USER MOD reduce.3.24.130724 H: found=0, std=0, add=552, rem=0, adj=13 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 Single : A 1 LEU N :NH3+ -140:sc=-0.000404 (180deg=-0.397) 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= 0.0346 USER MOD Single : A 13 HIS : no HD1:sc= -0.515 X(o=-0.52,f=-0.11) USER MOD Single : A 14 TYR OH : rot 70:sc=-0.00281 USER MOD Single : A 18 THR OG1 : rot -69:sc= 0.00552 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 GLN : amide:sc= -0.17 X(o=-0.17,f=-0.11) USER MOD Single : A 34 HIS : no HE2:sc= -0.759 K(o=-0.76,f=-4!) USER MOD Single : A 35 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 TYR OH : rot 89:sc= 0.0355 USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=-0.0071) 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= -0.464 X(o=-0.46,f=0) USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ -124:sc= -0.0113 (180deg=-1.63!) USER MOD Single : A 62 CYS SG : rot -7:sc= 0.656 USER MOD Single : A 64 GLN : amide:sc= 0 X(o=0,f=-0.018) USER MOD Single : A 67 MET CE :methyl -159:sc= -0.765 (180deg=-1.83) USER MOD Single : A 68 ASN : amide:sc=-0.00891 K(o=-0.0089,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.860 5.913 3.391 1.00 0.00 N ATOM 2 CA LEU A 1 10.489 6.333 3.098 1.00 0.00 C ATOM 3 C LEU A 1 9.752 5.268 2.338 1.00 0.00 C ATOM 4 O LEU A 1 10.268 4.710 1.371 1.00 0.00 O ATOM 5 CB LEU A 1 10.468 7.625 2.235 1.00 0.00 C ATOM 6 CG LEU A 1 10.976 8.912 2.930 1.00 0.00 C ATOM 7 CD1 LEU A 1 11.154 10.054 1.912 1.00 0.00 C ATOM 8 CD2 LEU A 1 10.073 9.345 4.099 1.00 0.00 C ATOM 0 H1 LEU A 1 12.117 6.213 4.353 1.00 0.00 H new ATOM 0 H2 LEU A 1 11.928 4.878 3.321 1.00 0.00 H new ATOM 0 H3 LEU A 1 12.511 6.350 2.707 1.00 0.00 H new ATOM 0 HA LEU A 1 10.007 6.517 4.058 1.00 0.00 H new ATOM 0 HB2 LEU A 1 11.073 7.454 1.344 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.446 7.797 1.898 1.00 0.00 H new ATOM 0 HG LEU A 1 11.951 8.678 3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 1 11.512 10.947 2.425 1.00 0.00 H new ATOM 0 HD12 LEU A 1 11.879 9.756 1.154 1.00 0.00 H new ATOM 0 HD13 LEU A 1 10.198 10.268 1.435 1.00 0.00 H new ATOM 0 HD21 LEU A 1 10.474 10.252 4.552 1.00 0.00 H new ATOM 0 HD22 LEU A 1 9.066 9.538 3.729 1.00 0.00 H new ATOM 0 HD23 LEU A 1 10.039 8.552 4.846 1.00 0.00 H new ATOM 22 N CYS A 2 8.464 5.029 2.737 1.00 0.00 N ATOM 23 CA CYS A 2 7.456 4.146 2.194 1.00 0.00 C ATOM 24 C CYS A 2 7.185 4.719 0.839 1.00 0.00 C ATOM 25 O CYS A 2 7.137 5.937 0.698 1.00 0.00 O ATOM 26 CB CYS A 2 6.190 4.078 3.100 1.00 0.00 C ATOM 27 SG CYS A 2 4.851 3.036 2.429 1.00 0.00 S ATOM 0 H CYS A 2 8.094 5.526 3.547 1.00 0.00 H new ATOM 0 HA CYS A 2 7.780 3.107 2.138 1.00 0.00 H new ATOM 0 HB2 CYS A 2 6.477 3.696 4.080 1.00 0.00 H new ATOM 0 HB3 CYS A 2 5.809 5.088 3.251 1.00 0.00 H new ATOM 32 N LEU A 3 7.025 3.859 -0.187 1.00 0.00 N ATOM 33 CA LEU A 3 6.864 4.328 -1.538 1.00 0.00 C ATOM 34 C LEU A 3 5.478 4.077 -2.041 1.00 0.00 C ATOM 35 O LEU A 3 5.218 3.994 -3.241 1.00 0.00 O ATOM 36 CB LEU A 3 7.880 3.641 -2.452 1.00 0.00 C ATOM 37 CG LEU A 3 9.331 4.077 -2.145 1.00 0.00 C ATOM 38 CD1 LEU A 3 10.374 3.166 -2.808 1.00 0.00 C ATOM 39 CD2 LEU A 3 9.594 5.555 -2.498 1.00 0.00 C ATOM 0 H LEU A 3 7.007 2.844 -0.085 1.00 0.00 H new ATOM 0 HA LEU A 3 7.036 5.404 -1.544 1.00 0.00 H new ATOM 0 HB2 LEU A 3 7.796 2.560 -2.338 1.00 0.00 H new ATOM 0 HB3 LEU A 3 7.645 3.872 -3.491 1.00 0.00 H new ATOM 0 HG LEU A 3 9.442 3.973 -1.066 1.00 0.00 H new ATOM 0 HD11 LEU A 3 11.375 3.518 -2.559 1.00 0.00 H new ATOM 0 HD12 LEU A 3 10.248 2.145 -2.447 1.00 0.00 H new ATOM 0 HD13 LEU A 3 10.240 3.187 -3.890 1.00 0.00 H new ATOM 0 HD21 LEU A 3 10.628 5.807 -2.262 1.00 0.00 H new ATOM 0 HD22 LEU A 3 9.416 5.712 -3.562 1.00 0.00 H new ATOM 0 HD23 LEU A 3 8.924 6.192 -1.920 1.00 0.00 H new ATOM 51 N VAL A 4 4.558 3.979 -1.075 1.00 0.00 N ATOM 52 CA VAL A 4 3.163 3.686 -1.272 1.00 0.00 C ATOM 53 C VAL A 4 2.323 4.764 -0.678 1.00 0.00 C ATOM 54 O VAL A 4 1.516 5.375 -1.375 1.00 0.00 O ATOM 55 CB VAL A 4 2.771 2.311 -0.675 1.00 0.00 C ATOM 56 CG1 VAL A 4 1.311 1.912 -0.945 1.00 0.00 C ATOM 57 CG2 VAL A 4 3.787 1.235 -1.080 1.00 0.00 C ATOM 0 H VAL A 4 4.794 4.111 -0.091 1.00 0.00 H new ATOM 0 HA VAL A 4 2.985 3.640 -2.346 1.00 0.00 H new ATOM 0 HB VAL A 4 2.816 2.408 0.410 1.00 0.00 H new ATOM 0 HG11 VAL A 4 1.111 0.939 -0.497 1.00 0.00 H new ATOM 0 HG12 VAL A 4 0.644 2.656 -0.509 1.00 0.00 H new ATOM 0 HG13 VAL A 4 1.141 1.858 -2.020 1.00 0.00 H new ATOM 0 HG21 VAL A 4 3.493 0.277 -0.651 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.815 1.152 -2.166 1.00 0.00 H new ATOM 0 HG23 VAL A 4 4.775 1.510 -0.711 1.00 0.00 H new ATOM 67 N CYS A 5 2.473 4.978 0.644 1.00 0.00 N ATOM 68 CA CYS A 5 1.703 5.954 1.383 1.00 0.00 C ATOM 69 C CYS A 5 2.636 7.037 1.843 1.00 0.00 C ATOM 70 O CYS A 5 2.302 7.845 2.704 1.00 0.00 O ATOM 71 CB CYS A 5 0.815 5.365 2.519 1.00 0.00 C ATOM 72 SG CYS A 5 1.650 4.554 3.935 1.00 0.00 S ATOM 0 H CYS A 5 3.142 4.465 1.219 1.00 0.00 H new ATOM 0 HA CYS A 5 0.956 6.378 0.712 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.199 6.173 2.913 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.138 4.638 2.070 1.00 0.00 H new ATOM 77 N SER A 6 3.850 7.068 1.242 1.00 0.00 N ATOM 78 CA SER A 6 4.852 8.130 1.361 1.00 0.00 C ATOM 79 C SER A 6 5.091 8.624 2.774 1.00 0.00 C ATOM 80 O SER A 6 4.996 9.811 3.086 1.00 0.00 O ATOM 81 CB SER A 6 4.580 9.271 0.360 1.00 0.00 C ATOM 82 OG SER A 6 3.970 8.798 -0.838 1.00 0.00 O ATOM 0 H SER A 6 4.163 6.311 0.634 1.00 0.00 H new ATOM 0 HA SER A 6 5.802 7.669 1.088 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.934 10.015 0.826 1.00 0.00 H new ATOM 0 HB3 SER A 6 5.518 9.770 0.116 1.00 0.00 H new ATOM 0 HG SER A 6 3.813 9.551 -1.445 1.00 0.00 H new ATOM 88 N ASP A 7 5.351 7.634 3.649 1.00 0.00 N ATOM 89 CA ASP A 7 5.426 7.752 5.088 1.00 0.00 C ATOM 90 C ASP A 7 6.824 7.315 5.431 1.00 0.00 C ATOM 91 O ASP A 7 7.564 6.898 4.552 1.00 0.00 O ATOM 92 CB ASP A 7 4.339 6.777 5.649 1.00 0.00 C ATOM 93 CG ASP A 7 4.088 6.730 7.168 1.00 0.00 C ATOM 94 OD1 ASP A 7 4.502 7.671 7.894 1.00 0.00 O ATOM 95 OD2 ASP A 7 3.450 5.737 7.611 1.00 0.00 O ATOM 0 H ASP A 7 5.522 6.679 3.334 1.00 0.00 H new ATOM 0 HA ASP A 7 5.244 8.746 5.496 1.00 0.00 H new ATOM 0 HB2 ASP A 7 3.394 7.026 5.167 1.00 0.00 H new ATOM 0 HB3 ASP A 7 4.604 5.770 5.328 1.00 0.00 H new ATOM 100 N GLU A 8 7.214 7.355 6.731 1.00 0.00 N ATOM 101 CA GLU A 8 8.504 6.945 7.253 1.00 0.00 C ATOM 102 C GLU A 8 8.560 5.428 7.185 1.00 0.00 C ATOM 103 O GLU A 8 7.775 4.764 7.862 1.00 0.00 O ATOM 104 CB GLU A 8 8.827 7.476 8.683 1.00 0.00 C ATOM 105 CG GLU A 8 7.830 8.492 9.306 1.00 0.00 C ATOM 106 CD GLU A 8 7.839 9.864 8.613 1.00 0.00 C ATOM 107 OE1 GLU A 8 8.909 10.529 8.622 1.00 0.00 O ATOM 108 OE2 GLU A 8 6.772 10.261 8.074 1.00 0.00 O ATOM 0 H GLU A 8 6.592 7.694 7.465 1.00 0.00 H new ATOM 0 HA GLU A 8 9.281 7.397 6.636 1.00 0.00 H new ATOM 0 HB2 GLU A 8 8.899 6.619 9.353 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.812 7.943 8.655 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.823 8.077 9.259 1.00 0.00 H new ATOM 0 HG3 GLU A 8 8.071 8.625 10.361 1.00 0.00 H new ATOM 115 N ALA A 9 9.473 4.849 6.355 1.00 0.00 N ATOM 116 CA ALA A 9 9.557 3.410 6.160 1.00 0.00 C ATOM 117 C ALA A 9 10.425 2.756 7.195 1.00 0.00 C ATOM 118 O ALA A 9 11.329 3.365 7.765 1.00 0.00 O ATOM 119 CB ALA A 9 10.042 2.979 4.762 1.00 0.00 C ATOM 0 H ALA A 9 10.157 5.380 5.816 1.00 0.00 H new ATOM 0 HA ALA A 9 8.526 3.072 6.263 1.00 0.00 H new ATOM 0 HB1 ALA A 9 10.074 1.891 4.707 1.00 0.00 H new ATOM 0 HB2 ALA A 9 9.356 3.361 4.005 1.00 0.00 H new ATOM 0 HB3 ALA A 9 11.039 3.380 4.583 1.00 0.00 H new ATOM 125 N SER A 10 10.129 1.450 7.425 1.00 0.00 N ATOM 126 CA SER A 10 10.795 0.562 8.348 1.00 0.00 C ATOM 127 C SER A 10 11.902 -0.128 7.582 1.00 0.00 C ATOM 128 O SER A 10 13.006 -0.307 8.094 1.00 0.00 O ATOM 129 CB SER A 10 9.800 -0.475 8.931 1.00 0.00 C ATOM 130 OG SER A 10 10.359 -1.239 9.994 1.00 0.00 O ATOM 0 H SER A 10 9.369 0.984 6.929 1.00 0.00 H new ATOM 0 HA SER A 10 11.202 1.120 9.191 1.00 0.00 H new ATOM 0 HB2 SER A 10 8.911 