USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=15 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 : no HD1:sc= -0.255 K(o=0.36,f=-0.32) USER MOD Set 1.2: A 36 TYR OH : rot 45:sc= 0.619 USER MOD Set 2.1: A 14 TYR OH : rot 167:sc= 0.0627 USER MOD Set 2.2: A 23 LYS NZ :NH3+ -162:sc= 0.512 (180deg=-0.134) USER MOD Set 3.1: A 13 HIS : no HE2:sc= -0.717 X(o=-0.64,f=-0.83) USER MOD Set 3.2: A 18 THR OG1 : rot -70:sc= 0.0775 USER MOD Single : A 1 LEU N :NH3+ 171:sc= -0.0437 (180deg=-0.134) 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 28:sc= 0.0484 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -146:sc= 0.0211 (180deg=-0.207) USER MOD Single : A 33 GLN : amide:sc= -0.295 X(o=-0.29,f=-0.045) 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=-0.46) USER MOD Single : A 48 LYS NZ :NH3+ -154:sc= -0.197 (180deg=-1.17) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.023) 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 109:sc= 0.314 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 67 MET CE :methyl -164:sc= -1.23 (180deg=-1.52) USER MOD Single : A 68 ASN : amide:sc= -0.143 X(o=-0.14,f=-0.6) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.724 5.617 4.218 1.00 0.00 N ATOM 2 CA LEU A 1 10.295 5.928 4.295 1.00 0.00 C ATOM 3 C LEU A 1 9.490 5.043 3.391 1.00 0.00 C ATOM 4 O LEU A 1 9.970 4.577 2.358 1.00 0.00 O ATOM 5 CB LEU A 1 10.029 7.440 4.044 1.00 0.00 C ATOM 6 CG LEU A 1 10.478 8.050 2.685 1.00 0.00 C ATOM 7 CD1 LEU A 1 9.432 7.888 1.565 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.868 9.533 2.843 1.00 0.00 C ATOM 0 H1 LEU A 1 12.265 6.340 4.734 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.900 4.684 4.643 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.024 5.605 3.222 1.00 0.00 H new ATOM 0 HA LEU A 1 9.962 5.717 5.311 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.958 7.611 4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 1 10.520 8.001 4.839 1.00 0.00 H new ATOM 0 HG LEU A 1 11.355 7.479 2.379 1.00 0.00 H new ATOM 0 HD11 LEU A 1 9.811 8.336 0.646 1.00 0.00 H new ATOM 0 HD12 LEU A 1 9.238 6.828 1.399 1.00 0.00 H new ATOM 0 HD13 LEU A 1 8.507 8.385 1.856 1.00 0.00 H new ATOM 0 HD21 LEU A 1 11.177 9.933 1.877 1.00 0.00 H new ATOM 0 HD22 LEU A 1 10.011 10.097 3.212 1.00 0.00 H new ATOM 0 HD23 LEU A 1 11.691 9.619 3.552 1.00 0.00 H new ATOM 22 N CYS A 2 8.191 4.835 3.767 1.00 0.00 N ATOM 23 CA CYS A 2 7.144 4.070 3.125 1.00 0.00 C ATOM 24 C CYS A 2 6.892 4.819 1.864 1.00 0.00 C ATOM 25 O CYS A 2 6.671 6.023 1.911 1.00 0.00 O ATOM 26 CB CYS A 2 5.863 3.919 4.003 1.00 0.00 C ATOM 27 SG CYS A 2 4.526 2.966 3.200 1.00 0.00 S ATOM 0 H CYS A 2 7.843 5.259 4.627 1.00 0.00 H new ATOM 0 HA CYS A 2 7.439 3.036 2.949 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.132 3.431 4.940 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.488 4.911 4.256 1.00 0.00 H new ATOM 32 N LEU A 3 6.940 4.124 0.710 1.00 0.00 N ATOM 33 CA LEU A 3 6.821 4.776 -0.565 1.00 0.00 C ATOM 34 C LEU A 3 5.433 4.654 -1.118 1.00 0.00 C ATOM 35 O LEU A 3 5.180 4.828 -2.310 1.00 0.00 O ATOM 36 CB LEU A 3 7.809 4.164 -1.564 1.00 0.00 C ATOM 37 CG LEU A 3 9.280 4.530 -1.266 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.264 3.620 -2.021 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.583 6.015 -1.548 1.00 0.00 C ATOM 0 H LEU A 3 7.061 3.113 0.658 1.00 0.00 H new ATOM 0 HA LEU A 3 7.045 5.832 -0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.702 3.079 -1.553 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.554 4.500 -2.569 1.00 0.00 H new ATOM 0 HG LEU A 3 9.423 4.364 -0.198 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.287 3.913 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.104 2.584 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.100 3.718 -3.094 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.629 6.222 -1.323 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.388 6.233 -2.598 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.947 6.641 -0.923 1.00 0.00 H new ATOM 51 N VAL A 4 4.502 4.354 -0.205 1.00 0.00 N ATOM 52 CA VAL A 4 3.110 4.153 -0.464 1.00 0.00 C ATOM 53 C VAL A 4 2.331 5.185 0.270 1.00 0.00 C ATOM 54 O VAL A 4 1.731 6.052 -0.355 1.00 0.00 O ATOM 55 CB VAL A 4 2.625 2.735 -0.072 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.192 2.456 -0.549 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.647 1.669 -0.491 1.00 0.00 C ATOM 0 H VAL A 4 4.734 4.244 0.782 1.00 0.00 H new ATOM 0 HA VAL A 4 2.952 4.246 -1.538 1.00 0.00 H new ATOM 0 HB VAL A 4 2.565 2.684 1.015 1.00 0.00 H new ATOM 0 HG11 VAL A 4 0.898 1.450 -0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.512 3.181 -0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.147 2.539 -1.635 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.282 0.683 -0.204 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.787 1.704 -1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.598 1.862 0.005 1.00 0.00 H new ATOM 67 N CYS A 5 2.287 5.080 1.616 1.00 0.00 N ATOM 68 CA CYS A 5 1.500 5.965 2.442 1.00 0.00 C ATOM 69 C CYS A 5 2.410 6.944 3.119 1.00 0.00 C ATOM 70 O CYS A 5 2.035 7.545 4.122 1.00 0.00 O ATOM 71 CB CYS A 5 0.531 5.254 3.438 1.00 0.00 C ATOM 72 SG CYS A 5 1.259 4.255 4.798 1.00 0.00 S ATOM 0 H CYS A 5 2.802 4.374 2.141 1.00 0.00 H new ATOM 0 HA CYS A 5 0.819 6.497 1.778 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.102 6.018 3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 5 -0.121 4.601 2.858 1.00 0.00 H new ATOM 77 N SER A 6 3.620 7.144 2.529 1.00 0.00 N ATOM 78 CA SER A 6 4.571 8.218 2.828 1.00 0.00 C ATOM 79 C SER A 6 4.789 8.533 4.291 1.00 0.00 C ATOM 80 O SER A 6 4.657 9.668 4.748 1.00 0.00 O ATOM 81 CB SER A 6 4.258 9.481 1.997 1.00 0.00 C ATOM 82 OG SER A 6 3.721 9.162 0.718 1.00 0.00 O ATOM 0 H SER A 6 3.963 6.522 1.797 1.00 0.00 H new ATOM 0 HA SER A 6 5.537 7.817 2.521 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.550 10.106 2.541 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.169 10.066 1.871 1.00 0.00 H new ATOM 0 HG SER A 6 3.536 9.989 0.226 1.00 0.00 H new ATOM 88 N ASP A 7 5.105 7.459 5.038 1.00 0.00 N ATOM 89 CA ASP A 7 5.215 7.445 6.480 1.00 0.00 C ATOM 90 C ASP A 7 6.581 6.876 6.728 1.00 0.00 C ATOM 91 O ASP A 7 7.151 6.283 5.825 1.00 0.00 O ATOM 92 CB ASP A 7 4.098 6.492 7.006 1.00 0.00 C ATOM 93 CG ASP A 7 3.906 6.389 8.530 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.366 7.296 9.273 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.270 5.391 8.962 1.00 0.00 O ATOM 0 H ASP A 7 5.295 6.548 4.621 1.00 0.00 H new ATOM 0 HA ASP A 7 5.098 8.413 6.968 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.152 6.811 6.569 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.304 5.492 6.625 1.00 0.00 H new ATOM 100 N GLU A 8 7.142 6.991 7.960 1.00 0.00 N ATOM 101 CA GLU A 8 8.447 6.455 8.326 1.00 0.00 C ATOM 102 C GLU A 8 8.427 4.937 8.288 1.00 0.00 C ATOM 103 O GLU A 8 7.692 4.302 9.044 1.00 0.00 O ATOM 104 CB GLU A 8 9.040 7.012 9.647 1.00 0.00 C ATOM 105 CG GLU A 8 8.550 8.421 10.070 1.00 0.00 C ATOM 106 CD GLU A 8 9.002 9.511 9.086 1.00 0.00 C ATOM 107 OE1 GLU A 8 10.238 9.703 8.933 1.00 0.00 O ATOM 108 OE2 GLU A 8 8.111 10.161 8.475 1.00 0.00 O ATOM 0 H GLU A 8 6.677 7.471 8.731 1.00 0.00 H new ATOM 0 HA GLU A 8 9.141 6.815 7.567 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.808 6.312 10.450 1.00 0.00 H new ATOM 0 HB3 GLU A 8 10.125 7.040 9.552 1.00 0.00 H new ATOM 0 HG2 GLU A 8 7.462 8.421 10.135 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.929 8.652 11.065 1.00 0.00 H new ATOM 115 N ALA A 9 9.227 4.342 7.365 1.00 0.00 N ATOM 116 CA ALA A 9 9.260 2.922 7.084 1.00 0.00 C ATOM 117 C ALA A 9 10.148 2.165 8.027 1.00 0.00 C ATOM 118 O ALA A 9 10.983 2.731 8.732 1.00 0.00 O ATOM 119 CB ALA A 9 9.711 2.612 5.640 1.00 0.00 C ATOM 0 H ALA A 9 9.880 4.874 6.789 1.00 0.00 H new ATOM 0 HA ALA A 9 8.230 2.593 7.219 1.00 0.00 H new ATOM 0 HB1 ALA A 9 9.717 1.533 5.485 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.021 3.076 4.936 1.00 0.00 H new ATOM 0 HB3 ALA A 9 10.714 3.008 5.479 1.00 0.00 H new ATOM 125 N SER A 10 9.951 0.822 8.013 1.00 0.00 N ATOM 126 CA SER A 10 10.666 -0.155 8.795 1.00 0.00 C ATOM 127 C SER A 10 11.790 -0.676 7.927 1.00 0.00 C ATOM 128 O SER A 10 12.921 -0.824 8.387 1.00 0.00 O ATOM 129 CB SER A 10 9.730 -1.301 9.251 1.00 0.00 C ATOM 130 OG SER A 10 10.357 -2.186 