS A 14 -3.550 1.137 -2.277 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.801 2.281 -1.613 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.143 0.565 -1.507 1.00 0.00 H new ATOM 229 N LEU A 15 -3.256 2.631 0.625 1.00 0.00 N ATOM 230 CA LEU A 15 -3.510 2.445 2.048 1.00 0.00 C ATOM 231 C LEU A 15 -4.861 1.771 2.184 1.00 0.00 C ATOM 232 O LEU A 15 -4.942 0.886 3.019 1.00 0.00 O ATOM 233 CB LEU A 15 -3.389 3.801 2.800 1.00 0.00 C ATOM 234 CG LEU A 15 -3.904 3.813 4.261 1.00 0.00 C ATOM 235 CD1 LEU A 15 -3.205 2.755 5.159 1.00 0.00 C ATOM 236 CD2 LEU A 15 -3.720 5.229 4.877 1.00 0.00 C ATOM 0 H LEU A 15 -3.220 3.605 0.324 1.00 0.00 H new ATOM 0 HA LEU A 15 -2.767 1.800 2.517 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.341 4.101 2.802 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -3.936 4.557 2.236 1.00 0.00 H new ATOM 0 HG LEU A 15 -4.962 3.552 4.225 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -3.608 2.812 6.170 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -3.383 1.759 4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.133 2.950 5.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -4.085 5.229 5.904 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.663 5.496 4.867 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.283 5.956 4.292 1.00 0.00 H new ATOM 248 N GLU A 16 -5.931 2.104 1.419 1.00 0.00 N ATOM 249 CA GLU A 16 -7.190 1.357 1.594 1.00 0.00 C ATOM 250 C GLU A 16 -7.003 -0.155 1.492 1.00 0.00 C ATOM 251 O GLU A 16 -7.223 -0.804 2.501 1.00 0.00 O ATOM 252 CB GLU A 16 -8.400 1.790 0.709 1.00 0.00 C ATOM 253 CG GLU A 16 -9.100 3.091 1.197 1.00 0.00 C ATOM 254 CD GLU A 16 -8.137 4.241 1.325 1.00 0.00 C ATOM 255 OE1 GLU A 16 -7.532 4.619 0.289 1.00 0.00 O ATOM 256 OE2 GLU A 16 -7.983 4.772 2.460 1.00 0.00 O ATOM 0 H GLU A 16 -5.948 2.842 0.715 1.00 0.00 H new ATOM 0 HA GLU A 16 -7.462 1.636 2.612 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -8.056 1.936 -0.315 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -9.131 0.981 0.688 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -9.893 3.359 0.498 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -9.574 2.907 2.161 1.00 0.00 H new ATOM 263 N PRO A 17 -6.623 -0.821 0.374 1.00 0.00 N ATOM 264 CA PRO A 17 -6.590 -2.281 0.376 1.00 0.00 C ATOM 265 C PRO A 17 -5.605 -2.814 1.388 1.00 0.00 C ATOM 266 O PRO A 17 -5.852 -3.887 1.919 1.00 0.00 O ATOM 267 CB PRO A 17 -6.209 -2.572 -1.099 1.00 0.00 C ATOM 268 CG PRO A 17 -5.466 -1.294 -1.555 1.00 0.00 C ATOM 269 CD PRO A 17 -6.249 -0.154 -0.859 1.00 0.00 C ATOM 0 HA PRO A 17 -7.518 -2.768 0.675 1.00 0.00 H new ATOM 0 HB2 PRO A 17 -5.573 -3.453 -1.180 1.00 0.00 H new ATOM 0 HB3 PRO A 17 -7.092 -2.759 -1.710 1.00 0.00 H new ATOM 0 HG2 PRO A 17 -4.420 -1.307 -1.249 1.00 0.00 H new ATOM 0 HG3 PRO A 17 -5.480 -1.187 -2.640 1.00 0.00 H new ATOM 0 HD2 PRO A 17 -5.633 0.729 -0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 17 -7.115 0.170 -1.437 1.00 0.00 H new ATOM 277 N CYS A 18 -4.502 -2.095 1.697 1.00 0.00 N ATOM 278 CA