0.043 9.291 1.00 0.00 H new ATOM 0 HB3 SER A 10 9.477 -1.148 8.137 1.00 0.00 H new ATOM 0 HG SER A 10 9.691 -1.875 10.326 1.00 0.00 H new ATOM 136 N GLY A 11 11.600 -0.522 6.323 1.00 0.00 N ATOM 137 CA GLY A 11 12.528 -1.183 5.445 1.00 0.00 C ATOM 138 C GLY A 11 11.698 -1.896 4.427 1.00 0.00 C ATOM 139 O GLY A 11 10.472 -1.932 4.526 1.00 0.00 O ATOM 0 H GLY A 11 10.682 -0.376 5.904 1.00 0.00 H new ATOM 0 HA2 GLY A 11 13.195 -0.464 4.970 1.00 0.00 H new ATOM 0 HA3 GLY A 11 13.155 -1.883 5.996 1.00 0.00 H new ATOM 143 N CYS A 12 12.366 -2.517 3.418 1.00 0.00 N ATOM 144 CA CYS A 12 11.730 -3.283 2.355 1.00 0.00 C ATOM 145 C CYS A 12 11.325 -4.627 2.918 1.00 0.00 C ATOM 146 O CYS A 12 11.955 -5.097 3.866 1.00 0.00 O ATOM 147 CB CYS A 12 12.613 -3.439 1.084 1.00 0.00 C ATOM 148 SG CYS A 12 14.295 -4.106 1.384 1.00 0.00 S ATOM 0 H CYS A 12 13.382 -2.488 3.335 1.00 0.00 H new ATOM 0 HA CYS A 12 10.853 -2.732 2.016 1.00 0.00 H new ATOM 0 HB2 CYS A 12 12.099 -4.095 0.381 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.705 -2.465 0.603 1.00 0.00 H new ATOM 0 HG CYS A 12 14.935 -4.193 0.256 1.00 0.00 H new ATOM 154 N HIS A 13 10.255 -5.261 2.369 1.00 0.00 N ATOM 155 CA HIS A 13 9.777 -6.505 2.961 1.00 0.00 C ATOM 156 C HIS A 13 9.456 -7.527 1.923 1.00 0.00 C ATOM 157 O HIS A 13 9.501 -8.722 2.215 1.00 0.00 O ATOM 158 CB HIS A 13 8.518 -6.311 3.842 1.00 0.00 C ATOM 159 CG HIS A 13 8.770 -5.551 5.125 1.00 0.00 C ATOM 160 ND1 HIS A 13 9.456 -6.162 6.164 1.00 0.00 N ATOM 161 CD2 HIS A 13 8.338 -4.316 5.507 1.00 0.00 C ATOM 162 CE1 HIS A 13 9.418 -5.287 7.152 1.00 0.00 C ATOM 163 NE2 HIS A 13 8.753 -4.154 6.811 1.00 0.00 N ATOM 0 H HIS A 13 9.737 -4.936 1.553 1.00 0.00 H new ATOM 0 HA HIS A 13 10.600 -6.850 3.587 1.00 0.00 H new ATOM 0 HB2 HIS A 13 7.761 -5.783 3.263 1.00 0.00 H new ATOM 0 HB3 HIS A 13 8.106 -7.290 4.088 1.00 0.00 H new ATOM 0 HD2 HIS A 13 7.783 -3.608 4.909 1.00 0.00 H new ATOM 0 HE1 HIS A 13 9.865 -5.454 8.121 1.00 0.00 H new ATOM 0 HE2 HIS A 13 8.592 -3.340 7.405 1.00 0.00 H new ATOM 171 N TYR A 14 9.105 -7.092 0.693 1.00 0.00 N ATOM 172 CA TYR A 14 8.695 -7.954 -0.374 1.00 0.00 C ATOM 173 C TYR A 14 9.637 -7.515 -1.442 1.00 0.00 C ATOM 174 O TYR A 14 10.794 -7.936 -1.422 1.00 0.00 O ATOM 175 CB TYR A 14 7.158 -7.860 -0.608 1.00 0.00 C ATOM 176 CG TYR A 14 6.447 -8.464 0.603 1.00 0.00 C ATOM 177 CD1 TYR A 14 6.727 -9.775 1.058 1.00 0.00 C ATOM 178 CD2 TYR A 14 5.519 -7.722 1.339 1.00 0.00 C ATOM 179 CE1 TYR A 14 6.201 -10.269 2.257 1.00 0.00 C ATOM 180 CE2 TYR A 14 4.996 -8.204 2.538 1.00 0.00 C ATOM 181 CZ TYR A 14 5.353 -9.464 3.019 1.00 0.00 C ATOM 182 OH TYR A 14 4.857 -9.904 4.264 1.00 0.00 O ATOM 0 H TYR A 14 9.108 -6.105 0.436 1.00 0.00 H new ATOM 0 HA TYR A 14 8.772 -9.033 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 14 6.858 -6.821 -0.744 1.00 0.00 H new ATOM 0 HB3 TYR A 14 6.879 -8.394 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 14 7.365 -10.412 0.463 1.00 0.00 H new ATOM 0 HD2 TYR A 14 5.201 -6.757 0.972 1.00 0.00 H new ATOM 0 HE1 TYR A 14 6.449 -11.266 2.590 1.00 0.00 H new ATOM 0 HE2 TYR A 14 4.306 -7.594 3.102 1.00 0.00 H new ATOM 0 HH TYR A 14 5.588 -9.930 4.916 1.00 0.00 H new ATOM 192 N GLY A 15 9.208 -6.633 -2.361 1.00 0.00 N ATOM 193 CA GLY A 15 10.049 -6.159 -3.440 1.00 0.00 C ATOM 194 C GLY A 15 10.487 -4.730 -3.330 1.00 0.00 C ATOM 195 O GLY A 15 11.389 -4.335 -4.069 1.00 0.00 O ATOM 0 H GLY A 15 8.268 -6.238 -2.365 1.00 0.00 H new ATOM 0 HA2 GLY A 15 10.936 -6.791 -3.492 1.00 0.00 H new ATOM 0 HA3 GLY A 15 9.512 -6.286 -4.380 1.00 0.00 H new ATOM 199 N VAL A 16 9.891 -3.909 -2.421 1.00 0.00 N ATOM 200 CA VAL A 16 10.134 -2.472 -2.434 1.00 0.00 C ATOM 201 C VAL A 16 10.199 -1.996 -1.013 1.00 0.00 C ATOM 202 O VAL A 16 9.670 -2.633 -0.105 1.00 0.00 O ATOM 203 CB VAL A 16 9.017 -1.688 -3.196 1.00 0.00 C ATOM 204 CG1 VAL A 16 9.284 -0.202 -3.459 1.00 0.00 C ATOM 205 CG2 VAL A 16 8.646 -2.321 -4.542 1.00 0.00 C ATOM 0 H VAL A 16 9.254 -4.227 -1.691 1.00 0.00 H new ATOM 0 HA VAL A 16 11.071 -2.285 -2.958 1.00 0.00 H new ATOM 0 HB VAL A 16 8.196 -1.758 -2.483 1.00 0.00 H new ATOM 0 HG11 VAL A 16 8.438 0.231 -3.993 1.00 0.00 H new ATOM 0 HG12 VAL A 16 9.418 0.317 -2.510 1.00 0.00 H new ATOM 0 HG13 VAL A 16 10.186 -0.095 -4.061 1.00 0.00 H new ATOM 0 HG21 VAL A 16 7.866 -1.729 -5.020 1.00 0.00 H new ATOM 0 HG22 VAL A 16 9.525 -2.349 -5.185 1.00 0.00 H new ATOM 0 HG23 VAL A 16 8.283 -3.336 -4.379 1.00 0.00 H new ATOM 215 N LEU A 17 10.782 -0.778 -0.849 1.00 0.00 N ATOM 216 CA LEU A 17 10.933 -0.006 0.374 1.00 0.00 C ATOM 217 C LEU A 17 9.549 0.479 0.746 1.00 0.00 C ATOM 218 O LEU A 17 8.948 1.267 0.016 1.00 0.00 O ATOM 219 CB LEU A 17 11.918 1.178 0.207 1.00 0.00 C ATOM 220 CG LEU A 17 12.190 2.049 1.463 1.00 0.00 C ATOM 221 CD1 LEU A 17 12.716 1.240 2.661 1.00 0.00 C ATOM 222 CD2 LEU A 17 13.122 3.228 1.127 1.00 0.00 C ATOM 0 H LEU A 17 11.186 -0.287 -1.647 1.00 0.00 H new ATOM 0 HA LEU A 17 11.362 -0.626 1.161 1.00 0.00 H new ATOM 0 HB2 LEU A 17 12.871 0.780 -0.142 1.00 0.00 H new ATOM 0 HB3 LEU A 17 11.536 1.828 -0.580 1.00 0.00 H new ATOM 0 HG LEU A 17 11.225 2.451 1.773 1.00 0.00 H new ATOM 0 HD11 LEU A 17 12.885 1.908 3.505 1.00 0.00 H new ATOM 0 HD12 LEU A 17 11.983 0.483 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 17 13.653 0.755 2.389 1.00 0.00 H new ATOM 0 HD21 LEU A 17 13.296 3.822 2.025 1.00 0.00 H new ATOM 0 HD22 LEU A 17 14.073 2.846 0.755 1.00 0.00 H new ATOM 0 HD23 LEU A 17 12.658 3.852 0.363 1.00 0.00 H new ATOM 234 N THR A 18 9.019 -0.015 1.883 1.00 0.00 N ATOM 235 CA THR A 18 7.671 0.257 2.320 1.00 0.00 C ATOM 236 C THR A 18 7.729 0.499 3.781 1.00 0.00 C ATOM 237 O THR A 18 8.763 0.320 4.420 1.00 0.00 O ATOM 238 CB THR A 18 6.729 -0.981 2.111 1.00 0.00 C ATOM 239 OG1 THR A 18 7.416 -2.214 2.327 1.00 0.00 O ATOM 240 CG2 THR A 18 6.087 -1.001 0.729 1.00 0.00 C ATOM 0 H THR A 18 9.538 -0.620 2.519 1.00 0.00 H new ATOM 0 HA THR A 18 7.284 1.101 1.750 1.00 0.00 H new ATOM 0 HB THR A 18 5.940 -0.876 2.855 1.00 0.00 H new ATOM 0 HG1 THR A 18 8.068 -2.355 1.609 1.00 0.00 H new ATOM 0 HG21 THR A 18 5.446 -1.878 0.638 1.00 0.00 H new ATOM 0 HG22 THR A 18 5.490 -0.099 0.592 1.00 0.00 H new ATOM 0 HG23 THR A 18 6.865 -1.040 -0.033 1.00 0.00 H new ATOM 248 N CYS A 19 6.555 0.873 4.351 1.00 0.00 N ATOM 249 CA CYS A 19 6.422 1.116 5.771 1.00 0.00 C ATOM 250 C CYS A 19 6.200 -0.222 6.463 1.00 0.00 C ATOM 251 O CYS A 19 6.423 -1.286 5.884 1.00 0.00 O ATOM 252 CB CYS A 19 5.411 2.213 6.227 1.00 0.00 C ATOM 253 SG CYS A 19 3.639 1.985 5.845 1.00 0.00 S ATOM 0 H CYS A 19 5.692 1.008 3.825 1.00 0.00 H new ATOM 0 HA CYS A 19 7.360 1.575 6.085 1.00 0.00 H new ATOM 0 HB2 CYS A 19 5.505 2.321 7.308 1.00 0.00 H new ATOM 0 HB3 CYS A 19 5.726 3.158 5.784 1.00 0.00 H new ATOM 258 N GLY A 20 5.730 -0.187 7.730 1.00 0.00 N ATOM 259 CA GLY A 20 5.441 -1.363 8.525 1.00 0.00 C ATOM 260 C GLY A 20 4.113 -1.943 8.121 1.00 0.00 C ATOM 261 O GLY A 20 3.980 -3.154 7.969 1.00 0.00 O ATOM 0 H GLY A 20 5.543 0.686 8.223 1.00 0.00 H new ATOM 0 HA2 GLY A 20 6.228 -2.105 8.390 1.00 0.00 H new ATOM 0 HA3 GLY A 20 5.427 -1.102 9.583 1.00 0.00 H new ATOM 265 N SER A 21 3.119 -1.053 7.885 1.00 0.00 N ATOM 266 CA SER A 21 1.745 -1.387 7.553 1.00 0.00 C ATOM 267 C SER A 21 1.551 -1.876 6.138 1.00 0.00 C ATOM 268 O SER A 21 0.704 -2.738 5.926 1.00 0.00 O ATOM 269 CB SER A 21 0.776 -0.209 7.785 1.00 0.00 C ATOM 270 OG SER A 21 0.875 0.249 9.126 1.00 0.00 O ATOM 0 H SER A 21 3.277 -0.046 7.927 1.00 0.00 H new ATOM 0 HA SER A 21 1.514 -2.205 8.235 1.00 0.00 H new ATOM 0 HB2 SER A 21 1.008 0.604 7.097 1.00 0.00 H new ATOM 0 HB3 SER A 21 -0.246 -0.522 7.574 1.00 0.00 H new ATOM 0 HG SER A 21 0.257 0.998 9.262 1.00 0.00 H new ATOM 276 N CYS A 22 2.331 -1.354 5.140 1.00 0.00 N ATOM 277 CA CYS A 22 2.187 -1.652 3.713 1.00 0.00 C ATOM 278 C CYS A 22 2.582 -3.059 3.380 1.00 0.00 C ATOM 279 O CYS A 22 2.117 -3.619 2.393 1.00 0.00 O ATOM 280 CB CYS A 22 2.802 -0.630 2.738 1.00 0.00 C ATOM 281 SG CYS A 22 1.792 0.897 2.734 1.00 0.00 S ATOM 0 H CYS A 22 3.090 -0.700 5.331 1.00 0.00 H new ATOM 0 HA CYS A 22 1.115 -1.551 3.545 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.826 -0.400 3.033 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.847 -1.051 1.734 1.00 0.00 H new ATOM 286 N LYS A 23 3.389 -3.670 4.278 1.00 0.00 N ATOM 287 CA LYS A 23 3.826 -5.046 4.279 1.00 0.00 C ATOM 288 C LYS A 23 2.622 -5.951 4.459 1.00 0.00 C ATOM 289 O LYS A 23 2.236 -6.717 3.580 1.00 0.00 O ATOM 290 CB LYS A 23 4.854 -5.311 5.415 1.00 0.00 C ATOM 291 CG LYS A 23 5.352 -6.763 5.602 1.00 0.00 C ATOM 292 CD LYS A 23 5.982 -7.020 6.983 1.00 0.00 C ATOM 293 CE LYS A 23 6.431 -8.477 7.175 1.00 0.00 C ATOM 294 NZ LYS A 23 6.908 -8.708 8.537 1.00 0.00 N ATOM 0 H LYS A 23 3.769 -3.156 5.073 1.00 0.00 H new ATOM 0 HA LYS A 23 4.314 -5.255 3.327 1.00 0.00 H new ATOM 0 HB2 LYS A 23 5.723 -4.678 5.237 1.00 0.00 H new ATOM 0 HB3 LYS A 23 4.409 -4.984 6.355 1.00 0.00 H new ATOM 0 HG2 LYS A 23 4.516 -7.447 5.459 1.00 0.00 H new ATOM 0 HG3 LYS A 23 6.085 -6.990 4.828 1.00 0.00 H new ATOM 0 HD2 LYS A 23 6.840 -6.361 7.113 1.00 0.00 H new ATOM 0 HD3 LYS A 23 5.261 -6.762 7.759 1.00 0.00 H new ATOM 0 HE2 LYS A 23 5.599 -9.148 6.959 1.00 0.00 H new ATOM 0 HE3 LYS A 23 7.223 -8.713 6.