USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 550 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 60:sc= 0.00386 USER MOD Set 1.2: A 67 MET CE :methyl -162:sc= -0.841 (180deg=-1.41) USER MOD Single : A 1 LEU N :NH3+ -118:sc= -0.0123 (180deg=-1.04) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 CYS SG : rot 180:sc= 0.0611 USER MOD Single : A 13 HIS :FLIP no HE2:sc= -0.177 F(o=-1,f=-0.18) USER MOD Single : A 14 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 HIS : no HD1:sc= -1.05 X(o=-1,f=-0.75) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 36 TYR OH : rot 120:sc= 0 USER MOD Single : A 42 ASN : amide:sc= -0.0478 X(o=-0.048,f=-0.034) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0.0131 X(o=0.013,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0235) USER MOD Single : A 62 CYS SG : rot 115:sc= 0.53 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 68 ASN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.571 5.595 4.748 1.00 0.00 N ATOM 2 CA LEU A 1 10.345 6.206 4.233 1.00 0.00 C ATOM 3 C LEU A 1 9.607 5.247 3.343 1.00 0.00 C ATOM 4 O LEU A 1 10.134 4.805 2.324 1.00 0.00 O ATOM 5 CB LEU A 1 10.657 7.491 3.419 1.00 0.00 C ATOM 6 CG LEU A 1 11.182 8.694 4.241 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.735 9.797 3.319 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.120 9.258 5.205 1.00 0.00 C ATOM 0 H1 LEU A 1 11.521 5.537 5.785 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.675 4.639 4.353 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.390 6.174 4.473 1.00 0.00 H new ATOM 0 HA LEU A 1 9.729 6.463 5.094 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.396 7.246 2.656 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.750 7.798 2.898 1.00 0.00 H new ATOM 0 HG LEU A 1 12.000 8.321 4.857 1.00 0.00 H new ATOM 0 HD11 LEU A 1 12.097 10.629 3.923 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.556 9.397 2.725 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.944 10.147 2.656 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.540 10.099 5.757 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.253 9.594 4.636 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.815 8.481 5.906 1.00 0.00 H new ATOM 22 N CYS A 2 8.314 4.969 3.700 1.00 0.00 N ATOM 23 CA CYS A 2 7.295 4.161 3.054 1.00 0.00 C ATOM 24 C CYS A 2 7.056 4.892 1.779 1.00 0.00 C ATOM 25 O CYS A 2 6.898 6.108 1.802 1.00 0.00 O ATOM 26 CB CYS A 2 5.998 4.005 3.911 1.00 0.00 C ATOM 27 SG CYS A 2 4.676 3.040 3.097 1.00 0.00 S ATOM 0 H CYS A 2 7.942 5.371 4.561 1.00 0.00 H new ATOM 0 HA CYS A 2 7.610 3.128 2.905 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.255 3.524 4.855 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.614 4.996 4.152 1.00 0.00 H new ATOM 32 N LEU A 3 7.053 4.171 0.641 1.00 0.00 N ATOM 33 CA LEU A 3 6.965 4.809 -0.643 1.00 0.00 C ATOM 34 C LEU A 3 5.592 4.673 -1.225 1.00 0.00 C ATOM 35 O LEU A 3 5.368 4.815 -2.427 1.00 0.00 O ATOM 36 CB LEU A 3 7.988 4.188 -1.597 1.00 0.00 C ATOM 37 CG LEU A 3 9.447 4.533 -1.221 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.462 3.619 -1.926 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.780 6.019 -1.461 1.00 0.00 C ATOM 0 H LEU A 3 7.111 3.153 0.607 1.00 0.00 H new ATOM 0 HA LEU A 3 7.176 5.870 -0.510 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.865 3.105 -1.599 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.788 4.533 -2.611 1.00 0.00 H new ATOM 0 HG LEU A 3 9.531 4.351 -0.150 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.472 3.901 -1.630 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.276 2.583 -1.643 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.358 3.724 -3.006 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.816 6.209 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.639 6.258 -2.515 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.121 6.642 -0.856 1.00 0.00 H new ATOM 51 N VAL A 4 4.644 4.405 -0.321 1.00 0.00 N ATOM 52 CA VAL A 4 3.256 4.189 -0.597 1.00 0.00 C ATOM 53 C VAL A 4 2.458 5.218 0.116 1.00 0.00 C ATOM 54 O VAL A 4 1.846 6.067 -0.524 1.00 0.00 O ATOM 55 CB VAL A 4 2.786 2.768 -0.197 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.347 2.470 -0.644 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.816 1.718 -0.636 1.00 0.00 C ATOM 0 H VAL A 4 4.857 4.333 0.674 1.00 0.00 H new ATOM 0 HA VAL A 4 3.107 4.274 -1.673 1.00 0.00 H new ATOM 0 HB VAL A 4 2.737 2.717 0.891 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.072 1.461 -0.337 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.667 3.187 -0.184 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.279 2.550 -1.729 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.470 0.726 -0.347 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.938 1.759 -1.718 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.772 1.923 -0.155 1.00 0.00 H new ATOM 67 N CYS A 5 2.413 5.125 1.464 1.00 0.00 N ATOM 68 CA CYS A 5 1.617 6.010 2.280 1.00 0.00 C ATOM 69 C CYS A 5 2.522 6.998 2.951 1.00 0.00 C ATOM 70 O CYS A 5 2.140 7.605 3.948 1.00 0.00 O ATOM 71 CB CYS A 5 0.656 5.297 3.282 1.00 0.00 C ATOM 72 SG CYS A 5 1.384 4.315 4.658 1.00 0.00 S ATOM 0 H CYS A 5 2.934 4.428 1.997 1.00 0.00 H new ATOM 0 HA CYS A 5 0.931 6.532 1.613 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.014 6.059 3.724 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.012 4.632 2.706 1.00 0.00 H new ATOM 77 N SER A 6 3.735 7.189 2.368 1.00 0.00 N ATOM 78 CA SER A 6 4.690 8.264 2.653 1.00 0.00 C ATOM 79 C SER A 6 4.887 8.619 4.110 1.00 0.00 C ATOM 80 O SER A 6 4.778 9.771 4.530 1.00 0.00 O ATOM 81 CB SER A 6 4.407 9.502 1.777 1.00 0.00 C ATOM 82 OG SER A 6 3.863 9.151 0.510 1.00 0.00 O ATOM 0 H SER A 6 4.081 6.555 1.648 1.00 0.00 H new ATOM 0 HA SER A 6 5.658 7.847 2.377 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.714 10.163 2.298 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.331 10.061 1.631 1.00 0.00 H new ATOM 0 HG SER A 6 3.697 9.964 -0.011 1.00 0.00 H new ATOM 88 N ASP A 7 5.161 7.559 4.892 1.00 0.00 N ATOM 89 CA ASP A 7 5.261 7.564 6.334 1.00 0.00 C ATOM 90 C ASP A 7 6.642 7.041 6.592 1.00 0.00 C ATOM 91 O ASP A 7 7.217 6.431 5.706 1.00 0.00 O ATOM 92 CB ASP A 7 4.165 6.588 6.864 1.00 0.00 C ATOM 93 CG ASP A 7 4.005 6.486 8.391 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.821 5.771 9.032 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.048 7.105 8.929 1.00 0.00 O ATOM 0 H ASP A 7 5.325 6.633 4.497 1.00 0.00 H new ATOM 0 HA ASP A 7 5.113 8.531 6.814 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.207 6.892 6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.382 5.592 6.478 1.00 0.00 H new ATOM 100 N GLU A 8 7.208 7.218 7.815 1.00 0.00 N ATOM 101 CA GLU A 8 8.516 6.714 8.213 1.00 0.00 C ATOM 102 C GLU A 8 8.508 5.194 8.220 1.00 0.00 C ATOM 103 O GLU A 8 7.882 4.580 9.084 1.00 0.00 O ATOM 104 CB GLU A 8 9.085 7.296 9.544 1.00 0.00 C ATOM 105 CG GLU A 8 8.403 8.575 10.097 1.00 0.00 C ATOM 106 CD GLU A 8 7.066 8.304 10.802 1.00 0.00 C ATOM 107 OE1 GLU A 8 7.067 7.566 11.822 1.00 0.00 O ATOM 108 OE2 GLU A 8 6.029 8.840 10.327 1.00 0.00 O ATOM 0 H GLU A 8 6.740 7.733 8.561 1.00 0.00 H new ATOM 0 HA GLU A 8 9.212 7.077 7.457 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.023 6.521 10.308 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.143 7.513 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 8 9.081 9.064 10.797 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.236 9.272 9.275 1.00 0.00 H new ATOM 115 N ALA A 9 9.195 4.567 7.224 1.00 0.00 N ATOM 116 CA ALA A 9 9.229 3.129 7.036 1.00 0.00 C ATOM 117 C ALA A 9 10.255 2.498 7.923 1.00 0.00 C ATOM 118 O ALA A 9 11.297 3.077 8.225 1.00 0.00 O ATOM 119 CB ALA A 9 9.569 2.695 5.595 1.00 0.00 C ATOM 0 H ALA A 9 9.742 5.075 6.530 1.00 0.00 H new ATOM 0 HA ALA A 9 8.219 2.799 7.278 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.575 1.607 5.535 1.00 0.00 H new ATOM 0 HB2 ALA A 9 8.821 3.092 4.909 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.552 3.079 5.322 1.00 0.00 H new ATOM 125 N SER A 10 9.936 1.251 8.337 1.00 0.00 N ATOM 126 CA SER A 10 10.774 0.427 9.160 1.00 0.00 C ATOM 127 C SER A 10 10.267 -0.976 8.946 1.00 0.00 C ATOM 128 O SER A 10 10.053 -1.733 9.893 1.00 0.00 O ATOM 129 CB SER A 10 10.792 0.835 10.660 1.00 0.00 C ATOM 130 OG SER A 10 9.480 1.014 11.187 1.00 0.00 O ATOM 0 H SER A 10 9.056 0.800 8.086 1.00 0.00 H new ATOM 0 HA SER A 10 11.820 0.535 8.873 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.311 