10.174 1.00 0.00 O ATOM 0 H SER A 10 9.245 0.393 7.415 1.00 0.00 H new ATOM 0 HA SER A 10 11.062 0.295 9.705 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.838 -0.875 9.710 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.401 -1.865 8.378 1.00 0.00 H new ATOM 0 HG SER A 10 9.726 -2.890 10.433 1.00 0.00 H new ATOM 136 N GLY A 11 11.479 -0.958 6.639 1.00 0.00 N ATOM 137 CA GLY A 11 12.437 -1.445 5.679 1.00 0.00 C ATOM 138 C GLY A 11 11.646 -1.969 4.527 1.00 0.00 C ATOM 139 O GLY A 11 10.433 -1.791 4.465 1.00 0.00 O ATOM 0 H GLY A 11 10.540 -0.845 6.256 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.107 -0.647 5.360 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.058 -2.229 6.113 1.00 0.00 H new ATOM 143 N CYS A 12 12.323 -2.653 3.568 1.00 0.00 N ATOM 144 CA CYS A 12 11.692 -3.271 2.412 1.00 0.00 C ATOM 145 C CYS A 12 11.302 -4.656 2.855 1.00 0.00 C ATOM 146 O CYS A 12 12.004 -5.245 3.679 1.00 0.00 O ATOM 147 CB CYS A 12 12.569 -3.278 1.129 1.00 0.00 C ATOM 148 SG CYS A 12 14.284 -3.876 1.375 1.00 0.00 S ATOM 0 H CYS A 12 13.334 -2.782 3.593 1.00 0.00 H new ATOM 0 HA CYS A 12 10.826 -2.685 2.103 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.085 -3.903 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.606 -2.266 0.725 1.00 0.00 H new ATOM 0 HG CYS A 12 14.315 -4.704 2.377 1.00 0.00 H new ATOM 154 N HIS A 13 10.161 -5.193 2.349 1.00 0.00 N ATOM 155 CA HIS A 13 9.672 -6.469 2.856 1.00 0.00 C ATOM 156 C HIS A 13 9.287 -7.381 1.743 1.00 0.00 C ATOM 157 O HIS A 13 9.349 -8.601 1.893 1.00 0.00 O ATOM 158 CB HIS A 13 8.472 -6.304 3.804 1.00 0.00 C ATOM 159 CG HIS A 13 8.794 -5.452 5.006 1.00 0.00 C ATOM 160 ND1 HIS A 13 8.398 -4.124 5.057 1.00 0.00 N ATOM 161 CD2 HIS A 13 9.482 -5.784 6.131 1.00 0.00 C ATOM 162 CE1 HIS A 13 8.854 -3.685 6.215 1.00 0.00 C ATOM 163 NE2 HIS A 13 9.520 -4.645 6.903 1.00 0.00 N ATOM 0 H HIS A 13 9.591 -4.768 1.617 1.00 0.00 H new ATOM 0 HA HIS A 13 10.498 -6.904 3.418 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.642 -5.856 3.258 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.140 -7.287 4.139 1.00 0.00 H new ATOM 0 HD1 HIS A 13 7.872 -3.603 4.356 1.00 0.00 H new ATOM 0 HD2 HIS A 13 9.911 -6.746 6.370 1.00 0.00 H new ATOM 0 HE1 HIS A 13 8.713 -2.676 6.574 1.00 0.00 H new ATOM 171 N TYR A 14 8.871 -6.800 0.599 1.00 0.00 N ATOM 172 CA TYR A 14 8.478 -7.514 -0.581 1.00 0.00 C ATOM 173 C TYR A 14 9.369 -6.844 -1.579 1.00 0.00 C ATOM 174 O TYR A 14 10.586 -7.021 -1.497 1.00 0.00 O ATOM 175 CB TYR A 14 6.933 -7.519 -0.800 1.00 0.00 C ATOM 176 CG TYR A 14 6.262 -8.410 0.255 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.704 -9.730 0.496 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.167 -7.971 1.014 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.187 -10.520 1.524 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.626 -8.762 2.036 1.00 0.00 C ATOM 181 CZ TYR A 14 5.147 -10.029 2.309 1.00 0.00 C ATOM 182 OH TYR A 14 4.598 -10.831 3.334 1.00 0.00 O ATOM 0 H TYR A 14 8.806 -5.788 0.492 1.00 0.00 H new ATOM 0 HA TYR A 14 8.616 -8.595 -0.599 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.543 -6.503 -0.733 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.699 -7.884 -1.800 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.472 -10.144 -0.140 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.732 -7.004 0.806 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.590 -11.505 1.709 1.00 0.00 H new ATOM 0 HE2 TYR A 14 3.797 -8.388 2.619 1.00 0.00 H new ATOM 0 HH TYR A 14 4.030 -10.280 3.912 1.00 0.00 H new ATOM 192 N GLY A 15 8.835 -6.044 -2.519 1.00 0.00 N ATOM 193 CA GLY A 15 9.645 -5.410 -3.542 1.00 0.00 C ATOM 194 C GLY A 15 10.056 -3.993 -3.257 1.00 0.00 C ATOM 195 O GLY A 15 10.904 -3.471 -3.980 1.00 0.00 O ATOM 0 H GLY A 15 7.840 -5.828 -2.580 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.544 -6.008 -3.691 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.092 -5.427 -4.481 1.00 0.00 H new ATOM 199 N VAL A 16 9.490 -3.325 -2.212 1.00 0.00 N ATOM 200 CA VAL A 16 9.684 -1.892 -2.034 1.00 0.00 C ATOM 201 C VAL A 16 9.839 -1.609 -0.575 1.00 0.00 C ATOM 202 O VAL A 16 9.352 -2.350 0.277 1.00 0.00 O ATOM 203 CB VAL A 16 8.487 -1.056 -2.596 1.00 0.00 C ATOM 204 CG1 VAL A 16 8.612 0.472 -2.593 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.119 -1.460 -4.024 1.00 0.00 C ATOM 0 H VAL A 16 8.907 -3.765 -1.500 1.00 0.00 H new ATOM 0 HA VAL A 16 10.575 -1.601 -2.589 1.00 0.00 H new ATOM 0 HB VAL A 16 7.716 -1.308 -1.868 1.00 0.00 H new ATOM 0 HG11 VAL A 16 7.707 0.912 -3.011 1.00 0.00 H new ATOM 0 HG12 VAL A 16 8.747 0.824 -1.570 1.00 0.00 H new ATOM 0 HG13 VAL A 16 9.471 0.768 -3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.283 -0.852 -4.370 1.00 0.00 H new ATOM 0 HG22 VAL A 16 8.977 -1.304 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 16 7.835 -2.512 -4.043 1.00 0.00 H new ATOM 215 N LEU A 17 10.449 -0.425 -0.316 1.00 0.00 N ATOM 216 CA LEU A 17 10.716 0.232 0.949 1.00 0.00 C ATOM 217 C LEU A 17 9.373 0.730 1.438 1.00 0.00 C ATOM 218 O LEU A 17 8.892 1.767 0.984 1.00 0.00 O ATOM 219 CB LEU A 17 11.727 1.393 0.771 1.00 0.00 C ATOM 220 CG LEU A 17 12.197 2.125 2.053 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.996 1.212 2.996 1.00 0.00 C ATOM 222 CD2 LEU A 17 12.994 3.396 1.702 1.00 0.00 C ATOM 0 H LEU A 17 10.798 0.141 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 17 11.171 -0.447 1.670 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.608 0.999 0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.280 2.131 0.105 1.00 0.00 H new ATOM 0 HG LEU A 17 11.298 2.421 2.594 1.00 0.00 H new ATOM 0 HD11 LEU A 17 13.300 1.776 3.878 1.00 0.00 H new ATOM 0 HD12 LEU A 17 12.374 0.370 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.881 0.841 2.480 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.312 3.891 2.620 1.00 0.00 H new ATOM 0 HD22 LEU A 17 13.870 3.125 1.113 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.364 4.073 1.124 1.00 0.00 H new ATOM 234 N THR A 18 8.734 -0.035 2.349 1.00 0.00 N ATOM 235 CA THR A 18 7.391 0.208 2.826 1.00 0.00 C ATOM 236 C THR A 18 7.430 0.297 4.306 1.00 0.00 C ATOM 237 O THR A 18 8.455 0.055 4.933 1.00 0.00 O ATOM 238 CB THR A 18 6.442 -0.989 2.473 1.00 0.00 C ATOM 239 OG1 THR A 18 7.102 -2.249 2.604 1.00 0.00 O ATOM 240 CG2 THR A 18 5.856 -0.878 1.071 1.00 0.00 C ATOM 0 H THR A 18 9.165 -0.856 2.773 1.00 0.00 H new ATOM 0 HA THR A 18 7.024 1.123 2.361 1.00 0.00 H new ATOM 0 HB THR A 18 5.626 -0.934 3.194 1.00 0.00 H new ATOM 0 HG1 THR A 18 7.774 -2.342 1.896 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.207 -1.732 0.879 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.278 0.042 0.990 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.664 -0.864 0.339 1.00 0.00 H new ATOM 248 N CYS A 19 6.251 0.610 4.906 1.00 0.00 N ATOM 249 CA CYS A 19 6.114 0.721 6.348 1.00 0.00 C ATOM 250 C CYS A 19 5.937 -0.675 6.926 1.00 0.00 C ATOM 251 O CYS A 19 6.216 -1.678 6.267 1.00 0.00 O ATOM 252 CB CYS A 19 5.073 1.751 6.899 1.00 0.00 C ATOM 253 SG CYS A 19 3.309 1.539 6.468 1.00 0.00 S ATOM 0 H CYS A 19 5.388 0.787 4.392 1.00 0.00 H new ATOM 0 HA CYS A 19 7.041 1.174 6.699 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.149 1.748 7.986 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.378 2.741 6.561 1.00 0.00 H new ATOM 258 N GLY A 20 5.451 -0.763 8.185 1.00 0.00 N ATOM 259 CA GLY A 20 5.199 -2.013 8.869 1.00 0.00 C ATOM 260 C GLY A 20 3.891 -2.577 8.390 1.00 0.00 C ATOM 261 O GLY A 20 3.785 -3.767 8.109 1.00 0.00 O ATOM 0 H GLY A 20 5.225 0.057 8.748 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.007 -2.718 8.675 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.168 -1.853 9.947 1.00 0.00 H new ATOM 265 N SER A 21 2.885 -1.682 8.229 1.00 0.00 N ATOM 266 CA SER A 21 1.527 -1.996 7.831 1.00 0.00 C ATOM 267 C SER A 21 1.371 -2.343 6.368 1.00 0.00 C ATOM 268 O SER A 21 0.591 -3.240 6.065 1.00 0.00 O ATOM 269 CB SER A 21 0.532 -0.867 8.171 1.00 0.00 C ATOM 270 OG SER A 21 0.588 -0.552 9.555 1.00 0.00 O ATOM 0 H SER A 21 3.024 -0.684 8.384 1.00 0.00 H new ATOM 0 HA SER A 21 1.293 -2.885 8.416 1.00 0.00 H new ATOM 0 HB2 SER A 21 0.764 0.020 7.581 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.479 -1.173 7.903 1.00 0.00 H new ATOM 0 HG SER A 21 -0.048 0.167 9.753 1.00 0.00 H new ATOM 276 N CYS A 22 2.110 -1.665 5.429 1.00 0.00 N ATOM 277 CA