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 7.204 -9.700 8.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 7.716 -8.084 8.732 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 6.143 -8.505 9.212 1.00 0.00 H new ATOM 308 N VAL A 24 2.004 -5.821 5.649 1.00 0.00 N ATOM 309 CA VAL A 24 0.893 -6.582 6.184 1.00 0.00 C ATOM 310 C VAL A 24 -0.351 -6.453 5.354 1.00 0.00 C ATOM 311 O VAL A 24 -1.079 -7.416 5.134 1.00 0.00 O ATOM 312 CB VAL A 24 0.612 -6.156 7.656 1.00 0.00 C ATOM 313 CG1 VAL A 24 -0.441 -7.029 8.357 1.00 0.00 C ATOM 314 CG2 VAL A 24 1.899 -6.073 8.504 1.00 0.00 C ATOM 0 H VAL A 24 2.311 -5.109 6.311 1.00 0.00 H new ATOM 0 HA VAL A 24 1.181 -7.633 6.157 1.00 0.00 H new ATOM 0 HB VAL A 24 0.193 -5.153 7.579 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -0.586 -6.675 9.378 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -1.384 -6.968 7.814 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -0.101 -8.064 8.377 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.646 -5.772 9.521 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.385 -7.049 8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 24 2.576 -5.340 8.067 1.00 0.00 H new ATOM 324 N PHE A 25 -0.566 -5.227 4.846 1.00 0.00 N ATOM 325 CA PHE A 25 -1.618 -4.781 3.969 1.00 0.00 C ATOM 326 C PHE A 25 -1.599 -5.577 2.702 1.00 0.00 C ATOM 327 O PHE A 25 -2.576 -6.232 2.365 1.00 0.00 O ATOM 328 CB PHE A 25 -1.346 -3.291 3.651 1.00 0.00 C ATOM 329 CG PHE A 25 -2.242 -2.651 2.624 1.00 0.00 C ATOM 330 CD1 PHE A 25 -3.641 -2.572 2.753 1.00 0.00 C ATOM 331 CD2 PHE A 25 -1.634 -2.188 1.447 1.00 0.00 C ATOM 332 CE1 PHE A 25 -4.414 -2.049 1.706 1.00 0.00 C ATOM 333 CE2 PHE A 25 -2.401 -1.681 0.405 1.00 0.00 C ATOM 334 CZ PHE A 25 -3.792 -1.606 0.530 1.00 0.00 C ATOM 0 H PHE A 25 0.067 -4.460 5.074 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.593 -4.910 4.439 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -1.429 -2.723 4.578 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -0.315 -3.197 3.311 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -4.120 -2.914 3.659 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -0.559 -2.226 1.350 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -5.488 -1.988 1.806 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -1.922 -1.344 -0.503 1.00 0.00 H new ATOM 0 HZ PHE A 25 -4.387 -1.207 -0.279 1.00 0.00 H new ATOM 344 N PHE A 26 -0.428 -5.533 2.033 1.00 0.00 N ATOM 345 CA PHE A 26 -0.086 -6.151 0.775 1.00 0.00 C ATOM 346 C PHE A 26 -0.169 -7.652 0.810 1.00 0.00 C ATOM 347 O PHE A 26 -0.638 -8.274 -0.129 1.00 0.00 O ATOM 348 CB PHE A 26 1.328 -5.673 0.348 1.00 0.00 C ATOM 349 CG PHE A 26 1.855 -6.234 -0.946 1.00 0.00 C ATOM 350 CD1 PHE A 26 1.404 -5.755 -2.184 1.00 0.00 C ATOM 351 CD2 PHE A 26 2.827 -7.246 -0.922 1.00 0.00 C ATOM 352 CE1 PHE A 26 1.937 -6.252 -3.379 1.00 0.00 C ATOM 353 CE2 PHE A 26 3.356 -7.753 -2.110 1.00 0.00 C ATOM 354 CZ PHE A 26 2.905 -7.263 -3.340 1.00 0.00 C ATOM 0 H PHE A 26 0.362 -5.011 2.412 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.823 -5.839 0.036 1.00 0.00 H new ATOM 0 HB2 PHE A 26 1.313 -4.586 0.270 1.00 0.00 H new ATOM 0 HB3 PHE A 26 2.030 -5.926 1.143 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.638 -4.995 -2.216 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.169 -7.636 0.025 1.00 0.00 H new ATOM 0 HE1 PHE A 26 1.603 -5.857 -4.327 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.113 -8.523 -2.080 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.304 -7.665 -4.260 1.00 0.00 H new ATOM 364 N LYS A 27 0.260 -8.272 1.920 1.00 0.00 N ATOM 365 CA LYS A 27 0.325 -9.719 2.078 1.00 0.00 C ATOM 366 C LYS A 27 -1.062 -10.330 2.133 1.00 0.00 C ATOM 367 O LYS A 27 -1.273 -11.408 1.581 1.00 0.00 O ATOM 368 CB LYS A 27 1.293 -10.194 3.193 1.00 0.00 C ATOM 369 CG LYS A 27 1.364 -11.726 3.404 1.00 0.00 C ATOM 370 CD LYS A 27 2.391 -12.201 4.452 1.00 0.00 C ATOM 371 CE LYS A 27 2.253 -11.575 5.854 1.00 0.00 C ATOM 372 NZ LYS A 27 0.964 -11.886 6.475 1.00 0.00 N ATOM 0 H LYS A 27 0.576 -7.764 2.746 1.00 0.00 H new ATOM 0 HA LYS A 27 0.792 -10.115 1.176 1.00 0.00 H new ATOM 0 HB2 LYS A 27 2.294 -9.830 2.961 1.00 0.00 H new ATOM 0 HB3 LYS A 27 0.994 -9.729 4.132 1.00 0.00 H new ATOM 0 HG2 LYS A 27 0.377 -12.081 3.700 1.00 0.00 H new ATOM 0 HG3 LYS A 27 1.599 -12.197 2.450 1.00 0.00 H new ATOM 0 HD2 LYS A 27 2.310 -13.284 4.548 1.00 0.00 H new ATOM 0 HD3 LYS A 27 3.392 -11.988 4.076 1.00 0.00 H new ATOM 0 HE2 LYS A 27 3.059 -11.937 6.493 1.00 0.00 H new ATOM 0 HE3 LYS A 27 2.367 -10.494 5.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 0.916 -11.445 7.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 0.194 -11.518 5.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 0.865 -12.917 6.571 1.00 0.00 H new ATOM 386 N ARG A 28 -2.046 -9.623 2.753 1.00 0.00 N ATOM 387 CA ARG A 28 -3.429 -10.073 2.801 1.00 0.00 C ATOM 388 C ARG A 28 -4.218 -9.576 1.612 1.00 0.00 C ATOM 389 O ARG A 28 -5.155 -10.237 1.177 1.00 0.00 O ATOM 390 CB ARG A 28 -4.189 -9.655 4.079 1.00 0.00 C ATOM 391 CG ARG A 28 -3.976 -10.570 5.300 1.00 0.00 C ATOM 392 CD ARG A 28 -2.661 -10.331 6.068 1.00 0.00 C ATOM 393 NE ARG A 28 -2.916 -10.236 7.557 1.00 0.00 N ATOM 394 CZ ARG A 28 -3.572 -9.171 8.125 1.00 0.00 C ATOM 395 NH1 ARG A 28 -3.757 -7.995 7.456 1.00 0.00 N ATOM 396 NH2 ARG A 28 -4.071 -9.299 9.391 1.00 0.00 N ATOM 0 H ARG A 28 -1.885 -8.733 3.225 1.00 0.00 H new ATOM 0 HA ARG A 28 -3.353 -11.160 2.792 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -3.887 -8.643 4.347 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -5.255 -9.620 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -4.811 -10.435 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -4.002 -11.608 4.967 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -1.964 -11.144 5.865 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -2.191 -9.413 5.716 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.589 -10.990 8.161 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -3.404 -7.888 6.505 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -4.249 -7.224 7.907 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.954 -10.176 9.899 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -4.561 -8.518 9.828 1.00 0.00 H new ATOM 410 N ALA A 29 -3.835 -8.409 1.047 1.00 0.00 N ATOM 411 CA ALA A 29 -4.509 -7.726 -0.049 1.00 0.00 C ATOM 412 C ALA A 29 -4.315 -8.437 -1.366 1.00 0.00 C ATOM 413 O ALA A 29 -5.186 -8.428 -2.234 1.00 0.00 O ATOM 414 CB ALA A 29 -4.060 -6.265 -0.199 1.00 0.00 C ATOM 0 H ALA A 29 -3.008 -7.905 1.367 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.567 -7.740 0.212 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -4.594 -5.804 -1.030 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -4.279 -5.721 0.720 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -2.988 -6.232 -0.393 1.00 0.00 H new ATOM 420 N VAL A 30 -3.133 -9.075 -1.518 1.00 0.00 N ATOM 421 CA VAL A 30 -2.689 -9.801 -2.685 1.00 0.00 C ATOM 422 C VAL