CYS A 18 -3.595 -2.594 2.730 1.00 0.00 C ATOM 279 C CYS A 18 -4.297 -2.653 4.074 1.00 0.00 C ATOM 280 O CYS A 18 -4.045 -3.596 4.811 1.00 0.00 O ATOM 281 CB CYS A 18 -2.275 -1.771 2.748 1.00 0.00 C ATOM 282 SG CYS A 18 -1.402 -2.119 1.180 1.00 0.00 S ATOM 0 H CYS A 18 -4.235 -1.211 1.265 1.00 0.00 H new ATOM 0 HA CYS A 18 -3.306 -3.618 2.495 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -2.487 -0.706 2.843 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -1.658 -2.051 3.602 1.00 0.00 H new ATOM 287 N LYS A 19 -5.181 -1.702 4.456 1.00 0.00 N ATOM 288 CA LYS A 19 -5.850 -1.787 5.759 1.00 0.00 C ATOM 289 C LYS A 19 -6.933 -2.840 5.699 1.00 0.00 C ATOM 290 O LYS A 19 -7.087 -3.571 6.665 1.00 0.00 O ATOM 291 CB LYS A 19 -6.339 -0.406 6.304 1.00 0.00 C ATOM 292 CG LYS A 19 -7.742 0.081 5.833 1.00 0.00 C ATOM 293 CD LYS A 19 -8.920 -0.506 6.664 1.00 0.00 C ATOM 294 CE LYS A 19 -10.294 -0.013 6.137 1.00 0.00 C ATOM 295 NZ LYS A 19 -10.404 1.457 6.225 1.00 0.00 N ATOM 0 H LYS A 19 -5.437 -0.891 3.893 1.00 0.00 H new ATOM 0 HA LYS A 19 -5.116 -2.101 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -6.344 -0.454 7.393 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -5.605 0.349 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -7.777 1.169 5.889 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -7.878 -0.189 4.786 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -8.885 -1.595 6.627 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -8.807 -0.219 7.709 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -10.424 -0.329 5.102 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -11.095 -0.475 6.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -11.388 1.743 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -10.121 1.770 7.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -9.781 1.895 5.516 1.00 0.00 H new ATOM 309 N LYS A 20 -7.698 -2.941 4.583 1.00 0.00 N ATOM 310 CA LYS A 20 -8.782 -3.922 4.525 1.00 0.00 C ATOM 311 C LYS A 20 -8.209 -5.299 4.767 1.00 0.00 C ATOM 312 O LYS A 20 -8.766 -6.046 5.557 1.00 0.00 O ATOM 313 CB LYS A 20 -9.556 -3.906 3.173 1.00 0.00 C ATOM 314 CG LYS A 20 -10.386 -2.603 2.990 1.00 0.00 C ATOM 315 CD LYS A 20 -11.344 -2.617 1.762 1.00 0.00 C ATOM 316 CE LYS A 20 -10.622 -2.609 0.387 1.00 0.00 C ATOM 317 NZ LYS A 20 -9.925 -3.882 0.115 1.00 0.00 N ATOM 0 H LYS A 20 -7.582 -2.372 3.745 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.503 -3.655 5.298 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.849 -4.003 2.349 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -10.221 -4.769 3.126 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -10.974 -2.431 3.892 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.701 -1.761 2.891 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.978 -3.502 1.821 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -12.001 -1.749 1.819 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -11.350 -2.419 -0.402 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -9.903 -1.790 0.