CYS A 22 1.984 -1.821 3.975 1.00 0.00 C ATOM 278 C CYS A 22 2.479 -3.152 3.486 1.00 0.00 C ATOM 279 O CYS A 22 2.095 -3.617 2.414 1.00 0.00 O ATOM 280 CB CYS A 22 2.527 -0.672 3.100 1.00 0.00 C ATOM 281 SG CYS A 22 1.457 0.798 3.255 1.00 0.00 S ATOM 0 H CYS A 22 2.822 -0.983 5.690 1.00 0.00 H new ATOM 0 HA CYS A 22 0.904 -1.771 3.837 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.544 -0.424 3.403 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.573 -0.989 2.058 1.00 0.00 H new ATOM 286 N LYS A 23 3.288 -3.821 4.339 1.00 0.00 N ATOM 287 CA LYS A 23 3.821 -5.150 4.182 1.00 0.00 C ATOM 288 C LYS A 23 2.674 -6.130 4.259 1.00 0.00 C ATOM 289 O LYS A 23 2.311 -6.785 3.287 1.00 0.00 O ATOM 290 CB LYS A 23 4.900 -5.433 5.254 1.00 0.00 C ATOM 291 CG LYS A 23 5.626 -6.793 5.207 1.00 0.00 C ATOM 292 CD LYS A 23 4.890 -7.985 5.854 1.00 0.00 C ATOM 293 CE LYS A 23 5.825 -9.095 6.377 1.00 0.00 C ATOM 294 NZ LYS A 23 6.699 -9.638 5.337 1.00 0.00 N ATOM 0 H LYS A 23 3.595 -3.394 5.213 1.00 0.00 H new ATOM 0 HA LYS A 23 4.311 -5.253 3.214 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.654 -4.649 5.184 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.431 -5.338 6.233 1.00 0.00 H new ATOM 0 HG2 LYS A 23 5.824 -7.039 4.164 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.593 -6.681 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 23 4.282 -7.617 6.681 1.00 0.00 H new ATOM 0 HD3 LYS A 23 4.206 -8.416 5.123 1.00 0.00 H new ATOM 0 HE2 LYS A 23 6.436 -8.697 7.187 1.00 0.00 H new ATOM 0 HE3 LYS A 23 5.224 -9.901 6.798 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.075 -10.557 5.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 6.157 -9.763 4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 7.487 -8.981 5.168 1.00 0.00 H new ATOM 308 N VAL A 24 2.047 -6.164 5.454 1.00 0.00 N ATOM 309 CA VAL A 24 0.942 -7.005 5.887 1.00 0.00 C ATOM 310 C VAL A 24 -0.303 -6.803 5.066 1.00 0.00 C ATOM 311 O VAL A 24 -1.036 -7.750 4.787 1.00 0.00 O ATOM 312 CB VAL A 24 0.603 -6.759 7.393 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.437 -7.739 7.975 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.861 -6.720 8.284 1.00 0.00 C ATOM 0 H VAL A 24 2.341 -5.537 6.203 1.00 0.00 H new ATOM 0 HA VAL A 24 1.278 -8.032 5.745 1.00 0.00 H new ATOM 0 HB VAL A 24 0.141 -5.772 7.404 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.616 -7.500 9.023 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.370 -7.652 7.419 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.061 -8.759 7.895 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.568 -6.546 9.320 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.389 -7.671 8.211 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.517 -5.915 7.953 1.00 0.00 H new ATOM 324 N PHE A 25 -0.516 -5.536 4.653 1.00 0.00 N ATOM 325 CA PHE A 25 -1.567 -5.001 3.818 1.00 0.00 C ATOM 326 C PHE A 25 -1.568 -5.692 2.492 1.00 0.00 C ATOM 327 O PHE A 25 -2.575 -6.249 2.083 1.00 0.00 O ATOM 328 CB PHE A 25 -1.295 -3.495 3.583 1.00 0.00 C ATOM 329 CG PHE A 25 -2.210 -2.788 2.613 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.614 -2.860 2.680 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.609 -2.129 1.529 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.397 -2.295 1.665 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.386 -1.581 0.513 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.781 -1.663 0.577 1.00 0.00 C ATOM 0 H PHE A 25 0.126 -4.796 4.938 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.529 -5.151 4.309 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.356 -2.984 4.544 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.271 -3.385 3.227 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.089 -3.352 3.516 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.533 -2.047 1.483 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.474 -2.347 1.721 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.912 -1.092 -0.325 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.383 -1.239 -0.213 1.00 0.00 H new ATOM 344 N PHE A 26 -0.381 -5.653 1.844 1.00 0.00 N ATOM 345 CA PHE A 26 -0.058 -6.174 0.535 1.00 0.00 C ATOM 346 C PHE A 26 -0.199 -7.679 0.493 1.00 0.00 C ATOM 347 O PHE A 26 -0.776 -8.235 -0.429 1.00 0.00 O ATOM 348 CB PHE A 26 1.340 -5.687 0.088 1.00 0.00 C ATOM 349 CG PHE A 26 1.738 -6.126 -1.300 1.00 0.00 C ATOM 350 CD1 PHE A 26 1.175 -5.539 -2.447 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.712 -7.120 -1.460 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.614 -5.908 -3.726 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.166 -7.472 -2.729 1.00 0.00 C ATOM 354 CZ PHE A 26 2.616 -6.879 -3.867 1.00 0.00 C ATOM 0 H PHE A 26 0.431 -5.215 2.278 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.776 -5.783 -0.185 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.364 -4.598 0.132 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.083 -6.051 0.798 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.397 -4.797 -2.342 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.115 -7.618 -0.591 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.182 -5.446 -4.601 1.00 0.00 H new ATOM 0 HE2 PHE A 26 3.949 -8.209 -2.833 1.00 0.00 H new ATOM 0 HZ PHE A 26 2.960 -7.166 -4.850 1.00 0.00 H new ATOM 364 N LYS A 27 0.276 -8.365 1.546 1.00 0.00 N ATOM 365 CA LYS A 27 0.235 -9.812 1.736 1.00 0.00 C ATOM 366 C LYS A 27 -1.202 -10.304 1.916 1.00 0.00 C ATOM 367 O LYS A 27 -1.518 -11.450 1.602 1.00 0.00 O ATOM 368 CB LYS A 27 1.246 -10.232 2.836 1.00 0.00 C ATOM 369 CG LYS A 27 1.288 -11.698 3.328 1.00 0.00 C ATOM 370 CD LYS A 27 1.892 -12.747 2.372 1.00 0.00 C ATOM 371 CE LYS A 27 0.920 -13.429 1.393 1.00 0.00 C ATOM 372 NZ LYS A 27 -0.123 -14.189 2.083 1.00 0.00 N ATOM 0 H LYS A 27 0.724 -7.890 2.330 1.00 0.00 H new ATOM 0 HA LYS A 27 0.571 -10.327 0.836 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.243 -9.983 2.472 1.00 0.00 H new ATOM 0 HB3 LYS A 27 1.058 -9.603 3.706 1.00 0.00 H new ATOM 0 HG2 LYS A 27 1.853 -11.725 4.260 1.00 0.00 H new ATOM 0 HG3 LYS A 27 0.269 -12.004 3.564 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.678 -12.265 1.791 1.00 0.00 H new ATOM 0 HD3 LYS A 27 2.369 -13.521 2.973 1.00 0.00 H new ATOM 0 HE2 LYS A 27 0.456 -12.673 0.759 1.00 0.00 H new ATOM 0 HE3 LYS A 27 1.478 -14.096 0.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -0.367 -15.030 1.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.224 -14.484 3.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -0.967 -13.593 2.199 1.00 0.00 H new ATOM 386 N ARG A 28 -2.123 -9.411 2.372 1.00 0.00 N ATOM 387 CA ARG A 28 -3.547 -9.675 2.519 1.00 0.00 C ATOM 388 C ARG A 28 -4.256 -9.382 1.211 1.00 0.00 C ATOM 389 O ARG A 28 -5.125 -10.117 0.758 1.00 0.00 O ATOM 390 CB ARG A 28 -4.194 -8.795 3.624 1.00 0.00 C ATOM 391 CG ARG A 28 -4.992 -9.575 4.686 1.00 0.00 C ATOM 392 CD ARG A 28 -4.127 -10.039 5.871 1.00 0.00 C ATOM 393 NE ARG A 28 -5.028 -10.647 6.916 1.00 0.00 N ATOM 394 CZ ARG A 28 -4.597 -10.916 8.190 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.534 -10.264 8.748 1.00 0.00 N ATOM 396 NH2 ARG A 28 -5.273 -11.842 8.935 1.00 0.00 N ATOM 0 H ARG A 28 -1.867 -8.464 2.651 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.652 -10.723 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.408 -8.228 4.124 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -4.857 -8.071 3.150 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -5.801 -8.946 5.059 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.454 -10.445 4.219 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -3.389 -10.768 5.538 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -3.576 -9.197 6.290 1.00 0.00 H new ATOM 0 HE ARG A 28 -5.992 -10.866 6.667 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.035 -9.553 8.214 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -3.240 -10.489 9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -6.084 -12.320 8.541 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.967 -12.055 9.884 1.00 0.00 H new ATOM 410 N ALA A 29 -3.842 -8.265 0.586 1.00 0.00 N ATOM 411 CA ALA A 29 -4.369 -7.622 -0.598 1.00 0.00 C ATOM 412 C ALA A 29 -4.063 -8.331 -1.888 1.00 0.00 C ATOM 413 O ALA A 29 -4.657 -8.030 -2.921 1.00 0.00 O ATOM 414 CB ALA A 29 -3.797 -6.203 -0.713 1.00 0.00 C ATOM 0 H ALA A 29 -3.043 -7.747 0.950 