0.069 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.357 1.760 10.776 1.00 0.00 H new ATOM 0 HG SER A 10 9.539 1.268 12.132 1.00 0.00 H new ATOM 136 N GLY A 11 10.067 -1.351 7.659 1.00 0.00 N ATOM 137 CA GLY A 11 9.583 -2.663 7.322 1.00 0.00 C ATOM 138 C GLY A 11 9.570 -2.809 5.838 1.00 0.00 C ATOM 139 O GLY A 11 8.508 -2.961 5.235 1.00 0.00 O ATOM 0 H GLY A 11 10.240 -0.746 6.856 1.00 0.00 H new ATOM 0 HA2 GLY A 11 10.220 -3.426 7.770 1.00 0.00 H new ATOM 0 HA3 GLY A 11 8.580 -2.809 7.724 1.00 0.00 H new ATOM 143 N CYS A 12 10.777 -2.803 5.205 1.00 0.00 N ATOM 144 CA CYS A 12 10.975 -2.987 3.773 1.00 0.00 C ATOM 145 C CYS A 12 10.801 -4.462 3.512 1.00 0.00 C ATOM 146 O CYS A 12 11.384 -5.279 4.224 1.00 0.00 O ATOM 147 CB CYS A 12 12.359 -2.490 3.261 1.00 0.00 C ATOM 148 SG CYS A 12 13.813 -3.024 4.246 1.00 0.00 S ATOM 0 H CYS A 12 11.653 -2.664 5.709 1.00 0.00 H new ATOM 0 HA CYS A 12 10.251 -2.382 3.227 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.492 -2.836 2.236 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.344 -1.401 3.231 1.00 0.00 H new ATOM 0 HG CYS A 12 14.898 -2.546 3.713 1.00 0.00 H new ATOM 154 N HIS A 13 9.947 -4.845 2.529 1.00 0.00 N ATOM 155 CA HIS A 13 9.672 -6.249 2.349 1.00 0.00 C ATOM 156 C HIS A 13 8.991 -6.348 1.038 1.00 0.00 C ATOM 157 O HIS A 13 8.295 -5.421 0.623 1.00 0.00 O ATOM 158 CB HIS A 13 8.765 -6.861 3.454 1.00 0.00 C ATOM 159 CG HIS A 13 9.258 -8.194 3.950 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.787 -9.440 3.681 1.00 0.00 N flip ATOM 161 CD2 HIS A 13 10.355 -8.265 4.793 1.00 0.00 C flip ATOM 162 CE1 HIS A 13 9.600 -10.311 4.368 1.00 0.00 C flip ATOM 163 NE2 HIS A 13 10.521 -9.554 5.016 1.00 0.00 N flip ATOM 0 H HIS A 13 9.467 -4.215 1.886 1.00 0.00 H new ATOM 0 HA HIS A 13 10.605 -6.811 2.404 1.00 0.00 H new ATOM 0 HB2 HIS A 13 8.705 -6.167 4.293 1.00 0.00 H new ATOM 0 HB3 HIS A 13 7.754 -6.976 3.063 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.992 -9.681 3.089 1.00 0.00 H new ATOM 0 HD2 HIS A 13 10.943 -7.447 5.181 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.521 -11.388 4.388 1.00 0.00 H new ATOM 171 N TYR A 14 9.188 -7.504 0.352 1.00 0.00 N ATOM 172 CA TYR A 14 8.640 -7.821 -0.944 1.00 0.00 C ATOM 173 C TYR A 14 9.587 -7.166 -1.912 1.00 0.00 C ATOM 174 O TYR A 14 10.760 -7.541 -1.944 1.00 0.00 O ATOM 175 CB TYR A 14 7.092 -7.631 -1.094 1.00 0.00 C ATOM 176 CG TYR A 14 6.373 -8.429 -0.002 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.686 -9.783 0.259 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.377 -7.845 0.792 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.138 -10.474 1.344 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.817 -8.531 1.875 1.00 0.00 C ATOM 181 CZ TYR A 14 5.218 -9.833 2.177 1.00 0.00 C ATOM 182 OH TYR A 14 4.681 -10.494 3.304 1.00 0.00 O ATOM 0 H TYR A 14 9.763 -8.259 0.726 1.00 0.00 H new ATOM 0 HA TYR A 14 8.610 -8.888 -1.163 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.835 -6.575 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.767 -7.967 -2.079 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.369 -10.299 -0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.035 -6.846 0.564 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.424 -11.497 1.537 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.067 -8.048 2.483 1.00 0.00 H new ATOM 0 HH TYR A 14 4.058 -9.896 3.768 1.00 0.00 H new ATOM 192 N GLY A 15 9.136 -6.156 -2.678 1.00 0.00 N ATOM 193 CA GLY A 15 9.974 -5.477 -3.642 1.00 0.00 C ATOM 194 C GLY A 15 10.409 -4.084 -3.266 1.00 0.00 C ATOM 195 O GLY A 15 11.301 -3.560 -3.936 1.00 0.00 O ATOM 0 H GLY A 15 8.181 -5.800 -2.635 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.865 -6.082 -3.811 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.438 -5.427 -4.590 1.00 0.00 H new ATOM 199 N VAL A 16 9.830 -3.428 -2.213 1.00 0.00 N ATOM 200 CA VAL A 16 10.052 -1.995 -2.020 1.00 0.00 C ATOM 201 C VAL A 16 10.155 -1.686 -0.553 1.00 0.00 C ATOM 202 O VAL A 16 9.667 -2.427 0.298 1.00 0.00 O ATOM 203 CB VAL A 16 8.895 -1.139 -2.640 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.086 0.382 -2.700 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.504 -1.594 -4.051 1.00 0.00 C ATOM 0 H VAL A 16 9.229 -3.868 -1.517 1.00 0.00 H new ATOM 0 HA VAL A 16 10.982 -1.737 -2.528 1.00 0.00 H new ATOM 0 HB VAL A 16 8.108 -1.331 -1.910 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.207 0.841 -3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.221 0.772 -1.691 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.966 0.615 -3.299 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.698 -0.963 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.367 -1.512 -4.712 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.168 -2.631 -4.019 1.00 0.00 H new ATOM 215 N LEU A 17 10.707 -0.471 -0.281 1.00 0.00 N ATOM 216 CA LEU A 17 10.851 0.186 1.005 1.00 0.00 C ATOM 217 C LEU A 17 9.470 0.690 1.352 1.00 0.00 C ATOM 218 O LEU A 17 9.004 1.688 0.802 1.00 0.00 O ATOM 219 CB LEU A 17 11.894 1.332 1.006 1.00 0.00 C ATOM 220 CG LEU A 17 12.070 2.121 2.334 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.408 1.236 3.547 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.094 3.261 2.176 1.00 0.00 C ATOM 0 H LEU A 17 11.088 0.104 -1.033 1.00 0.00 H new ATOM 0 HA LEU A 17 11.236 -0.515 1.746 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.861 0.911 0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.621 2.040 0.224 1.00 0.00 H new ATOM 0 HG LEU A 17 11.093 2.555 2.548 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.515 1.860 4.434 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.607 0.514 3.705 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.342 0.706 3.362 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.194 3.794 3.122 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.060 2.845 1.889 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.753 3.952 1.405 1.00 0.00 H new ATOM 234 N THR A 18 8.794 -0.026 2.266 1.00 0.00 N ATOM 235 CA THR A 18 7.440 0.236 2.684 1.00 0.00 C ATOM 236 C THR A 18 7.509 0.297 4.164 1.00 0.00 C ATOM 237 O THR A 18 8.534 -0.020 4.760 1.00 0.00 O ATOM 238 CB THR A 18 6.476 -0.944 2.309 1.00 0.00 C ATOM 239 OG1 THR A 18 7.154 -2.199 2.272 1.00 0.00 O ATOM 240 CG2 THR A 18 5.752 -0.724 0.982 1.00 0.00 C ATOM 0 H THR A 18 9.206 -0.829 2.741 1.00 0.00 H new ATOM 0 HA THR A 18 7.063 1.141 2.208 1.00 0.00 H new ATOM 0 HB THR A 18 5.730 -0.964 3.104 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.538 -2.389 3.153 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.100 -1.574 0.778 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.154 0.186 1.040 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.484 -0.627 0.180 1.00 0.00 H new ATOM 248 N CYS A 19 6.367 0.679 4.796 1.00 0.00 N ATOM 249 CA CYS A 19 6.252 0.774 6.241 1.00 0.00 C ATOM 250 C CYS A 19 6.004 -0.628 6.772 1.00 0.00 C ATOM 251 O CYS A 19 6.062 -1.609 6.031 1.00 0.00 O ATOM 252 CB CYS A 19 5.243 1.819 6.821 1.00 0.00 C ATOM 253 SG CYS A 19 3.468 1.666 6.396 1.00 0.00 S ATOM 0 H CYS A 19 5.511 0.926 4.300 1.00 0.00 H new ATOM 0 HA CYS A 19 7.196 1.188 6.596 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.325 1.789 7.907 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.574 2.808 6.504 1.00 0.00 H new ATOM 258 N GLY A 20 5.691 -0.747 8.083 1.00 0.00 N ATOM 259 CA GLY A 20 5.420 -2.016 8.737 1.00 0.00 C ATOM 260 C GLY A 20 4.093 -2.576 8.295 1.00 0.00 C ATOM 261 O GLY A 20 3.973 -3.766 8.007 1.00 0.00 O ATOM 0 H GLY A 20 5.623 0.054 8.710 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.214 -2.726 8.505 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.420 -1.880 9.818 1.00 0.00 H new ATOM 265 N SER A 21 3.085 -1.677 8.172 1.00 0.00 N ATOM 266 CA SER A 21 1.716 -1.975 7.803 1.00 0.00 C ATOM 267 C SER A 21 1.532 -2.301 6.337 1.00 0.00 C ATOM 268 O SER A 21 0.698 -3.145 6.027 1.00 0.00 O ATOM 269 CB SER A 21 0.748 -0.828 8.164 1.00 0.00 C ATOM 270 OG SER A 21 0.833 -0.515 9.547 1.00 0.00 O ATOM 0 H SER A 21 3.232 -0.682 8.340 1.00 0.00 H new ATOM 0 HA SER A 21 1.478 -2.865 8.386 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.986 0.055 7.571 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.273 -1.115 7.913 1.00 0.00 H new ATOM 0 HG SER A 21 0.214 0.215 9.756 1.00 0.00 H new ATOM 276 N CYS A 22 2.305 -1.656 5.402 1.00 0.00 N ATOM 277 CA CYS A 22 2.155 -1.785 3.949 1.00 0.00 C ATOM 278 C CYS A 22 2.567 -3.132 3.432 1.00 0.00 C ATOM 279 