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.006 -4.113 -0.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.921 -3.789 0.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.357 -4.642 0.679 1.00 0.00 H new ATOM 331 N ALA A 21 -7.086 -5.649 4.101 1.00 0.00 N ATOM 332 CA ALA A 21 -6.478 -6.955 4.340 1.00 0.00 C ATOM 333 C ALA A 21 -6.050 -7.061 5.789 1.00 0.00 C ATOM 334 O ALA A 21 -6.423 -8.030 6.431 1.00 0.00 O ATOM 335 CB ALA A 21 -5.274 -7.190 3.394 1.00 0.00 C ATOM 0 H ALA A 21 -6.604 -5.062 3.420 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.217 -7.728 4.130 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -4.840 -8.170 3.594 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -5.611 -7.147 2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -4.522 -6.419 3.563 1.00 0.00 H new ATOM 341 N GLY A 22 -5.283 -6.075 6.317 1.00 0.00 N ATOM 342 CA GLY A 22 -4.887 -6.087 7.730 1.00 0.00 C ATOM 343 C GLY A 22 -3.408 -5.810 7.896 1.00 0.00 C ATOM 344 O GLY A 22 -2.687 -6.663 8.394 1.00 0.00 O ATOM 0 H GLY A 22 -4.935 -5.276 5.787 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -5.462 -5.339 8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -5.128 -7.056 8.168 1.00 0.00 H new ATOM 348 N MET A 23 -2.949 -4.610 7.470 1.00 0.00 N ATOM 349 CA MET A 23 -1.531 -4.260 7.520 1.00 0.00 C ATOM 350 C MET A 23 -1.301 -3.210 8.575 1.00 0.00 C ATOM 351 O MET A 23 -2.201 -2.418 8.806 1.00 0.00 O ATOM 352 CB MET A 23 -1.049 -3.686 6.160 1.00 0.00 C ATOM 353 CG MET A 23 -0.865 -4.770 5.063 1.00 0.00 C ATOM 354 SD MET A 23 -2.158 -6.046 5.047 1.00 0.00 S ATOM 355 CE MET A 23 -1.752 -6.796 3.441 1.00 0.00 C ATOM 0 H MET A 23 -3.548 -3.877 7.090 1.00 0.00 H new ATOM 0 HA MET A 23 -0.974 -5.168 7.750 1.00 0.00 H new ATOM 0 HB2 MET A 23 -1.769 -2.945 5.811 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.103 -3.166 6.309 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.840 -4.283 4.088 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.103 -5.252 5.204 1.00 0.00 H new ATOM 0 HE1 MET A 23 -2.264 -7.754 3.347 1.00 0.00 H new ATOM 0 HE2 MET A 23 -2.073 -6.133 2.638 1.00 0.00 H new ATOM 0 HE3 MET A 23 -0.675 -6.952 3.374 1.00 0.00 H new ATOM 365 N ARG A 24 -0.101 -3.187 9.200 1.00 0.00 N ATOM 366 CA ARG A 24 0.209 -2.132 10.153 1.00 0.00 C ATOM 367 C ARG A 24 0.752 -0.941 9.393 1.00 0.00 C ATOM 368 O ARG A 24 0.573 0.153 9.908 1.00 0.00 O ATOM 369 CB ARG A 24 1.183 -2.646 11.247 1.00 0.00 C ATOM 370 CG ARG A 24 1.382 -1.626 12.405 1.00 0.00 C ATOM 371 CD ARG A 24 2.249 -2.200 13.562 1.00 0.00 C ATOM 372 NE ARG A 24 1.930 -1.544 14.836 1.00 0.00 N ATOM 373 CZ ARG A 24 2.368 -0.360 15.194 1.00 0.00 C ATOM 374 NH1 ARG A 24 3.138 0.408 14.465 1.00 0.00 N ATOM 375 NH2 ARG A 24 1.983 0.046 16.375 1.00 0.00 N ATOM 0 H ARG A 24 0.640 -3.873 9.058 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.692 -1.818 10.680 1.00 0.00 H new ATOM 0 HB2 ARG A 24 0.802 -3.582 11.655 1.00 0.00 H new ATOM 0 HB3 ARG A 24 2.149 -2.866 10.793 1.00 0.00 H new ATOM 0 HG2 ARG A 24 1.854 -0.725 