USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=12 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 34 HIS :FLIP no HD1:sc= -0.407 F(o=-0.47,f=0.12) USER MOD Set 1.2: A 36 TYR OH : rot -80:sc= 0.523 USER MOD Set 2.1: A 14 TYR OH : rot 180:sc=-0.00424 USER MOD Set 2.2: A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.3: A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LEU N :NH3+ -130:sc= 0 (180deg=-0.496) 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= 0.0425 USER MOD Single : A 13 HIS : no HD1:sc= -0.236 X(o=-0.24,f=-0.24) USER MOD Single : A 18 THR OG1 : rot -69:sc= 0.0591 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0.177 X(o=0.18,f=-0.0015) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0019) 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= -0.306 K(o=-0.31,f=-1.1!) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 CYS SG : rot 99:sc= 0.28 USER MOD Single : A 64 GLN : amide:sc=-0.00121 X(o=-0.0012,f=-0.0012) USER MOD Single : A 67 MET CE :methyl -175:sc= -0.446 (180deg=-0.457) USER MOD Single : A 68 ASN : amide:sc= -0.292 X(o=-0.29,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.943 5.350 3.984 1.00 0.00 N ATOM 2 CA LEU A 1 10.624 5.897 3.669 1.00 0.00 C ATOM 3 C LEU A 1 9.831 4.943 2.827 1.00 0.00 C ATOM 4 O LEU A 1 10.297 4.467 1.794 1.00 0.00 O ATOM 5 CB LEU A 1 10.744 7.234 2.887 1.00 0.00 C ATOM 6 CG LEU A 1 11.162 8.463 3.731 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.649 9.613 2.829 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.034 8.935 4.667 1.00 0.00 C ATOM 0 H1 LEU A 1 12.115 5.425 5.007 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.982 4.351 3.699 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.672 5.885 3.471 1.00 0.00 H new ATOM 0 HA LEU A 1 10.120 6.065 4.621 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.470 7.102 2.085 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.784 7.447 2.417 1.00 0.00 H new ATOM 0 HG LEU A 1 11.992 8.149 4.363 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.936 10.464 3.447 1.00 0.00 H new ATOM 0 HD12 LEU A 1 12.509 9.280 2.247 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.847 9.910 2.153 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.373 9.799 5.239 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.162 9.212 4.075 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.768 8.129 5.351 1.00 0.00 H new ATOM 22 N CYS A 2 8.545 4.727 3.238 1.00 0.00 N ATOM 23 CA CYS A 2 7.473 3.964 2.635 1.00 0.00 C ATOM 24 C CYS A 2 7.213 4.708 1.369 1.00 0.00 C ATOM 25 O CYS A 2 7.108 5.930 1.402 1.00 0.00 O ATOM 26 CB CYS A 2 6.214 3.880 3.550 1.00 0.00 C ATOM 27 SG CYS A 2 4.814 2.964 2.815 1.00 0.00 S ATOM 0 H CYS A 2 8.225 5.148 4.110 1.00 0.00 H new ATOM 0 HA CYS A 2 7.733 2.919 2.469 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.493 3.403 4.490 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.886 4.891 3.791 1.00 0.00 H new ATOM 32 N LEU A 3 7.132 3.998 0.226 1.00 0.00 N ATOM 33 CA LEU A 3 7.004 4.654 -1.049 1.00 0.00 C ATOM 34 C LEU A 3 5.600 4.572 -1.559 1.00 0.00 C ATOM 35 O LEU A 3 5.318 4.722 -2.749 1.00 0.00 O ATOM 36 CB LEU A 3 7.936 4.009 -2.076 1.00 0.00 C ATOM 37 CG LEU A 3 9.429 4.273 -1.787 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.337 3.369 -2.637 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.813 5.756 -1.951 1.00 0.00 C ATOM 0 H LEU A 3 7.155 2.979 0.180 1.00 0.00 H new ATOM 0 HA LEU A 3 7.274 5.700 -0.907 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.760 2.933 -2.093 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.691 4.388 -3.068 1.00 0.00 H new ATOM 0 HG LEU A 3 9.587 4.021 -0.738 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.381 3.582 -2.407 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.122 2.324 -2.413 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.152 3.559 -3.694 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.874 5.883 -1.735 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.610 6.073 -2.974 1.00 0.00 H new ATOM 0 HD23 LEU A 3 9.227 6.362 -1.260 1.00 0.00 H new ATOM 51 N VAL A 4 4.693 4.330 -0.610 1.00 0.00 N ATOM 52 CA VAL A 4 3.290 4.149 -0.818 1.00 0.00 C ATOM 53 C VAL A 4 2.558 5.216 -0.089 1.00 0.00 C ATOM 54 O VAL A 4 1.955 6.078 -0.719 1.00 0.00 O ATOM 55 CB VAL A 4 2.806 2.747 -0.368 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.340 2.471 -0.737 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.778 1.658 -0.843 1.00 0.00 C ATOM 0 H VAL A 4 4.953 4.254 0.374 1.00 0.00 H new ATOM 0 HA VAL A 4 3.087 4.218 -1.887 1.00 0.00 H new ATOM 0 HB VAL A 4 2.817 2.727 0.722 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.060 1.474 -0.396 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.699 3.212 -0.259 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.220 2.531 -1.819 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.419 0.682 -0.516 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.841 1.676 -1.931 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.765 1.842 -0.420 1.00 0.00 H new ATOM 67 N CYS A 5 2.564 5.145 1.261 1.00 0.00 N ATOM 68 CA CYS A 5 1.823 6.061 2.097 1.00 0.00 C ATOM 69 C CYS A 5 2.783 7.039 2.713 1.00 0.00 C ATOM 70 O CYS A 5 2.449 7.711 3.685 1.00 0.00 O ATOM 71 CB CYS A 5 0.891 5.377 3.146 1.00 0.00 C ATOM 72 SG CYS A 5 1.666 4.411 4.510 1.00 0.00 S ATOM 0 H CYS A 5 3.089 4.443 1.783 1.00 0.00 H new ATOM 0 HA CYS A 5 1.119 6.595 1.459 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.274 6.154 3.598 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.219 4.710 2.607 1.00 0.00 H new ATOM 77 N SER A 6 3.992 7.155 2.103 1.00 0.00 N ATOM 78 CA SER A 6 5.003 8.185 2.343 1.00 0.00 C ATOM 79 C SER A 6 5.251 8.557 3.787 1.00 0.00 C ATOM 80 O SER A 6 5.115 9.706 4.206 1.00 0.00 O ATOM 81 CB SER A 6 4.776 9.414 1.440 1.00 0.00 C ATOM 82 OG SER A 6 4.198 9.059 0.187 1.00 0.00 O ATOM 0 H SER A 6 4.291 6.487 1.392 1.00 0.00 H new ATOM 0 HA SER A 6 5.942 7.712 2.057 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.125 10.123 1.951 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.727 9.919 1.270 1.00 0.00 H new ATOM 0 HG SER A 6 4.069 9.866 -0.354 1.00 0.00 H new ATOM 88 N ASP A 7 5.597 7.511 4.561 1.00 0.00 N ATOM 89 CA ASP A 7 5.767 7.537 5.995 1.00 0.00 C ATOM 90 C ASP A 7 7.108 6.889 6.187 1.00 0.00 C ATOM 91 O ASP A 7 7.617 6.304 5.245 1.00 0.00 O ATOM 92 CB ASP A 7 4.621 6.668 6.593 1.00 0.00 C ATOM 93 CG ASP A 7 4.491 6.610 8.125 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.993 7.534 8.821 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.862 5.634 8.613 1.00 0.00 O ATOM 0 H ASP A 7 5.770 6.586 4.167 1.00 0.00 H new ATOM 0 HA ASP A 7 5.728 8.520 6.464 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.677 7.035 6.190 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.748 5.649 6.229 1.00 0.00 H new ATOM 100 N GLU A 8 7.714 6.924 7.404 1.00 0.00 N ATOM 101 CA GLU A 8 8.998 6.298 7.695 1.00 0.00 C ATOM 102 C GLU A 8 8.903 4.789 7.610 1.00 0.00 C ATOM 103 O GLU A 8 8.137 4.173 8.351 1.00 0.00 O ATOM 104 CB GLU A 8 9.688 6.775 9.000 1.00 0.00 C ATOM 105 CG GLU A 8 9.374 8.227 9.442 1.00 0.00 C ATOM 106 CD GLU A 8 9.903 9.265 8.441 1.00 0.00 C ATOM 107 OE1 GLU A 8 11.144 9.306 8.220 1.00 0.00 O ATOM 108 OE2 GLU A 8 9.069 10.028 7.884 1.00 0.00 O ATOM 0 H GLU A 8 7.305 7.398 8.209 1.00 0.00 H new ATOM 0 HA GLU A 8 9.668 6.647 6.909 1.00 0.00 H new ATOM 0 HB2 GLU A 8 9.401 6.100 9.807 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.766 6.680 8.873 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.296 8.347 9.551 1.00 0.00 H new ATOM 0 HG3 GLU A 8 9.816 8.411 10.421 1.00 0.00 H new ATOM 115 N ALA A 9 9.678 4.173 6.672 1.00 0.00 N ATOM 116 CA ALA A 9 9.651 2.748 6.406 1.00 0.00 C ATOM 117 C ALA A 9 10.492 1.994 7.395 1.00 0.00 C ATOM 118 O ALA A 9 11.404 2.543 8.012 1.00 0.00 O ATOM 119 CB ALA A 9 10.093 2.364 4.978 1.00 0.00 C ATOM 0 H ALA A 9 10.340 4.680 6.084 1.00 0.00 H new ATOM 0 HA ALA A 9 8.603 2.467 6.507 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.044 1.281 4.861 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.431 2.838 4.253 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.116 2.701 4.811 1.00 0.00 H new ATOM 125 N SER A 10 10.167 0.684 7.539 1.00 0.00 N ATOM 126 CA SER A 10 10.803 -0.243 8.448 1.00 0.00 C ATOM 127 C SER A 10 11.645 -1.215 7.650 1.00 0.00 C ATOM 128 O SER A 10 11.896 -2.338 8.088 1.00 0.00 O ATOM 129 CB SER A 10 9.757 -1.019 9.279 1.00 