USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 487 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 24 MET CE :methyl -149:sc= -2.7! (180deg=-2.21) USER MOD Set 1.2: A 51 TYR OH : rot 180:sc= -0.164 USER MOD Set 2.1: A 1 LEU N :NH3+ -104:sc= 1.12 (180deg=0) USER MOD Set 2.2: A 19 ASN : amide:sc= 0.178 K(o=1.3,f=-9.8!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 ASN : amide:sc= -1.13 K(o=-1.1,f=-5.8!) USER MOD Single : A 5 LYS NZ :NH3+ 158:sc= -0.0132 (180deg=-0.229) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -135:sc= -0.0996 (180deg=-2.23!) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -116:sc= -0.0819 (180deg=-0.134) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 27 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0.00522 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= -2.16! C(o=-2.2!,f=-11!) USER MOD Single : A 46 SER OG : rot 130:sc= 0.03 USER MOD Single : A 50 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0434) USER MOD Single : A 55 ASN : amide:sc= -0.121 K(o=-0.12,f=-1.9!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 60 ASN : amide:sc= -1.37! C(o=-1.4!,f=-14!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 5.566 12.153 -2.394 1.00 0.00 N ATOM 2 CA LEU A 1 5.594 11.240 -1.265 1.00 0.00 C ATOM 3 C LEU A 1 6.486 10.044 -1.603 1.00 0.00 C ATOM 4 O LEU A 1 6.637 9.688 -2.771 1.00 0.00 O ATOM 5 CB LEU A 1 4.173 10.850 -0.855 1.00 0.00 C ATOM 6 CG LEU A 1 3.742 11.265 0.553 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.615 12.299 0.500 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.361 10.044 1.393 1.00 0.00 C ATOM 0 H1 LEU A 1 6.167 12.977 -2.189 1.00 0.00 H new ATOM 0 H2 LEU A 1 5.921 11.667 -3.242 1.00 0.00 H new ATOM 0 H3 LEU A 1 4.589 12.470 -2.560 1.00 0.00 H new ATOM 0 HA LEU A 1 6.030 11.727 -0.393 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.477 11.288 -1.570 1.00 0.00 H new ATOM 0 HB3 LEU A 1 4.076 9.767 -0.938 1.00 0.00 H new ATOM 0 HG LEU A 1 4.592 11.740 1.043 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.328 12.577 1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 1 2.958 13.184 -0.035 1.00 0.00 H new ATOM 0 HD13 LEU A 1 1.755 11.874 -0.017 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.059 10.368 2.389 1.00 0.00 H new ATOM 0 HD22 LEU A 1 2.534 9.518 0.916 1.00 0.00 H new ATOM 0 HD23 LEU A 1 4.218 9.376 1.473 1.00 0.00 H new ATOM 20 N LYS A 2 7.054 9.456 -0.560 1.00 0.00 N ATOM 21 CA LYS A 2 7.927 8.307 -0.732 1.00 0.00 C ATOM 22 C LYS A 2 7.209 7.048 -0.241 1.00 0.00 C ATOM 23 O LYS A 2 6.919 6.919 0.947 1.00 0.00 O ATOM 24 CB LYS A 2 9.276 8.552 -0.051 1.00 0.00 C ATOM 25 CG LYS A 2 9.967 9.787 -0.633 1.00 0.00 C ATOM 26 CD LYS A 2 11.131 10.232 0.255 1.00 0.00 C ATOM 27 CE LYS A 2 12.473 9.983 -0.435 1.00 0.00 C ATOM 28 NZ LYS A 2 13.494 10.934 0.057 1.00 0.00 N ATOM 0 H LYS A 2 6.927 9.754 0.407 1.00 0.00 H new ATOM 0 HA LYS A 2 8.152 8.154 -1.787 1.00 0.00 H new ATOM 0 HB2 LYS A 2 9.128 8.685 1.021 1.00 0.00 H new ATOM 0 HB3 LYS A 2 9.916 7.679 -0.178 1.00 0.00 H new ATOM 0 HG2 LYS A 2 10.333 9.565 -1.635 1.00 0.00 H new ATOM 0 HG3 LYS A 2 9.247 10.600 -0.730 1.00 0.00 H new ATOM 0 HD2 LYS A 2 11.030 11.292 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 2 11.099 9.692 1.201 1.00 0.00 H new ATOM 0 HE2 LYS A 2 12.800 8.960 -0.248 1.00 0.00 H new ATOM 0 HE3 LYS A 2 12.359 10.089 -1.