12.014 1.00 0.00 H new ATOM 0 HG3 ARG A 24 0.408 -1.331 12.797 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.080 -3.273 13.650 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.305 -2.061 13.332 1.00 0.00 H new ATOM 0 HE ARG A 24 1.326 -2.043 15.488 1.00 0.00 H new ATOM 0 HH11 ARG A 24 3.442 0.097 13.542 1.00 0.00 H new ATOM 0 HH12 ARG A 24 3.434 1.317 14.820 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.383 -0.548 16.948 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.283 0.956 16.724 1.00 0.00 H new ATOM 389 N PHE A 25 1.387 -1.098 8.195 1.00 0.00 N ATOM 390 CA PHE A 25 1.823 0.080 7.433 1.00 0.00 C ATOM 391 C PHE A 25 1.332 0.031 6.002 1.00 0.00 C ATOM 392 O PHE A 25 1.154 -1.062 5.488 1.00 0.00 O ATOM 393 CB PHE A 25 3.363 0.229 7.403 1.00 0.00 C ATOM 394 CG PHE A 25 3.894 0.618 8.791 1.00 0.00 C ATOM 395 CD1 PHE A 25 4.071 -0.361 9.773 1.00 0.00 C ATOM 396 CD2 PHE A 25 4.209 1.948 9.085 1.00 0.00 C ATOM 397 CE1 PHE A 25 4.670 -0.035 10.994 1.00 0.00 C ATOM 398 CE2 PHE A 25 4.757 2.287 10.329 1.00 0.00 C ATOM 399 CZ PHE A 25 5.000 1.293 11.278 1.00 0.00 C ATOM 0 H PHE A 25 1.596 -1.997 7.761 1.00 0.00 H new ATOM 0 HA PHE A 25 1.389 0.936 7.950 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.819 -0.708 7.083 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.647 0.987 6.673 1.00 0.00 H new ATOM 0 HD1 PHE A 25 3.744 -1.373 9.588 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.029 2.718 8.349 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.878 -0.810 11.717 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.991 3.317 10.553 1.00 0.00 H new ATOM 0 HZ PHE A 25 5.442 1.549 12.229 1.00 0.00 H new ATOM 409 N GLY A 26 1.132 1.213 5.362 1.00 0.00 N ATOM 410 CA GLY A 26 0.600 1.277 4.002 1.00 0.00 C ATOM 411 C GLY A 26 1.273 2.405 3.253 1.00 0.00 C ATOM 412 O GLY A 26 0.820 3.525 3.430 1.00 0.00 O ATOM 0 H GLY A 26 1.334 2.123 5.776 1.00 0.00 H new ATOM 0 HA2 GLY A 26 0.771 0.331 3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -0.478 1.435 4.028 1.00 0.00 H new ATOM 416 N LYS A 27 2.342 2.153 2.452 1.00 0.00 N ATOM 417 CA LYS A 27 3.058 3.251 1.787 1.00 0.00 C ATOM 418 C LYS A 27 3.199 2.945 0.312 1.00 0.00 C ATOM 419 O LYS A 27 3.238 1.762 0.014 1.00 0.00 O ATOM 420 CB LYS A 27 4.461 3.372 2.445 1.00 0.00 C ATOM 421 CG LYS A 27 5.379 4.493 1.873 1.00 0.00 C ATOM 422 CD LYS A 27 4.903 5.928 2.234 1.00 0.00 C ATOM 423 CE LYS A 27 5.793 7.031 1.595 1.00 0.00 C ATOM 424 NZ LYS A 27 7.213 6.947 1.993 1.00 0.00 N ATOM 0 H LYS A 27 2.712 1.222 2.260 1.00 0.00 H new ATOM 0 HA LYS A 27 2.511 4.188 1.894 1.00 0.00 H new ATOM 0 HB2 LYS A 27 4.328 3.546 3.513 1.00 0.00 H new ATOM 0 HB3 LYS A 27 4.976 2.417 2.339 1.00 0.00 H new ATOM 0 HG2 LYS A 27 6.392 4.349 2.249 1.00 0.00 H new ATOM 0 HG3 LYS A 27 5.425 4.396 0.788 1.00 0.00 H new ATOM 0 HD2 LYS A 27 3.873 6.060 1.902 1.00 0.00 H new ATOM 0 HD3 LYS A 27 4.906 6.046 3.318 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.723 6.959 0.510 1.00 0.00 H new ATOM 0 HE3 LYS A 27 5.403 8.009 1.