0.00 C ATOM 130 OG SER A 10 8.927 -0.120 10.001 1.00 0.00 O ATOM 0 H SER A 10 9.423 0.249 6.994 1.00 0.00 H new ATOM 0 HA SER A 10 11.430 0.320 9.139 1.00 0.00 H new ATOM 0 HB2 SER A 10 9.147 -1.637 8.620 1.00 0.00 H new ATOM 0 HB3 SER A 10 10.262 -1.693 9.971 1.00 0.00 H new ATOM 0 HG SER A 10 8.269 -0.628 10.521 1.00 0.00 H new ATOM 136 N GLY A 11 12.103 -0.784 6.445 1.00 0.00 N ATOM 137 CA GLY A 11 12.919 -1.561 5.537 1.00 0.00 C ATOM 138 C GLY A 11 12.039 -2.040 4.426 1.00 0.00 C ATOM 139 O GLY A 11 10.818 -1.913 4.495 1.00 0.00 O ATOM 0 H GLY A 11 11.895 0.148 6.088 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.735 -0.955 5.143 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.371 -2.405 6.057 1.00 0.00 H new ATOM 143 N CYS A 12 12.650 -2.628 3.364 1.00 0.00 N ATOM 144 CA CYS A 12 11.945 -3.144 2.202 1.00 0.00 C ATOM 145 C CYS A 12 11.419 -4.521 2.519 1.00 0.00 C ATOM 146 O CYS A 12 12.042 -5.274 3.267 1.00 0.00 O ATOM 147 CB CYS A 12 12.798 -3.141 0.902 1.00 0.00 C ATOM 148 SG CYS A 12 14.438 -3.945 1.058 1.00 0.00 S ATOM 0 H CYS A 12 13.661 -2.750 3.308 1.00 0.00 H new ATOM 0 HA CYS A 12 11.115 -2.469 1.992 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.236 -3.643 0.114 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.944 -2.109 0.582 1.00 0.00 H new ATOM 0 HG CYS A 12 15.060 -3.887 -0.082 1.00 0.00 H new ATOM 154 N HIS A 13 10.225 -4.850 1.971 1.00 0.00 N ATOM 155 CA HIS A 13 9.580 -6.112 2.231 1.00 0.00 C ATOM 156 C HIS A 13 8.789 -6.345 0.998 1.00 0.00 C ATOM 157 O HIS A 13 7.925 -5.536 0.666 1.00 0.00 O ATOM 158 CB HIS A 13 8.607 -6.110 3.436 1.00 0.00 C ATOM 159 CG HIS A 13 9.276 -5.889 4.768 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.389 -4.614 5.300 1.00 0.00 N ATOM 161 CD2 HIS A 13 9.839 -6.804 5.603 1.00 0.00 C ATOM 162 CE1 HIS A 13 10.024 -4.786 6.444 1.00 0.00 C ATOM 163 NE2 HIS A 13 10.319 -6.090 6.678 1.00 0.00 N ATOM 0 H HIS A 13 9.704 -4.237 1.344 1.00 0.00 H new ATOM 0 HA HIS A 13 10.328 -6.866 2.476 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.859 -5.332 3.284 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.076 -7.062 3.462 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.897 -7.872 5.453 1.00 0.00 H new ATOM 0 HE1 HIS A 13 10.280 -3.981 7.117 1.00 0.00 H new ATOM 0 HE2 HIS A 13 10.803 -6.468 7.493 1.00 0.00 H new ATOM 171 N TYR A 14 9.081 -7.468 0.286 1.00 0.00 N ATOM 172 CA TYR A 14 8.453 -7.885 -0.943 1.00 0.00 C ATOM 173 C TYR A 14 9.354 -7.298 -1.985 1.00 0.00 C ATOM 174 O TYR A 14 10.544 -7.615 -1.980 1.00 0.00 O ATOM 175 CB TYR A 14 6.898 -7.718 -1.039 1.00 0.00 C ATOM 176 CG TYR A 14 6.210 -8.445 0.125 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.681 -9.676 0.647 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.045 -7.922 0.704 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.111 -10.270 1.777 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.440 -8.540 1.801 1.00 0.00 C ATOM 181 CZ TYR A 14 5.000 -9.678 2.375 1.00 0.00 C ATOM 182 OH TYR A 14 4.426 -10.232 3.537 1.00 0.00 O ATOM 0 H TYR A 14 9.801 -8.122 0.592 1.00 0.00 H new ATOM 0 HA TYR A 14 8.391 -8.965 -1.074 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.637 -6.660 -1.020 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.541 -8.118 -1.988 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.506 -10.171 0.156 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.607 -7.024 0.294 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.528 -11.180 2.183 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.528 -8.130 2.208 1.00 0.00 H new ATOM 0 HH TYR A 14 3.660 -9.687 3.815 1.00 0.00 H new ATOM 192 N GLY A 15 8.854 -6.416 -2.870 1.00 0.00 N ATOM 193 CA GLY A 15 9.666 -5.838 -3.923 1.00 0.00 C ATOM 194 C GLY A 15 10.080 -4.412 -3.695 1.00 0.00 C ATOM 195 O GLY A 15 10.913 -3.917 -4.454 1.00 0.00 O ATOM 0 H GLY A 15 7.886 -6.096 -2.865 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.563 -6.446 -4.045 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.113 -5.895 -4.860 1.00 0.00 H new ATOM 199 N VAL A 16 9.539 -3.704 -2.661 1.00 0.00 N ATOM 200 CA VAL A 16 9.737 -2.266 -2.553 1.00 0.00 C ATOM 201 C VAL A 16 9.937 -1.901 -1.112 1.00 0.00 C ATOM 202 O VAL A 16 9.514 -2.613 -0.204 1.00 0.00 O ATOM 203 CB VAL A 16 8.512 -1.476 -3.117 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.662 0.041 -3.276 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.028 -2.024 -4.466 1.00 0.00 C ATOM 0 H VAL A 16 8.977 -4.115 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 16 10.616 -1.999 -3.140 1.00 0.00 H new ATOM 0 HB VAL A 16 7.787 -1.639 -2.320 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.738 0.458 -3.676 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.872 0.490 -2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.483 0.256 -3.960 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.176 -1.439 -4.812 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.834 -1.957 -5.196 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.729 -3.066 -4.350 1.00 0.00 H new ATOM 215 N LEU A 17 10.506 -0.681 -0.924 1.00 0.00 N ATOM 216 CA LEU A 17 10.764 0.021 0.318 1.00 0.00 C ATOM 217 C LEU A 17 9.416 0.516 0.800 1.00 0.00 C ATOM 218 O LEU A 17 8.880 1.481 0.258 1.00 0.00 O ATOM 219 CB LEU A 17 11.775 1.178 0.133 1.00 0.00 C ATOM 220 CG LEU A 17 12.251 1.895 1.421 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.992 0.955 2.387 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.100 3.135 1.083 1.00 0.00 C ATOM 0 H LEU A 17 10.817 -0.131 -1.725 1.00 0.00 H new ATOM 0 HA LEU A 17 11.227 -0.638 1.053 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.652 0.785 -0.382 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.325 1.922 -0.525 1.00 0.00 H new ATOM 0 HG LEU A 17 11.354 2.227 1.944 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.302 1.512 3.271 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.329 0.142 2.684 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.871 0.543 1.891 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.421 3.619 2.006 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.976 2.831 0.509 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.505 3.834 0.495 1.00 0.00 H new ATOM 234 N THR A 18 8.836 -0.172 1.805 1.00 0.00 N ATOM 235 CA THR A 18 7.504 0.092 2.310 1.00 0.00 C ATOM 236 C THR A 18 7.609 0.164 3.790 1.00 0.00 C ATOM 237 O THR A 18 8.646 -0.149 4.366 1.00 0.00 O ATOM 238 CB THR A 18 6.509 -1.079 1.986 1.00 0.00 C ATOM 239 OG1 THR A 18 7.166 -2.346 1.985 1.00 0.00 O ATOM 240 CG2 THR A 18 5.775 -0.887 0.662 1.00 0.00 C ATOM 0 H THR A 18 9.304 -0.939 2.287 1.00 0.00 H new ATOM 0 HA THR A 18 7.133 1.008 1.850 1.00 0.00 H new ATOM 0 HB THR A 18 5.769 -1.059 2.786 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.772 -2.399 1.217 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.102 -1.728 0.494 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.199 0.037 0.696 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.499 -0.833 -0.151 1.00 0.00 H new ATOM 248 N CYS A 19 6.480 0.547 4.447 1.00 0.00 N ATOM 249 CA CYS A 19 6.421 0.669 5.893 1.00 0.00 C ATOM 250 C CYS A 19 6.200 -0.707 6.495 1.00 0.00 C ATOM 251 O CYS A 19 6.339 -1.730 5.823 1.00 0.00 O ATOM 252 CB CYS A 19 5.478 1.762 6.495 1.00 0.00 C ATOM 253 SG CYS A 19 3.681 1.658 6.166 1.00 0.00 S ATOM 0 H CYS A 19 5.604 0.773 3.976 1.00 0.00 H new ATOM 0 HA CYS A 19 7.392 1.069 6.187 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.616 1.757 7.576 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.824 2.731 6.134 1.00 0.00 H new ATOM 258 N GLY A 20 5.838 -0.750 7.799 1.00 0.00 N ATOM 259 CA GLY A 20 5.575 -1.972 8.528 1.00 0.00 C ATOM 260 C GLY A 20 4.215 -2.490 8.160 1.00 0.00 C ATOM 261 O GLY A 20 4.040 -3.684 7.935 1.00 0.00 O ATOM 0 H GLY A 20 5.724 0.090 8.367 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.335 -2.718 8.296 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.628 -1.787 9.601 1.00 0.00 H new ATOM 265 N SER A 21 3.240 -1.558 8.026 1.00 0.00 N ATOM 266 CA SER A 21 1.847 -1.821 7.733 1.00 0.00 C ATOM 267 C SER A 21 1.581 -2.188 6.287 1.00 0.00 C ATOM 268 O SER A 21 0.758 -3.067 6.058 1.00 0.00 O ATOM 269 CB SER A 21 0.951 -0.632 8.147 1.00 0.00 C ATOM 270 OG SER A 21 -0.427 -0.983 8.234 1.00 0.00 O ATOM 0 H SER A 21 3.433 -0.562 8.128 1.00 0.00 H new ATOM 0 HA SER A 21 1.592 -2.696 8.330 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.285 -0.250 9.111 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.071 