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.451 -7.632 -0.466 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.196 -5.721 -1.606 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.078 -5.625 0.167 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.710 -6.253 -0.782 1.00 0.00 H new ATOM 420 N VAL A 30 -3.104 -9.278 -1.850 1.00 0.00 N ATOM 421 CA VAL A 30 -2.620 -10.002 -3.002 1.00 0.00 C ATOM 422 C VAL A 30 -3.164 -11.404 -2.938 1.00 0.00 C ATOM 423 O VAL A 30 -4.069 -11.763 -3.691 1.00 0.00 O ATOM 424 CB VAL A 30 -1.065 -9.958 -3.102 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.505 -10.851 -4.219 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.516 -8.529 -3.290 1.00 0.00 C ATOM 0 H VAL A 30 -2.643 -9.555 -0.983 1.00 0.00 H new ATOM 0 HA VAL A 30 -2.975 -9.528 -3.917 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.726 -10.346 -2.141 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.582 -10.775 -4.235 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.794 -11.886 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.906 -10.527 -5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.572 -8.562 -3.353 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.920 -8.102 -4.208 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.811 -7.911 -2.442 1.00 0.00 H new ATOM 436 N GLU A 31 -2.584 -12.225 -2.036 1.00 0.00 N ATOM 437 CA GLU A 31 -2.916 -13.624 -1.843 1.00 0.00 C ATOM 438 C GLU A 31 -3.746 -13.720 -0.595 1.00 0.00 C ATOM 439 O GLU A 31 -3.393 -14.385 0.380 1.00 0.00 O ATOM 440 CB GLU A 31 -1.679 -14.554 -1.769 1.00 0.00 C ATOM 441 CG GLU A 31 -1.041 -14.826 -3.150 1.00 0.00 C ATOM 442 CD GLU A 31 0.200 -15.715 -3.024 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.045 -16.905 -2.638 1.00 0.00 O ATOM 444 OE2 GLU A 31 1.319 -15.215 -3.320 1.00 0.00 O ATOM 0 H GLU A 31 -1.847 -11.905 -1.407 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.470 -13.974 -2.714 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -0.933 -14.105 -1.113 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -1.971 -15.502 -1.317 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -1.771 -15.307 -3.802 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.768 -13.881 -3.619 1.00 0.00 H new ATOM 451 N GLY A 32 -4.915 -13.052 -0.647 1.00 0.00 N ATOM 452 CA GLY A 32 -5.870 -13.083 0.439 1.00 0.00 C ATOM 453 C GLY A 32 -7.175 -12.518 -0.012 1.00 0.00 C ATOM 454 O GLY A 32 -7.540 -12.616 -1.183 1.00 0.00 O ATOM 0 H GLY A 32 -5.207 -12.485 -1.443 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -6.008 -14.108 0.784 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -5.490 -12.511 1.285 1.00 0.00 H new ATOM 458 N GLN A 33 -7.912 -11.902 0.951 1.00 0.00 N ATOM 459 CA GLN A 33 -9.202 -11.275 0.754 1.00 0.00 C ATOM 460 C GLN A 33 -8.950 -9.800 0.686 1.00 0.00 C ATOM 461 O GLN A 33 -8.222 -9.231 1.500 1.00 0.00 O ATOM 462 CB GLN A 33 -10.219 -11.594 1.875 1.00 0.00 C ATOM 463 CG GLN A 33 -10.677 -13.072 1.925 1.00 0.00 C ATOM 464 CD GLN A 33 -11.618 -13.429 0.758 1.00 0.00 C ATOM 465 OE1 GLN A 33 -12.844 -13.369 0.907 1.00 0.00 O ATOM 466 NE2 GLN A 33 -11.021 -13.803 -0.415 1.00 0.00 N ATOM 0 H GLN A 33 -7.591 -11.838 1.917 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.652 -11.662 -0.160 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -9.776 -11.331 2.836 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.096 -10.959 1.744 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.803 -13.723 1.897 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -11.185 -13.261 2.870 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -10.004 -13.835 -0.482 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.593 -14.050 -1.222 1.00 0.00 H new ATOM 475 N HIS A 34 -9.559 -9.172 -0.346 1.00 0.00 N ATOM 476 CA HIS A 34 -9.389 -7.791 -0.715 1.00 0.00 C ATOM 477 C HIS A 34 -10.665 -7.086 -0.348 1.00 0.00 C ATOM 478 O HIS A 34 -11.735 -7.454 -0.833 1.00 0.00 O ATOM 479 CB HIS A 34 -9.165 -7.681 -2.241 1.00 0.00 C ATOM 480 CG HIS A 34 -8.135 -8.638 -2.815 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.098 -8.782 -4.193 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.258 -9.507 -2.230 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.219 -9.740 -4.411 1.00 0.00 C ATOM 484 NE2 HIS A 34 -6.687 -10.219 -3.261 1.00 0.00 N ATOM 0 H HIS A 34 -10.211 -9.660 -0.961 1.00 0.00 H new ATOM 0 HA HIS A 34 -8.530 -7.353 -0.207 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -10.116 -7.852 -2.745 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -8.859 -6.661 -2.474 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.054 -9.614 -1.175 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -6.954 -10.101 -5.394 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.996 -10.964 -3.175 1.00 0.00 H new ATOM 492 N ASN A 35 -10.578 -6.058 0.534 1.00 0.00 N ATOM 493 CA ASN A 35 -11.736 -5.322 1.006 1.00 0.00 C ATOM 494 C ASN A 35 -11.329 -3.878 1.133 1.00 0.00 C ATOM 495 O ASN A 35 -11.188 -3.350 2.235 1.00 0.00 O ATOM 496 CB ASN A 35 -12.288 -5.826 2.375 1.00 0.00 C ATOM 497 CG ASN A 35 -12.878 -7.246 2.281 1.00 0.00 C ATOM 498 OD1 ASN A 35 -12.233 -8.221 2.685 1.00 0.00 O ATOM 499 ND2 ASN A 35 -14.127 -7.344 1.730 1.00 0.00 N ATOM 0 H ASN A 35 -9.695 -5.731 0.926 1.00 0.00 H new ATOM 0 HA ASN A 35 -12.542 -5.467 0.287 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -11.486 -5.816 3.113 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.056 -5.139 2.730 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -14.573 -8.257 1.636 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -14.612 -6.504 1.414 1.00 0.00 H new ATOM 506 N TYR A 36 -11.156 -3.189 -0.022 1.00 0.00 N ATOM 507 CA TYR A 36 -10.825 -1.797 -0.072 1.00 0.00 C ATOM 508 C TYR A 36 -11.520 -1.386 -1.343 1.00 0.00 C ATOM 509 O TYR A 36 -11.704 -2.212 -2.239 1.00 0.00 O ATOM 510 CB TYR A 36 -9.307 -1.512 -0.204 1.00 0.00 C ATOM 511 CG TYR A 36 -8.513 -2.605 -0.891 1.00 0.00 C ATOM 512 CD1 TYR A 36 -8.389 -2.596 -2.292 1.00 0.00 C ATOM 513 CD2 TYR A 36 -7.879 -3.630 -0.162 1.00 0.00 C ATOM 514 CE1 TYR A 36 -7.674 -3.596 -2.954 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.165 -4.637 -0.822 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.068 -4.623 -2.221 1.00 0.00 C ATOM 517 OH TYR A 36 -6.390 -5.652 -2.903 1.00 0.00 O ATOM 0 H TYR A 36 -11.250 -3.618 -0.943 1.00 0.00 H new ATOM 0 HA TYR A 36 -11.117 -1.273 0.838 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.173 -0.582 -0.757 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.893 -1.353 0.792 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.853 -1.805 -2.863 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.944 -3.639 0.916 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -7.589 -3.577 -4.030 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.690 -5.423 -0.255 1.00 0.00 H new ATOM 0 HH TYR A 36 -5.822 -5.263 -3.601 1.00 0.00 H new ATOM 527 N LEU A 37 -11.923 -0.098 -1.464 1.00 0.00 N ATOM 528 CA LEU A 37 -12.569 0.373 -2.670 1.00 0.00 C ATOM 529 C LEU A 37 -12.326 1.844 -2.858 1.00 0.00 C ATOM 530 O LEU A 37 -12.302 2.619 -1.902 1.00 0.00 O ATOM 531 CB LEU A 37 -14.098 0.071 -2.759 1.00 0.00 C ATOM 532 CG LEU A 37 -15.066 0.784 -1.771 1.00 0.00 C ATOM 533 CD1 LEU A 37 -16.538 0.564 -2.179 1.00 0.00 C ATOM 534 CD2 LEU A 37 -14.843 0.394 -0.298 1.00 0.00 C ATOM 0 H LEU A 37 -11.805 0.610 -0.740 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.109 -0.197 -3.477 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.423 0.313 -3.771 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.229 -1.003 -2.631 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.833 1.847 -1.842 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -17.192 1.073 -1.471 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -16.702 0.966 -3.179 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -16.761 -0.503 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -15.553 0.930 0.332 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -14.991 -0.679 -0.179 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -13.827 0.655 -0.002 1.00 0.00 H new ATOM 546 N CYS A 38 -12.147 2.229 -4.147 1.00 0.00 N ATOM 547 CA CYS A 38 -12.078 3.587 -4.626 1.00 0.00 C ATOM 548 C CYS A 38 -12.836 3.432 -5.914 1.00 0.00 C ATOM 549 O CYS A 38 -12.351 3.624 -7.028 1.00 0.00 O ATOM 550 CB CYS A 38 -10.672 4.216 -4.816 1.00 0.00 C