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.742 7.730 1.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 7.288 7.010 3.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 7.610 6.041 1.672 1.00 0.00 H new ATOM 438 N CYS A 28 3.296 3.947 -0.608 1.00 0.00 N ATOM 439 CA CYS A 28 3.673 3.666 -1.999 1.00 0.00 C ATOM 440 C CYS A 28 4.997 4.338 -2.279 1.00 0.00 C ATOM 441 O CYS A 28 5.246 5.383 -1.702 1.00 0.00 O ATOM 442 CB CYS A 28 2.676 4.116 -3.110 1.00 0.00 C ATOM 443 SG CYS A 28 3.197 3.332 -4.688 1.00 0.00 S ATOM 0 H CYS A 28 3.120 4.931 -0.405 1.00 0.00 H new ATOM 0 HA CYS A 28 3.696 2.578 -2.057 1.00 0.00 H new ATOM 0 HB2 CYS A 28 1.659 3.818 -2.854 1.00 0.00 H new ATOM 0 HB3 CYS A 28 2.676 5.202 -3.205 1.00 0.00 H new ATOM 448 N MET A 29 5.827 3.753 -3.176 1.00 0.00 N ATOM 449 CA MET A 29 7.001 4.438 -3.695 1.00 0.00 C ATOM 450 C MET A 29 6.660 4.681 -5.147 1.00 0.00 C ATOM 451 O MET A 29 6.275 3.708 -5.773 1.00 0.00 O ATOM 452 CB MET A 29 8.242 3.522 -3.567 1.00 0.00 C ATOM 453 CG MET A 29 8.476 3.057 -2.105 1.00 0.00 C ATOM 454 SD MET A 29 8.638 4.451 -0.937 1.00 0.00 S ATOM 455 CE MET A 29 10.202 5.217 -1.467 1.00 0.00 C ATOM 0 H MET A 29 5.693 2.811 -3.545 1.00 0.00 H new ATOM 0 HA MET A 29 7.237 5.359 -3.162 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.116 2.650 -4.209 1.00 0.00 H new ATOM 0 HB3 MET A 29 9.124 4.055 -3.923 1.00 0.00 H new ATOM 0 HG2 MET A 29 7.647 2.422 -1.793 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.378 2.447 -2.063 1.00 0.00 H new ATOM 0 HE1 MET A 29 10.453 6.035 -0.792 1.00 0.00 H new ATOM 0 HE2 MET A 29 10.997 4.472 -1.446 1.00 0.00 H new ATOM 0 HE3 MET A 29 10.093 5.603 -2.480 1.00 0.00 H new ATOM 465 N ASN A 30 6.764 5.928 -5.667 1.00 0.00 N ATOM 466 CA ASN A 30 6.222 6.244 -6.988 1.00 0.00 C ATOM 467 C ASN A 30 6.509 5.133 -7.974 1.00 0.00 C ATOM 468 O ASN A 30 7.588 5.116 -8.546 1.00 0.00 O ATOM 469 CB ASN A 30 6.769 7.605 -7.500 1.00 0.00 C ATOM 470 CG ASN A 30 6.153 7.953 -8.835 1.00 0.00 C ATOM 471 OD1 ASN A 30 5.184 8.696 -8.863 1.00 0.00 O ATOM 472 ND2 ASN A 30 6.686 7.429 -9.962 1.00 0.00 N ATOM 0 H ASN A 30 7.212 6.712 -5.192 1.00 0.00 H new ATOM 0 HA ASN A 30 5.140 6.332 -6.895 1.00 0.00 H new ATOM 0 HB2 ASN A 30 6.548 8.389 -6.775 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.854 7.555 -7.595 1.00 0.00 H new ATOM 0 HD21 ASN A 30 6.278 7.651 -10.870 1.00 0.00 H new ATOM 0 HD22 ASN A 30 7.496 6.812 -9.904 1.00 0.00 H new ATOM 479 N GLY A 31 5.554 4.191 -8.167 1.00 0.00 N ATOM 480 CA GLY A 31 5.788 3.054 -9.046 1.00 0.00 C ATOM 481 C GLY A 31 5.011 1.863 -8.533 1.00 0.00 C ATOM 482 O GLY A 31 4.034 1.491 -9.167 1.00 0.00 O ATOM 0 H GLY A 31 4.634 4.207 -7.727 1.00 0.00 H new ATOM 0 HA2 GLY A 31 5.478 3.295 -10.063 1.00 0.00 H new ATOM 0 HA3 GLY A 31 6.852 2.821 -9.084 1.00 0.00 H new ATOM 486 N LYS A 32 5.417 1.282 -7.377 1.00 0.00 N ATOM 487 CA LYS A 32 4.787 0.059 -6.871 1.00 0.00 C ATOM 488 C LYS A 32 4.410 0.243 -5.422 1.00 0.00 C ATOM 489 O LYS A 32 4.988 1.135 -4.824 1.00 0.00 O ATOM 