0.176 7.425 1.00 0.00 H new ATOM 0 HG SER A 21 -0.949 -0.197 8.500 1.00 0.00 H new ATOM 276 N CYS A 22 2.264 -1.541 5.285 1.00 0.00 N ATOM 277 CA CYS A 22 2.039 -1.718 3.843 1.00 0.00 C ATOM 278 C CYS A 22 2.424 -3.088 3.368 1.00 0.00 C ATOM 279 O CYS A 22 1.903 -3.585 2.372 1.00 0.00 O ATOM 280 CB CYS A 22 2.624 -0.639 2.908 1.00 0.00 C ATOM 281 SG CYS A 22 1.672 0.911 3.051 1.00 0.00 S ATOM 0 H CYS A 22 3.003 -0.867 5.485 1.00 0.00 H new ATOM 0 HA CYS A 22 0.959 -1.590 3.763 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.668 -0.456 3.162 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.603 -0.992 1.877 1.00 0.00 H new ATOM 286 N LYS A 23 3.300 -3.741 4.160 1.00 0.00 N ATOM 287 CA LYS A 23 3.781 -5.089 4.032 1.00 0.00 C ATOM 288 C LYS A 23 2.626 -6.043 4.262 1.00 0.00 C ATOM 289 O LYS A 23 2.179 -6.753 3.370 1.00 0.00 O ATOM 290 CB LYS A 23 4.957 -5.318 5.009 1.00 0.00 C ATOM 291 CG LYS A 23 5.668 -6.682 4.973 1.00 0.00 C ATOM 292 CD LYS A 23 5.014 -7.791 5.817 1.00 0.00 C ATOM 293 CE LYS A 23 5.971 -8.963 6.091 1.00 0.00 C ATOM 294 NZ LYS A 23 5.299 -10.035 6.820 1.00 0.00 N ATOM 0 H LYS A 23 3.711 -3.277 4.970 1.00 0.00 H new ATOM 0 HA LYS A 23 4.167 -5.273 3.029 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.704 -4.547 4.820 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.586 -5.161 6.022 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.718 -7.019 3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.694 -6.547 5.314 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.678 -7.371 6.765 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.129 -8.162 5.301 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.358 -9.348 5.147 1.00 0.00 H new ATOM 0 HE3 LYS A 23 6.827 -8.610 6.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 5.969 -10.812 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 4.952 -9.671 7.730 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 4.497 -10.387 6.259 1.00 0.00 H new ATOM 308 N VAL A 24 2.079 -5.999 5.493 1.00 0.00 N ATOM 309 CA VAL A 24 0.992 -6.816 6.024 1.00 0.00 C ATOM 310 C VAL A 24 -0.310 -6.624 5.290 1.00 0.00 C ATOM 311 O VAL A 24 -1.070 -7.569 5.090 1.00 0.00 O ATOM 312 CB VAL A 24 0.774 -6.535 7.544 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.227 -7.488 8.223 1.00 0.00 C ATOM 314 CG2 VAL A 24 2.100 -6.514 8.331 1.00 0.00 C ATOM 0 H VAL A 24 2.419 -5.336 6.189 1.00 0.00 H new ATOM 0 HA VAL A 24 1.301 -7.851 5.877 1.00 0.00 H new ATOM 0 HB VAL A 24 0.331 -5.539 7.572 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.322 -7.226 9.277 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.199 -7.400 7.738 1.00 0.00 H new ATOM 0 HG13 VAL A 24 0.130 -8.514 8.135 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.896 -6.315 9.383 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.596 -7.480 8.234 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.747 -5.732 7.933 1.00 0.00 H new ATOM 324 N PHE A 25 -0.543 -5.370 4.857 1.00 0.00 N ATOM 325 CA PHE A 25 -1.651 -4.843 4.095 1.00 0.00 C ATOM 326 C PHE A 25 -1.757 -5.564 2.783 1.00 0.00 C ATOM 327 O PHE A 25 -2.797 -6.118 2.446 1.00 0.00 O ATOM 328 CB PHE A 25 -1.368 -3.345 3.835 1.00 0.00 C ATOM 329 CG PHE A 25 -2.345 -2.614 2.956 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.710 -2.487 3.266 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.859 -2.074 1.754 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.573 -1.834 2.376 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.719 -1.442 0.863 1.00 0.00 C ATOM 334 CZ PHE A 25 -4.079 -1.326 1.167 1.00 0.00 C ATOM 0 H PHE A 25 0.128 -4.631 5.066 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.585 -4.974 4.642 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.329 -2.835 4.797 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.378 -3.259 3.388 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.094 -2.893 4.190 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.807 -2.150 1.520 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.619 -1.722 2.622 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -2.337 -1.041 -0.064 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.749 -0.845 0.470 1.00 0.00 H new ATOM 344 N PHE A 26 -0.611 -5.561 2.067 1.00 0.00 N ATOM 345 CA PHE A 26 -0.360 -6.121 0.763 1.00 0.00 C ATOM 346 C PHE A 26 -0.526 -7.613 0.734 1.00 0.00 C ATOM 347 O PHE A 26 -1.197 -8.144 -0.138 1.00 0.00 O ATOM 348 CB PHE A 26 1.037 -5.684 0.254 1.00 0.00 C ATOM 349 CG PHE A 26 1.426 -6.230 -1.095 1.00 0.00 C ATOM 350 CD1 PHE A 26 1.001 -5.624 -2.287 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.238 -7.373 -1.166 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.437 -6.110 -3.524 1.00 0.00 C ATOM 353 CE2 PHE A 26 2.670 -7.861 -2.398 1.00 0.00 C ATOM 354 CZ PHE A 26 2.276 -7.230 -3.578 1.00 0.00 C ATOM 0 H PHE A 26 0.228 -5.119 2.442 1.00 0.00 H new ATOM 0 HA PHE A 26 -1.114 -5.726 0.082 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.066 -4.595 0.210 1.00 0.00 H new ATOM 0 HB3 PHE A 26 1.785 -5.994 0.983 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.333 -4.776 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 26 2.531 -7.879 -0.258 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.127 -5.622 -4.436 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.311 -8.729 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.617 -7.605 -4.532 1.00 0.00 H new ATOM 364 N LYS A 27 0.058 -8.327 1.715 1.00 0.00 N ATOM 365 CA LYS A 27 0.033 -9.787 1.792 1.00 0.00 C ATOM 366 C LYS A 27 -1.368 -10.299 2.094 1.00 0.00 C ATOM 367 O LYS A 27 -1.718 -11.412 1.711 1.00 0.00 O ATOM 368 CB LYS A 27 1.168 -10.439 2.636 1.00 0.00 C ATOM 369 CG LYS A 27 1.077 -11.982 2.767 1.00 0.00 C ATOM 370 CD LYS A 27 2.327 -12.693 3.316 1.00 0.00 C ATOM 371 CE LYS A 27 3.402 -12.967 2.249 1.00 0.00 C ATOM 372 NZ LYS A 27 4.602 -13.556 2.840 1.00 0.00 N ATOM 0 H LYS A 27 0.567 -7.892 2.485 1.00 0.00 H new ATOM 0 HA LYS A 27 0.287 -10.141 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.128 -10.183 2.188 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.156 -10.002 3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.234 -12.222 3.415 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.851 -12.396 1.784 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.762 -12.084 4.109 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.027 -13.638 3.768 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.001 -13.639 1.490 1.00 0.00 H new ATOM 0 HE3 LYS A 27 3.662 -12.036 1.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.307 -13.729 2.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 4.997 -12.903 3.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 4.357 -14.456 3.300 1.00 0.00 H new ATOM 386 N ARG A 28 -2.220 -9.465 2.746 1.00 0.00 N ATOM 387 CA ARG A 28 -3.601 -9.799 3.038 1.00 0.00 C ATOM 388 C ARG A 28 -4.474 -9.459 1.851 1.00 0.00 C ATOM 389 O ARG A 28 -5.413 -10.182 1.527 1.00 0.00 O ATOM 390 CB ARG A 28 -4.119 -9.106 4.325 1.00 0.00 C ATOM 391 CG ARG A 28 -4.818 -10.074 5.300 1.00 0.00 C ATOM 392 CD ARG A 28 -3.849 -11.028 6.031 1.00 0.00 C ATOM 393 NE ARG A 28 -3.269 -10.335 7.241 1.00 0.00 N ATOM 394 CZ ARG A 28 -2.571 -11.017 8.206 1.00 0.00 C ATOM 395 NH1 ARG A 28 -2.669 -12.372 8.351 1.00 0.00 N ATOM 396 NH2 ARG A 28 -1.771 -10.318 9.065 1.00 0.00 N ATOM 0 H ARG A 28 -1.946 -8.540 3.078 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.649 -10.872 3.224 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.282 -8.630 4.835 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.815 -8.315 4.048 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.370 -9.494 6.040 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.549 -10.666 4.749 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.375 -11.933 6.335 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.049 -11.335 5.358 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.400 -9.329 7.344 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.275 -12.909 7.731 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -2.136 -12.847 9.079 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.699 -9.304 8.984 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -1.246 -10.810 9.788 1.00 0.00 H new ATOM 410 N ALA A 29 -4.117 -8.356 1.156 1.00 0.00 N ATOM 411 CA ALA A 29 -4.788 -7.763 0.014 1.00 0.00 C ATOM 412 C ALA A 29 -4.677 -8.588 -1.245 1.00 0.00 C ATOM 413 O ALA A 29 -5.582 -8.586 -2.079 