O CYS A 22 2.118 -3.556 2.369 1.00 0.00 O ATOM 280 CB CYS A 22 2.726 -0.640 3.087 1.00 0.00 C ATOM 281 SG CYS A 22 1.644 0.830 3.192 1.00 0.00 S ATOM 0 H CYS A 22 3.060 -1.023 5.666 1.00 0.00 H new ATOM 0 HA CYS A 22 1.077 -1.687 3.823 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.730 -0.386 3.426 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.812 -0.964 2.050 1.00 0.00 H new ATOM 286 N LYS A 23 3.373 -3.860 4.240 1.00 0.00 N ATOM 287 CA LYS A 23 3.817 -5.219 4.030 1.00 0.00 C ATOM 288 C LYS A 23 2.611 -6.136 4.115 1.00 0.00 C ATOM 289 O LYS A 23 2.228 -6.798 3.155 1.00 0.00 O ATOM 290 CB LYS A 23 4.916 -5.635 5.048 1.00 0.00 C ATOM 291 CG LYS A 23 5.365 -7.116 5.033 1.00 0.00 C ATOM 292 CD LYS A 23 6.344 -7.471 6.167 1.00 0.00 C ATOM 293 CE LYS A 23 6.544 -8.987 6.332 1.00 0.00 C ATOM 294 NZ LYS A 23 7.545 -9.284 7.354 1.00 0.00 N ATOM 0 H LYS A 23 3.743 -3.470 5.107 1.00 0.00 H new ATOM 0 HA LYS A 23 4.273 -5.298 3.043 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.794 -5.013 4.871 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.556 -5.401 6.050 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.485 -7.755 5.109 1.00 0.00 H new ATOM 0 HG3 LYS A 23 5.836 -7.335 4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 23 7.308 -7.002 5.968 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.974 -7.054 7.104 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.597 -9.453 6.602 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.853 -9.421 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.657 -10.314 7.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 8.455 -8.859 7.083 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.237 -8.891 8.266 1.00 0.00 H new ATOM 308 N VAL A 24 1.974 -6.121 5.305 1.00 0.00 N ATOM 309 CA VAL A 24 0.838 -6.917 5.741 1.00 0.00 C ATOM 310 C VAL A 24 -0.402 -6.657 4.933 1.00 0.00 C ATOM 311 O VAL A 24 -1.160 -7.572 4.616 1.00 0.00 O ATOM 312 CB VAL A 24 0.530 -6.674 7.251 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.553 -7.611 7.822 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.804 -6.717 8.121 1.00 0.00 C ATOM 0 H VAL A 24 2.281 -5.488 6.044 1.00 0.00 H new ATOM 0 HA VAL A 24 1.125 -7.957 5.586 1.00 0.00 H new ATOM 0 HB VAL A 24 0.121 -5.664 7.294 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.713 -7.383 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.484 -7.467 7.274 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.229 -8.647 7.720 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.539 -6.543 9.164 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.277 -7.694 8.026 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.498 -5.944 7.789 1.00 0.00 H new ATOM 324 N PHE A 25 -0.582 -5.368 4.583 1.00 0.00 N ATOM 325 CA PHE A 25 -1.612 -4.763 3.776 1.00 0.00 C ATOM 326 C PHE A 25 -1.647 -5.408 2.426 1.00 0.00 C ATOM 327 O PHE A 25 -2.666 -5.949 2.015 1.00 0.00 O ATOM 328 CB PHE A 25 -1.260 -3.264 3.611 1.00 0.00 C ATOM 329 CG PHE A 25 -2.103 -2.495 2.628 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.508 -2.505 2.652 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.436 -1.917 1.535 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.229 -1.976 1.575 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.153 -1.411 0.457 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.551 -1.438 0.473 1.00 0.00 C ATOM 0 H PHE A 25 0.078 -4.661 4.907 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.585 -4.887 4.251 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.342 -2.782 4.585 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.217 -3.187 3.304 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.031 -2.920 3.501 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.357 -1.865 1.532 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.309 -1.983 1.593 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.630 -0.997 -0.393 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.108 -1.044 -0.364 1.00 0.00 H new ATOM 344 N PHE A 26 -0.472 -5.347 1.763 1.00 0.00 N ATOM 345 CA PHE A 26 -0.168 -5.824 0.439 1.00 0.00 C ATOM 346 C PHE A 26 -0.322 -7.318 0.337 1.00 0.00 C ATOM 347 O PHE A 26 -0.909 -7.826 -0.607 1.00 0.00 O ATOM 348 CB PHE A 26 1.247 -5.365 0.012 1.00 0.00 C ATOM 349 CG PHE A 26 1.647 -5.804 -1.376 1.00 0.00 C ATOM 350 CD1 PHE A 26 0.949 -5.373 -2.516 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.723 -6.687 -1.536 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.352 -5.780 -3.794 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.128 -7.092 -2.807 1.00 0.00 C ATOM 354 CZ PHE A 26 2.444 -6.646 -3.941 1.00 0.00 C ATOM 0 H PHE A 26 0.346 -4.921 2.198 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.889 -5.387 -0.252 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.295 -4.277 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.973 -5.752 0.727 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.094 -4.722 -2.406 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.244 -7.058 -0.666 1.00 0.00 H new ATOM 0 HE1 PHE A 26 0.821 -5.427 -4.666 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.975 -7.754 -2.916 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.755 -6.967 -4.924 1.00 0.00 H new ATOM 364 N LYS A 27 0.169 -8.049 1.354 1.00 0.00 N ATOM 365 CA LYS A 27 0.175 -9.499 1.430 1.00 0.00 C ATOM 366 C LYS A 27 -1.232 -10.061 1.606 1.00 0.00 C ATOM 367 O LYS A 27 -1.498 -11.203 1.232 1.00 0.00 O ATOM 368 CB LYS A 27 1.282 -10.022 2.380 1.00 0.00 C ATOM 369 CG LYS A 27 1.383 -11.550 2.581 1.00 0.00 C ATOM 370 CD LYS A 27 0.653 -12.084 3.830 1.00 0.00 C ATOM 371 CE LYS A 27 1.305 -11.643 5.156 1.00 0.00 C ATOM 372 NZ LYS A 27 0.608 -12.209 6.310 1.00 0.00 N ATOM 0 H LYS A 27 0.588 -7.614 2.176 1.00 0.00 H new ATOM 0 HA LYS A 27 0.477 -9.915 0.469 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.242 -9.667 2.006 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.132 -9.563 3.357 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.977 -12.047 1.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 2.436 -11.826 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -0.382 -11.742 3.811 1.00 0.00 H new ATOM 0 HD3 LYS A 27 0.629 -13.173 3.790 1.00 0.00 H new ATOM 0 HE2 LYS A 27 2.349 -11.956 5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.297 -10.555 5.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 1.072 -11.893 7.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -0.382 -11.890 6.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.637 -13.247 6.258 1.00 0.00 H new ATOM 386 N ARG A 28 -2.177 -9.223 2.117 1.00 0.00 N ATOM 387 CA ARG A 28 -3.594 -9.526 2.239 1.00 0.00 C ATOM 388 C ARG A 28 -4.299 -9.120 0.967 1.00 0.00 C ATOM 389 O ARG A 28 -5.178 -9.819 0.475 1.00 0.00 O ATOM 390 CB ARG A 28 -4.261 -8.789 3.430 1.00 0.00 C ATOM 391 CG ARG A 28 -4.677 -9.719 4.581 1.00 0.00 C ATOM 392 CD ARG A 28 -3.498 -10.453 5.251 1.00 0.00 C ATOM 393 NE ARG A 28 -3.986 -11.238 6.446 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.358 -10.639 7.624 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.905 -9.399 7.975 1.00 0.00 N ATOM 396 NH2 ARG A 28 -5.199 -11.306 8.469 1.00 0.00 N ATOM 0 H ARG A 28 -1.944 -8.291 2.461 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.681 -10.598 2.417 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.570 -8.038 3.814 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.141 -8.257 3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.203 -9.134 5.335 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.383 -10.458 4.201 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.023 -11.124 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.742 -9.733 5.563 1.00 0.00 H new ATOM 0 HE ARG A 28 -4.041 -12.254 6.375 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.273 -8.893 7.355 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.199 -8.979 8.857 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -5.541 -12.234 8.221 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -5.485 -10.876 9.348 1.00 0.00 H new ATOM 410 N ALA A 29 -3.876 -7.969 0.405 1.00 0.00 N ATOM 411 CA ALA A 29 -4.402 -7.284 -0.762 1.00 0.00 C ATOM 412 C ALA A 29 -4.136 -7.989 -2.064 1.00 0.00 C ATOM 413 O ALA A 29 -4.711 -7.638 -3.093 1.00 0.00 O ATOM 414 CB ALA A 29 -3.810 -5.875 -0.897 1.00 0.00 C ATOM 0 H ALA A 29 -3.086 -7.461 0.803 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.478 -7.258 -0.588 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.224 -5.389 -1.780 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.058 -5.290 -0.011 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.727 -5.943 -0.995 1.00 0.00 H new ATOM 420 N VAL A 30 -3.238 -8.996 -2.026 1.00 0.00 N ATOM 421 CA VAL A 30 -2.814 -9.791 -3.150 1.00 0.00 C ATOM 422 C VAL A 30 -3.423 -11.154 -2.977 1.00 0.00 C ATOM 423 O VAL A 30 -4.232 -11.598 -3.790 1.00 0.00 O ATOM 424 CB VAL A 30 -1.260 -9.890 -3.263 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.796 -10.855 -4.373 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.583 -8.521 -3.456 1.00 0.00 C ATOM 0 H VAL A 30 -2.779 -9.274 -1.158 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.147 -9.321 -4.075 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.943 -10.297 -2.302 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.293 -10.880 -4.401 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.177 -11.856 -4.168 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.176 -10.512 -5.335 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.496 -8.656 -3.528 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.953 -8.058 -4.371 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.813 -7.878 -2.606 1.00 0.00 H new ATOM 436 N GLU A 31 -2.992 -11.844 -1.899 1.00 0.00 N ATOM 437 CA GLU A 31 -3.345 -13.209 -1.576 1.00 0.00 C ATOM 438 C GLU A 31 -4.413 -13.210 -0.520 1.00 0.00 C ATOM 439 O GLU A 31 -4.256 -13.763 0.568 1.00 0.00 O ATOM 440 CB GLU A 31 -2.130 -14.057 -1.130 1.00 0.00 C ATOM 441 CG GLU A 31 -1.053 -14.186 -2.229 1.00 0.00 C ATOM 442 CD GLU A 31 0.045 -15.173 -1.817 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.726 -14.918 -0.788 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.217 -16.198 -2.531 1.00 0.00 O ATOM 0 H GLU A 31 -2.362 -11.431 -1.212 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.722 -13.677 -2.486 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -1.685 -13.607 -0.243 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.472 -15.052 -0.845 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.516 -14.520 -3.158 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.612 -13.209 -2.426 1.00 0.00 H new ATOM 451 N GLY A 32 -5.559 -12.596 -0.876 1.00 0.00 N ATOM 452 CA GLY A 32 -6.717 -12.556 -0.006 1.00 0.00 C ATOM 453 C GLY A 32 -7.946 -12.307 -0.818 1.00 0.00 C ATOM 454 O GLY A 32 -7.982 -12.592 -2.015 1.00 0.00 O ATOM 0 H GLY A 32 -5.692 -12.122 -1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.811 -13.498 0.535 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.597 -11.771 0.740 1.00 0.00 H new ATOM 458 N GLN A 33 -8.998 -11.763 -0.149 1.00 0.00 N ATOM 459 CA GLN A 33 -10.297 -11.470 -0.724 1.00 0.00 C ATOM 460 C GLN A 33 -10.351 -10.041 -1.179 1.00 0.00 C ATOM 461 O GLN A 33 -10.881 -9.743 -2.249 1.00 0.00 O ATOM 462 CB GLN A 33 -11.480 -11.774 0.232 1.00 0.00 C ATOM 463 CG GLN A 33 -11.365 -11.181 1.658 1.00 0.00 C ATOM 464 CD GLN A 33 -12.664 -11.420 2.443 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.821 -12.453 3.104 1.00 0.00 O ATOM 466 NE2 GLN A 33 -13.605 -10.430 2.353 1.00 0.00 N ATOM 0 H GLN A 33 -8.941 -11.516 0.839 1.00 0.00 H new ATOM 0 HA GLN A 33 -10.414 -12.137 -1.578 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -12.396 -11.399 -0.224 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.585 -12.856 0.316 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -10.526 -11.638 2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.160 -10.112 1.599 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -13.419 -9.599 1.792 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -14.492 -10.523 2.847 1.00 0.00 H new ATOM 475 N HIS A 34 -9.797 -9.133 -0.337 1.00 0.00 N ATOM 476 CA HIS A 34 -9.677 -7.692 -0.518 1.00 0.00 C ATOM 477 C HIS A 34 -10.959 -7.027 -0.064 1.00 0.00 C ATOM 478 O HIS A 34 -12.028 -7.636 -0.112 1.00 0.00 O ATOM 479 CB HIS A 34 -9.266 -7.223 -1.940 1.00 0.00 C ATOM 480 CG HIS A 34 -8.244 -8.132 -2.599 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.221 -8.227 -3.980 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.380 -9.036 -2.051 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.362 -9.194 -4.238 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.831 -9.724 -3.109 1.00 0.00 N ATOM 0 H HIS A 34 -9.395 -9.429 0.553 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.838 -7.379 0.103 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.155 -7.171 -2.569 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.859 -6.214 -1.879 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.170 -9.181 -1.002 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.110 -9.526 -5.235 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -6.155 -10.486 -3.054 1.00 0.00 H new ATOM 492 N ASN A 35 -10.886 -5.750 0.396 1.00 0.00 N ATOM 493 CA ASN A 35 -12.057 -5.039 0.871 1.00 0.00 C ATOM 494 C ASN A 35 -11.739 -3.561 0.799 1.00 0.00 C ATOM 495 O ASN A 35 -11.877 -2.833 1.783 1.00 0.00 O ATOM 496 CB ASN A 35 -12.464 -5.484 2.316 1.00 0.00 C ATOM 497 CG ASN A 35 -13.907 -5.088 2.700 1.00 0.00 C ATOM 498 OD1 ASN A 35 -14.865 -5.445 2.005 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.036 -4.335 3.834 1.00 0.00 N ATOM 0 H ASN A 35 -10.021 -5.211 0.440 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.921 -5.269 0.247 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -12.359 -6.566 2.397 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -11.772 -5.042 3.032 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.960 -4.038 4.147 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -13.208 -4.070 4.367 1.00 0.00 H new ATOM 506 N TYR A 36 -11.312 -3.073 -0.396 1.00 0.00 N ATOM 507 CA TYR A 36 -10.971 -1.691 -0.629 1.00 0.00 C ATOM 508 C TYR A 36 -11.546 -1.376 -1.984 1.00 0.00 C ATOM 509 O TYR A 36 -11.225 -2.042 -2.968 1.00 0.00 O ATOM 510 CB TYR A 36 -9.449 -1.389 -0.578 1.00 0.00 C ATOM 511 CG TYR A 36 -8.613 -2.518 -0.020 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.510 -2.716 1.369 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.915 -3.385 -0.881 1.00 0.00 C ATOM 514 CE1 TYR A 36 -7.739 -3.762 1.887 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.136 -4.427 -0.366 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.047 -4.618 1.020 1.00 0.00 C ATOM 517 OH TYR A 36 -6.256 -5.665 1.543 1.00 0.00 O ATOM 0 H TYR A 36 -11.202 -3.660 -1.223 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.379 -1.067 0.166 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.102 -1.158 -1.585 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.287 -0.498 0.028 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.032 -2.053 2.043 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.981 -3.245 -1.950 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.677 -3.910 2.955 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.603 -5.085 -1.037 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.592 -6.525 1.214 1.00 0.00 H new ATOM 527 N LEU A 37 -12.426 -0.342 -2.045 1.00 0.00 N ATOM 528 CA LEU A 37 -13.139 0.071 -3.239 1.00 0.00 C ATOM 529 C LEU A 37 -12.722 1.480 -3.584 1.00 0.00 C ATOM 530 O LEU A 37 -13.115 2.434 -2.912 1.00 0.00 O ATOM 531 CB LEU A 37 -14.678 0.074 -3.034 1.00 0.00 C ATOM 532 CG LEU A 37 -15.404 -1.292 -3.162 1.00 0.00 C ATOM 533 CD1 LEU A 37 -14.906 -2.391 -2.203 1.00 0.00 C ATOM 534 CD2 LEU A 37 -16.927 -1.100 -3.023 1.00 0.00 C ATOM 0 H LEU A 37 -12.651 0.230 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.896 -0.638 -4.030 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.888 0.479 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -15.116 0.761 -3.759 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.157 -1.658 -4.159 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -15.475 -3.305 -2.370 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -13.849 -2.583 -2.387 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -15.041 -2.063 -1.172 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -17.425 -2.065 -3.115 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -17.152 -0.667 -2.048 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -17.283 -0.432 -3.808 1.00 0.00 H new ATOM 546 N CYS A 38 -11.924 1.623 -4.671 1.00 0.00 N ATOM 547 CA CYS A 38 -11.495 2.889 -5.234 1.00 0.00 C ATOM 548 C CYS A 38 -10.818 2.495 -6.519 1.00 0.00 C ATOM 549 O CYS A 38 -9.770 3.007 -6.913 1.00 0.00 O ATOM 550 CB CYS A 38 -10.538 3.706 -4.327 1.00 0.00 C ATOM 551 SG CYS A 38 -10.671 5.512 -4.445 1.00 0.00 S ATOM 0 H