A 30 -3.238 -11.199 -2.595 1.00 0.00 C ATOM 423 O VAL A 30 -3.911 -11.681 -3.505 1.00 0.00 O ATOM 424 CB VAL A 30 -1.133 -9.816 -2.768 1.00 0.00 C ATOM 425 CG1 VAL A 30 -0.561 -10.774 -3.827 1.00 0.00 C ATOM 426 CG2 VAL A 30 -0.532 -8.412 -2.975 1.00 0.00 C ATOM 0 H VAL A 30 -2.436 -9.086 -0.773 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.052 -9.316 -3.591 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.832 -10.194 -1.791 1.00 0.00 H new ATOM 0 HG11 VAL A 30 0.528 -10.720 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -0.876 -11.793 -3.604 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -0.928 -10.488 -4.813 1.00 0.00 H new ATOM 0 HG21 VAL A 30 0.554 -8.485 -3.025 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -0.910 -7.988 -3.905 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -0.814 -7.769 -2.141 1.00 0.00 H new ATOM 436 N GLU A 31 -2.938 -11.855 -1.454 1.00 0.00 N ATOM 437 CA GLU A 31 -3.304 -13.220 -1.128 1.00 0.00 C ATOM 438 C GLU A 31 -4.584 -13.191 -0.327 1.00 0.00 C ATOM 439 O GLU A 31 -4.692 -13.745 0.766 1.00 0.00 O ATOM 440 CB GLU A 31 -2.181 -13.964 -0.365 1.00 0.00 C ATOM 441 CG GLU A 31 -0.811 -13.874 -1.078 1.00 0.00 C ATOM 442 CD GLU A 31 0.280 -14.597 -0.284 1.00 0.00 C ATOM 443 OE1 GLU A 31 0.598 -14.135 0.845 1.00 0.00 O ATOM 444 OE2 GLU A 31 0.816 -15.613 -0.801 1.00 0.00 O ATOM 0 H GLU A 31 -2.406 -11.410 -0.706 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.455 -13.776 -2.053 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -2.092 -13.547 0.638 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -2.458 -15.012 -0.251 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -0.888 -14.310 -2.074 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -0.535 -12.828 -1.209 1.00 0.00 H new ATOM 451 N GLY A 32 -5.593 -12.515 -0.915 1.00 0.00 N ATOM 452 CA GLY A 32 -6.908 -12.338 -0.361 1.00 0.00 C ATOM 453 C GLY A 32 -7.530 -11.222 -1.131 1.00 0.00 C ATOM 454 O GLY A 32 -7.011 -10.797 -2.163 1.00 0.00 O ATOM 0 H GLY A 32 -5.487 -12.068 -1.826 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -7.496 -13.251 -0.453 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -6.855 -12.098 0.701 1.00 0.00 H new ATOM 458 N GLN A 33 -8.676 -10.723 -0.619 1.00 0.00 N ATOM 459 CA GLN A 33 -9.422 -9.629 -1.191 1.00 0.00 C ATOM 460 C GLN A 33 -10.086 -8.997 -0.010 1.00 0.00 C ATOM 461 O GLN A 33 -10.626 -9.686 0.854 1.00 0.00 O ATOM 462 CB GLN A 33 -10.505 -10.050 -2.221 1.00 0.00 C ATOM 463 CG GLN A 33 -9.973 -10.344 -3.644 1.00 0.00 C ATOM 464 CD GLN A 33 -9.554 -9.047 -4.360 1.00 0.00 C ATOM 465 OE1 GLN A 33 -10.401 -8.358 -4.940 1.00 0.00 O ATOM 466 NE2 GLN A 33 -8.229 -8.713 -4.300 1.00 0.00 N ATOM 0 H GLN A 33 -9.103 -11.095 0.229 1.00 0.00 H new ATOM 0 HA GLN A 33 -8.752 -8.978 -1.752 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -11.014 -10.939 -1.848 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -11.252 -9.259 -2.285 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.121 -11.021 -3.584 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -10.743 -10.851 -4.225 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -7.572 -9.318 -3.808 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -7.898 -7.858 -4.748 1.00 0.00 H new ATOM 475 N HIS A 34 -10.047 -7.642 0.034 1.00 0.00 N ATOM 476 CA HIS A 34 -10.605 -6.837 1.095 1.00 0.00 C ATOM 477 C HIS A 34 -11.758 -6.083 0.470 1.00 0.00 C ATOM 478 O HIS A 34 -12.650 -6.700 -0.111 1.00 0.00 O ATOM 479 CB HIS A 34 -9.554 -5.920 1.752 1.00 0.00 C ATOM 480 CG HIS A 34 -8.576 -6.705 2.585 1.00 0.00 C ATOM 481 ND1 HIS A 34 -8.465 -6.445 3.942 1.00 0.00 N ATOM 482 CD2 HIS A 34 -7.771 -7.746 2.235 1.00 0.00 C ATOM 483 CE1 HIS A 34 -7.598 -7.334 4.382 1.00 0.00 C ATOM 484 NE2 HIS A 34 -7.151 -8.144 3.394 1.00 0.00 N ATOM 0 H HIS A 34 -9.609 -7.085 -0.699 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.956 -7.452 1.924 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -9.016 -5.371 0.979 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -10.055 -5.181 2.378 1.00 0.00 H new ATOM 0 HD1 HIS A 34 -8.947 -5.725 4.480 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -7.646 -8.171 1.250 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -7.281 -7.408 5.412 1.00 0.00 H new ATOM 492 N ASN A 35 -11.774 -4.729 0.576 1.00 0.00 N ATOM 493 CA ASN A 35 -12.804 -3.892 0.011 1.00 0.00 C ATOM 494 C ASN A 35 -12.156 -2.539 -0.098 1.00 0.00 C ATOM 495 O ASN A 35 -12.122 -1.766 0.859 1.00 0.00 O ATOM 496 CB ASN A 35 -14.119 -3.844 0.853 1.00 0.00 C ATOM 497 CG ASN A 35 -15.287 -3.125 0.141 1.00 0.00 C ATOM 498 OD1 ASN A 35 -15.664 -2.012 0.529 1.00 0.00 O ATOM 499 ND2 ASN A 35 -15.853 -3.784 -0.914 1.00 0.00 N ATOM 0 H ASN A 35 -11.051 -4.204 1.068 1.00 0.00 H new ATOM 0 HA ASN A 35 -13.143 -4.283 -0.948 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -14.424 -4.863 1.093 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -13.916 -3.341 1.798 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -16.627 -3.359 -1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -15.501 -4.701 -1.191 1.00 0.00 H new ATOM 506 N TYR A 36 -11.644 -2.235 -1.313 1.00 0.00 N ATOM 507 CA TYR A 36 -11.007 -1.005 -1.679 1.00 0.00 C ATOM 508 C TYR A 36 -11.849 -0.510 -2.828 1.00 0.00 C ATOM 509 O TYR A 36 -12.247 -1.306 -3.678 1.00 0.00 O ATOM 510 CB TYR A 36 -9.518 -1.178 -2.088 1.00 0.00 C ATOM 511 CG TYR A 36 -8.956 -2.582 -1.978 1.00 0.00 C ATOM 512 CD1 TYR A 36 -9.182 -3.526 -2.998 1.00 0.00 C ATOM 513 CD2 TYR A 36 -8.148 -2.954 -0.886 1.00 0.00 C ATOM 514 CE1 TYR A 36 -8.635 -4.813 -2.917 1.00 0.00 C ATOM 515 CE2 TYR A 36 -7.576 -4.228 -0.818 1.00 0.00 C ATOM 516 CZ TYR A 36 -7.836 -5.166 -1.824 1.00 0.00 C ATOM 517 OH TYR A 36 -7.302 -6.467 -1.731 1.00 0.00 O ATOM 0 H TYR A 36 -11.680 -2.897 -2.089 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.958 -0.308 -0.843 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -9.404 -0.842 -3.119 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.913 -0.516 -1.468 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.784 -3.255 -3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.968 -2.246 -0.091 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.830 -5.533 -3.698 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.934 -4.488 0.010 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.435 -6.498 -2.186 1.00 0.00 H new ATOM 527 N LEU A 37 -12.149 0.819 -2.865 1.00 0.00 N ATOM 528 CA LEU A 37 -13.017 1.415 -3.863 1.00 0.00 C ATOM 529 C LEU A 37 -12.389 2.644 -4.485 1.00 0.00 C ATOM 530 O LEU A 37 -12.759 3.777 -4.179 1.00 0.00 O ATOM 531 CB LEU A 37 -14.390 1.816 -3.272 1.00 0.00 C ATOM 532 CG LEU A 37 -15.222 0.664 -2.651 1.00 0.00 C ATOM 533 CD1 LEU A 37 -16.379 1.217 -1.795 1.00 0.00 C ATOM 534 CD2 LEU A 37 -15.729 -0.332 -3.711 1.00 0.00 C ATOM 0 H LEU A 37 -11.782 1.491 -2.190 1.00 0.00 H new ATOM 0 HA LEU A 37 -13.163 0.650 -4.626 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.227 2.574 -2.506 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -14.981 2.281 -4.060 1.00 0.00 H new ATOM 0 HG LEU A 37 -14.554 0.105 -1.995 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -16.946 0.388 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -15.975 1.830 -0.989 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -17.035 1.825 -2.419 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -16.306 -1.119 -3.225 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -16.362 0.191 -4.428 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.879 -0.774 -4.231 1.00 0.00 H new ATOM 546 N CYS A 38 -11.437 2.412 -5.416 1.00 0.00 N ATOM 547 CA CYS A 38 -10.787 3.394 -6.267 1.00 0.00 C ATOM 548 C CYS A 38 -10.289 2.525 -7.385 1.00 0.00 C ATOM 549 O CYS A 38 -9.109 2.187 -7.480 1.00 0.00 O ATOM 550 CB CYS A 38 -9.593 4.245 -5.747 1.00 0.00 C ATOM 551 SG CYS A 38 -10.088 5.610 -4.649 1.00 0.00 S ATOM 0 H CYS A 38 -11.091 1.469 -5.593 1.00 0.00 H new ATOM 0 HA CYS A 38 -11.514 4.183 -6.462 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -8.900 3.594 -5.213 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -9.052 4.655 -6.600 