ATOM 551 SG CYS A 38 -10.669 5.959 -4.256 1.00 0.00 S ATOM 0 H CYS A 38 -12.044 1.548 -4.899 1.00 0.00 H new ATOM 0 HA CYS A 38 -12.473 4.301 -3.903 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -9.933 3.646 -4.253 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -10.383 4.164 -5.866 1.00 0.00 H new ATOM 556 N ALA A 39 -14.110 3.057 -5.699 1.00 0.00 N ATOM 557 CA ALA A 39 -15.146 2.710 -6.648 1.00 0.00 C ATOM 558 C ALA A 39 -15.657 3.843 -7.485 1.00 0.00 C ATOM 559 O ALA A 39 -16.299 3.608 -8.509 1.00 0.00 O ATOM 560 CB ALA A 39 -16.357 2.109 -5.921 1.00 0.00 C ATOM 0 H ALA A 39 -14.462 2.987 -4.744 1.00 0.00 H new ATOM 0 HA ALA A 39 -14.660 2.001 -7.318 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -17.128 1.853 -6.648 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -16.051 1.210 -5.385 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -16.754 2.836 -5.212 1.00 0.00 H new ATOM 566 N GLY A 40 -15.362 5.094 -7.070 1.00 0.00 N ATOM 567 CA GLY A 40 -15.773 6.308 -7.742 1.00 0.00 C ATOM 568 C GLY A 40 -14.900 6.564 -8.941 1.00 0.00 C ATOM 569 O GLY A 40 -15.344 6.430 -10.082 1.00 0.00 O ATOM 0 H GLY A 40 -14.813 5.273 -6.229 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -16.814 6.224 -8.053 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -15.713 7.151 -7.053 1.00 0.00 H new ATOM 573 N ARG A 41 -13.615 6.918 -8.697 1.00 0.00 N ATOM 574 CA ARG A 41 -12.657 7.200 -9.734 1.00 0.00 C ATOM 575 C ARG A 41 -11.432 6.363 -9.494 1.00 0.00 C ATOM 576 O ARG A 41 -11.147 5.432 -10.246 1.00 0.00 O ATOM 577 CB ARG A 41 -12.269 8.696 -9.885 1.00 0.00 C ATOM 578 CG ARG A 41 -13.419 9.645 -10.279 1.00 0.00 C ATOM 579 CD ARG A 41 -14.026 9.342 -11.665 1.00 0.00 C ATOM 580 NE ARG A 41 -14.926 10.471 -12.088 1.00 0.00 N ATOM 581 CZ ARG A 41 -16.149 10.721 -11.515 1.00 0.00 C ATOM 582 NH1 ARG A 41 -16.849 9.760 -10.841 1.00 0.00 N ATOM 583 NH2 ARG A 41 -16.674 11.976 -11.644 1.00 0.00 N ATOM 0 H ARG A 41 -13.234 7.010 -7.755 1.00 0.00 H new ATOM 0 HA ARG A 41 -13.139 6.946 -10.678 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.845 9.040 -8.942 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -11.483 8.775 -10.636 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -14.205 9.581 -9.526 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.051 10.671 -10.270 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -13.231 9.205 -12.398 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.590 8.410 -11.629 1.00 0.00 H new ATOM 0 HE ARG A 41 -14.611 11.083 -12.840 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.466 8.819 -10.750 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -17.755 9.984 -10.429 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -16.160 12.694 -12.154 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -17.580 12.195 -11.230 1.00 0.00 H new ATOM 597 N ASN A 42 -10.677 6.750 -8.440 1.00 0.00 N ATOM 598 CA ASN A 42 -9.357 6.313 -8.008 1.00 0.00 C ATOM 599 C ASN A 42 -8.634 7.599 -8.350 1.00 0.00 C ATOM 600 O ASN A 42 -8.048 7.729 -9.425 1.00 0.00 O ATOM 601 CB ASN A 42 -8.738 5.031 -8.671 1.00 0.00 C ATOM 602 CG ASN A 42 -7.367 4.593 -8.096 1.00 0.00 C ATOM 603 OD1 ASN A 42 -6.400 5.368 -8.087 1.00 0.00 O ATOM 604 ND2 ASN A 42 -7.288 3.308 -7.633 1.00 0.00 N ATOM 0 H ASN A 42 -11.036 7.463 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 42 -9.319 5.951 -6.981 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -9.442 4.206 -8.559 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -8.626 5.211 -9.740 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -6.407 2.953 -7.261 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -8.110 2.705 -7.660 1.00 0.00 H new ATOM 611 N ASP A 43 -8.727 8.598 -7.438 1.00 0.00 N ATOM 612 CA ASP A 43 -8.202 9.936 -7.605 1.00 0.00 C ATOM 613 C ASP A 43 -7.122 10.233 -6.616 1.00 0.00 C ATOM 614 O ASP A 43 -6.045 10.695 -6.995 1.00 0.00 O ATOM 615 CB ASP A 43 -9.273 11.073 -7.429 1.00 0.00 C ATOM 616 CG ASP A 43 -10.562 10.727 -6.651 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.466 10.299 -5.473 1.00 0.00 O ATOM 618 OD2 ASP A 43 -11.664 10.925 -7.229 1.00 0.00 O ATOM 0 H ASP A 43 -9.191 8.468 -6.539 1.00 0.00 H new ATOM 0 HA ASP A 43 -7.832 9.939 -8.630 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -8.792 11.912 -6.926 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -9.562 11.419 -8.421 1.00 0.00 H new ATOM 623 N CYS A 44 -7.421 10.017 -5.317 1.00 0.00 N ATOM 624 CA CYS A 44 -6.638 10.406 -4.182 1.00 0.00 C ATOM 625 C CYS A 44 -5.222 9.883 -4.133 1.00 0.00 C ATOM 626 O CYS A 44 -4.932 8.757 -4.535 1.00 0.00 O ATOM 627 CB CYS A 44 -7.355 10.084 -2.826 1.00 0.00 C ATOM 628 SG CYS A 44 -8.809 8.965 -2.884 1.00 0.00 S ATOM 0 H CYS A 44 -8.276 9.533 -5.043 1.00 0.00 H new ATOM 0 HA CYS A 44 -6.551 11.484 -4.320 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.619 9.646 -2.152 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -7.673 11.027 -2.381 1.00 0.00 H new ATOM 633 N ILE A 45 -4.311 10.747 -3.609 1.00 0.00 N ATOM 634 CA ILE A 45 -2.911 10.455 -3.384 1.00 0.00 C ATOM 635 C ILE A 45 -2.907 9.986 -1.965 1.00 0.00 C ATOM 636 O ILE A 45 -3.422 10.657 -1.072 1.00 0.00 O ATOM 637 CB ILE A 45 -1.938 11.666 -3.548 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.048 12.314 -4.950 1.00 0.00 C ATOM 639 CG2 ILE A 45 -0.461 11.347 -3.187 1.00 0.00 C ATOM 640 CD1 ILE A 45 -1.695 11.385 -6.123 1.00 0.00 C ATOM 0 H ILE A 45 -4.564 11.695 -3.329 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.544 9.743 -4.124 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.271 12.396 -2.810 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.066 12.677 -5.087 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -1.392 13.184 -4.985 1.00 0.00 H new ATOM 0 HG21 ILE A 45 0.149 12.239 -3.328 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -0.402 11.027 -2.147 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.092 10.550 -3.833 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.802 11.928 -7.062 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -0.666 11.041 -6.018 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.367 10.526 -6.122 1.00 0.00 H new ATOM 652 N ILE A 46 -2.313 8.796 -1.758 1.00 0.00 N ATOM 653 CA ILE A 46 -2.239 8.125 -0.493 1.00 0.00 C ATOM 654 C ILE A 46 -0.924 8.521 0.103 1.00 0.00 C ATOM 655 O ILE A 46 0.134 8.378 -0.507 1.00 0.00 O ATOM 656 CB ILE A 46 -2.508 6.602 -0.699 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.927 6.194 -0.245 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.472 5.605 -0.147 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.070 7.122 -0.660 1.00 0.00 C ATOM 0 H ILE A 46 -1.861 8.275 -2.510 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.005 8.410 0.228 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.407 6.513 -1.781 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.137 5.198 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.928 6.117 0.842 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.794 4.587 -0.365 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.505 5.788 -0.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.382 5.734 0.932 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.014 6.728 -0.282 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.900 8.116 -0.247 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.112 7.184 -1.747 1.00 0.00 H new ATOM 671 N ASP A 47 -1.017 9.080 1.327 1.00 0.00 N ATOM 672 CA ASP A 47 0.098 9.559 2.088 1.00 0.00 C ATOM 673 C ASP A 47 -0.306 9.377 3.530 1.00 0.00 C ATOM 674 O ASP A 47 -1.284 8.693 3.818 1.00 0.00 O ATOM 675 CB ASP A 47 0.618 10.963 1.670 1.00 0.00 C ATOM 676 CG ASP A 47 -0.420 12.094 1.762 1.00 0.00 C ATOM 677 OD1 ASP A 47 -0.783 12.493 2.900 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.860 12.571 0.682 1.00 0.00 O ATOM 0 H ASP A 47 -1.909 9.203 1.806 1.00 0.00 H new ATOM 0 HA ASP A 47 1.005 8.988 1.890 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.470 11.220 2.299 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.984 10.908 0.645 1.00 0.00 H new ATOM 683 N LYS A 48 0.450 9.995 4.469 1.00 0.00 N ATOM 684 CA LYS A 48 0.345 9.853 5.913 1.00 0.00 C ATOM 685 C LYS A 48 -0.935 10.358 6.560 1.00 0.00 C ATOM 686 O LYS A 48 -1.138 10.170 7.759 1.00 0.00 O ATOM 687 CB LYS A 48 1.556 10.535 6.594 1.00 0.00 C ATOM 688 CG LYS A 48 2.010 9.891 7.922 1.00 0.00 C ATOM 689 CD LYS A 48 3.171 10.619 8.635 1.00 0.00 C ATOM 690 CE LYS A 48 2.762 11.826 9.506 1.00 0.00 C ATOM 691 NZ LYS A 48 2.281 12.963 8.723 1.00 0.00 N ATOM 0 H LYS A 48 1.192 10.644 4.205 1.00 0.00 H new ATOM 0 HA LYS A 48 0.329 8.775 6.070 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.396 10.527 5.899 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.307 11.579 6.781 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.157 9.849 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 48 2.312 8.862 7.725 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.696 9.900 9.264 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.880 10.961 7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 48 1.982 11.516 10.202 1.00 0.00 H new ATOM 0 HE3 LYS A 48 3.617 12.141 10.104 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 2.438 13.842 9.256 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 2.798 13.007 7.