CYS A 38 -11.559 0.821 -5.184 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.345 3.559 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.716 3.416 -3.292 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.513 3.421 -4.566 1.00 0.00 H new ATOM 556 N ALA A 39 -11.470 1.532 -7.194 1.00 0.00 N ATOM 557 CA ALA A 39 -11.067 0.894 -8.418 1.00 0.00 C ATOM 558 C ALA A 39 -11.830 1.483 -9.568 1.00 0.00 C ATOM 559 O ALA A 39 -11.489 1.272 -10.731 1.00 0.00 O ATOM 560 CB ALA A 39 -11.344 -0.616 -8.373 1.00 0.00 C ATOM 0 H ALA A 39 -12.359 1.165 -6.855 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.997 1.056 -8.544 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.029 -1.072 -9.312 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -10.789 -1.063 -7.548 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.411 -0.786 -8.227 1.00 0.00 H new ATOM 566 N GLY A 40 -12.893 2.249 -9.229 1.00 0.00 N ATOM 567 CA GLY A 40 -13.780 2.922 -10.147 1.00 0.00 C ATOM 568 C GLY A 40 -13.423 4.375 -10.239 1.00 0.00 C ATOM 569 O GLY A 40 -13.953 5.081 -11.097 1.00 0.00 O ATOM 0 H GLY A 40 -13.150 2.409 -8.255 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -13.714 2.461 -11.132 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -14.812 2.814 -9.813 1.00 0.00 H new ATOM 573 N ARG A 41 -12.503 4.857 -9.359 1.00 0.00 N ATOM 574 CA ARG A 41 -12.056 6.219 -9.328 1.00 0.00 C ATOM 575 C ARG A 41 -10.576 6.154 -9.534 1.00 0.00 C ATOM 576 O ARG A 41 -10.094 6.247 -10.663 1.00 0.00 O ATOM 577 CB ARG A 41 -12.422 6.966 -8.021 1.00 0.00 C ATOM 578 CG ARG A 41 -13.934 7.192 -7.819 1.00 0.00 C ATOM 579 CD ARG A 41 -14.567 8.157 -8.843 1.00 0.00 C ATOM 580 NE ARG A 41 -16.045 8.322 -8.577 1.00 0.00 N ATOM 581 CZ ARG A 41 -16.968 7.346 -8.862 1.00 0.00 C ATOM 582 NH1 ARG A 41 -16.707 6.345 -9.753 1.00 0.00 N ATOM 583 NH2 ARG A 41 -18.187 7.391 -8.247 1.00 0.00 N ATOM 0 H ARG A 41 -12.061 4.273 -8.649 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.557 6.799 -10.104 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -12.035 6.401 -7.173 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.919 7.933 -8.016 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.445 6.231 -7.877 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -14.102 7.583 -6.815 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.072 9.127 -8.790 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.414 7.776 -9.853 1.00 0.00 H new ATOM 0 HE ARG A 41 -16.372 9.197 -8.168 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -15.805 6.308 -10.228 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.414 5.634 -9.943 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.399 8.141 -7.589 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -18.885 6.675 -8.446 1.00 0.00 H new ATOM 597 N ASN A 42 -9.830 6.017 -8.408 1.00 0.00 N ATOM 598 CA ASN A 42 -8.385 6.022 -8.278 1.00 0.00 C ATOM 599 C ASN A 42 -7.947 7.447 -8.592 1.00 0.00 C ATOM 600 O ASN A 42 -7.222 7.699 -9.554 1.00 0.00 O ATOM 601 CB ASN A 42 -7.613 4.907 -9.064 1.00 0.00 C ATOM 602 CG ASN A 42 -6.086 4.897 -8.828 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.296 5.210 -9.723 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.704 4.523 -7.575 1.00 0.00 N ATOM 0 H ASN A 42 -10.281 5.891 -7.502 1.00 0.00 H new ATOM 0 HA ASN A 42 -8.110 5.741 -7.262 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -8.018 3.935 -8.782 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.802 5.034 -10.130 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.714 4.490 -7.332 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.408 4.276 -6.880 1.00 0.00 H new ATOM 611 N ASP A 43 -8.451 8.409 -7.782 1.00 0.00 N ATOM 612 CA ASP A 43 -8.148 9.819 -7.919 1.00 0.00 C ATOM 613 C ASP A 43 -7.236 10.258 -6.829 1.00 0.00 C ATOM 614 O ASP A 43 -6.188 10.847 -7.092 1.00 0.00 O ATOM 615 CB ASP A 43 -9.377 10.789 -7.866 1.00 0.00 C ATOM 616 CG ASP A 43 -10.690 10.290 -7.230 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.676 9.841 -6.057 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.740 10.399 -7.920 1.00 0.00 O ATOM 0 H ASP A 43 -9.086 8.205 -7.010 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.708 9.887 -8.914 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.068 11.684 -7.326 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.601 11.095 -8.888 1.00 0.00 H new ATOM 623 N CYS A 44 -7.645 9.993 -5.570 1.00 0.00 N ATOM 624 CA CYS A 44 -7.019 10.427 -4.361 1.00 0.00 C ATOM 625 C CYS A 44 -5.587 9.952 -4.212 1.00 0.00 C ATOM 626 O CYS A 44 -5.250 8.817 -4.547 1.00 0.00 O ATOM 627 CB CYS A 44 -7.844 10.032 -3.088 1.00 0.00 C ATOM 628 SG CYS A 44 -9.177 8.788 -3.281 1.00 0.00 S ATOM 0 H CYS A 44 -8.478 9.432 -5.389 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.994 11.514 -4.441 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -7.145 9.660 -2.339 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.290 10.940 -2.684 1.00 0.00 H new ATOM 633 N ILE A 45 -4.716 10.852 -3.689 1.00 0.00 N ATOM 634 CA ILE A 45 -3.309 10.605 -3.438 1.00 0.00 C ATOM 635 C ILE A 45 -3.276 10.015 -2.058 1.00 0.00 C ATOM 636 O ILE A 45 -4.027 10.436 -1.182 1.00 0.00 O ATOM 637 CB ILE A 45 -2.428 11.892 -3.511 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.571 12.617 -4.875 1.00 0.00 C ATOM 639 CG2 ILE A 45 -0.936 11.657 -3.161 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.124 11.806 -6.102 1.00 0.00 C ATOM 0 H ILE A 45 -5.003 11.796 -3.428 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.890 9.949 -4.201 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.821 12.545 -2.732 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.615 12.901 -5.009 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.992 13.540 -4.840 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.392 12.599 -3.235 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.857 11.271 -2.145 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.508 10.935 -3.857 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.265 12.403 -7.003 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.071 11.544 -6.001 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.719 10.896 -6.173 1.00 0.00 H new ATOM 652 N ILE A 46 -2.402 9.004 -1.867 1.00 0.00 N ATOM 653 CA ILE A 46 -2.235 8.272 -0.639 1.00 0.00 C ATOM 654 C ILE A 46 -0.879 8.672 -0.145 1.00 0.00 C ATOM 655 O ILE A 46 0.136 8.480 -0.812 1.00 0.00 O ATOM 656 CB ILE A 46 -2.456 6.741 -0.877 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.886 6.295 -0.492 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.450 5.755 -0.248 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.034 7.198 -0.939 1.00 0.00 C ATOM 0 H ILE A 46 -1.779 8.679 -2.606 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.973 8.503 0.130 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.282 6.674 -1.951 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.055 5.301 -0.906 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.931 6.200 0.593 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.735 4.734 -0.501 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.451 5.959 -0.634 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.452 5.875 0.835 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.981 6.774 -0.607 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.908 8.189 -0.504 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.033 7.276 -2.026 1.00 0.00 H new ATOM 671 N ASP A 47 -0.883 9.267 1.065 1.00 0.00 N ATOM 672 CA ASP A 47 0.286 9.712 1.769 1.00 0.00 C ATOM 673 C ASP A 47 -0.076 9.534 3.220 1.00 0.00 C ATOM 674 O ASP A 47 -1.047 8.853 3.530 1.00 0.00 O ATOM 675 CB ASP A 47 0.840 11.097 1.336 1.00 0.00 C ATOM 676 CG ASP A 47 -0.152 12.262 1.485 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.298 12.783 2.623 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.773 12.640 0.456 1.00 0.00 O ATOM 0 H ASP A 47 -1.746 9.447 1.579 1.00 0.00 H new ATOM 0 HA ASP A 47 1.171 9.125 1.523 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.730 11.318 1.926 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.155 11.037 0.294 1.00 0.00 H new ATOM 683 N LYS A 48 0.708 10.142 4.144 1.00 0.00 N ATOM 684 CA LYS A 48 0.622 9.982 5.590 1.00 0.00 C ATOM 685 C LYS A 48 -0.658 10.447 6.255 1.00 0.00 C ATOM 686 O LYS A 48 -0.900 10.144 7.423 1.00 0.00 O ATOM 687 CB LYS A 48 1.805 10.701 6.287 1.00 0.00 C ATOM 688 CG LYS A 48 2.292 10.025 7.585 1.00 0.00 C ATOM 689 CD LYS A 48 3.261 10.875 8.430 1.00 0.00 C ATOM 690 CE LYS A 48 2.589 12.087 9.103 1.00 0.00 C ATOM 691 NZ LYS A 48 3.521 12.808 9.969 1.00 0.00 N ATOM 0 H LYS A 48 1.450 10.787 3.872 1.00 0.00 H new ATOM 0 HA LYS A 48 0.649 8.900 5.717 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.640 10.760 5.588 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.507 11.724 6.515 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.424 9.774 8.195 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.783 9.087 7.328 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.709 10.245 9.198 1.00 0.00 H new ATOM 0 HD3 LYS A 48 4.073 11.227 7.793 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.206 12.762 8.338 1.00 0.00 H new ATOM 0 HE3 LYS A 48 1.734 11.751 9.