1.00 0.00 H new ATOM 556 N ALA A 39 -11.243 2.156 -8.260 1.00 0.00 N ATOM 557 CA ALA A 39 -11.084 1.327 -9.424 1.00 0.00 C ATOM 558 C ALA A 39 -11.473 2.118 -10.640 1.00 0.00 C ATOM 559 O ALA A 39 -11.110 1.769 -11.763 1.00 0.00 O ATOM 560 CB ALA A 39 -11.949 0.058 -9.353 1.00 0.00 C ATOM 0 H ALA A 39 -12.209 2.463 -8.145 1.00 0.00 H new ATOM 0 HA ALA A 39 -10.041 1.016 -9.476 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -11.796 -0.537 -10.253 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -11.665 -0.527 -8.478 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -13.000 0.338 -9.277 1.00 0.00 H new ATOM 566 N GLY A 40 -12.228 3.215 -10.417 1.00 0.00 N ATOM 567 CA GLY A 40 -12.707 4.087 -11.458 1.00 0.00 C ATOM 568 C GLY A 40 -12.878 5.457 -10.888 1.00 0.00 C ATOM 569 O GLY A 40 -13.832 6.156 -11.229 1.00 0.00 O ATOM 0 H GLY A 40 -12.515 3.506 -9.483 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -12.002 4.108 -12.289 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -13.654 3.720 -11.853 1.00 0.00 H new ATOM 573 N ARG A 41 -11.929 5.884 -10.015 1.00 0.00 N ATOM 574 CA ARG A 41 -11.909 7.187 -9.409 1.00 0.00 C ATOM 575 C ARG A 41 -10.564 7.702 -9.809 1.00 0.00 C ATOM 576 O ARG A 41 -10.415 8.335 -10.854 1.00 0.00 O ATOM 577 CB ARG A 41 -12.126 7.180 -7.874 1.00 0.00 C ATOM 578 CG ARG A 41 -13.506 6.651 -7.434 1.00 0.00 C ATOM 579 CD ARG A 41 -14.676 7.515 -7.933 1.00 0.00 C ATOM 580 NE ARG A 41 -15.973 6.933 -7.435 1.00 0.00 N ATOM 581 CZ ARG A 41 -17.165 7.600 -7.566 1.00 0.00 C ATOM 582 NH1 ARG A 41 -17.217 8.947 -7.779 1.00 0.00 N ATOM 583 NH2 ARG A 41 -18.332 6.895 -7.473 1.00 0.00 N ATOM 0 H ARG A 41 -11.148 5.296 -9.723 1.00 0.00 H new ATOM 0 HA ARG A 41 -12.735 7.815 -9.742 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -11.351 6.569 -7.411 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -12.001 8.195 -7.496 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -13.632 5.633 -7.803 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -13.538 6.602 -6.346 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -14.564 8.539 -7.578 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -14.676 7.553 -9.022 1.00 0.00 H new ATOM 0 HE ARG A 41 -15.965 6.016 -6.987 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -16.354 9.487 -7.845 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -18.119 9.414 -7.872 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -18.308 5.889 -7.309 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -19.227 7.375 -7.568 1.00 0.00 H new ATOM 597 N ASN A 42 -9.550 7.408 -8.959 1.00 0.00 N ATOM 598 CA ASN A 42 -8.140 7.743 -9.063 1.00 0.00 C ATOM 599 C ASN A 42 -8.063 9.235 -8.812 1.00 0.00 C ATOM 600 O ASN A 42 -7.695 10.028 -9.678 1.00 0.00 O ATOM 601 CB ASN A 42 -7.453 7.250 -10.376 1.00 0.00 C ATOM 602 CG ASN A 42 -5.923 7.464 -10.392 1.00 0.00 C ATOM 603 OD1 ASN A 42 -5.211 6.867 -9.577 1.00 0.00 O ATOM 604 ND2 ASN A 42 -5.432 8.329 -11.330 1.00 0.00 N ATOM 0 H ASN A 42 -9.735 6.879 -8.107 1.00 0.00 H new ATOM 0 HA ASN A 42 -7.550 7.204 -8.321 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -7.664 6.189 -10.510 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -7.893 7.773 -11.225 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -4.429 8.509 -11.382 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -6.068 8.794 -11.978 1.00 0.00 H new ATOM 611 N ASP A 43 -8.477 9.614 -7.586 1.00 0.00 N ATOM 612 CA ASP A 43 -8.543 10.974 -7.106 1.00 0.00 C ATOM 613 C ASP A 43 -7.548 11.182 -6.015 1.00 0.00 C ATOM 614 O ASP A 43 -6.548 11.874 -6.204 1.00 0.00 O ATOM 615 CB ASP A 43 -9.945 11.436 -6.571 1.00 0.00 C ATOM 616 CG ASP A 43 -10.885 10.417 -5.876 1.00 0.00 C ATOM 617 OD1 ASP A 43 -10.525 9.224 -5.708 1.00 0.00 O ATOM 618 OD2 ASP A 43 -12.005 10.858 -5.499 1.00 0.00 O ATOM 0 H ASP A 43 -8.784 8.937 -6.887 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.329 11.579 -7.987 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -9.771 12.249 -5.866 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -10.491 11.857 -7.415 1.00 0.00 H new ATOM 623 N CYS A 44 -7.826 10.594 -4.827 1.00 0.00 N ATOM 624 CA CYS A 44 -7.115 10.778 -3.601 1.00 0.00 C ATOM 625 C CYS A 44 -5.650 10.406 -3.648 1.00 0.00 C ATOM 626 O CYS A 44 -5.248 9.484 -4.355 1.00 0.00 O ATOM 627 CB CYS A 44 -7.787 10.041 -2.390 1.00 0.00 C ATOM 628 SG CYS A 44 -8.983 8.698 -2.760 1.00 0.00 S ATOM 0 H CYS A 44 -8.606 9.944 -4.724 1.00 0.00 H new ATOM 0 HA CYS A 44 -7.170 11.856 -3.452 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -6.994 9.621 -1.771 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -8.300 10.789 -1.786 1.00 0.00 H new ATOM 633 N ILE A 45 -4.828 11.151 -2.864 1.00 0.00 N ATOM 634 CA ILE A 45 -3.410 10.906 -2.684 1.00 0.00 C ATOM 635 C ILE A 45 -3.421 10.143 -1.402 1.00 0.00 C ATOM 636 O ILE A 45 -3.919 10.634 -0.392 1.00 0.00 O ATOM 637 CB ILE A 45 -2.523 12.181 -2.524 1.00 0.00 C ATOM 638 CG1 ILE A 45 -2.606 13.097 -3.768 1.00 0.00 C ATOM 639 CG2 ILE A 45 -1.047 11.885 -2.145 1.00 0.00 C ATOM 640 CD1 ILE A 45 -2.102 12.465 -5.075 1.00 0.00 C ATOM 0 H ILE A 45 -5.162 11.956 -2.334 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.977 10.413 -3.554 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.946 12.715 -1.673 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.643 13.403 -3.906 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.030 14.002 -3.574 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -0.500 12.823 -2.053 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.015 11.352 -1.195 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -0.588 11.272 -2.920 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -2.201 13.184 -5.888 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -1.055 12.185 -4.963 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -2.693 11.577 -5.301 1.00 0.00 H new ATOM 652 N ILE A 46 -2.864 8.914 -1.432 1.00 0.00 N ATOM 653 CA ILE A 46 -2.812 8.028 -0.301 1.00 0.00 C ATOM 654 C ILE A 46 -1.552 8.374 0.428 1.00 0.00 C ATOM 655 O ILE A 46 -0.470 8.347 -0.159 1.00 0.00 O ATOM 656 CB ILE A 46 -2.899 6.538 -0.765 1.00 0.00 C ATOM 657 CG1 ILE A 46 -3.951 5.724 0.020 1.00 0.00 C ATOM 658 CG2 ILE A 46 -1.576 5.740 -0.896 1.00 0.00 C ATOM 659 CD1 ILE A 46 -5.378 6.275 0.021 1.00 0.00 C ATOM 0 H ILE A 46 -2.435 8.523 -2.271 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.660 8.148 0.373 1.00 0.00 H new ATOM 0 HB ILE A 46 -3.225 6.665 -1.797 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.976 4.714 -0.389 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -3.616 5.641 1.054 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.795 4.724 -1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.928 6.227 -1.625 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.074 5.707 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.022 5.617 0.604 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -5.383 7.272 0.462 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -5.748 6.330 -1.003 1.00 0.00 H new ATOM 671 N ASP A 47 -1.669 8.746 1.722 1.00 0.00 N ATOM 672 CA ASP A 47 -0.489 9.031 2.489 1.00 0.00 C ATOM 673 C ASP A 47 -0.816 8.809 3.937 1.00 0.00 C ATOM 674 O ASP A 47 -1.825 8.192 4.254 1.00 0.00 O ATOM 675 CB ASP A 47 0.295 10.340 2.154 1.00 0.00 C ATOM 676 CG ASP A 47 -0.493 11.634 2.403 1.00 0.00 C ATOM 677 OD1 ASP A 47 -1.508 11.862 1.690 1.00 0.00 O ATOM 678 OD2 ASP A 47 -0.086 12.407 3.310 1.00 0.00 O ATOM 0 H ASP A 47 -2.551 8.847 2.224 1.00 0.00 H new ATOM 0 HA ASP A 47 0.282 8.326 2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 47 1.208 10.365 2.750 1.00 0.00 H new ATOM 0 HB3 ASP A 47 0.598 10.310 1.107 1.00 0.00 H new ATOM 683 N LYS A 48 0.050 9.320 4.845 1.00 0.00 N ATOM 684 CA LYS A 48 0.038 9.197 6.291 1.00 0.00 C ATOM 685 C LYS A 48 -1.210 9.682 7.013 1.00 0.00 C ATOM 686 O LYS A 48 -1.377 9.419 8.204 1.00 0.00 O ATOM 687 CB LYS A 48 1.268 9.964 6.841 1.00 0.00 C ATOM 688 CG LYS A 48 1.731 9.597 8.264 1.00 0.00 C ATOM 689 CD LYS A 48 3.000 10.344 8.721 1.00 0.00 C ATOM 690 CE LYS A 48 2.804 11.859 8.900 1.00 0.00 C ATOM 691 NZ LYS A 48 4.033 12.497 9.369 1.00 0.00 N ATOM 0 H LYS A 48 0.844 9.880 4.535 1.00 0.00 H new ATOM 0 HA LYS A 48 0.060 8.126 6.490 1.00 0.00 H new ATOM 0 HB2 LYS A 48 2.103 9.803 6.159 1.00 0.00 H new ATOM 0 HB3 LYS A 48 1.042 11.030 6.821 1.00 0.00 H new ATOM 0 HG2 LYS A 48 0.924 9.811 8.964 1.00 0.00 H new ATOM 0 HG3 LYS A 48 1.917 8.524 8.309 1.00 0.00 H new ATOM 0 HD2 LYS A 48 3.340 9.918 9.665 1.00 0.00 H new ATOM 0 HD3 LYS A 48 3.792 10.174 7.991 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.498 12.304 7.953 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.000 12.043 9.