490 CB LYS A 32 5.781 -1.126 -7.006 1.00 0.00 C ATOM 491 CG LYS A 32 6.188 -1.391 -8.489 1.00 0.00 C ATOM 492 CD LYS A 32 7.477 -0.642 -8.938 1.00 0.00 C ATOM 493 CE LYS A 32 8.788 -1.416 -8.619 1.00 0.00 C ATOM 494 NZ LYS A 32 8.921 -1.757 -7.187 1.00 0.00 N ATOM 0 H LYS A 32 6.170 1.643 -6.791 1.00 0.00 H new ATOM 0 HA LYS A 32 3.888 -0.153 -7.450 1.00 0.00 H new ATOM 0 HB2 LYS A 32 6.675 -0.917 -6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 32 5.329 -2.026 -6.589 1.00 0.00 H new ATOM 0 HG2 LYS A 32 6.336 -2.462 -8.628 1.00 0.00 H new ATOM 0 HG3 LYS A 32 5.364 -1.096 -9.139 1.00 0.00 H new ATOM 0 HD2 LYS A 32 7.425 -0.458 -10.011 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.511 0.331 -8.449 1.00 0.00 H new ATOM 0 HE2 LYS A 32 8.816 -2.332 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 32 9.643 -0.813 -8.925 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 9.849 -2.195 -7.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 8.838 -0.892 -6.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 8.170 -2.424 -6.918 1.00 0.00 H new ATOM 508 N CYS A 33 3.469 -0.563 -4.858 1.00 0.00 N ATOM 509 CA CYS A 33 3.039 -0.355 -3.472 1.00 0.00 C ATOM 510 C CYS A 33 3.728 -1.307 -2.518 1.00 0.00 C ATOM 511 O CYS A 33 3.960 -2.449 -2.881 1.00 0.00 O ATOM 512 CB CYS A 33 1.492 -0.316 -3.301 1.00 0.00 C ATOM 513 SG CYS A 33 0.933 1.339 -3.837 1.00 0.00 S ATOM 0 H CYS A 33 3.012 -1.339 -5.337 1.00 0.00 H new ATOM 0 HA CYS A 33 3.368 0.647 -3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 33 1.019 -1.095 -3.899 1.00 0.00 H new ATOM 0 HB3 CYS A 33 1.215 -0.499 -2.263 1.00 0.00 H new ATOM 518 N HIS A 34 4.068 -0.813 -1.298 1.00 0.00 N ATOM 519 CA HIS A 34 4.849 -1.570 -0.323 1.00 0.00 C ATOM 520 C HIS A 34 4.110 -1.496 0.994 1.00 0.00 C ATOM 521 O HIS A 34 4.178 -0.457 1.640 1.00 0.00 O ATOM 522 CB HIS A 34 6.255 -0.907 -0.220 1.00 0.00 C ATOM 523 CG HIS A 34 6.970 -1.186 -1.518 1.00 0.00 C ATOM 524 ND1 HIS A 34 6.847 -0.486 -2.661 1.00 0.00 N flip ATOM 525 CD2 HIS A 34 7.801 -2.187 -1.691 1.00 0.00 C flip ATOM 526 CE1 HIS A 34 7.697 -1.245 -3.540 1.00 0.00 C flip ATOM 527 NE2 HIS A 34 8.207 -2.210 -2.919 1.00 0.00 N flip ATOM 0 H HIS A 34 3.803 0.118 -0.978 1.00 0.00 H new ATOM 0 HA HIS A 34 4.976 -2.615 -0.607 1.00 0.00 H new ATOM 0 HB2 HIS A 34 6.164 0.166 -0.053 1.00 0.00 H new ATOM 0 HB3 HIS A 34 6.813 -1.315 0.623 1.00 0.00 H new ATOM 0 HD2 HIS A 34 8.101 -2.886 -0.924 1.00 0.00 H new ATOM 0 HE1 HIS A 34 7.871 -1.018 -4.581 1.00 0.00 H new ATOM 0 HE2 HIS A 34 8.841 -2.902 -3.319 1.00 0.00 H new ATOM 535 N CYS A 35 3.398 -2.577 1.402 1.00 0.00 N ATOM 536 CA CYS A 35 2.743 -2.588 2.712 1.00 0.00 C ATOM 537 C CYS A 35 3.357 -3.655 3.587 1.00 0.00 C ATOM 538 O CYS A 35 3.989 -4.544 3.034 1.00 0.00 O ATOM 539 CB CYS A 35 1.219 -2.810 2.536 1.00 0.00 C ATOM 540 SG CYS A 35 0.504 -1.488 1.502 1.00 0.00 S ATOM 0 H CYS A 35 3.271 -3.426 0.851 1.00 0.00 H new ATOM 0 HA CYS A 35 2.891 -1.626 3.202 1.00 0.00 H new ATOM 0 HB2 CYS A 35 1.037 -3.781 