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 1.265 12.849 8.534 1.00 0.00 H new ATOM 705 N ILE A 49 -1.825 11.006 5.776 1.00 0.00 N ATOM 706 CA ILE A 49 -3.058 11.594 6.249 1.00 0.00 C ATOM 707 C ILE A 49 -4.180 11.088 5.394 1.00 0.00 C ATOM 708 O ILE A 49 -5.229 10.685 5.896 1.00 0.00 O ATOM 709 CB ILE A 49 -2.976 13.157 6.215 1.00 0.00 C ATOM 710 CG1 ILE A 49 -2.010 13.719 7.290 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.339 13.884 6.235 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.436 13.472 8.747 1.00 0.00 C ATOM 0 H ILE A 49 -1.684 11.127 4.773 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.235 11.308 7.286 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.556 13.380 5.234 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -1.025 13.278 7.137 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.906 14.793 7.136 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.177 14.962 6.209 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -4.924 13.584 5.366 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -4.879 13.620 7.144 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.695 13.903 9.421 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.405 13.938 8.927 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.510 12.400 8.928 1.00 0.00 H new ATOM 724 N ARG A 50 -3.964 11.136 4.064 1.00 0.00 N ATOM 725 CA ARG A 50 -4.928 10.834 3.023 1.00 0.00 C ATOM 726 C ARG A 50 -5.146 9.357 2.823 1.00 0.00 C ATOM 727 O ARG A 50 -5.992 8.964 2.021 1.00 0.00 O ATOM 728 CB ARG A 50 -4.557 11.534 1.699 1.00 0.00 C ATOM 729 CG ARG A 50 -4.723 13.068 1.796 1.00 0.00 C ATOM 730 CD ARG A 50 -4.278 13.883 0.567 1.00 0.00 C ATOM 731 NE ARG A 50 -5.082 13.490 -0.649 1.00 0.00 N ATOM 732 CZ ARG A 50 -4.778 13.966 -1.899 1.00 0.00 C ATOM 733 NH1 ARG A 50 -3.585 14.571 -2.175 1.00 0.00 N ATOM 734 NH2 ARG A 50 -5.701 13.836 -2.899 1.00 0.00 N ATOM 0 H ARG A 50 -3.057 11.403 3.681 1.00 0.00 H new ATOM 0 HA ARG A 50 -5.882 11.234 3.366 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -3.526 11.296 1.438 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.186 11.150 0.896 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -5.773 13.287 1.989 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.160 13.419 2.661 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -4.404 14.948 0.765 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -3.217 13.717 0.378 1.00 0.00 H new ATOM 0 HE ARG A 50 -5.872 12.854 -0.538 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -2.887 14.680 -1.440 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -3.392 14.913 -3.116 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -6.599 13.391 -2.710 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -5.492 14.184 -3.835 1.00 0.00 H new ATOM 748 N ARG A 51 -4.459 8.504 3.634 1.00 0.00 N ATOM 749 CA ARG A 51 -4.601 7.052 3.609 1.00 0.00 C ATOM 750 C ARG A 51 -5.890 6.613 4.285 1.00 0.00 C ATOM 751 O ARG A 51 -6.294 5.454 4.198 1.00 0.00 O ATOM 752 CB ARG A 51 -3.388 6.218 4.100 1.00 0.00 C ATOM 753 CG ARG A 51 -3.180 6.052 5.621 1.00 0.00 C ATOM 754 CD ARG A 51 -2.771 7.329 6.378 1.00 0.00 C ATOM 755 NE ARG A 51 -3.010 7.147 7.858 1.00 0.00 N ATOM 756 CZ ARG A 51 -2.254 6.310 8.639 1.00 0.00 C ATOM 757 NH1 ARG A 51 -0.983 5.952 8.294 1.00 0.00 N ATOM 758 NH2 ARG A 51 -2.800 5.820 9.792 1.00 0.00 N ATOM 0 H ARG A 51 -3.785 8.829 4.328 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.644 6.821 2.545 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.472 5.222 3.665 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.486 6.670 3.689 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.104 5.672 6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.415 5.293 5.785 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.719 7.550 6.195 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -3.344 8.180 6.010 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.768 7.670 8.297 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -0.569 6.309 7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -0.448 5.328 8.897 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.751 6.078 10.056 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.257 5.196 10.389 1.00 0.00 H new ATOM 772 N LYS A 52 -6.545 7.574 4.991 1.00 0.00 N ATOM 773 CA LYS A 52 -7.759 7.443 5.756 1.00 0.00 C ATOM 774 C LYS A 52 -8.938 7.884 4.916 1.00 0.00 C ATOM 775 O LYS A 52 -9.995 8.238 5.440 1.00 0.00 O ATOM 776 CB LYS A 52 -7.707 8.325 7.025 1.00 0.00 C ATOM 777 CG LYS A 52 -6.483 8.078 7.933 1.00 0.00 C ATOM 778 CD LYS A 52 -6.325 9.124 9.055 1.00 0.00 C ATOM 779 CE LYS A 52 -7.512 9.184 10.032 1.00 0.00 C ATOM 780 NZ LYS A 52 -7.296 10.196 11.065 1.00 0.00 N ATOM 0 H LYS A 52 -6.186 8.528 5.025 1.00 0.00 H new ATOM 0 HA LYS A 52 -7.865 6.398 6.047 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.713 9.372 6.723 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.613 8.155 7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -6.567 7.088 8.380 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -5.581 8.076 7.320 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -5.417 8.904 9.617 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -6.190 10.107 8.604 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -8.427 9.410 9.484 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -7.652 8.209 10.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -8.112 10.214 11.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -6.436 9.966 11.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -7.186 11.129 10.619 1.00 0.00 H new ATOM 794 N ASN A 53 -8.763 7.860 3.572 1.00 0.00 N ATOM 795 CA ASN A 53 -9.722 8.226 2.566 1.00 0.00 C ATOM 796 C ASN A 53 -10.182 6.915 1.981 1.00 0.00 C ATOM 797 O ASN A 53 -11.346 6.754 1.620 1.00 0.00 O ATOM 798 CB ASN A 53 -9.081 9.143 1.478 1.00 0.00 C ATOM 799 CG ASN A 53 -10.104 10.005 0.710 1.00 0.00 C ATOM 800 OD1 ASN A 53 -11.084 9.494 0.155 1.00 0.00 O ATOM 801 ND2 ASN A 53 -9.834 11.346 0.675 1.00 0.00 N ATOM 0 H ASN A 53 -7.879 7.560 3.161 1.00 0.00 H new ATOM 0 HA ASN A 53 -10.551 8.801 2.979 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.351 9.799 1.953 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -8.537 8.522 0.767 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -10.457 11.979 0.173 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -9.010 11.713 1.151 1.00 0.00 H new ATOM 808 N CYS A 54 -9.239 5.948 1.885 1.00 0.00 N ATOM 809 CA CYS A 54 -9.459 4.641 1.319 1.00 0.00 C ATOM 810 C CYS A 54 -8.193 3.844 1.616 1.00 0.00 C ATOM 811 O CYS A 54 -7.108 4.428 1.609 1.00 0.00 O ATOM 812 CB CYS A 54 -9.742 4.650 -0.224 1.00 0.00 C ATOM 813 SG CYS A 54 -8.522 5.648 -1.147 1.00 0.00 S ATOM 0 H CYS A 54 -8.283 6.082 2.216 1.00 0.00 H new ATOM 0 HA CYS A 54 -10.355 4.205 1.761 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -9.729 3.627 -0.599 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.742 5.044 -0.405 1.00 0.00 H new ATOM 818 N PRO A 55 -8.281 2.513 1.786 1.00 0.00 N ATOM 819 CA PRO A 55 -7.134 1.622 1.686 1.00 0.00 C ATOM 820 C PRO A 55 -7.078 0.995 0.294 1.00 0.00 C ATOM 821 O PRO A 55 -6.552 -0.109 0.165 1.00 0.00 O ATOM 822 CB PRO A 55 -7.403 0.611 2.795 1.00 0.00 C ATOM 823 CG PRO A 55 -8.936 0.551 2.945 1.00 0.00 C ATOM 824 CD PRO A 55 -9.472 1.816 2.256 1.00 0.00 C ATOM 0 HA PRO A 55 -6.164 2.105 1.806 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -6.996 -0.367 