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.873 13.518 9.481 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 4.310 12.087 10.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 4.792 12.340 8.676 1.00 0.00 H new ATOM 705 N ILE A 49 -2.118 10.388 6.303 1.00 0.00 N ATOM 706 CA ILE A 49 -3.336 10.947 6.850 1.00 0.00 C ATOM 707 C ILE A 49 -4.499 10.486 6.013 1.00 0.00 C ATOM 708 O ILE A 49 -5.541 10.087 6.531 1.00 0.00 O ATOM 709 CB ILE A 49 -3.253 12.508 6.936 1.00 0.00 C ATOM 710 CG1 ILE A 49 -2.296 12.944 8.075 1.00 0.00 C ATOM 711 CG2 ILE A 49 -4.625 13.213 7.026 1.00 0.00 C ATOM 712 CD1 ILE A 49 -2.035 14.455 8.168 1.00 0.00 C ATOM 0 H ILE A 49 -2.004 10.580 5.308 1.00 0.00 H new ATOM 0 HA ILE A 49 -3.478 10.593 7.871 1.00 0.00 H new ATOM 0 HB ILE A 49 -2.836 12.842 5.986 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.709 12.604 9.025 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.342 12.434 7.941 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.477 14.291 7.082 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -5.216 12.973 6.142 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -5.151 12.872 7.918 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.354 14.656 8.995 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -1.589 14.805 7.237 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.977 14.977 8.338 1.00 0.00 H new ATOM 724 N ARG A 50 -4.337 10.579 4.683 1.00 0.00 N ATOM 725 CA ARG A 50 -5.362 10.319 3.694 1.00 0.00 C ATOM 726 C ARG A 50 -5.532 8.855 3.360 1.00 0.00 C ATOM 727 O ARG A 50 -6.376 8.525 2.528 1.00 0.00 O ATOM 728 CB ARG A 50 -5.060 11.091 2.391 1.00 0.00 C ATOM 729 CG ARG A 50 -5.252 12.623 2.468 1.00 0.00 C ATOM 730 CD ARG A 50 -6.705 13.104 2.240 1.00 0.00 C ATOM 731 NE ARG A 50 -7.579 12.881 3.452 1.00 0.00 N ATOM 732 CZ ARG A 50 -7.500 13.652 4.584 1.00 0.00 C ATOM 733 NH1 ARG A 50 -6.947 14.901 4.568 1.00 0.00 N ATOM 734 NH2 ARG A 50 -8.007 13.164 5.756 1.00 0.00 N ATOM 0 H ARG A 50 -3.447 10.849 4.264 1.00 0.00 H new ATOM 0 HA ARG A 50 -6.294 10.660 4.144 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -4.031 10.885 2.097 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -5.701 10.701 1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -4.918 12.969 3.446 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.607 13.094 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.699 14.165 1.989 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -7.130 12.577 1.386 1.00 0.00 H new ATOM 0 HE ARG A 50 -8.260 12.122 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -6.578 15.284 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -6.903 15.450 5.426 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -8.436 12.239 5.780 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.956 13.725 6.606 1.00 0.00 H new ATOM 748 N ARG A 51 -4.789 7.931 4.035 1.00 0.00 N ATOM 749 CA ARG A 51 -4.847 6.497 3.723 1.00 0.00 C ATOM 750 C ARG A 51 -6.116 5.802 4.167 1.00 0.00 C ATOM 751 O ARG A 51 -6.409 4.712 3.688 1.00 0.00 O ATOM 752 CB ARG A 51 -3.620 5.597 4.040 1.00 0.00 C ATOM 753 CG ARG A 51 -3.402 5.072 5.481 1.00 0.00 C ATOM 754 CD ARG A 51 -2.549 5.948 6.416 1.00 0.00 C ATOM 755 NE ARG A 51 -3.355 7.055 7.050 1.00 0.00 N ATOM 756 CZ ARG A 51 -4.246 6.837 8.071 1.00 0.00 C ATOM 757 NH1 ARG A 51 -4.297 5.651 8.746 1.00 0.00 N ATOM 758 NH2 ARG A 51 -5.086 7.844 8.452 1.00 0.00 N ATOM 0 H ARG A 51 -4.149 8.166 4.794 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.832 6.592 2.637 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.675 4.729 3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.727 6.154 3.758 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.379 4.933 5.943 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.936 4.089 5.418 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -2.112 5.325 7.197 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.722 6.380 5.853 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.232 8.007 6.705 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.660 4.894 8.496 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -4.972 5.522 9.500 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -5.047 8.747 7.979 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -5.752 7.693 9.210 1.00 0.00 H new ATOM 772 N LYS A 52 -6.888 6.426 5.093 1.00 0.00 N ATOM 773 CA LYS A 52 -8.085 5.921 5.716 1.00 0.00 C ATOM 774 C LYS A 52 -9.323 6.226 4.895 1.00 0.00 C ATOM 775 O LYS A 52 -10.447 6.014 5.346 1.00 0.00 O ATOM 776 CB LYS A 52 -8.178 6.593 7.107 1.00 0.00 C ATOM 777 CG LYS A 52 -9.160 5.983 8.120 1.00 0.00 C ATOM 778 CD LYS A 52 -9.067 6.631 9.514 1.00 0.00 C ATOM 779 CE LYS A 52 -10.096 6.064 10.503 1.00 0.00 C ATOM 780 NZ LYS A 52 -10.006 6.737 11.797 1.00 0.00 N ATOM 0 H LYS A 52 -6.652 7.359 5.431 1.00 0.00 H new ATOM 0 HA LYS A 52 -8.035 4.835 5.799 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -7.184 6.584 7.553 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -8.451 7.638 6.959 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -10.177 6.091 7.742 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -8.965 4.914 8.209 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -8.064 6.480 9.914 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -9.214 7.707 9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -11.100 6.183 10.096 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -9.930 4.995 10.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 -10.712 6.335 12.447 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -9.054 6.602 12.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -10.188 7.753 11.673 1.00 0.00 H new ATOM 794 N ASN A 53 -9.140 6.716 3.646 1.00 0.00 N ATOM 795 CA ASN A 53 -10.197 7.141 2.761 1.00 0.00 C ATOM 796 C ASN A 53 -10.670 6.030 1.860 1.00 0.00 C ATOM 797 O ASN A 53 -11.806 6.088 1.390 1.00 0.00 O ATOM 798 CB ASN A 53 -9.772 8.345 1.868 1.00 0.00 C ATOM 799 CG ASN A 53 -9.816 9.686 2.633 1.00 0.00 C ATOM 800 OD1 ASN A 53 -10.599 10.573 2.270 1.00 0.00 O ATOM 801 ND2 ASN A 53 -8.967 9.828 3.694 1.00 0.00 N ATOM 0 H ASN A 53 -8.213 6.821 3.234 1.00 0.00 H new ATOM 0 HA ASN A 53 -11.011 7.446 3.418 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -8.763 8.177 1.491 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -10.430 8.402 1.001 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.959 10.697 4.228 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -8.341 9.065 3.952 1.00 0.00 H new ATOM 808 N CYS A 54 -9.831 4.998 1.580 1.00 0.00 N ATOM 809 CA CYS A 54 -10.209 3.970 0.621 1.00 0.00 C ATOM 810 C CYS A 54 -9.450 2.654 0.701 1.00 0.00 C ATOM 811 O CYS A 54 -9.901 1.726 0.034 1.00 0.00 O ATOM 812 CB CYS A 54 -10.087 4.493 -0.849 1.00 0.00 C ATOM 813 SG CYS A 54 -8.476 5.277 -1.252 1.00 0.00 S ATOM 0 H CYS A 54 -8.912 4.872 2.003 1.00 0.00 H new ATOM 0 HA CYS A 54 -11.240 3.754 0.902 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.251 3.659 -1.532 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -10.883 5.215 -1.031 1.00 0.00 H new ATOM 818 N PRO A 55 -8.272 2.551 1.378 1.00 0.00 N ATOM 819 CA PRO A 55 -7.069 1.757 1.053 1.00 0.00 C ATOM 820 C PRO A 55 -6.985 1.079 -0.313 1.00 0.00 C ATOM 821 O PRO A 55 -6.645 -0.099 -0.403 1.00 0.00 O ATOM 822 CB PRO A 55 -6.961 0.779 2.205 1.00 0.00 C ATOM 823 CG PRO A 55 -7.383 1.632 3.401 1.00 0.00 C ATOM 824 CD PRO A 55 -8.497 2.532 2.836 1.00 0.00 C ATOM 0 HA PRO A 55 -6.223 2.436 0.947 1.00 0.00 H new ATOM 0 HB2 PRO A 55 -7.615 -0.082 2.069 1.00 0.00 H new ATOM 0 HB3 PRO A 55 -5.947 0.395 2.318 1.00 0.00 H new ATOM 0 HG2 PRO A 55 -7.745 1.016 4.224 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -6.550 2.220 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 55 -9.484 2.137 3.078 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -8.444 3.536 3.256 1.00 0.00 H new ATOM 832 N ALA A 56 -7.305 1.818 -1.408 1.00 0.00 N ATOM 833 CA ALA A 56 -7.551 1.332 -2.745 1.00 0.00 C ATOM 834 C ALA A 56 -6.440 1.850 -3.586 1.00 0.00 C ATOM 835 O ALA A 56 -5.833 1.106 -4.355 1.00 0.00 O ATOM 836 CB ALA A 56 -8.895 1.804 -3.307 1.00 0.00 C ATOM 0 H ALA A 56 -7.398 2.832 -1.351 1.00 0.00 H new ATOM 0 HA ALA A 56 -7.595 0.243 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -9.027 1.409 -4.314 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -9.702 1.446 -2.668 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -8.913 2.893 -3.339 1.00 0.00 H new ATOM 842 N CYS A 57 -6.106 3.153 -3.374 1.00 0.00 N ATOM 843 CA CYS A 57 -4.995 3.868 -3.941 1.00 0.00 C ATOM 844 C CYS A 57 -3.702 3.256 -3.488 1.00 0.00 C ATOM 845 O CYS A 57 -2.769 3.107 -4.265 1.00 0.00 O ATOM 846 CB CYS A 57 -4.994 5.353 -3.556 1.00 0.00 C ATOM 847 SG CYS A 57 -6.368 6.315 -4.284 1.00 0.00 S ATOM 0 H CYS A 57 -6.661 3.745 -2.757 1.00 0.00 H new ATOM 0 HA CYS A 57 -5.097 3.796 -5.024 1.00 0.00 H new ATOM 0 HB2 CYS A 57 -5.042 5.436 -2.470 1.00 0.00 H new ATOM 0 HB3 CYS A 57 -4.049 5.797 -3.868 1.00 0.00 H new ATOM 852 N ARG A 58 -3.679 2.832 -2.204 1.00 0.00 N ATOM 853 CA ARG A 58 -2.589 2.150 -1.528 1.00 0.00 C ATOM 854 C ARG A 58 -2.257 0.848 -2.201 1.00 0.00 C ATOM 855 O ARG A 58 -1.089 0.480 -2.279 1.00 0.00 O ATOM 856 CB ARG A 58 -2.819 1.791 -0.036 1.00 0.00 C ATOM 857 CG ARG A 58 -2.712 2.986 0.930 1.00 0.00 C ATOM 858 CD ARG A 58 -1.775 2.813 2.140 1.00 0.00 C ATOM 859 NE ARG A 58 -2.243 1.632 2.918 1.00 0.00 N ATOM 860 CZ ARG A 58 -1.736 1.291 4.147 1.00 0.00 C ATOM 861 NH1 ARG A 58 -1.070 2.185 4.933 1.00 0.00 N ATOM 862 NH2 ARG A 58 -1.908 0.015 4.604 1.00 0.00 N ATOM 0 H ARG A 58 -4.479 2.973 -1.587 1.00 0.00 H new ATOM 0 HA ARG A 58 -1.791 2.890 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -3.807 1.342 0.069 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -2.092 1.035 0.259 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -2.378 3.854 0.362 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -3.711 3.214 1.302 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -0.747 2.668 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -1.786 3.708 2.762 1.00 0.00 H new ATOM 0 HE ARG A 58 -2.977 1.048 2.517 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -0.935 3.144 4.613 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -0.707 1.895 5.841 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.407 -0.668 4.034 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -1.537 -0.255 5.515 1.00 0.00 H new ATOM 876 N TYR A 59 -3.296 0.123 -2.703 1.00 0.00 N ATOM 877 CA TYR A 59 -3.159 -1.183 -3.319 1.00 0.00 C ATOM 878 C TYR A 59 -2.565 -1.014 -4.702 1.00 0.00 C ATOM 879 O TYR A 59 -1.698 -1.792 -5.093 1.00 0.00 O ATOM 880 CB TYR A 59 -4.505 -1.949 -3.353 1.00 0.00 C ATOM 881 CG TYR A 59 -4.389 -3.382 -3.856 1.00 0.00 C ATOM 882 CD1 TYR A 59 -3.591 -4.331 -3.180 1.00 0.00 C ATOM 883 CD2 TYR A 59 -5.098 -3.796 -4.998 1.00 0.00 C ATOM 884 CE1 TYR A 59 -3.508 -5.658 -3.633 1.00 0.00 C ATOM 885 CE2 TYR A 59 -5.017 -5.117 -5.453 1.00 0.00 C ATOM 886 CZ TYR A 59 -4.221 -6.048 -4.772 1.00 0.00 C ATOM 887 OH TYR A 59 -4.142 -7.382 -5.229 1.00 0.00 O ATOM 0 H TYR A 59 -4.260 0.456 -2.679 1.00 0.00 H new ATOM 0 HA TYR A 59 -2.485 -1.793 -2.717 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.930 -1.960 -2.350 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -5.204 -1.407 -3.990 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.037 -4.032 -2.302 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -5.713 -3.085 -5.531 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -2.896 -6.374 -3.104 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.569 -5.420 -6.331 1.00 0.00 H new ATOM 0 HH TYR A 59 -4.697 -7.487 -6.030 1.00 0.00 H new ATOM 897 N ARG A 60 -2.955 0.059 -5.445 1.00 0.00 N ATOM 898 CA ARG A 60 -2.414 0.334 -6.764 1.00 0.00 C ATOM 899 C ARG A 60 -1.009 0.890 -6.699 1.00 0.00 C ATOM 900 O ARG A 60 -0.220 0.646 -7.606 1.00 0.00 O ATOM 901 CB ARG A 60 -3.306 1.170 -7.709 1.00 0.00 C ATOM 902 CG ARG A 60 -3.750 2.541 -7.170 1.00 0.00 C ATOM 903 CD ARG A 60 -4.396 3.463 -8.225 1.00 0.00 C ATOM 904 NE ARG A 60 -3.358 3.919 -9.229 1.00 0.00 N ATOM 905 CZ ARG A 60 -2.383 4.834 -8.917 1.00 0.00 C ATOM 906 NH1 ARG A 60 -2.568 5.780 -7.949 1.00 0.00 N ATOM 907 NH2 ARG A 60 -1.200 4.799 -9.599 1.00 0.00 N ATOM 0 H ARG A 60 -3.648 0.739 -5.131 1.00 0.00 H new ATOM 0 HA ARG A 60 -2.385 -0.651 -7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.767 1.325 -8.644 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -4.197 0.588 -7.947 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -4.460 2.386 -6.358 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -2.884 3.048 -6.744 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -5.200 2.934 -8.737 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -4.844 4.328 -7.736 1.00 0.00 H new ATOM 0 HE ARG A 60 -3.384 3.532 -10.172 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -3.449 5.819 -7.436 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -1.825 6.447 -7.739 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -1.052 4.100 -10.327 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -0.465 5.471 -9.380 1.00 0.00 H new ATOM 921 N LYS A 61 -0.675 1.626 -5.600 1.00 0.00 N ATOM 922 CA LYS A 61 0.585 2.325 -5.383 1.00 0.00 C ATOM 923 C LYS A 61 1.741 1.392 -5.199 1.00 0.00 C ATOM 924 O LYS A 61 2.779 1.555 -5.834 1.00 0.00 O ATOM 925 CB LYS A 61 0.559 3.338 -4.207 1.00 0.00 C ATOM 926 CG LYS A 61 0.512 4.826 -4.612 1.00 0.00 C ATOM 927 CD LYS A 61 -0.901 5.436 -4.694 1.00 0.00 C ATOM 928 CE LYS A 61 -0.931 6.973 -4.790 1.00 0.00 C ATOM 929 NZ LYS A 61 -0.301 7.459 -6.017 1.00 0.00 N ATOM 0 H LYS A 61 -1.320 1.741 -4.818 1.00 0.00 H new ATOM 0 HA LYS A 61 0.722 2.892 -6.304 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.308 3.122 -3.583 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.443 3.175 -3.591 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.098 5.401 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 61 0.996 4.938 -5.582 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.412 5.021 -5.563 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.467 5.129 -3.814 1.00 0.00 H new ATOM 0 HE2 LYS A 61 -1.964 7.318 -4.752 1.00 0.00 H new ATOM 0 HE3 LYS A 61 -0.420 7.400 -3.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.457 8.129 -5.776 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.100 6.656 -6.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -1.012 7.938 -6.606 1.00 0.00 H new ATOM 943 N CYS A 62 1.548 0.376 -4.326 1.00 0.00 N ATOM 944 CA CYS A 62 2.508 -0.652 -3.970 1.00 0.00 C ATOM 945 C CYS A 62 2.873 -1.504 -5.163 1.00 0.00 C ATOM 946 O CYS A 62 4.046 -1.794 -5.383 1.00 0.00 O ATOM 947 CB CYS A 62 2.090 -1.493 -2.730 1.00 0.00 C ATOM 948 SG CYS A 62 0.458 -2.289 -2.821 1.00 0.00 S ATOM 0 H CYS A 62 0.663 0.260 -3.833 1.00 0.00 H new ATOM 0 HA CYS A 62 3.413 -0.131 -3.657 1.00 0.00 H new ATOM 0 HB2 CYS A 62 2.841 -2.267 -2.570 1.00 0.00 H new ATOM 0 HB3 CYS A 62 2.108 -0.845 -1.854 1.00 0.00 H new ATOM 0 HG CYS A 62 -0.166 -1.879 -3.885 1.00 0.00 H new ATOM 954 N LEU A 63 1.859 -1.835 -6.003 1.00 0.00 N ATOM 955 CA LEU A 63 1.977 -2.610 -7.221 1.00 0.00 C ATOM 956 C LEU A 63 2.737 -1.839 -8.278 1.00 0.00 C ATOM 957 O LEU A 63 3.559 -2.415 -8.989 1.00 0.00 O ATOM 958 CB LEU A 63 0.604 -3.051 -7.780 1.00 0.00 C ATOM 959 CG LEU A 63 -0.127 -4.107 -6.915 1.00 0.00 C ATOM 960 CD1 LEU A 63 -1.610 -4.240 -7.312 1.00 0.00 C ATOM 961 CD2 LEU A 63 0.578 -5.476 -6.949 1.00 0.00 C ATOM 0 H LEU A 63 0.898 -1.544 -5.822 1.00 0.00 H new ATOM 0 HA LEU A 63 2.531 -3.512 -6.961 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -0.035 -2.173 -7.877 1.00 0.00 H new ATOM 0 HB3 LEU