1.00 0.00 O ATOM 414 CB ALA A 29 -4.233 -6.360 -0.292 1.00 0.00 C ATOM 0 H ALA A 29 -3.283 -7.827 1.413 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.838 -7.712 0.302 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.755 -5.942 -1.152 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.382 -5.713 0.573 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -3.168 -6.430 -0.513 1.00 0.00 H new ATOM 420 N VAL A 30 -3.532 -9.300 -1.396 1.00 0.00 N ATOM 421 CA VAL A 30 -3.156 -10.079 -2.555 1.00 0.00 C ATOM 422 C VAL A 30 -3.660 -11.484 -2.399 1.00 0.00 C ATOM 423 O VAL A 30 -4.543 -11.917 -3.139 1.00 0.00 O ATOM 424 CB VAL A 30 -1.617 -10.041 -2.820 1.00 0.00 C ATOM 425 CG1 VAL A 30 -1.179 -10.940 -3.993 1.00 0.00 C ATOM 426 CG2 VAL A 30 -1.083 -8.611 -3.051 1.00 0.00 C ATOM 0 H VAL A 30 -2.824 -9.334 -0.663 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.621 -9.633 -3.434 1.00 0.00 H new ATOM 0 HB VAL A 30 -1.178 -10.435 -1.904 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -0.099 -10.867 -4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.450 -11.974 -3.780 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -1.678 -10.615 -4.906 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -0.008 -8.648 -3.230 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -1.580 -8.172 -3.916 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -1.283 -8.001 -2.170 1.00 0.00 H new ATOM 436 N GLU A 31 -3.081 -12.221 -1.423 1.00 0.00 N ATOM 437 CA GLU A 31 -3.389 -13.614 -1.144 1.00 0.00 C ATOM 438 C GLU A 31 -4.433 -13.695 -0.058 1.00 0.00 C ATOM 439 O GLU A 31 -4.273 -14.352 0.970 1.00 0.00 O ATOM 440 CB GLU A 31 -2.157 -14.516 -0.887 1.00 0.00 C ATOM 441 CG GLU A 31 -1.184 -13.997 0.185 1.00 0.00 C ATOM 442 CD GLU A 31 -0.005 -14.956 0.366 1.00 0.00 C ATOM 443 OE1 GLU A 31 -0.219 -16.058 0.938 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.125 -14.598 -0.064 1.00 0.00 O ATOM 0 H GLU A 31 -2.370 -11.839 -0.800 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.805 -14.038 -2.058 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.505 -15.506 -0.591 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.612 -14.636 -1.823 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.815 -13.012 -0.100 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -1.710 -13.879 1.132 1.00 0.00 H new ATOM 451 N GLY A 32 -5.563 -13.016 -0.337 1.00 0.00 N ATOM 452 CA GLY A 32 -6.734 -12.986 0.496 1.00 0.00 C ATOM 453 C GLY A 32 -7.802 -12.372 -0.350 1.00 0.00 C ATOM 454 O GLY A 32 -7.849 -12.595 -1.559 1.00 0.00 O ATOM 0 H GLY A 32 -5.667 -12.459 -1.185 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.014 -13.989 0.817 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.560 -12.399 1.398 1.00 0.00 H new ATOM 458 N GLN A 33 -8.698 -11.577 0.282 1.00 0.00 N ATOM 459 CA GLN A 33 -9.799 -10.924 -0.384 1.00 0.00 C ATOM 460 C GLN A 33 -10.099 -9.694 0.420 1.00 0.00 C ATOM 461 O GLN A 33 -10.293 -9.759 1.633 1.00 0.00 O ATOM 462 CB GLN A 33 -11.064 -11.814 -0.585 1.00 0.00 C ATOM 463 CG GLN A 33 -11.923 -12.224 0.645 1.00 0.00 C ATOM 464 CD GLN A 33 -11.186 -13.144 1.634 1.00 0.00 C ATOM 465 OE1 GLN A 33 -11.120 -14.362 1.431 1.00 0.00 O ATOM 466 NE2 GLN A 33 -10.626 -12.529 2.721 1.00 0.00 N ATOM 0 H GLN A 33 -8.657 -11.383 1.282 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.507 -10.685 -1.407 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.721 -11.293 -1.281 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -10.741 -12.732 -1.077 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -12.244 -11.324 1.169 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -12.824 -12.728 0.296 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.713 -11.519 2.836 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -10.122 -13.080 3.416 1.00 0.00 H new ATOM 475 N HIS A 34 -10.123 -8.523 -0.254 1.00 0.00 N ATOM 476 CA HIS A 34 -10.403 -7.248 0.363 1.00 0.00 C ATOM 477 C HIS A 34 -11.297 -6.530 -0.605 1.00 0.00 C ATOM 478 O HIS A 34 -11.573 -7.031 -1.695 1.00 0.00 O ATOM 479 CB HIS A 34 -9.150 -6.408 0.668 1.00 0.00 C ATOM 480 CG HIS A 34 -8.452 -6.917 1.890 1.00 0.00 C ATOM 481 ND1 HIS A 34 -7.784 -8.086 2.012 1.00 0.00 N flip ATOM 482 CD2 HIS A 34 -8.517 -6.266 3.111 1.00 0.00 C flip ATOM 483 CE1 HIS A 34 -7.408 -8.179 3.328 1.00 0.00 C flip ATOM 484 NE2 HIS A 34 -7.869 -7.060 3.943 1.00 0.00 N flip ATOM 0 H HIS A 34 -9.943 -8.457 -1.256 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.863 -7.406 1.339 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -8.470 -6.439 -0.184 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -9.432 -5.365 0.813 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -8.991 -5.321 3.332 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.854 -8.985 3.785 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -7.731 -6.856 4.933 1.00 0.00 H new ATOM 492 N ASN A 35 -11.777 -5.325 -0.213 1.00 0.00 N ATOM 493 CA ASN A 35 -12.644 -4.521 -1.035 1.00 0.00 C ATOM 494 C ASN A 35 -12.284 -3.092 -0.728 1.00 0.00 C ATOM 495 O ASN A 35 -12.600 -2.565 0.339 1.00 0.00 O ATOM 496 CB ASN A 35 -14.154 -4.808 -0.773 1.00 0.00 C ATOM 497 CG ASN A 35 -15.079 -4.214 -1.857 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.062 -4.667 -3.008 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.889 -3.185 -1.464 1.00 0.00 N ATOM 0 H ASN A 35 -11.559 -4.903 0.690 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.502 -4.753 -2.091 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.310 -5.886 -0.721 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -14.433 -4.399 0.198 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.522 -2.750 -2.135 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.860 -2.853 -0.500 1.00 0.00 H new ATOM 506 N TYR A 36 -11.612 -2.443 -1.708 1.00 0.00 N ATOM 507 CA TYR A 36 -11.229 -1.055 -1.697 1.00 0.00 C ATOM 508 C TYR A 36 -11.724 -0.540 -3.025 1.00 0.00 C ATOM 509 O TYR A 36 -11.452 -1.147 -4.062 1.00 0.00 O ATOM 510 CB TYR A 36 -9.716 -0.781 -1.503 1.00 0.00 C ATOM 511 CG TYR A 36 -8.941 -1.829 -0.731 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.115 -1.946 0.660 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.942 -2.608 -1.350 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.304 -2.801 1.416 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.130 -3.464 -0.597 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.301 -3.552 0.789 1.00 0.00 C ATOM 517 OH TYR A 36 -6.457 -4.392 1.546 1.00 0.00 O ATOM 0 H TYR A 36 -11.318 -2.919 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.661 -0.550 -0.833 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.259 -0.672 -2.486 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -9.604 0.175 -0.991 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.884 -1.369 1.151 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.802 -2.543 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.452 -2.882 2.483 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.371 -4.057 -1.086 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.748 -3.856 1.960 1.00 0.00 H new ATOM 527 N LEU A 37 -12.475 0.595 -3.015 1.00 0.00 N ATOM 528 CA LEU A 37 -13.116 1.158 -4.190 1.00 0.00 C ATOM 529 C LEU A 37 -12.448 2.441 -4.590 1.00 0.00 C ATOM 530 O LEU A 37 -12.642 3.489 -3.972 1.00 0.00 O ATOM 531 CB LEU A 37 -14.618 1.410 -3.926 1.00 0.00 C ATOM 532 CG LEU A 37 -15.546 1.630 -5.152 1.00 0.00 C ATOM 533 CD1 LEU A 37 -17.021 1.430 -4.751 1.00 0.00 C ATOM 534 CD2 LEU A 37 -15.366 2.988 -5.861 1.00 0.00 C ATOM 0 H LEU A 37 -12.642 1.137 -2.167 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.019 0.439 -5.004 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -15.005 0.561 -3.362 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.702 2.286 -3.282 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.246 0.877 -5.881 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.659 1.588 -5.621 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -17.162 0.416 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.286 2.145 -3.972 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.054 3.053 -6.704 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -15.575 3.795 -5.159 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.341 3.077 -6.222 1.00 0.00 H new ATOM 546 N CYS A 38 -11.665 2.350 -5.688 1.00 0.00 N ATOM 547 CA CYS A 38 -10.975 3.441 -6.352 1.00 0.00 C ATOM 548 C CYS A 38 -10.290 2.795 -7.524 1.00 0.00 C ATOM 549 O