2.539 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -6.930 0.919 3.728 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -9.340 -0.349 2.480 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -9.226 0.525 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -10.137 1.565 1.429 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -10.044 2.433 2.949 1.00 0.00 H new ATOM 832 N ALA A 56 -7.596 1.645 -0.791 1.00 0.00 N ATOM 833 CA ALA A 56 -7.707 1.104 -2.132 1.00 0.00 C ATOM 834 C ALA A 56 -6.610 1.661 -2.982 1.00 0.00 C ATOM 835 O ALA A 56 -5.900 0.901 -3.636 1.00 0.00 O ATOM 836 CB ALA A 56 -9.043 1.410 -2.809 1.00 0.00 C ATOM 0 H ALA A 56 -7.955 2.597 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.634 0.021 -2.033 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.053 0.974 -3.808 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.855 0.985 -2.220 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -9.175 2.489 -2.883 1.00 0.00 H new ATOM 842 N CYS A 57 -6.429 3.013 -2.964 1.00 0.00 N ATOM 843 CA CYS A 57 -5.381 3.742 -3.646 1.00 0.00 C ATOM 844 C CYS A 57 -3.989 3.350 -3.233 1.00 0.00 C ATOM 845 O CYS A 57 -3.073 3.398 -4.043 1.00 0.00 O ATOM 846 CB CYS A 57 -5.525 5.269 -3.518 1.00 0.00 C ATOM 847 SG CYS A 57 -6.888 6.009 -4.491 1.00 0.00 S ATOM 0 H CYS A 57 -7.052 3.629 -2.442 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.517 3.455 -4.689 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.674 5.517 -2.467 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.588 5.733 -3.825 1.00 0.00 H new ATOM 852 N ARG A 58 -3.830 2.890 -1.973 1.00 0.00 N ATOM 853 CA ARG A 58 -2.611 2.371 -1.387 1.00 0.00 C ATOM 854 C ARG A 58 -2.146 1.112 -2.072 1.00 0.00 C ATOM 855 O ARG A 58 -0.947 0.863 -2.158 1.00 0.00 O ATOM 856 CB ARG A 58 -2.687 2.000 0.116 1.00 0.00 C ATOM 857 CG ARG A 58 -3.611 2.877 0.972 1.00 0.00 C ATOM 858 CD ARG A 58 -3.432 2.740 2.498 1.00 0.00 C ATOM 859 NE ARG A 58 -3.410 1.294 2.933 1.00 0.00 N ATOM 860 CZ ARG A 58 -3.455 0.953 4.260 1.00 0.00 C ATOM 861 NH1 ARG A 58 -4.049 1.758 5.190 1.00 0.00 N ATOM 862 NH2 ARG A 58 -2.895 -0.227 4.663 1.00 0.00 N ATOM 0 H ARG A 58 -4.606 2.878 -1.312 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.929 3.211 -1.517 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.019 0.965 0.200 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -1.682 2.047 0.534 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -3.450 3.920 0.697 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -4.645 2.637 0.722 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -2.503 3.224 2.800 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.243 3.260 3.007 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.361 0.559 2.228 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.475 2.640 4.904 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -4.067 1.477 6.170 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.451 -0.841 3.980 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.921 -0.494 5.647 1.00 0.00 H new ATOM 876 N TYR A 59 -3.111 0.282 -2.570 1.00 0.00 N ATOM 877 CA TYR A 59 -2.838 -0.983 -3.237 1.00 0.00 C ATOM 878 C TYR A 59 -2.294 -0.686 -4.619 1.00 0.00 C ATOM 879 O TYR A 59 -1.346 -1.324 -5.071 1.00 0.00 O ATOM 880 CB TYR A 59 -4.090 -1.897 -3.309 1.00 0.00 C ATOM 881 CG TYR A 59 -3.822 -3.271 -3.912 1.00 0.00 C ATOM 882 CD1 TYR A 59 -2.803 -4.109 -3.412 1.00 0.00 C ATOM 883 CD2 TYR A 59 -4.596 -3.729 -4.995 1.00 0.00 C ATOM 884 CE1 TYR A 59 -2.565 -5.367 -3.982 1.00 0.00 C ATOM 885 CE2 TYR A 59 -4.366 -4.990 -5.558 1.00 0.00 C ATOM 886 CZ TYR A 59 -3.352 -5.812 -5.050 1.00 0.00 C ATOM 887 OH TYR A 59 -3.115 -7.084 -5.618 1.00 0.00 O ATOM 0 H TYR A 59 -4.106 0.496 -2.507 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.100 -1.536 -2.655 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.492 -2.025 -2.304 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.859 -1.397 -3.898 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.199 -3.777 -2.580 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.377 -3.100 -5.396 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.774 -5.993 -3.597 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -4.971 -5.330 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.749 -7.239 -6.349 1.00 0.00 H new ATOM 897 N ARG A 60 -2.858 0.364 -5.272 1.00 0.00 N ATOM 898 CA ARG A 60 -2.498 0.888 -6.567 1.00 0.00 C ATOM 899 C ARG A 60 -1.128 1.518 -6.516 1.00 0.00 C ATOM 900 O ARG A 60 -0.329 1.346 -7.431 1.00 0.00 O ATOM 901 CB ARG A 60 -3.576 1.900 -7.019 1.00 0.00 C ATOM 902 CG ARG A 60 -3.356 2.746 -8.291 1.00 0.00 C ATOM 903 CD ARG A 60 -3.588 2.040 -9.638 1.00 0.00 C ATOM 904 NE ARG A 60 -2.489 1.041 -9.894 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.540 0.163 -10.946 1.00 0.00 C ATOM 906 NH1 ARG A 60 -3.713 -0.149 -11.573 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.380 -0.415 -11.380 1.00 0.00 N ATOM 0 H ARG A 60 -3.629 0.887 -4.856 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.454 0.079 -7.296 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -4.504 1.345 -7.155 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -3.737 2.593 -6.193 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.016 3.612 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.334 3.124 -8.276 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -4.554 1.536 -9.632 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -3.617 2.775 -10.443 1.00 0.00 H new ATOM 0 HE ARG A 60 -1.685 1.017 -9.267 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.587 0.276 -11.261 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -3.715 -0.806 -12.353 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -0.496 -0.191 -10.923 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -1.398 -1.071 -12.161 1.00 0.00 H new ATOM 921 N LYS A 61 -0.849 2.238 -5.402 1.00 0.00 N ATOM 922 CA LYS A 61 0.322 3.031 -5.133 1.00 0.00 C ATOM 923 C LYS A 61 1.546 2.195 -4.911 1.00 0.00 C ATOM 924 O LYS A 61 2.583 2.435 -5.524 1.00 0.00 O ATOM 925 CB LYS A 61 0.031 3.988 -3.960 1.00 0.00 C ATOM 926 CG LYS A 61 1.112 5.021 -3.609 1.00 0.00 C ATOM 927 CD LYS A 61 1.051 6.346 -4.394 1.00 0.00 C ATOM 928 CE LYS A 61 1.238 6.216 -5.914 1.00 0.00 C ATOM 929 NZ LYS A 61 1.284 7.532 -6.550 1.00 0.00 N ATOM 0 H LYS A 61 -1.505 2.265 -4.621 1.00 0.00 H new ATOM 0 HA LYS A 61 0.549 3.628 -6.016 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.890 4.526 -4.184 1.00 0.00 H new ATOM 0 HB3 LYS A 61 -0.160 3.385 -3.072 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.041 5.247 -2.545 1.00 0.00 H new ATOM 0 HG3 LYS A 61 2.089 4.567 -3.774 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.088 6.819 -4.202 1.00 0.00 H new ATOM 0 HD3 LYS A 61 1.819 7.015 -4.006 1.00 0.00 H new ATOM 0 HE2 LYS A 61 2.159 5.673 -6.126 1.00 0.00 H new ATOM 0 HE3 LYS A 61 0.420 5.632 -6.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.411 7.418 -7.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.394 8.038 -6.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 2.080 8.078 -6.162 1.00 0.00 H new ATOM 943 N CYS A 62 1.413 1.158 -4.052 1.00 0.00 N ATOM 944 CA CYS A 62 2.444 0.203 -3.694 1.00 0.00 C ATOM 945 C CYS A 62 2.857 -0.644 -4.885 1.00 0.00 C ATOM 946 O CYS A 62 4.038 -0.926 -5.071 1.00 0.00 O ATOM 947 CB CYS A 62 2.117 -0.612 -2.410 1.00 0.00 C ATOM 948 SG CYS A 62 0.854 -1.928 -2.538 1.00 0.00 S ATOM 0 H CYS A 62 0.531 0.970 -3.575 1.00 0.00 H new ATOM 0 HA CYS A 62 3.327 0.778 -3.414 1.00 0.00 H new ATOM 0 HB2 CYS A 62 3.042 -1.068 -2.057 1.00 0.00 H new ATOM 0 HB3 CYS A 62 1.794 0.089 -1.641 1.00 0.00 H new ATOM 0 HG CYS A 62 1.429 -3.091 -2.455 1.00 0.00 H new ATOM 954 N LEU A 63 1.868 -0.986 -5.762 1.00 0.00 N ATOM 955 CA LEU A 63 2.029 -1.733 -6.997 1.00 0.00 C ATOM 956 C LEU A 63 2.782 -0.905 -8.006 1.00 0.00 C ATOM 957 O LEU A 63 3.672 -1.418 -8.684 1.00 0.00 O ATOM 958 CB LEU A 63 0.698 -2.210 -7.624 1.00 0.00 C ATOM 959 CG LEU A 63 0.102 -3.483 -6.977 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.346 -3.713 -7.449 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.968 -4.731 -7.242 1.00 0.00 C ATOM 0 H LEU A 63 0.896 -0.724 -5.596 1.00 0.00 H new ATOM 0 HA LEU A 63 2.589 -2.629 -6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.033 -1.404 -7.550 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.858 -2.399 -8.686 1.00 0.00 