A 63 0.746 -3.455 -8.783 1.00 0.00 H new ATOM 0 HG LEU A 63 -0.087 -3.747 -5.887 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -2.089 -4.990 -6.683 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -2.110 -3.281 -7.178 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -1.681 -4.543 -8.357 1.00 0.00 H new ATOM 0 HD21 LEU A 63 0.029 -6.184 -6.328 1.00 0.00 H new ATOM 0 HD22 LEU A 63 0.611 -5.843 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 63 1.594 -5.372 -6.568 1.00 0.00 H new ATOM 973 N GLN A 64 2.510 -0.491 -8.348 1.00 0.00 N ATOM 974 CA GLN A 64 3.138 0.442 -9.269 1.00 0.00 C ATOM 975 C GLN A 64 4.608 0.582 -8.959 1.00 0.00 C ATOM 976 O GLN A 64 5.449 0.680 -9.852 1.00 0.00 O ATOM 977 CB GLN A 64 2.438 1.825 -9.270 1.00 0.00 C ATOM 978 CG GLN A 64 2.456 2.596 -10.611 1.00 0.00 C ATOM 979 CD GLN A 64 3.796 3.299 -10.881 1.00 0.00 C ATOM 980 OE1 GLN A 64 4.235 4.136 -10.086 1.00 0.00 O ATOM 981 NE2 GLN A 64 4.446 2.938 -12.030 1.00 0.00 N ATOM 0 H GLN A 64 1.849 -0.029 -7.724 1.00 0.00 H new ATOM 0 HA GLN A 64 3.029 0.031 -10.273 1.00 0.00 H new ATOM 0 HB2 GLN A 64 1.400 1.684 -8.969 1.00 0.00 H new ATOM 0 HB3 GLN A 64 2.909 2.448 -8.510 1.00 0.00 H new ATOM 0 HG2 GLN A 64 2.245 1.903 -11.425 1.00 0.00 H new ATOM 0 HG3 GLN A 64 1.657 3.337 -10.608 1.00 0.00 H new ATOM 0 HE21 GLN A 64 4.036 2.240 -12.650 1.00 0.00 H new ATOM 0 HE22 GLN A 64 5.341 3.367 -12.266 1.00 0.00 H new ATOM 990 N ALA A 65 4.916 0.534 -7.638 1.00 0.00 N ATOM 991 CA ALA A 65 6.221 0.651 -7.022 1.00 0.00 C ATOM 992 C ALA A 65 7.118 -0.496 -7.409 1.00 0.00 C ATOM 993 O ALA A 65 8.312 -0.315 -7.645 1.00 0.00 O ATOM 994 CB ALA A 65 6.137 0.797 -5.494 1.00 0.00 C ATOM 0 H ALA A 65 4.186 0.401 -6.938 1.00 0.00 H new ATOM 0 HA ALA A 65 6.665 1.570 -7.405 1.00 0.00 H new ATOM 0 HB1 ALA A 65 7.142 0.881 -5.081 1.00 0.00 H new ATOM 0 HB2 ALA A 65 5.566 1.692 -5.245 1.00 0.00 H new ATOM 0 HB3 ALA A 65 5.643 -0.078 -5.072 1.00 0.00 H new ATOM 1000 N GLY A 66 6.513 -1.702 -7.489 1.00 0.00 N ATOM 1001 CA GLY A 66 7.151 -2.918 -7.943 1.00 0.00 C ATOM 1002 C GLY A 66 7.156 -3.966 -6.880 1.00 0.00 C ATOM 1003 O GLY A 66 7.977 -4.882 -6.934 1.00 0.00 O ATOM 0 H GLY A 66 5.537 -1.840 -7.227 1.00 0.00 H new ATOM 0 HA2 GLY A 66 6.632 -3.295 -8.824 1.00 0.00 H new ATOM 0 HA3 GLY A 66 8.175 -2.701 -8.246 1.00 0.00 H new ATOM 1007 N MET A 67 6.215 -3.880 -5.894 1.00 0.00 N ATOM 1008 CA MET A 67 6.095 -4.787 -4.755 1.00 0.00 C ATOM 1009 C MET A 67 5.706 -6.160 -5.241 1.00 0.00 C ATOM 1010 O MET A 67 4.940 -6.286 -6.196 1.00 0.00 O ATOM 1011 CB MET A 67 5.081 -4.312 -3.692 1.00 0.00 C ATOM 1012 CG MET A 67 5.614 -3.177 -2.791 1.00 0.00 C ATOM 1013 SD MET A 67 6.579 -3.820 -1.378 1.00 0.00 S ATOM 1014 CE MET A 67 5.270 -4.599 -0.384 1.00 0.00 C ATOM 0 H MET A 67 5.505 -3.147 -5.887 1.00 0.00 H new ATOM 0 HA MET A 67 7.071 -4.808 -4.270 1.00 0.00 H new ATOM 0 HB2 MET A 67 4.175 -3.971 -4.193 1.00 0.00 H new ATOM 0 HB3 MET A 67 4.800 -5.159 -3.066 1.00 0.00 H new ATOM 0 HG2 MET A 67 6.239 -2.508 -3.382 1.00 0.00 H new ATOM 0 HG3 MET A 67 4.777 -2.586 -2.419 1.00 0.00 H new ATOM 0 HE1 MET A 67 5.608 -4.701 0.647 1.00 0.00 H new ATOM 0 HE2 MET A 67 4.374 -3.979 -0.413 1.00 0.00 H new ATOM 0 HE3 MET A 67 5.043 -5.585 -0.790 1.00 0.00 H new ATOM 1024 N ASN A 68 6.258 -7.221 -4.605 1.00 0.00 N ATOM 1025 CA ASN A 68 5.993 -8.571 -5.043 1.00 0.00 C ATOM 1026 C ASN A 68 6.437 -9.385 -3.888 1.00 0.00 C ATOM 1027 O ASN A 68 7.554 -9.224 -3.413 1.00 0.00 O ATOM 1028 CB ASN A 68 6.774 -8.996 -6.326 1.00 0.00 C ATOM 1029 CG ASN A 68 6.055 -10.106 -7.109 1.00 0.00 C ATOM 1030 OD1 ASN A 68 6.467 -11.271 -7.100 1.00 0.00 O ATOM 1031 ND2 ASN A 68 4.951 -9.699 -7.797 1.00 0.00 N ATOM 0 H ASN A 68 6.879 -7.148 -3.799 1.00 0.00 H new ATOM 0 HA ASN A 68 4.946 -8.691 -5.321 1.00 0.00 H new ATOM 0 HB2 ASN A 68 6.907 -8.128 -6.971 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.769 -9.340 -6.045 1.00 0.00 H new ATOM 0 HD21 ASN A 68 4.414 -10.372 -8.344 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.661 -8.722 -7.764 1.00 0.00 H new ATOM 1038 N LEU A 69 5.578 -10.309 -3.407 1.00 0.00 N ATOM 1039 CA LEU A 69 5.854 -11.137 -2.249 1.00 0.00 C ATOM 1040 C LEU A 69 6.423 -12.471 -2.674 1.00 0.00 C ATOM 1041 O LEU A 69 6.211 -13.507 -2.046 1.00 0.00 O ATOM 1042 CB LEU A 69 4.679 -11.215 -1.245 1.00 0.00 C ATOM 1043 CG LEU A 69 3.254 -11.379 -1.823 1.00 0.00 C ATOM 1044 CD1 LEU A 69 2.981 -12.777 -2.404 1.00 0.00 C ATOM 1045 CD2 LEU A 69 2.215 -10.988 -0.758 1.00 0.00 C ATOM 0 H LEU A 69 4.667 -10.491 -3.828 1.00 0.00 H new ATOM 0 HA LEU A 69 6.632 -10.646 -1.664 1.00 0.00 H new ATOM 0 HB2 LEU A 69 4.867 -12.052 -0.572 1.00 0.00 H new ATOM 0 HB3 LEU A 69 4.694 -10.309 -0.639 1.00 0.00 H new ATOM 0 HG LEU A 69 3.169 -10.702 -2.673 1.00 0.00 H new ATOM 0 HD11 LEU A 69 1.963 -12.818 -2.791 1.00 0.00 H new ATOM 0 HD12 LEU A 69 3.684 -12.979 -3.212 1.00 0.00 H new ATOM 0 HD13 LEU A 69 3.102 -13.526 -1.622 1.00 0.00 H new ATOM 0 HD21 LEU A 69 1.212 -11.105 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 69 2.328 -11.632 0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 69 2.368 -9.950 -0.464 1.00 0.00 H new ATOM 1057 N GLU A 70 7.205 -12.401 -3.775 1.00 0.00 N ATOM 1058 CA GLU A 70 7.982 -13.422 -4.418 1.00 0.00 C ATOM 1059 C GLU A 70 8.957 -12.628 -5.256 1.00 0.00 C ATOM 1060 O GLU A 70 9.315 -13.001 -6.373 1.00 0.00 O ATOM 1061 CB GLU A 70 7.202 -14.408 -5.326 1.00 0.00 C ATOM 1062 CG GLU A 70 6.124 -15.253 -4.611 1.00 0.00 C ATOM 1063 CD GLU A 70 5.517 -16.289 -5.564 1.00 0.00 C ATOM 1064 OE1 GLU A 70 6.256 -17.222 -5.979 1.00 0.00 O ATOM 1065 OE2 GLU A 70 4.304 -16.162 -5.884 1.00 0.00 O ATOM 0 H GLU A 70 7.300 -11.515 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 70 8.417 -14.077 -3.664 1.00 0.00 H new ATOM 0 HB2 GLU A 70 6.724 -13.840 -6.125 1.00 0.00 H new ATOM 0 HB3 GLU A 70 7.916 -15.083 -5.798 1.00 0.00 H new ATOM 0 HG2 GLU A 70 6.564 -15.758 -3.751 1.00 0.00 H new ATOM 0 HG3 GLU A 70 5.339 -14.600 -4.230 1.00 0.00 H new ATOM 1072 N ALA A 71 9.412 -11.488 -4.681 1.00 0.00 N ATOM 1073 CA ALA A 71 10.330 -10.528 -5.254 1.00 0.00 C ATOM 1074 C ALA A 71 11.735 -10.974 -4.936 1.00 0.00 C ATOM 1075 O ALA A 71 11.957 -11.684 -3.954 1.00 0.00 O ATOM 1076 CB ALA A 71 10.144 -9.127 -4.640 1.00 0.00 C ATOM 0 H ALA A 71 9.116 -11.216 -3.744 1.00 0.00 H new ATOM 0 HA ALA A 71 10.142 -10.474 -6.326 1.00 0.00 H new ATOM 0 HB1 ALA A 71 10.851 -8.433 -5.095 1.00 0.00 H new ATOM 0 HB2 ALA A 71 9.127 -8.781 -4.824 1.00 0.00 H new ATOM 0 HB3 ALA A 71 10.323 -9.174 -3.566 1.00 0.00 H new ATOM 1082 N ARG A 72 12.719 -10.554 -5.770 1.00 0.00 N ATOM 1083 CA ARG A 72 14.113 -10.888 -5.577 1.00 0.00 C ATOM 1084 C ARG A 72 14.925 -9.717 -6.156 1.00 0.00 C ATOM 1085 O ARG A 72 15.687 -9.085 -5.377 1.00 0.00 O ATOM 1086 CB ARG A 72 14.533 -12.228 -6.235 1.00 0.00 C ATOM 1087 CG ARG A 72 15.776 -12.876 -5.587 1.00 0.00 C ATOM 1088 CD ARG A 72 16.264 -14.158 -6.294 1.00 0.00 C ATOM 1089 NE ARG A 72 16.957 -13.827 -7.598 1.00 0.00 N ATOM 1090 CZ ARG A 72 18.211 -13.267 -7.649 1.00 0.00 C ATOM 1091 NH1 ARG A 72 19.092 -13.382 -6.614 1.00 0.00 N ATOM 1092 NH2 ARG A 72 18.589 -12.590 -8.774 1.00 0.00 N ATOM 1093 OXT ARG A 72 14.792 -9.441 -7.380 1.00 0.00 O ATOM 0 H ARG A 72 12.546 -9.974 -6.591 1.00 0.00 H new ATOM 0 HA ARG A 72 14.301 -11.034 -4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 72 13.699 -12.927 -6.179 1.00 0.00 H new ATOM 0 HB3 ARG A 72 14.734 -12.056 -7.292 1.00 0.00 H new ATOM 0 HG2 ARG A 72 16.588 -12.149 -5.578 1.00 0.00 H new ATOM 0 HG3 ARG A 72 15.548 -13.112 -4.548 1.00 0.00 H new ATOM 0 HD2 ARG A 72 16.949 -14.700 -5.641 1.00 0.00 H new ATOM 0 HD3 ARG A 72 15.417 -14.817 -6.485 1.00 0.00 H new ATOM 0 HE ARG A 72 16.474 -14.027 -8.474 1.00 0.00 H new ATOM 0 HH11 ARG A 72 18.827 -13.895 -5.773 1.00 0.00 H new ATOM 0 HH12 ARG A 72 20.016 -12.955 -6.681 1.00 0.00 H new ATOM 0 HH21 ARG A 72 17.944 -12.506 -9.560 1.00 0.00 H new ATOM 0 HH22 ARG A 72 19.516 -12.168 -8.828 1.00 0.00 H new TER 1107 ARG A 72 HETATM 1108 ZN ZN A 73 2.962 2.641 3.716 1.00 0.00 ZN HETATM 1109 ZN ZN A 74 -8.438 6.472 -3.242 1.00 0.00 ZN