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.035 13.617 10.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 3.867 12.170 10.714 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.325 13.150 9.405 1.00 0.00 H new ATOM 705 N ILE A 49 -1.498 11.202 5.517 1.00 0.00 N ATOM 706 CA ILE A 49 -2.710 11.805 6.018 1.00 0.00 C ATOM 707 C ILE A 49 -3.876 11.273 5.241 1.00 0.00 C ATOM 708 O ILE A 49 -4.886 10.858 5.809 1.00 0.00 O ATOM 709 CB ILE A 49 -2.619 13.365 5.922 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.572 13.920 6.923 1.00 0.00 C ATOM 711 CG2 ILE A 49 -3.982 14.085 6.049 1.00 0.00 C ATOM 712 CD1 ILE A 49 -1.261 15.419 6.776 1.00 0.00 C ATOM 0 H ILE A 49 -1.330 11.403 4.531 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.846 11.551 7.069 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.280 13.587 4.910 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.928 13.736 7.937 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -0.645 13.359 6.804 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.833 15.162 5.972 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.645 13.752 5.250 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.430 13.849 7.014 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.519 15.711 7.519 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.870 15.613 5.777 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.173 15.996 6.927 1.00 0.00 H new ATOM 724 N ARG A 50 -3.744 11.328 3.901 1.00 0.00 N ATOM 725 CA ARG A 50 -4.772 11.033 2.927 1.00 0.00 C ATOM 726 C ARG A 50 -5.044 9.564 2.748 1.00 0.00 C ATOM 727 O ARG A 50 -5.976 9.198 2.031 1.00 0.00 O ATOM 728 CB ARG A 50 -4.452 11.655 1.553 1.00 0.00 C ATOM 729 CG ARG A 50 -4.448 13.201 1.537 1.00 0.00 C ATOM 730 CD ARG A 50 -5.479 13.807 0.564 1.00 0.00 C ATOM 731 NE ARG A 50 -5.050 13.533 -0.859 1.00 0.00 N ATOM 732 CZ ARG A 50 -5.891 13.750 -1.920 1.00 0.00 C ATOM 733 NH1 ARG A 50 -7.248 13.684 -1.789 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.354 14.018 -3.147 1.00 0.00 N ATOM 0 H ARG A 50 -2.863 11.596 3.462 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.674 11.484 3.339 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.476 11.298 1.225 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.183 11.298 0.827 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.650 13.568 2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.453 13.551 1.264 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.464 13.378 0.747 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.564 14.881 0.729 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.110 13.177 -1.035 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -7.663 13.468 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -7.847 13.851 -2.598 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -4.341 14.054 -3.264 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.966 14.182 -3.947 1.00 0.00 H new ATOM 748 N ARG A 51 -4.288 8.686 3.460 1.00 0.00 N ATOM 749 CA ARG A 51 -4.448 7.238 3.362 1.00 0.00 C ATOM 750 C ARG A 51 -5.652 6.722 4.138 1.00 0.00 C ATOM 751 O ARG A 51 -5.957 5.530 4.109 1.00 0.00 O ATOM 752 CB ARG A 51 -3.170 6.385 3.567 1.00 0.00 C ATOM 753 CG ARG A 51 -2.762 5.957 4.993 1.00 0.00 C ATOM 754 CD ARG A 51 -2.529 7.101 5.993 1.00 0.00 C ATOM 755 NE ARG A 51 -1.899 6.559 7.255 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.580 5.783 8.159 1.00 0.00 C ATOM 757 NH1 ARG A 51 -3.944 5.766 8.215 1.00 0.00 N ATOM 758 NH2 ARG A 51 -1.869 5.005 9.028 1.00 0.00 N ATOM 0 H ARG A 51 -3.558 8.976 4.111 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.662 7.085 2.304 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.284 5.478 2.974 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.335 6.941 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.538 5.303 5.392 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.849 5.365 4.927 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.882 7.858 5.549 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.475 7.588 6.229 1.00 0.00 H new ATOM 0 HE ARG A 51 -0.921 6.780 7.444 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.488 6.342 7.572 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.419 5.178 8.899 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.849 5.008 8.998 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.358 4.422 9.707 1.00 0.00 H new ATOM 772 N LYS A 52 -6.360 7.645 4.847 1.00 0.00 N ATOM 773 CA LYS A 52 -7.517 7.419 5.679 1.00 0.00 C ATOM 774 C LYS A 52 -8.786 7.721 4.907 1.00 0.00 C ATOM 775 O LYS A 52 -9.841 7.952 5.498 1.00 0.00 O ATOM 776 CB LYS A 52 -7.497 8.328 6.932 1.00 0.00 C ATOM 777 CG LYS A 52 -6.283 8.103 7.852 1.00 0.00 C ATOM 778 CD LYS A 52 -6.168 9.120 9.007 1.00 0.00 C ATOM 779 CE LYS A 52 -7.373 9.172 9.966 1.00 0.00 C ATOM 780 NZ LYS A 52 -7.578 7.902 10.661 1.00 0.00 N ATOM 0 H LYS A 52 -6.096 8.630 4.833 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.492 6.373 5.986 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.509 9.370 6.612 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.409 8.160 7.504 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.340 7.099 8.271 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.374 8.147 7.252 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.275 8.887 9.586 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.021 10.113 8.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -7.219 9.965 10.698 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -8.272 9.427 9.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.398 7.982 11.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -7.751 7.149 9.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -6.731 7.670 11.218 1.00 0.00 H new ATOM 794 N ASN A 53 -8.704 7.725 3.555 1.00 0.00 N ATOM 795 CA ASN A 53 -9.787 7.996 2.641 1.00 0.00 C ATOM 796 C ASN A 53 -10.139 6.682 2.008 1.00 0.00 C ATOM 797 O ASN A 53 -11.300 6.442 1.680 1.00 0.00 O ATOM 798 CB ASN A 53 -9.449 9.042 1.533 1.00 0.00 C ATOM 799 CG ASN A 53 -9.463 10.484 2.081 1.00 0.00 C ATOM 800 OD1 ASN A 53 -10.358 11.261 1.728 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.465 10.841 2.945 1.00 0.00 N ATOM 0 H ASN A 53 -7.828 7.527 3.071 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.611 8.438 3.201 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.467 8.822 1.114 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.170 8.955 0.720 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.436 11.786 3.329 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.749 10.163 3.206 1.00 0.00 H new ATOM 808 N CYS A 54 -9.128 5.797 1.830 1.00 0.00 N ATOM 809 CA CYS A 54 -9.303 4.498 1.227 1.00 0.00 C ATOM 810 C CYS A 54 -8.013 3.727 1.478 1.00 0.00 C ATOM 811 O CYS A 54 -6.940 4.322 1.364 1.00 0.00 O ATOM 812 CB CYS A 54 -9.631 4.532 -0.305 1.00 0.00 C ATOM 813 SG CYS A 54 -8.577 5.714 -1.212 1.00 0.00 S ATOM 0 H CYS A 54 -8.167 5.989 2.112 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.172 4.021 1.680 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.499 3.535 -0.725 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.678 4.801 -0.444 1.00 0.00 H new ATOM 818 N PRO A 55 -8.072 2.402 1.737 1.00 0.00 N ATOM 819 CA PRO A 55 -6.916 1.518 1.627 1.00 0.00 C ATOM 820 C PRO A 55 -6.883 0.884 0.236 1.00 0.00 C ATOM 821 O PRO A 55 -6.420 -0.245 0.102 1.00 0.00 O ATOM 822 CB PRO A 55 -7.133 0.472 2.728 1.00 0.00 C ATOM 823 CG PRO A 55 -8.487 0.811 3.376 1.00 0.00 C ATOM 824 CD PRO A 55 -9.188 1.713 2.361 1.00 0.00 C ATOM 0 HA PRO A 55 -5.962 2.031 1.749 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.141 -0.536 2.312 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.329 0.507 3.463 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.068 -0.090 3.573 