H new ATOM 0 HG LEU A 63 0.094 -3.320 -5.899 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -1.743 -4.614 -6.980 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -1.960 -2.857 -7.169 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.361 -3.831 -8.532 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.510 -5.599 -6.769 1.00 0.00 H new ATOM 0 HD22 LEU A 63 1.043 -4.901 -8.316 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.965 -4.577 -6.829 1.00 0.00 H new ATOM 973 N GLN A 64 2.465 0.425 -8.074 1.00 0.00 N ATOM 974 CA GLN A 64 3.082 1.415 -8.937 1.00 0.00 C ATOM 975 C GLN A 64 4.542 1.599 -8.586 1.00 0.00 C ATOM 976 O GLN A 64 5.391 1.785 -9.457 1.00 0.00 O ATOM 977 CB GLN A 64 2.309 2.757 -8.885 1.00 0.00 C ATOM 978 CG GLN A 64 2.459 3.696 -10.104 1.00 0.00 C ATOM 979 CD GLN A 64 3.728 4.560 -10.043 1.00 0.00 C ATOM 980 OE1 GLN A 64 3.958 5.269 -9.056 1.00 0.00 O ATOM 981 NE2 GLN A 64 4.559 4.491 -11.128 1.00 0.00 N ATOM 0 H GLN A 64 1.733 0.828 -7.489 1.00 0.00 H new ATOM 0 HA GLN A 64 3.033 1.051 -9.963 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.250 2.534 -8.756 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.631 3.300 -7.996 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.476 3.099 -11.016 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.586 4.346 -10.165 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.320 3.889 -11.916 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.417 5.042 -11.149 1.00 0.00 H new ATOM 990 N ALA A 65 4.836 1.471 -7.267 1.00 0.00 N ATOM 991 CA ALA A 65 6.137 1.596 -6.639 1.00 0.00 C ATOM 992 C ALA A 65 7.066 0.484 -7.046 1.00 0.00 C ATOM 993 O ALA A 65 8.254 0.709 -7.274 1.00 0.00 O ATOM 994 CB ALA A 65 6.075 1.756 -5.114 1.00 0.00 C ATOM 0 H ALA A 65 4.107 1.264 -6.584 1.00 0.00 H new ATOM 0 HA ALA A 65 6.552 2.531 -7.015 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.086 1.844 -4.716 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.508 2.653 -4.865 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.587 0.885 -4.676 1.00 0.00 H new ATOM 1000 N GLY A 66 6.505 -0.740 -7.156 1.00 0.00 N ATOM 1001 CA GLY A 66 7.195 -1.912 -7.647 1.00 0.00 C ATOM 1002 C GLY A 66 7.165 -3.043 -6.672 1.00 0.00 C ATOM 1003 O GLY A 66 8.057 -3.891 -6.709 1.00 0.00 O ATOM 0 H GLY A 66 5.537 -0.925 -6.895 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.739 -2.232 -8.584 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.231 -1.654 -7.868 1.00 0.00 H new ATOM 1007 N MET A 67 6.118 -3.118 -5.795 1.00 0.00 N ATOM 1008 CA MET A 67 5.960 -4.160 -4.770 1.00 0.00 C ATOM 1009 C MET A 67 5.766 -5.511 -5.425 1.00 0.00 C ATOM 1010 O MET A 67 5.183 -5.589 -6.508 1.00 0.00 O ATOM 1011 CB MET A 67 4.777 -3.933 -3.799 1.00 0.00 C ATOM 1012 CG MET A 67 5.046 -2.931 -2.658 1.00 0.00 C ATOM 1013 SD MET A 67 6.164 -3.590 -1.369 1.00 0.00 S ATOM 1014 CE MET A 67 5.003 -4.474 -0.287 1.00 0.00 C ATOM 0 H MET A 67 5.357 -2.439 -5.793 1.00 0.00 H new ATOM 0 HA MET A 67 6.878 -4.117 -4.183 1.00 0.00 H new ATOM 0 HB2 MET A 67 3.919 -3.583 -4.373 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.498 -4.891 -3.361 1.00 0.00 H new ATOM 0 HG2 MET A 67 5.479 -2.022 -3.076 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.098 -2.650 -2.199 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.482 -4.678 0.671 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.117 -3.860 -0.126 1.00 0.00 H new ATOM 0 HE3 MET A 67 4.713 -5.414 -0.756 1.00 0.00 H new ATOM 1024 N ASN A 68 6.268 -6.604 -4.793 1.00 0.00 N ATOM 1025 CA ASN A 68 6.154 -7.914 -5.402 1.00 0.00 C ATOM 1026 C ASN A 68 6.395 -8.876 -4.295 1.00 0.00 C ATOM 1027 O ASN A 68 7.407 -8.812 -3.608 1.00 0.00 O ATOM 1028 CB ASN A 68 7.155 -8.175 -6.575 1.00 0.00 C ATOM 1029 CG ASN A 68 6.695 -9.261 -7.567 1.00 0.00 C ATOM 1030 OD1 ASN A 68 7.382 -10.268 -7.767 1.00 0.00 O ATOM 1031 ND2 ASN A 68 5.511 -9.024 -8.197 1.00 0.00 N ATOM 0 H ASN A 68 6.739 -6.587 -3.888 1.00 0.00 H new ATOM 0 HA ASN A 68 5.172 -8.014 -5.865 1.00 0.00 H new ATOM 0 HB2 ASN A 68 7.310 -7.244 -7.119 1.00 0.00 H new ATOM 0 HB3 ASN A 68 8.119 -8.465 -6.157 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.150 -9.696 -8.874 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.986 -8.174 -7.992 1.00 0.00 H new ATOM 1038 N LEU A 69 5.463 -9.835 -4.120 1.00 0.00 N ATOM 1039 CA LEU A 69 5.450 -10.815 -3.053 1.00 0.00 C ATOM 1040 C LEU A 69 6.141 -12.084 -3.539 1.00 0.00 C ATOM 1041 O LEU A 69 5.899 -13.200 -3.085 1.00 0.00 O ATOM 1042 CB LEU A 69 3.996 -10.909 -2.499 1.00 0.00 C ATOM 1043 CG LEU A 69 3.493 -12.175 -1.768 1.00 0.00 C ATOM 1044 CD1 LEU A 69 4.237 -12.414 -0.448 1.00 0.00 C ATOM 1045 CD2 LEU A 69 1.969 -12.107 -1.555 1.00 0.00 C ATOM 0 H LEU A 69 4.671 -9.939 -4.755 1.00 0.00 H new ATOM 0 HA LEU A 69 6.039 -10.544 -2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 69 3.863 -10.073 -1.813 1.00 0.00 H new ATOM 0 HB3 LEU A 69 3.324 -10.741 -3.341 1.00 0.00 H new ATOM 0 HG LEU A 69 3.710 -13.032 -2.405 1.00 0.00 H new ATOM 0 HD11 LEU A 69 3.850 -13.314 0.030 1.00 0.00 H new ATOM 0 HD12 LEU A 69 5.301 -12.538 -0.648 1.00 0.00 H new ATOM 0 HD13 LEU A 69 4.089 -11.560 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.633 -13.007 -1.039 1.00 0.00 H new ATOM 0 HD22 LEU A 69 1.724 -11.231 -0.954 1.00 0.00 H new ATOM 0 HD23 LEU A 69 1.469 -12.035 -2.521 1.00 0.00 H new ATOM 1057 N GLU A 70 7.083 -11.878 -4.484 1.00 0.00 N ATOM 1058 CA GLU A 70 7.964 -12.834 -5.098 1.00 0.00 C ATOM 1059 C GLU A 70 9.102 -11.992 -5.622 1.00 0.00 C ATOM 1060 O GLU A 70 9.651 -12.231 -6.698 1.00 0.00 O ATOM 1061 CB GLU A 70 7.351 -13.654 -6.261 1.00 0.00 C ATOM 1062 CG GLU A 70 6.137 -14.528 -5.876 1.00 0.00 C ATOM 1063 CD GLU A 70 5.693 -15.399 -7.056 1.00 0.00 C ATOM 1064 OE1 GLU A 70 5.247 -14.825 -8.086 1.00 0.00 O ATOM 1065 OE2 GLU A 70 5.789 -16.650 -6.939 1.00 0.00 O ATOM 0 H GLU A 70 7.243 -10.942 -4.856 1.00 0.00 H new ATOM 0 HA GLU A 70 8.242 -13.592 -4.365 1.00 0.00 H new ATOM 0 HB2 GLU A 70 7.048 -12.966 -7.050 1.00 0.00 H new ATOM 0 HB3 GLU A 70 8.125 -14.298 -6.679 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.395 -15.162 -5.028 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.312 -13.891 -5.558 1.00 0.00 H new ATOM 1072 N ALA A 71 9.475 -10.967 -4.822 1.00 0.00 N ATOM 1073 CA ALA A 71 10.495 -9.981 -5.101 1.00 0.00 C ATOM 1074 C ALA A 71 11.834 -10.468 -4.591 1.00 0.00 C ATOM 1075 O ALA A 71 11.940 -11.534 -3.985 1.00 0.00 O ATOM 1076 CB ALA A 71 10.192 -8.656 -4.375 1.00 0.00 C ATOM 0 H ALA A 71 9.034 -10.814 -3.915 1.00 0.00 H new ATOM 0 HA ALA A 71 10.514 -9.826 -6.180 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.974 -7.930 -4.601 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.230 -8.269 -4.711 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.158 -8.830 -3.300 1.00 0.00 H new ATOM 1082 N ARG A 72 12.886 -9.649 -4.835 1.00 0.00 N ATOM 1083 CA ARG A 72 14.245 -9.861 -4.400 1.00 0.00 C ATOM 1084 C ARG A 72 14.679 -8.503 -3.819 1.00 0.00 C ATOM 1085 O ARG A 72 14.677 -7.496 -4.578 1.00 0.00 O ATOM 1086 CB ARG A 72 15.205 -10.275 -5.540 1.00 0.00 C ATOM 1087 CG ARG A 72 15.137 -11.772 -5.894 1.00 0.00 C ATOM 1088 CD ARG A 72 16.072 -12.145 -7.063 1.00 0.00 C ATOM 1089 NE ARG A 72 16.273 -13.642 -7.139 1.00 0.00 N ATOM 1090 CZ ARG A 72 17.063 -14.329 -6.249 1.00 0.00 C ATOM 1091 NH1 ARG A 72 18.034 -13.705 -5.518 1.00 0.00 N ATOM 1092 NH2 ARG A 72 16.883 -15.675 -6.105 1.00 0.00 N ATOM 1093 OXT ARG A 72 15.011 -8.461 -2.604 1.00 0.00 O ATOM 0 H ARG A 72 12.780 -8.786 -5.369 1.00 0.00 H new ATOM 0 HA ARG A 72 14.288 -10.683 -3.686 1.00 0.00 H new ATOM 0 HB2 ARG A 72 14.972 -9.690 -6.429 1.00 0.00 H new ATOM 0 HB3 ARG A 72 16.226 -10.025 -5.252 1.00 0.00 H new ATOM 0 HG2 ARG A 72 15.404 -12.362 -5.017 1.00 0.00 H new ATOM 0 HG3 ARG A 72 14.112 -12.034 -6.155 1.00 0.00 H new ATOM 0 HD2 ARG A 72 15.650 -11.783 -8.001 1.00 0.00 H new ATOM 0 HD3 ARG A 72 17.035 -11.651 -6.935 1.00 0.00 H new ATOM 0 HE ARG A 72 15.804 -14.162 -7.880 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.188 -12.702 -5.625 1.00 0.00 H new ATOM 0 HH12 ARG A 72 18.605 -14.242 -4.865 1.00 0.00 H new ATOM 0 HH21 ARG A 72 16.170 -16.156 -6.654 1.00 0.00 H new ATOM 0 HH22 ARG A 72 17.461 -16.200 -5.449 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.624 2.422 4.421 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.725 6.652 -3.228 1.00 0.00 ZN