CYS A 38 -9.128 3.044 -7.847 1.00 0.00 O ATOM 550 CB CYS A 38 -9.959 4.177 -5.447 1.00 0.00 C ATOM 551 SG CYS A 38 -9.818 5.968 -5.707 1.00 0.00 S ATOM 0 H CYS A 38 -11.498 1.455 -6.149 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.679 4.221 -6.643 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -10.234 4.001 -4.407 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -8.977 3.729 -5.597 1.00 0.00 H new ATOM 556 N ALA A 39 -11.075 1.924 -8.183 1.00 0.00 N ATOM 557 CA ALA A 39 -10.710 1.083 -9.291 1.00 0.00 C ATOM 558 C ALA A 39 -11.113 1.694 -10.601 1.00 0.00 C ATOM 559 O ALA A 39 -10.650 1.265 -11.658 1.00 0.00 O ATOM 560 CB ALA A 39 -11.389 -0.290 -9.180 1.00 0.00 C ATOM 0 H ALA A 39 -12.052 1.795 -7.919 1.00 0.00 H new ATOM 0 HA ALA A 39 -9.626 0.973 -9.257 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.098 -0.909 -10.029 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.080 -0.775 -8.254 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -12.471 -0.162 -9.178 1.00 0.00 H new ATOM 566 N GLY A 40 -11.993 2.715 -10.540 1.00 0.00 N ATOM 567 CA GLY A 40 -12.521 3.412 -11.690 1.00 0.00 C ATOM 568 C GLY A 40 -12.363 4.889 -11.511 1.00 0.00 C ATOM 569 O GLY A 40 -12.975 5.664 -12.246 1.00 0.00 O ATOM 0 H GLY A 40 -12.355 3.073 -9.656 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.001 3.089 -12.592 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.574 3.164 -11.824 1.00 0.00 H new ATOM 573 N ARG A 41 -11.515 5.320 -10.539 1.00 0.00 N ATOM 574 CA ARG A 41 -11.243 6.701 -10.262 1.00 0.00 C ATOM 575 C ARG A 41 -9.754 6.792 -10.388 1.00 0.00 C ATOM 576 O ARG A 41 -9.224 7.065 -11.464 1.00 0.00 O ATOM 577 CB ARG A 41 -11.722 7.157 -8.866 1.00 0.00 C ATOM 578 CG ARG A 41 -13.245 7.118 -8.658 1.00 0.00 C ATOM 579 CD ARG A 41 -13.613 7.363 -7.184 1.00 0.00 C ATOM 580 NE ARG A 41 -15.091 7.150 -6.996 1.00 0.00 N ATOM 581 CZ ARG A 41 -15.655 7.084 -5.748 1.00 0.00 C ATOM 582 NH1 ARG A 41 -14.927 6.757 -4.639 1.00 0.00 N ATOM 583 NH2 ARG A 41 -16.990 7.343 -5.613 1.00 0.00 N ATOM 0 H ARG A 41 -11.005 4.680 -9.930 1.00 0.00 H new ATOM 0 HA ARG A 41 -11.781 7.361 -10.943 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.251 6.526 -8.113 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.372 8.175 -8.693 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.719 7.874 -9.284 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.633 6.151 -8.976 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.052 6.686 -6.540 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -13.341 8.378 -6.893 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.688 7.052 -7.817 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -13.931 6.553 -4.725 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -15.379 6.717 -3.726 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -17.549 7.580 -6.433 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.428 7.299 -4.693 1.00 0.00 H new ATOM 597 N ASN A 42 -9.063 6.559 -9.243 1.00 0.00 N ATOM 598 CA ASN A 42 -7.636 6.603 -8.998 1.00 0.00 C ATOM 599 C ASN A 42 -7.263 8.074 -9.084 1.00 0.00 C ATOM 600 O ASN A 42 -6.530 8.504 -9.974 1.00 0.00 O ATOM 601 CB ASN A 42 -6.794 5.632 -9.886 1.00 0.00 C ATOM 602 CG ASN A 42 -5.295 5.593 -9.515 1.00 0.00 C ATOM 603 OD1 ASN A 42 -4.940 5.184 -8.403 1.00 0.00 O ATOM 604 ND2 ASN A 42 -4.420 6.032 -10.471 1.00 0.00 N ATOM 0 H ASN A 42 -9.565 6.311 -8.390 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.387 6.211 -8.012 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.206 4.627 -9.801 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -6.893 5.930 -10.930 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -3.417 6.033 -10.283 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -4.770 6.359 -11.372 1.00 0.00 H new ATOM 611 N ASP A 43 -7.843 8.868 -8.151 1.00 0.00 N ATOM 612 CA ASP A 43 -7.650 10.301 -8.059 1.00 0.00 C ATOM 613 C ASP A 43 -6.797 10.673 -6.889 1.00 0.00 C ATOM 614 O ASP A 43 -5.761 11.312 -7.073 1.00 0.00 O ATOM 615 CB ASP A 43 -8.966 11.140 -7.927 1.00 0.00 C ATOM 616 CG ASP A 43 -10.242 10.423 -7.441 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.210 9.753 -6.378 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.284 10.576 -8.135 1.00 0.00 O ATOM 0 H ASP A 43 -8.469 8.503 -7.434 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.174 10.543 -9.009 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.767 11.966 -7.244 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.181 11.578 -8.902 1.00 0.00 H new ATOM 623 N CYS A 44 -7.232 10.308 -5.656 1.00 0.00 N ATOM 624 CA CYS A 44 -6.647 10.681 -4.399 1.00 0.00 C ATOM 625 C CYS A 44 -5.184 10.305 -4.249 1.00 0.00 C ATOM 626 O CYS A 44 -4.732 9.286 -4.764 1.00 0.00 O ATOM 627 CB CYS A 44 -7.444 10.121 -3.164 1.00 0.00 C ATOM 628 SG CYS A 44 -8.780 8.913 -3.502 1.00 0.00 S ATOM 0 H CYS A 44 -8.050 9.711 -5.536 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.710 11.769 -4.410 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.730 9.653 -2.486 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.881 10.967 -2.633 1.00 0.00 H new ATOM 633 N ILE A 45 -4.414 11.153 -3.515 1.00 0.00 N ATOM 634 CA ILE A 45 -3.015 10.928 -3.185 1.00 0.00 C ATOM 635 C ILE A 45 -3.104 10.167 -1.894 1.00 0.00 C ATOM 636 O ILE A 45 -4.010 10.404 -1.097 1.00 0.00 O ATOM 637 CB ILE A 45 -2.182 12.236 -2.996 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.128 13.069 -4.302 1.00 0.00 C ATOM 639 CG2 ILE A 45 -0.761 12.026 -2.405 1.00 0.00 C ATOM 640 CD1 ILE A 45 -1.381 12.403 -5.470 1.00 0.00 C ATOM 0 H ILE A 45 -4.776 12.028 -3.136 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.494 10.410 -3.990 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.724 12.802 -2.238 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.148 13.285 -4.619 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.653 14.026 -4.085 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.260 12.989 -2.311 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.841 11.561 -1.422 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.184 11.380 -3.066 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.398 13.063 -6.337 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.348 12.212 -5.180 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.867 11.460 -5.722 1.00 0.00 H new ATOM 652 N ILE A 46 -2.164 9.221 -1.689 1.00 0.00 N ATOM 653 CA ILE A 46 -2.117 8.386 -0.522 1.00 0.00 C ATOM 654 C ILE A 46 -0.832 8.717 0.148 1.00 0.00 C ATOM 655 O ILE A 46 0.250 8.634 -0.433 1.00 0.00 O ATOM 656 CB ILE A 46 -2.336 6.879 -0.867 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.719 6.390 -0.388 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.264 5.861 -0.432 1.00 0.00 C ATOM 659 CD1 ILE A 46 -4.894 7.275 -0.788 1.00 0.00 C ATOM 0 H ILE A 46 -1.415 9.031 -2.354 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.937 8.577 0.170 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.255 6.895 -1.954 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.889 5.388 -0.782 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.701 6.307 0.699 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.564 4.861 -0.745 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.311 6.116 -0.895 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.158 5.885 0.653 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.820 6.846 -0.404 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.756 8.273 -0.371 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -4.947 7.340 -1.875 1.00 0.00 H new ATOM 671 N ASP A 47 -0.975 9.113 1.426 1.00 0.00 N ATOM 672 CA ASP A 47 0.116 9.427 2.289 1.00 0.00 C ATOM 673 C ASP A 47 -0.401 9.062 3.660 1.00 0.00 C ATOM 674 O ASP A 47 -1.449 8.432 3.777 1.00 0.00 O ATOM 675 CB ASP A 47 0.742 10.839 2.113 1.00 0.00 C ATOM 676 CG ASP A 47 -0.208 12.011 2.395 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.124 12.245 1.564 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.023 12.684 3.444 1.00 0.00 O ATOM 0 H ASP A 47 -1.886 9.218 1.873 1.00 0.00 H new ATOM 0 HA ASP A 47 1.014 8.858 2.047 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.604 10.923 2.775 1.00 0.00 H new ATOM 0 HB3 ASP A 47 1.114 10.930 1.092 1.00 0.00 H new ATOM 683 N LYS A 48 0.322 9.472 4.730 1.00 0.00 N ATOM 684 CA LYS A 48 0.086 9.165 6.134 1.00 0.00 C ATOM 685 C LYS A 48 -1.194 9.760 6.705 1.00 0.00 C ATOM 686 O LYS A 48 -1.606 9.440 7.817 1.00 0.00 O ATOM 687 CB LYS A 48 1.320 9.620 6.956 1.00 0.00 C ATOM 688 CG LYS A 48 1.673 8.833 8.239 1.00 0.00 C ATOM 689 CD LYS A 48 0.818 9.132 9.484 1.00 0.00 C ATOM 690 CE LYS A 48 1.516 8.778 10.808 1.00 0.00 C ATOM 691 NZ LYS A 48 0.664 9.105 11.950 1.00 0.00 N ATOM 0 H LYS A 48 1.141 10.068 4.610 1.00 0.00 H new ATOM 0 HA LYS A 48 -0.055 8.087 6.205 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.188 9.590 6.298 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.168 10.662 7.236 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.595 7.768 8.019 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.716 9.032 8.485 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.559 10.191 9.491 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.117 8.575 9.415 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.759 7.716 10.823 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.458 9.322 10.