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 35 0.731 -2.823 3.511 1.00 0.00 H new ATOM 545 N THR A 36 3.191 -3.574 4.935 1.00 0.00 N ATOM 546 CA THR A 36 3.780 -4.574 5.833 1.00 0.00 C ATOM 547 C THR A 36 2.692 -5.112 6.740 1.00 0.00 C ATOM 548 O THR A 36 1.925 -4.283 7.212 1.00 0.00 O ATOM 549 CB THR A 36 4.965 -4.004 6.657 1.00 0.00 C ATOM 550 OG1 THR A 36 4.461 -3.088 7.640 1.00 0.00 O ATOM 551 CG2 THR A 36 5.986 -3.299 5.726 1.00 0.00 C ATOM 0 H THR A 36 2.663 -2.838 5.405 1.00 0.00 H new ATOM 0 HA THR A 36 4.194 -5.382 5.230 1.00 0.00 H new ATOM 0 HB THR A 36 5.480 -4.822 7.160 1.00 0.00 H new ATOM 0 HG1 THR A 36 3.484 -3.156 7.680 1.00 0.00 H new ATOM 0 HG21 THR A 36 6.810 -2.906 6.321 1.00 0.00 H new ATOM 0 HG22 THR A 36 6.372 -4.015 5.001 1.00 0.00 H new ATOM 0 HG23 THR A 36 5.494 -2.480 5.201 1.00 0.00 H new ATOM 559 N PRO A 37 2.577 -6.448 6.993 1.00 0.00 N ATOM 560 CA PRO A 37 1.396 -6.980 7.658 1.00 0.00 C ATOM 561 C PRO A 37 1.351 -6.607 9.117 1.00 0.00 C ATOM 562 O PRO A 37 2.359 -6.145 9.627 1.00 0.00 O ATOM 563 CB PRO A 37 1.619 -8.505 7.490 1.00 0.00 C ATOM 564 CG PRO A 37 3.157 -8.631 7.448 1.00 0.00 C ATOM 565 CD PRO A 37 3.578 -7.423 6.579 1.00 0.00 C ATOM 0 HA PRO A 37 0.458 -6.604 7.249 1.00 0.00 H new ATOM 0 HB2 PRO A 37 1.191 -9.069 8.319 1.00 0.00 H new ATOM 0 HB3 PRO A 37 1.159 -8.882 6.577 1.00 0.00 H new ATOM 0 HG2 PRO A 37 3.594 -8.583 8.445 1.00 0.00 H new ATOM 0 HG3 PRO A 37 3.473 -9.576 7.007 1.00 0.00 H new ATOM 0 HD2 PRO A 37 4.594 -7.092 6.791 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.530 -7.641 5.512 1.00 0.00 H new ATOM 573 N LYS A 38 0.194 -6.821 9.791 1.00 0.00 N ATOM 574 CA LYS A 38 0.128 -6.650 11.243 1.00 0.00 C ATOM 575 C LYS A 38 0.206 -8.018 11.862 1.00 0.00 C ATOM 576 O LYS A 38 0.201 -9.026 11.174 1.00 0.00 O ATOM 577 CB LYS A 38 -1.166 -5.890 11.654 1.00 0.00 C ATOM 578 CG LYS A 38 -1.201 -5.461 13.154 1.00 0.00 C ATOM 579 CD LYS A 38 -1.671 -6.586 14.119 1.00 0.00 C ATOM 580 CE LYS A 38 -1.482 -6.203 15.614 1.00 0.00 C ATOM 581 NZ LYS A 38 -2.172 -4.952 15.990 1.00 0.00 N ATOM 582 OXT LYS A 38 0.281 -8.132 13.185 1.00 0.00 O ATOM 0 H LYS A 38 -0.682 -7.106 9.354 1.00 0.00 H new ATOM 0 HA LYS A 38 0.959 -6.041 11.601 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -1.267 -5.002 11.030 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -2.028 -6.524 11.448 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -0.205 -5.133 13.451 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -1.864 -4.603 13.261 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.723 -6.804 13.933 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -1.114 -7.499 13.907 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -1.852 -7.016 16.239 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -0.417 -6.099 15.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -2.035 -4.771 17.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.779 -4.161 15.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -3.188 -5.042 15.789 1.00 0.00 H new TER 596 LYS A 38