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -8.353 1.319 4.331 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.767 1.138 1.638 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -9.877 2.407 2.842 1.00 0.00 H new ATOM 832 N ALA A 56 -7.366 1.547 -0.848 1.00 0.00 N ATOM 833 CA ALA A 56 -7.546 0.978 -2.161 1.00 0.00 C ATOM 834 C ALA A 56 -6.512 1.567 -3.071 1.00 0.00 C ATOM 835 O ALA A 56 -5.841 0.841 -3.798 1.00 0.00 O ATOM 836 CB ALA A 56 -8.926 1.283 -2.731 1.00 0.00 C ATOM 0 H ALA A 56 -7.644 2.527 -0.803 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.447 -0.105 -2.083 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.018 0.836 -3.721 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.691 0.870 -2.073 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.058 2.362 -2.807 1.00 0.00 H new ATOM 842 N CYS A 57 -6.335 2.919 -3.024 1.00 0.00 N ATOM 843 CA CYS A 57 -5.342 3.675 -3.752 1.00 0.00 C ATOM 844 C CYS A 57 -3.934 3.312 -3.375 1.00 0.00 C ATOM 845 O CYS A 57 -3.053 3.322 -4.225 1.00 0.00 O ATOM 846 CB CYS A 57 -5.510 5.200 -3.630 1.00 0.00 C ATOM 847 SG CYS A 57 -6.914 5.918 -4.564 1.00 0.00 S ATOM 0 H CYS A 57 -6.923 3.515 -2.441 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.517 3.394 -4.790 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.631 5.451 -2.576 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.590 5.677 -3.968 1.00 0.00 H new ATOM 852 N ARG A 58 -3.726 2.922 -2.094 1.00 0.00 N ATOM 853 CA ARG A 58 -2.470 2.463 -1.530 1.00 0.00 C ATOM 854 C ARG A 58 -2.010 1.177 -2.171 1.00 0.00 C ATOM 855 O ARG A 58 -0.814 0.909 -2.226 1.00 0.00 O ATOM 856 CB ARG A 58 -2.447 2.193 0.001 1.00 0.00 C ATOM 857 CG ARG A 58 -3.478 2.969 0.831 1.00 0.00 C ATOM 858 CD ARG A 58 -3.261 2.924 2.358 1.00 0.00 C ATOM 859 NE ARG A 58 -3.151 1.509 2.874 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.156 1.248 4.222 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.724 2.103 5.122 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.578 0.096 4.677 1.00 0.00 N ATOM 0 H ARG A 58 -4.479 2.926 -1.406 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.817 3.312 -1.735 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -2.604 1.127 0.165 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.452 2.430 0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.470 4.011 0.510 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.470 2.575 0.609 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.354 3.473 2.611 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.089 3.428 2.857 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.072 0.737 2.212 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.162 2.966 4.799 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.710 1.879 6.117 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.151 -0.555 4.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.573 -0.112 5.675 1.00 0.00 H new ATOM 876 N TYR A 59 -2.976 0.350 -2.674 1.00 0.00 N ATOM 877 CA TYR A 59 -2.714 -0.921 -3.333 1.00 0.00 C ATOM 878 C TYR A 59 -2.144 -0.629 -4.705 1.00 0.00 C ATOM 879 O TYR A 59 -1.181 -1.261 -5.128 1.00 0.00 O ATOM 880 CB TYR A 59 -3.979 -1.815 -3.424 1.00 0.00 C ATOM 881 CG TYR A 59 -3.749 -3.184 -4.047 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.701 -4.029 -3.627 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.591 -3.627 -5.085 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.495 -5.274 -4.238 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.390 -4.871 -5.693 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.340 -5.695 -5.272 1.00 0.00 C ATOM 887 OH TYR A 59 -3.138 -6.947 -5.894 1.00 0.00 O ATOM 0 H TYR A 59 -3.970 0.574 -2.620 1.00 0.00 H new ATOM 0 HA TYR A 59 -1.997 -1.489 -2.740 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.384 -1.951 -2.421 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.737 -1.290 -4.005 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.050 -3.713 -2.825 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.404 -2.998 -5.417 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.684 -5.908 -3.911 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.045 -5.196 -6.488 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.815 -7.080 -6.590 1.00 0.00 H new ATOM 897 N ARG A 60 -2.696 0.412 -5.384 1.00 0.00 N ATOM 898 CA ARG A 60 -2.288 0.898 -6.674 1.00 0.00 C ATOM 899 C ARG A 60 -0.932 1.560 -6.600 1.00 0.00 C ATOM 900 O ARG A 60 -0.108 1.405 -7.498 1.00 0.00 O ATOM 901 CB ARG A 60 -3.347 1.874 -7.224 1.00 0.00 C ATOM 902 CG ARG A 60 -3.199 2.280 -8.700 1.00 0.00 C ATOM 903 CD ARG A 60 -3.332 1.153 -9.746 1.00 0.00 C ATOM 904 NE ARG A 60 -4.651 0.420 -9.624 1.00 0.00 N ATOM 905 CZ ARG A 60 -5.849 0.970 -10.007 1.00 0.00 C ATOM 906 NH1 ARG A 60 -5.917 2.015 -10.883 1.00 0.00 N ATOM 907 NH2 ARG A 60 -7.009 0.440 -9.515 1.00 0.00 N ATOM 0 H ARG A 60 -3.478 0.944 -5.001 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.203 0.051 -7.355 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.330 1.423 -7.090 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.326 2.779 -6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -3.949 3.039 -8.921 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.223 2.749 -8.828 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -3.243 1.575 -10.747 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -2.511 0.446 -9.624 1.00 0.00 H new ATOM 0 HE ARG A 60 -4.649 -0.525 -9.240 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -5.061 2.410 -11.273 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -6.823 2.401 -11.147 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -6.976 -0.352 -8.873 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -7.908 0.837 -9.789 1.00 0.00 H new ATOM 921 N LYS A 61 -0.692 2.288 -5.478 1.00 0.00 N ATOM 922 CA LYS A 61 0.460 3.093 -5.177 1.00 0.00 C ATOM 923 C LYS A 61 1.688 2.271 -4.914 1.00 0.00 C ATOM 924 O LYS A 61 2.754 2.545 -5.457 1.00 0.00 O ATOM 925 CB LYS A 61 0.129 4.051 -4.019 1.00 0.00 C ATOM 926 CG LYS A 61 1.169 5.142 -3.738 1.00 0.00 C ATOM 927 CD LYS A 61 1.250 6.236 -4.819 1.00 0.00 C ATOM 928 CE LYS A 61 2.389 7.250 -4.600 1.00 0.00 C ATOM 929 NZ LYS A 61 3.709 6.645 -4.783 1.00 0.00 N ATOM 0 H LYS A 61 -1.371 2.310 -4.717 1.00 0.00 H new ATOM 0 HA LYS A 61 0.703 3.688 -6.057 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.826 4.532 -4.232 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.006 3.462 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.938 5.610 -2.781 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.149 4.676 -3.636 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.381 5.762 -5.792 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.301 6.772 -4.851 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.272 8.081 -5.296 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.317 7.664 -3.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 4.441 7.380 -4.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 3.866 5.926 -4.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 3.759 6.199 -5.721 1.00 0.00 H new ATOM 943 N CYS A 62 1.527 1.200 -4.102 1.00 0.00 N ATOM 944 CA CYS A 62 2.553 0.249 -3.724 1.00 0.00 C ATOM 945 C CYS A 62 3.022 -0.560 -4.916 1.00 0.00 C ATOM 946 O CYS A 62 4.213 -0.814 -5.069 1.00 0.00 O ATOM 947 CB CYS A 62 2.185 -0.600 -2.474 1.00 0.00 C ATOM 948 SG CYS A 62 0.937 -1.914 -2.679 1.00 0.00 S ATOM 0 H CYS A 62 0.624 0.981 -3.681 1.00 0.00 H new ATOM 0 HA CYS A 62 3.417 0.825 -3.392 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.099 -1.061 -2.101 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.832 0.080 -1.699 1.00 0.00 H new ATOM 0 HG CYS A 62 1.492 -3.074 -2.487 1.00 0.00 H new ATOM 954 N LEU A 63 2.070 -0.901 -5.831 1.00 0.00 N ATOM 955 CA LEU A 63 2.280 -1.621 -7.073 1.00 0.00 C ATOM 956 C LEU A 63 3.057 -0.764 -8.044 1.00 0.00 C ATOM 957 O LEU A 63 3.962 -1.256 -8.717 1.00 0.00 O ATOM 958 CB LEU A 63 0.964 -2.102 -7.729 1.00 0.00 C ATOM 959 CG LEU A 63 0.347 -3.361 -7.074 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.103 -3.582 -7.543 1.00 0.00 C ATOM 961 CD2 LEU A 63 1.207 -4.616 -7.322 1.00 0.00 C ATOM 0 H LEU A 63 1.089 -0.657 -5.692 1.00 0.00 H new ATOM 0 HA LEU A 63 2.851 -2.515 -6.823 1.00 0.00 H new ATOM 0 HB2 LEU A 63 0.235 -1.292 -7.689 1.00 0.00 H new ATOM 0 HB3 LEU A 63 1.152 -2.310 -8.782 1.00 0.00 H new ATOM 0 HG LEU A 63 0.329 -3.187 -5.998 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.508 -4.474 -7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.709 -2.718 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.120 -3.711 -8.625 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.739 -5.478 -6.846 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.290 -4.794 -8.394 1.00 0.00 H new ATOM 0 HD23 LEU A 63 2.201 -4.465 -6.902 1.00 0.00 H new ATOM 973 N GLN A 64 2.742 0.566 -8.076 1.00 0.00 N ATOM 974 CA GLN A 64 3.361 1.596 -8.882 1.00 0.00 C ATOM 975 C GLN A 64 4.804 1.798 -8.480 1.00 0.00 C ATOM 976 O GLN A 64 5.669 2.056 -9.316 1.00 0.00 O ATOM 977 CB GLN A 64 2.567 2.919 -8.784 1.00 0.00 C ATOM 978 CG GLN A 64 2.954 3.991 -9.819 1.00 0.00 C ATOM 979 CD GLN A 64 2.086 5.247 -9.652 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.169 5.483 -10.448 1.00 0.00 O ATOM 981 NE2 GLN A 64 2.388 6.058 -8.592 1.00 0.00 N ATOM 0 H GLN A 64 1.996 0.943 -7.491 1.00 0.00 H new ATOM 0 HA GLN A 64 3.345 1.270 -9.922 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.506 2.697 -8.894 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.704 3.334 -7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 64 4.006 4.252 -9.703 1.00 0.00 H new ATOM 0 HG3 GLN A 64 2.834 3.591 -10.826 1.00 0.00 H new ATOM 0 HE21 GLN A 64 3.156 5.815 -7.966 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.845 6.906 -8.428 1.00 0.00 H new ATOM 990 N ALA A 65 5.067 1.612 -7.160 1.00 0.00 N ATOM 991 CA ALA A 65 6.348 1.731 -6.491 1.00 0.00 C ATOM 992 C ALA A 65 7.291 0.643 -6.938 1.00 0.00 C ATOM 993 O ALA A 65 8.487 0.871 -7.112 1.00 0.00 O ATOM 994 CB ALA A 65 6.243 1.777 -4.957 1.00 0.00 C ATOM 0 H ALA A 65 4.325 1.358 -6.508 1.00 0.00 H new ATOM 0 HA ALA A 65 6.755 2.697 -6.790 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.240 1.866 -4.527 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.641 2.635 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.773 0.862 -4.597 1.00 0.00 H new ATOM 1000 N GLY A 66 6.720 -0.567 -7.141 1.00 0.00 N ATOM 1001 CA GLY A 66 7.401 -1.726 -7.670 1.00 0.00 C ATOM 1002 C GLY A 66 7.293 -2.902 -6.753 1.00 0.00 C ATOM 1003 O GLY A 66 8.109 -3.819 -6.853 1.00 0.00 O ATOM 0 H GLY A 66 5.739 -0.748 -6.927 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.979 -1.983 -8.642 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.452 -1.487 -7.832 1.00 0.00 H new ATOM 1007 N MET A 67 6.261 -2.937 -5.856 1.00 0.00 N ATOM 1008 CA MET A 67 6.052 -4.004 -4.876 1.00 0.00 C ATOM 1009 C MET A 67 5.669 -5.278 -5.580 1.00 0.00 C ATOM 1010 O MET A 67 4.994 -5.235 -6.610 1.00 0.00 O ATOM 1011 CB MET A 67 4.949 -3.732 -3.829 1.00 0.00 C ATOM 1012 CG MET A 67 5.351 -2.752 -2.709 1.00 0.00 C ATOM 1013 SD MET A 67 6.461 -3.504 -1.467 1.00 0.00 S ATOM 1014 CE MET A 67 5.285 -4.422 -0.433 1.00 0.00 C ATOM 0 H MET A 67 5.551 -2.206 -5.808 1.00 0.00 H new ATOM 0 HA MET A 67 7.003 -4.071 -4.347 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.071 -3.337 -4.340 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.655 -4.679 -3.376 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.843 -1.886 -3.151 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.452 -2.388 -2.212 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.750 -4.660 0.524 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.397 -3.813 -0.263 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.001 -5.345 -0.938 1.00 0.00 H new ATOM 1024 N ASN A 68 6.096 -6.442 -5.037 1.00 0.00 N ATOM 1025 CA ASN A 68 5.751 -7.696 -5.655 1.00 0.00 C ATOM 1026 C ASN A 68 6.089 -8.685 -4.598 1.00 0.00 C ATOM 1027 O ASN A 68 7.192 -8.681 -4.066 1.00 0.00 O ATOM 1028 CB ASN A 68 6.516 -8.022 -6.978 1.00 0.00 C ATOM 1029 CG ASN A 68 5.686 -8.811 -8.017 1.00 0.00 C ATOM 1030 OD1 ASN A 68 4.877 -9.802 -7.537 1.00 0.00 O flip ATOM 1031 ND2 ASN A 68 5.782 -8.536 -9.219 1.00 0.00 N flip ATOM 0 H ASN A 68 6.665 -6.516 -4.193 1.00 0.00 H new ATOM 0 HA ASN A 68 4.709 -7.693 -5.975 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.849 -7.088 -7.431 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.411 -8.595 -6.735 1.00 0.00 H new ATOM 0 HD21 ASN A 68 6.402 -7.785 -9.522 1.00 0.00 H new ATOM 0 HD22 ASN A 68 5.241 -9.060 -9.907 1.00 0.00 H new ATOM 1038 N LEU A 69 5.130 -9.586 -4.296 1.00 0.00 N ATOM 1039 CA LEU A 69 5.169 -10.586 -3.246 1.00 0.00 C ATOM 1040 C LEU A 69 5.747 -11.878 -3.806 1.00 0.00 C ATOM 1041 O LEU A 69 5.499 -12.989 -3.343 1.00 0.00 O ATOM 1042 CB LEU A 69 3.757 -10.616 -2.594 1.00 0.00 C ATOM 1043 CG LEU A 69 3.229 -11.848 -1.822 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.008 -12.133 -0.530 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.727 -11.668 -1.532 1.00 0.00 C ATOM 0 H LEU A 69 4.257 -9.624 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 69 5.849 -10.367 -2.422 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.713 -9.773 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.040 -10.415 -3.390 1.00 0.00 H new ATOM 0 HG LEU A 69 3.381 -12.720 -2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.587 -13.009 -0.037 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.055 -12.320 -0.770 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.936 -11.273 0.136 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.355 -12.536 -0.988 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.577 -10.771 -0.930 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.184 -11.569 -2.472 1.00 0.00 H new ATOM 1057 N GLU A 70 6.603 -11.686 -4.831 1.00 0.00 N ATOM 1058 CA GLU A 70 7.407 -12.625 -5.553 1.00 0.00 C ATOM 1059 C GLU A 70 8.425 -11.694 -6.160 1.00 0.00 C ATOM 1060 O GLU A 70 8.475 -11.475 -7.371 1.00 0.00 O ATOM 1061 CB GLU A 70 6.701 -13.443 -6.659 1.00 0.00 C ATOM 1062 CG GLU A 70 5.545 -14.345 -6.172 1.00 0.00 C ATOM 1063 CD GLU A 70 4.988 -15.185 -7.327 1.00 0.00 C ATOM 1064 OE1 GLU A 70 4.488 -14.581 -8.314 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.053 -16.439 -7.234 1.00 0.00 O ATOM 0 H GLU A 70 6.745 -10.744 -5.197 1.00 0.00 H new ATOM 0 HA GLU A 70 7.772 -13.418 -4.900 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.312 -12.752 -7.407 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.443 -14.067 -7.157 1.00 0.00 H new ATOM 0 HG2 GLU A 70 5.899 -15.001 -5.377 1.00 0.00 H new ATOM 0 HG3 GLU A 70 4.751 -13.730 -5.748 1.00 0.00 H new ATOM 1072 N ALA A 71 9.248 -11.101 -5.269 1.00 0.00 N ATOM 1073 CA ALA A 71 10.273 -10.128 -5.574 1.00 0.00 C ATOM 1074 C ALA A 71 11.510 -10.554 -4.839 1.00 0.00 C ATOM 1075 O ALA A 71 11.489 -11.501 -4.053 1.00 0.00 O ATOM 1076 CB ALA A 71 9.905 -8.713 -5.087 1.00 0.00 C ATOM 0 H ALA A 71 9.198 -11.311 -4.272 1.00 0.00 H new ATOM 0 HA ALA A 71 10.404 -10.087 -6.655 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.708 -8.021 -5.341 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.982 -8.391 -5.569 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.765 -8.725 -4.006 1.00 0.00 H new ATOM 1082 N ARG A 72 12.626 -9.824 -5.091 1.00 0.00 N ATOM 1083 CA ARG A 72 13.918 -10.034 -4.480 1.00 0.00 C ATOM 1084 C ARG A 72 14.145 -8.791 -3.600 1.00 0.00 C ATOM 1085 O ARG A 72 14.249 -7.667 -4.161 1.00 0.00 O ATOM 1086 CB ARG A 72 15.080 -10.180 -5.496 1.00 0.00 C ATOM 1087 CG ARG A 72 15.065 -11.473 -6.343 1.00 0.00 C ATOM 1088 CD ARG A 72 13.995 -11.521 -7.455 1.00 0.00 C ATOM 1089 NE ARG A 72 14.082 -12.817 -8.223 1.00 0.00 N ATOM 1090 CZ ARG A 72 15.066 -13.086 -9.141 1.00 0.00 C ATOM 1091 NH1 ARG A 72 15.755 -12.092 -9.773 1.00 0.00 N ATOM 1092 NH2 ARG A 72 15.337 -14.389 -9.452 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.197 -8.955 -2.351 1.00 0.00 O ATOM 0 H ARG A 72 12.627 -9.049 -5.754 1.00 0.00 H new ATOM 0 HA ARG A 72 13.915 -10.973 -3.926 1.00 0.00 H new ATOM 0 HB2 ARG A 72 15.059 -9.324 -6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.023 -10.134 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.046 -11.600 -6.800 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.912 -12.322 -5.677 1.00 0.00 H new ATOM 0 HD2 ARG A 72 13.002 -11.418 -7.016 1.00 0.00 H new ATOM 0 HD3 ARG A 72 14.132 -10.680 -8.135 1.00 0.00 H new ATOM 0 HE ARG A 72 13.373 -13.530 -8.051 1.00 0.00 H new ATOM 0 HH11 ARG A 72 15.544 -11.115 -9.568 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.481 -12.326 -10.450 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.812 -15.140 -9.004 1.00 0.00 H new ATOM 0 HH22 ARG A 72 16.065 -14.610 -10.132 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.778 2.495 4.325 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.841 6.484 -3.385 1.00 0.00 ZN