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 1.156 8.857 12.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 0.453 10.123 11.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -0.224 8.567 11.886 1.00 0.00 H new ATOM 705 N ILE A 49 -1.860 10.645 5.933 1.00 0.00 N ATOM 706 CA ILE A 49 -3.060 11.352 6.311 1.00 0.00 C ATOM 707 C ILE A 49 -4.194 10.811 5.498 1.00 0.00 C ATOM 708 O ILE A 49 -5.258 10.478 6.019 1.00 0.00 O ATOM 709 CB ILE A 49 -2.883 12.886 6.077 1.00 0.00 C ATOM 710 CG1 ILE A 49 -1.847 13.500 7.052 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.195 13.704 6.049 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.245 13.452 8.536 1.00 0.00 C ATOM 0 H ILE A 49 -1.546 10.883 4.992 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.268 11.207 7.371 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.492 12.962 5.062 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -0.899 12.976 6.928 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.676 14.539 6.770 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.964 14.756 5.881 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.834 13.340 5.245 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.713 13.594 7.002 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.458 13.905 9.139 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.175 14.002 8.681 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.385 12.415 8.842 1.00 0.00 H new ATOM 724 N ARG A 50 -3.957 10.744 4.173 1.00 0.00 N ATOM 725 CA ARG A 50 -4.918 10.390 3.153 1.00 0.00 C ATOM 726 C ARG A 50 -5.155 8.906 3.028 1.00 0.00 C ATOM 727 O ARG A 50 -5.939 8.466 2.188 1.00 0.00 O ATOM 728 CB ARG A 50 -4.543 11.003 1.791 1.00 0.00 C ATOM 729 CG ARG A 50 -4.396 12.538 1.847 1.00 0.00 C ATOM 730 CD ARG A 50 -4.187 13.196 0.469 1.00 0.00 C ATOM 731 NE ARG A 50 -3.918 14.675 0.630 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.887 15.580 0.987 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.217 15.319 0.826 1.00 0.00 N ATOM 734 NH2 ARG A 50 -4.504 16.782 1.514 1.00 0.00 N ATOM 0 H ARG A 50 -3.037 10.949 3.783 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.864 10.820 3.483 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.606 10.565 1.446 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.306 10.742 1.058 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.287 12.962 2.310 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -3.553 12.789 2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -3.352 12.721 -0.045 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -5.070 13.045 -0.151 1.00 0.00 H new ATOM 0 HE ARG A 50 -2.971 15.017 0.466 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.518 14.429 0.430 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.910 16.014 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -3.514 16.993 1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.209 17.468 1.785 1.00 0.00 H new ATOM 748 N ARG A 51 -4.544 8.112 3.945 1.00 0.00 N ATOM 749 CA ARG A 51 -4.674 6.666 4.045 1.00 0.00 C ATOM 750 C ARG A 51 -6.066 6.283 4.524 1.00 0.00 C ATOM 751 O ARG A 51 -6.570 5.202 4.222 1.00 0.00 O ATOM 752 CB ARG A 51 -3.540 5.977 4.866 1.00 0.00 C ATOM 753 CG ARG A 51 -3.774 5.584 6.344 1.00 0.00 C ATOM 754 CD ARG A 51 -3.878 6.753 7.332 1.00 0.00 C ATOM 755 NE ARG A 51 -4.267 6.170 8.666 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.637 6.939 9.738 1.00 0.00 C ATOM 757 NH1 ARG A 51 -5.033 8.237 9.598 1.00 0.00 N ATOM 758 NH2 ARG A 51 -4.626 6.373 10.983 1.00 0.00 N ATOM 0 H ARG A 51 -3.924 8.496 4.658 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.545 6.274 3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.261 5.069 4.331 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.675 6.640 4.842 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.691 4.998 6.405 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.959 4.934 6.662 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.928 7.282 7.405 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.621 7.477 6.996 1.00 0.00 H new ATOM 0 HE ARG A 51 -4.254 5.156 8.776 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -5.060 8.665 8.672 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -5.302 8.780 10.419 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.346 5.399 11.098 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.897 6.925 11.797 1.00 0.00 H new ATOM 772 N LYS A 52 -6.694 7.213 5.296 1.00 0.00 N ATOM 773 CA LYS A 52 -7.990 7.112 5.920 1.00 0.00 C ATOM 774 C LYS A 52 -9.063 7.708 5.039 1.00 0.00 C ATOM 775 O LYS A 52 -10.249 7.598 5.346 1.00 0.00 O ATOM 776 CB LYS A 52 -7.997 7.804 7.308 1.00 0.00 C ATOM 777 CG LYS A 52 -8.247 6.876 8.516 1.00 0.00 C ATOM 778 CD LYS A 52 -9.713 6.441 8.724 1.00 0.00 C ATOM 779 CE LYS A 52 -10.148 5.214 7.907 1.00 0.00 C ATOM 780 NZ LYS A 52 -11.526 4.839 8.224 1.00 0.00 N ATOM 0 H LYS A 52 -6.252 8.110 5.497 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.204 6.053 6.061 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.039 8.304 7.449 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.763 8.579 7.304 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -7.634 5.982 8.399 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -7.904 7.382 9.419 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -9.866 6.227 9.782 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -10.364 7.277 8.470 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -10.062 5.431 6.842 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.482 4.377 8.117 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -11.798 4.008 7.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -11.600 4.610 9.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -12.161 5.632 8.001 1.00 0.00 H new ATOM 794 N ASN A 53 -8.663 8.344 3.907 1.00 0.00 N ATOM 795 CA ASN A 53 -9.545 8.922 2.916 1.00 0.00 C ATOM 796 C ASN A 53 -9.808 7.864 1.884 1.00 0.00 C ATOM 797 O ASN A 53 -10.866 7.866 1.256 1.00 0.00 O ATOM 798 CB ASN A 53 -8.978 10.178 2.188 1.00 0.00 C ATOM 799 CG ASN A 53 -9.000 11.403 3.123 1.00 0.00 C ATOM 800 OD1 ASN A 53 -9.938 11.581 3.908 1.00 0.00 O ATOM 801 ND2 ASN A 53 -7.951 12.271 3.010 1.00 0.00 N ATOM 0 H ASN A 53 -7.677 8.461 3.671 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.439 9.256 3.442 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -7.957 9.984 1.858 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -9.568 10.385 1.295 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -7.919 13.110 3.589 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.200 12.080 2.347 1.00 0.00 H new ATOM 808 N CYS A 54 -8.841 6.927 1.698 1.00 0.00 N ATOM 809 CA CYS A 54 -8.939 5.892 0.703 1.00 0.00 C ATOM 810 C CYS A 54 -7.867 4.860 1.045 1.00 0.00 C ATOM 811 O CYS A 54 -6.692 5.225 1.104 1.00 0.00 O ATOM 812 CB CYS A 54 -8.744 6.512 -0.706 1.00 0.00 C ATOM 813 SG CYS A 54 -8.750 5.409 -2.133 1.00 0.00 S ATOM 0 H CYS A 54 -7.982 6.891 2.247 1.00 0.00 H new ATOM 0 HA CYS A 54 -9.916 5.409 0.695 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.530 7.253 -0.855 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.795 7.049 -0.705 1.00 0.00 H new ATOM 818 N PRO A 55 -8.229 3.565 1.223 1.00 0.00 N ATOM 819 CA PRO A 55 -7.285 2.458 1.364 1.00 0.00 C ATOM 820 C PRO A 55 -7.142 1.697 0.051 1.00 0.00 C ATOM 821 O PRO A 55 -6.644 0.575 0.069 1.00 0.00 O ATOM 822 CB PRO A 55 -7.965 1.589 2.414 1.00 0.00 C ATOM 823 CG PRO A 55 -9.462 1.724 2.096 1.00 0.00 C ATOM 824 CD PRO A 55 -9.596 3.155 1.560 1.00 0.00 C ATOM 0 HA PRO A 55 -6.277 2.773 1.635 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.635 0.552 2.349 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -7.739 1.932 3.424 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.782 0.989 1.357 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -10.075 1.571 2.984 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.245 3.189 0.685 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.033 3.817 2.307 1.00 0.00 H new ATOM 832 N ALA A 56 -7.567 2.243 -1.117 1.00 0.00 N ATOM 833 CA ALA A 56 -7.629 1.570 -2.389 1.00 0.00 C ATOM 834 C ALA A 56 -6.443 1.972 -3.197 1.00 0.00 C ATOM 835 O ALA A 56 -5.772 1.120 -3.775 1.00 0.00 O ATOM 836 CB ALA A 56 -8.894 1.924 -3.168 1.00 0.00 C ATOM 0 H ALA A 56 -7.885 3.211 -1.173 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.641 0.496 -2.202 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -8.896 1.393 -4.120 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.771 1.634 -2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.919 2.998 -3.352 1.00 0.00 H new ATOM 842 N CYS A 57 -6.145 3.302 -3.209 1.00 0.00 N ATOM 843 CA CYS A 57 -5.003 3.935 -3.816 1.00 0.00 C ATOM 844 C CYS A 57 -3.698 3.422 -3.309 1.00 0.00 C ATOM 845 O CYS A 57 -2.766 3.306 -4.082 1.00 0.00 O ATOM 846 CB CYS A 57 -5.004 5.468 -3.674 1.00 0.00 C ATOM 847 SG CYS A 57 -6.190 6.337 -4.756 1.00 0.00 S ATOM 0 H CYS A 57 -6.756 3.981 -2.756 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.103 3.673 -4.869 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.226 5.723 -2.638 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.001 5.839 -3.886 1.00 0.00 H new ATOM 852 N ARG A 58 -3.639 3.041 -2.016 1.00 0.00 N ATOM 853 CA ARG A 58 -2.490 2.456 -1.354 1.00 0.00 C ATOM 854 C ARG A 58 -2.094 1.132 -1.939 1.00 0.00 C ATOM 855 O ARG A 58 -0.913 0.798 -1.985 1.00 0.00 O ATOM 856 CB ARG A 58 -2.659 2.163 0.154 1.00 0.00 C ATOM 857 CG ARG A 58 -3.404 3.243 0.945 1.00 0.00 C ATOM 858 CD ARG A 58 -3.282 3.173 2.483 1.00 0.00 C ATOM 859 NE ARG A 58 -3.223 1.749 2.988 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.295 1.458 4.326 1.00 0.00 C ATOM 861 NH1 ARG A 58 -3.950 2.268 5.209 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.699 0.319 4.790 1.00 0.00 N ATOM 0 H ARG A 58 -4.437 3.144 -1.389 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.744 3.237 -1.505 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.191 1.219 0.268 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.672 2.027 0.595 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.042 4.218 0.617 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.461 3.191 0.683 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.385 3.706 2.799 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.132 3.682 2.937 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.127 0.987 2.317 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.405 3.119 4.879 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.984 2.022 6.198 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.210 -0.300 4.144 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.743 0.088 5.783 1.00 0.00 H new ATOM 876 N TYR A 59 -3.105 0.343 -2.396 1.00 0.00 N ATOM 877 CA TYR A 59 -2.901 -0.981 -2.951 1.00 0.00 C ATOM 878 C TYR A 59 -2.431 -0.807 -4.382 1.00 0.00 C ATOM 879 O TYR A 59 -1.562 -1.537 -4.850 1.00 0.00 O ATOM 880 CB TYR A 59 -4.191 -1.836 -2.834 1.00 0.00 C ATOM 881 CG TYR A 59 -4.086 -3.289 -3.282 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.901 -4.052 -3.167 1.00 0.00 C ATOM 883 CD2 TYR A 59 -5.236 -3.924 -3.789 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.861 -5.388 -3.589 1.00 0.00 C ATOM 885 CE2 TYR A 59 -5.206 -5.266 -4.185 1.00 0.00 C ATOM 886 CZ TYR A 59 -4.013 -5.992 -4.107 1.00 0.00 C ATOM 887 OH TYR A 59 -3.978 -7.328 -4.558 1.00 0.00 O ATOM 0 H TYR A 59 -4.084 0.630 -2.380 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.141 -1.529 -2.393 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.516 -1.822 -1.794 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.974 -1.354 -3.419 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.015 -3.599 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.157 -3.366 -3.874 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.942 -5.951 -3.515 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -6.104 -5.741 -4.551 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.865 -7.586 -4.884 1.00 0.00 H new ATOM 897 N ARG A 60 -2.953 0.250 -5.060 1.00 0.00 N ATOM 898 CA ARG A 60 -2.635 0.640 -6.419 1.00 0.00 C ATOM 899 C ARG A 60 -1.231 1.185 -6.530 1.00 0.00 C ATOM 900 O ARG A 60 -0.512 0.885 -7.478 1.00 0.00 O ATOM 901 CB ARG A 60 -3.624 1.685 -6.997 1.00 0.00 C ATOM 902 CG ARG A 60 -5.098 1.224 -7.067 1.00 0.00 C ATOM 903 CD ARG A 60 -5.628 0.802 -8.459 1.00 0.00 C ATOM 904 NE ARG A 60 -5.149 -0.570 -8.879 1.00 0.00 N ATOM 905 CZ ARG A 60 -3.897 -0.829 -9.379 1.00 0.00 C ATOM 906 NH1 ARG A 60 -3.133 0.144 -9.955 1.00 0.00 N ATOM 907 NH2 ARG A 60 -3.416 -2.106 -9.319 1.00 0.00 N ATOM 0 H ARG A 60 -3.640 0.871 -4.632 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.722 -0.274 -7.006 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -3.570 2.588 -6.389 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.296 1.956 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -5.224 0.383 -6.385 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -5.726 2.033 -6.695 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -6.718 0.813 -8.446 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -5.311 1.535 -9.201 1.00 0.00 H new ATOM 0 HE ARG A 60 -5.797 -1.352 -8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.488 1.098 -10.024 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -2.207 -0.082 -10.317 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -3.985 -2.846 -8.908 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -2.488 -2.319 -9.685 1.00 0.00 H new ATOM 921 N LYS A 61 -0.830 1.988 -5.515 1.00 0.00 N ATOM 922 CA LYS A 61 0.389 2.746 -5.381 1.00 0.00 C ATOM 923 C LYS A 61 1.582 1.867 -5.179 1.00 0.00 C ATOM 924 O LYS A 61 2.583 2.001 -5.879 1.00 0.00 O ATOM 925 CB LYS A 61 0.202 3.763 -4.234 1.00 0.00 C ATOM 926 CG LYS A 61 1.349 4.734 -3.928 1.00 0.00 C ATOM 927 CD LYS A 61 1.372 5.978 -4.833 1.00 0.00 C ATOM 928 CE LYS A 61 2.538 6.927 -4.513 1.00 0.00 C ATOM 929 NZ LYS A 61 2.458 8.147 -5.313 1.00 0.00 N ATOM 0 H LYS A 61 -1.429 2.118 -4.700 1.00 0.00 H new ATOM 0 HA LYS A 61 0.589 3.283 -6.308 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.685 4.356 -4.457 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.010 3.202 -3.324 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.273 5.054 -2.889 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.297 4.205 -4.030 1.00 0.00 H new ATOM 0 HD2 LYS A 61 1.442 5.663 -5.874 1.00 0.00 H new ATOM 0 HD3 LYS A 61 0.431 6.517 -4.725 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.523 7.182 -3.453 1.00 0.00 H new ATOM 0 HE3 LYS A 61 3.485 6.423 -4.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 3.257 8.770 -5.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 2.496 7.903 -6.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 1.564 8.638 -5.109 1.00 0.00 H new ATOM 943 N CYS A 62 1.454 0.911 -4.232 1.00 0.00 N ATOM 944 CA CYS A 62 2.457 -0.065 -3.862 1.00 0.00 C ATOM 945 C CYS A 62 2.751 -1.020 -5.009 1.00 0.00 C ATOM 946 O CYS A 62 3.904 -1.363 -5.255 1.00 0.00 O ATOM 947 CB CYS A 62 2.147 -0.741 -2.496 1.00 0.00 C ATOM 948 SG CYS A 62 0.833 -2.005 -2.457 1.00 0.00 S ATOM 0 H CYS A 62 0.597 0.809 -3.688 1.00 0.00 H new ATOM 0 HA CYS A 62 3.397 0.457 -3.685 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.066 -1.201 -2.133 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.880 0.042 -1.787 1.00 0.00 H new ATOM 0 HG CYS A 62 1.368 -3.189 -2.503 1.00 0.00 H new ATOM 954 N LEU A 63 1.691 -1.386 -5.787 1.00 0.00 N ATOM 955 CA LEU A 63 1.733 -2.240 -6.962 1.00 0.00 C ATOM 956 C LEU A 63 2.458 -1.547 -8.092 1.00 0.00 C ATOM 957 O LEU A 63 3.272 -2.169 -8.775 1.00 0.00 O ATOM 958 CB LEU A 63 0.331 -2.690 -7.451 1.00 0.00 C ATOM 959 CG LEU A 63 -0.273 -3.881 -6.668 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.775 -4.054 -6.968 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.490 -5.192 -6.944 1.00 0.00 C ATOM 0 H LEU A 63 0.745 -1.064 -5.581 1.00 0.00 H new ATOM 0 HA LEU A 63 2.271 -3.139 -6.660 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.352 -1.843 -7.383 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.398 -2.961 -8.505 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.165 -3.648 -5.609 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.164 -4.899 -6.401 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.310 -3.148 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.915 -4.237 -8.033 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.036 -6.004 -6.376 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.443 -5.423 -8.008 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.531 -5.077 -6.643 1.00 0.00 H new ATOM 973 N GLN A 64 2.207 -0.214 -8.265 1.00 0.00 N ATOM 974 CA GLN A 64 2.804 0.647 -9.274 1.00 0.00 C ATOM 975 C GLN A 64 4.277 0.838 -9.023 1.00 0.00 C ATOM 976 O GLN A 64 5.068 0.963 -9.957 1.00 0.00 O ATOM 977 CB GLN A 64 2.096 2.018 -9.401 1.00 0.00 C ATOM 978 CG GLN A 64 0.756 1.959 -10.172 1.00 0.00 C ATOM 979 CD GLN A 64 0.990 1.912 -11.692 1.00 0.00 C ATOM 980 OE1 GLN A 64 1.285 2.944 -12.308 1.00 0.00 O ATOM 981 NE2 GLN A 64 0.860 0.690 -12.291 1.00 0.00 N ATOM 0 H GLN A 64 1.551 0.289 -7.667 1.00 0.00 H new ATOM 0 HA GLN A 64 2.669 0.133 -10.226 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.913 2.416 -8.403 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.764 2.716 -9.905 1.00 0.00 H new ATOM 0 HG2 GLN A 64 0.193 1.079 -9.861 1.00 0.00 H new ATOM 0 HG3 GLN A 64 0.151 2.830 -9.921 1.00 0.00 H new ATOM 0 HE21 GLN A 64 0.615 -0.128 -11.733 1.00 0.00 H new ATOM 0 HE22 GLN A 64 1.008 0.596 -13.296 1.00 0.00 H new ATOM 990 N ALA A 65 4.654 0.792 -7.720 1.00 0.00 N ATOM 991 CA ALA A 65 5.997 0.936 -7.196 1.00 0.00 C ATOM 992 C ALA A 65 6.860 -0.239 -7.578 1.00 0.00 C ATOM 993 O ALA A 65 8.044 -0.081 -7.874 1.00 0.00 O ATOM 994 CB ALA A 65 6.043 1.221 -5.689 1.00 0.00 C ATOM 0 H ALA A 65 3.971 0.643 -6.977 1.00 0.00 H new ATOM 0 HA ALA A 65 6.414 1.826 -7.667 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.080 1.316 -5.368 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.511 2.149 -5.478 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.570 0.401 -5.149 1.00 0.00 H new ATOM 1000 N GLY A 66 6.241 -1.441 -7.589 1.00 0.00 N ATOM 1001 CA GLY A 66 6.856 -2.668 -8.043 1.00 0.00 C ATOM 1002 C GLY A 66 6.801 -3.735 -7.002 1.00 0.00 C ATOM 1003 O GLY A 66 7.619 -4.655 -7.036 1.00 0.00 O ATOM 0 H GLY A 66 5.280 -1.567 -7.272 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.352 -3.015 -8.945 1.00 0.00 H new ATOM 0 HA3 GLY A 66 7.895 -2.476 -8.312 1.00 0.00 H new ATOM 1007 N MET A 67 5.807 -3.674 -6.068 1.00 0.00 N ATOM 1008 CA MET A 67 5.652 -4.633 -4.974 1.00 0.00 C ATOM 1009 C MET A 67 5.266 -5.991 -5.510 1.00 0.00 C ATOM 1010 O MET A 67 4.498 -6.079 -6.469 1.00 0.00 O ATOM 1011 CB MET A 67 4.574 -4.262 -3.932 1.00 0.00 C ATOM 1012 CG MET A 67 4.996 -3.165 -2.936 1.00 0.00 C ATOM 1013 SD MET A 67 6.126 -3.778 -1.640 1.00 0.00 S ATOM 1014 CE MET A 67 4.943 -4.609 -0.543 1.00 0.00 C ATOM 0 H MET A 67 5.094 -2.945 -6.069 1.00 0.00 H new ATOM 0 HA MET A 67 6.625 -4.629 -4.483 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.678 -3.932 -4.457 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.304 -5.158 -3.373 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.481 -2.355 -3.480 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.106 -2.746 -2.466 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.460 -4.963 0.349 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.160 -3.908 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.497 -5.456 -1.064 1.00 0.00 H new ATOM 1024 N ASN A 68 5.792 -7.078 -4.895 1.00 0.00 N ATOM 1025 CA ASN A 68 5.460 -8.413 -5.323 1.00 0.00 C ATOM 1026 C ASN A 68 5.999 -9.262 -4.226 1.00 0.00 C ATOM 1027 O ASN A 68 7.167 -9.157 -3.865 1.00 0.00 O ATOM 1028 CB ASN A 68 6.048 -8.841 -6.704 1.00 0.00 C ATOM 1029 CG ASN A 68 5.107 -9.742 -7.535 1.00 0.00 C ATOM 1030 OD1 ASN A 68 4.988 -9.551 -8.752 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.442 -10.728 -6.862 1.00 0.00 N ATOM 0 H ASN A 68 6.441 -7.033 -4.109 1.00 0.00 H new ATOM 0 HA ASN A 68 4.386 -8.504 -5.488 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.281 -7.946 -7.281 1.00 0.00 H new ATOM 0 HB3 ASN A 68 6.988 -9.368 -6.540 1.00 0.00 H new ATOM 0 HD21 ASN A 68 3.810 -11.351 -7.364 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.578 -10.841 -5.857 1.00 0.00 H new ATOM 1038 N LEU A 69 5.137 -10.132 -3.656 1.00 0.00 N ATOM 1039 CA LEU A 69 5.440 -10.985 -2.528 1.00 0.00 C ATOM 1040 C LEU A 69 6.135 -12.230 -3.010 1.00 0.00 C ATOM 1041 O LEU A 69 5.521 -13.236 -3.362 1.00 0.00 O ATOM 1042 CB LEU A 69 4.268 -11.235 -1.547 1.00 0.00 C ATOM 1043 CG LEU A 69 2.956 -11.908 -2.034 1.00 0.00 C ATOM 1044 CD1 LEU A 69 1.818 -11.570 -1.053 1.00 0.00 C ATOM 1045 CD2 LEU A 69 2.528 -11.600 -3.482 1.00 0.00 C ATOM 0 H LEU A 69 4.182 -10.250 -3.994 1.00 0.00 H new ATOM 0 HA LEU A 69 6.132 -10.438 -1.888 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.657 -11.844 -0.731 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.994 -10.269 -1.122 1.00 0.00 H new ATOM 0 HG LEU A 69 3.171 -12.976 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.895 -12.040 -1.391 1.00 0.00 H new ATOM 0 HD12 LEU A 69 2.072 -11.941 -0.060 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.681 -10.489 -1.013 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.600 -12.125 -3.707 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.374 -10.527 -3.596 1.00 0.00 H new ATOM 0 HD23 LEU A 69 3.307 -11.930 -4.170 1.00 0.00 H new ATOM 1057 N GLU A 70 7.483 -12.092 -3.035 1.00 0.00 N ATOM 1058 CA GLU A 70 8.534 -12.967 -3.505 1.00 0.00 C ATOM 1059 C GLU A 70 9.003 -12.252 -4.737 1.00 0.00 C ATOM 1060 O GLU A 70 8.622 -12.579 -5.860 1.00 0.00 O ATOM 1061 CB GLU A 70 8.263 -14.472 -3.751 1.00 0.00 C ATOM 1062 CG GLU A 70 7.881 -15.251 -2.472 1.00 0.00 C ATOM 1063 CD GLU A 70 7.626 -16.728 -2.788 1.00 0.00 C ATOM 1064 OE1 GLU A 70 8.593 -17.425 -3.199 1.00 0.00 O ATOM 1065 OE2 GLU A 70 6.462 -17.178 -2.617 1.00 0.00 O ATOM 0 H GLU A 70 7.893 -11.233 -2.668 1.00 0.00 H new ATOM 0 HA GLU A 70 9.257 -13.102 -2.701 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.460 -14.573 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU A 70 9.152 -14.925 -4.190 1.00 0.00 H new ATOM 0 HG2 GLU A 70 8.681 -15.165 -1.736 1.00 0.00 H new ATOM 0 HG3 GLU A 70 6.989 -14.811 -2.026 1.00 0.00 H new ATOM 1072 N ALA A 71 9.833 -11.211 -4.500 1.00 0.00 N ATOM 1073 CA ALA A 71 10.346 -10.302 -5.495 1.00 0.00 C ATOM 1074 C ALA A 71 11.847 -10.288 -5.368 1.00 0.00 C ATOM 1075 O ALA A 71 12.500 -11.301 -5.616 1.00 0.00 O ATOM 1076 CB ALA A 71 9.738 -8.896 -5.317 1.00 0.00 C ATOM 0 H ALA A 71 10.166 -10.990 -3.561 1.00 0.00 H new ATOM 0 HA ALA A 71 10.069 -10.629 -6.497 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.139 -8.227 -6.078 1.00 0.00 H new ATOM 0 HB2 ALA A 71 8.654 -8.953 -5.419 1.00 0.00 H new ATOM 0 HB3 ALA A 71 9.990 -8.513 -4.328 1.00 0.00 H new ATOM 1082 N ARG A 72 12.419 -9.121 -4.981 1.00 0.00 N ATOM 1083 CA ARG A 72 13.834 -8.870 -4.851 1.00 0.00 C ATOM 1084 C ARG A 72 14.146 -8.774 -3.347 1.00 0.00 C ATOM 1085 O ARG A 72 14.978 -9.589 -2.866 1.00 0.00 O ATOM 1086 CB ARG A 72 14.257 -7.564 -5.569 1.00 0.00 C ATOM 1087 CG ARG A 72 13.830 -7.485 -7.054 1.00 0.00 C ATOM 1088 CD ARG A 72 14.404 -8.586 -7.974 1.00 0.00 C ATOM 1089 NE ARG A 72 15.904 -8.455 -8.111 1.00 0.00 N ATOM 1090 CZ ARG A 72 16.498 -7.458 -8.846 1.00 0.00 C ATOM 1091 NH1 ARG A 72 15.831 -6.799 -9.838 1.00 0.00 N ATOM 1092 NH2 ARG A 72 17.797 -7.127 -8.583 1.00 0.00 N ATOM 1093 OXT ARG A 72 13.551 -7.897 -2.665 1.00 0.00 O ATOM 0 H ARG A 72 11.858 -8.303 -4.744 1.00 0.00 H new ATOM 0 HA ARG A 72 14.393 -9.680 -5.320 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.830 -6.715 -5.035 1.00 0.00 H new ATOM 0 HB3 ARG A 72 15.341 -7.465 -5.509 1.00 0.00 H new ATOM 0 HG2 ARG A 72 12.742 -7.527 -7.103 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.130 -6.514 -7.448 1.00 0.00 H new ATOM 0 HD2 ARG A 72 14.157 -9.567 -7.569 1.00 0.00 H new ATOM 0 HD3 ARG A 72 13.939 -8.521 -8.958 1.00 0.00 H new ATOM 0 HE ARG A 72 16.499 -9.135 -7.638 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.864 -7.043 -10.051 1.00 0.00 H new ATOM 0 HH12 ARG A 72 16.300 -6.063 -10.366 1.00 0.00 H new ATOM 0 HH21 ARG A 72 18.310 -7.618 -7.851 1.00 0.00 H new ATOM 0 HH22 ARG A 72 18.254 -6.389 -9.119 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.948 2.514 4.127 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.365 6.681 -4.045 1.00 0.00 ZN