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 14.399 10.751 -0.422 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 13.187 11.907 -0.143 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 13.615 10.814 1.083 1.00 0.00 H new ATOM 42 N CYS A 3 6.946 6.152 -1.180 1.00 0.00 N ATOM 43 CA CYS A 3 6.267 4.908 -0.857 1.00 0.00 C ATOM 44 C CYS A 3 7.258 3.757 -1.047 1.00 0.00 C ATOM 45 O CYS A 3 8.171 3.848 -1.865 1.00 0.00 O ATOM 46 CB CYS A 3 5.003 4.717 -1.698 1.00 0.00 C ATOM 47 SG CYS A 3 3.987 6.224 -1.909 1.00 0.00 S ATOM 0 H CYS A 3 7.190 6.262 -2.164 1.00 0.00 H new ATOM 0 HA CYS A 3 5.933 4.932 0.180 1.00 0.00 H new ATOM 0 HB2 CYS A 3 5.291 4.349 -2.683 1.00 0.00 H new ATOM 0 HB3 CYS A 3 4.389 3.944 -1.236 1.00 0.00 H new ATOM 52 N ASN A 4 7.044 2.701 -0.275 1.00 0.00 N ATOM 53 CA ASN A 4 7.907 1.534 -0.349 1.00 0.00 C ATOM 54 C ASN A 4 7.233 0.460 -1.204 1.00 0.00 C ATOM 55 O ASN A 4 6.031 0.527 -1.459 1.00 0.00 O ATOM 56 CB ASN A 4 8.156 0.945 1.041 1.00 0.00 C ATOM 57 CG ASN A 4 8.638 2.022 2.015 1.00 0.00 C ATOM 58 OD1 ASN A 4 8.763 3.189 1.679 1.00 0.00 O ATOM 59 ND2 ASN A 4 8.900 1.568 3.237 1.00 0.00 N ATOM 0 H ASN A 4 6.286 2.629 0.404 1.00 0.00 H new ATOM 0 HA ASN A 4 8.857 1.844 -0.785 1.00 0.00 H new ATOM 0 HB2 ASN A 4 7.239 0.493 1.418 1.00 0.00 H new ATOM 0 HB3 ASN A 4 8.899 0.150 0.975 1.00 0.00 H new ATOM 0 HD21 ASN A 4 9.227 2.209 3.960 1.00 0.00 H new ATOM 0 HD22 ASN A 4 8.774 0.579 3.451 1.00 0.00 H new ATOM 66 N LYS A 5 8.036 -0.507 -1.624 1.00 0.00 N ATOM 67 CA LYS A 5 7.532 -1.595 -2.446 1.00 0.00 C ATOM 68 C LYS A 5 7.062 -2.736 -1.541 1.00 0.00 C ATOM 69 O LYS A 5 6.713 -2.511 -0.383 1.00 0.00 O ATOM 70 CB LYS A 5 8.582 -2.018 -3.476 1.00 0.00 C ATOM 71 CG LYS A 5 9.223 -0.797 -4.138 1.00 0.00 C ATOM 72 CD LYS A 5 10.738 -0.792 -3.926 1.00 0.00 C ATOM 73 CE LYS A 5 11.464 -1.375 -5.139 1.00 0.00 C ATOM 74 NZ LYS A 5 12.274 -0.334 -5.810 1.00 0.00 N ATOM 0 H LYS A 5 9.032 -0.560 -1.411 1.00 0.00 H new ATOM 0 HA LYS A 5 6.667 -1.269 -3.023 1.00 0.00 H new ATOM 0 HB2 LYS A 5 9.351 -2.619 -2.991 1.00 0.00 H new ATOM 0 HB3 LYS A 5 8.118 -2.647 -4.236 1.00 0.00 H new ATOM 0 HG2 LYS A 5 9.001 -0.799 -5.205 1.00 0.00 H new ATOM 0 HG3 LYS A 5 8.791 0.114 -3.724 1.00 0.00 H new ATOM 0 HD2 LYS A 5 11.080 0.227 -3.748 1.00 0.00 H new ATOM 0 HD3 LYS A 5 10.986 -1.371 -3.036 1.00 0.00 H new ATOM 0 HE2 LYS A 5 12.107 -2.197 -4.825 1.00 0.00 H new ATOM 0 HE3 LYS A 5 10.739 -1.788 -5.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 13.025 -0.786 -6.370 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 11.665 0.229 -6.438 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 12.702 0.288 -5.094 1.00 0.00 H new ATOM 88 N LEU A 6 7.070 -3.935 -2.104 1.00 0.00 N ATOM 89 CA LEU A 6 6.649 -5.112 -1.363 1.00 0.00 C ATOM 90 C LEU A 6 7.390 -5.159 -0.025 1.00 0.00 C ATOM 91 O LEU A 6 6.796 -5.467 1.007 1.00 0.00 O ATOM 92 CB LEU A 6 6.831 -6.373 -2.210 1.00 0.00 C ATOM 93 CG LEU A 6 6.091 -7.620 -1.724 1.00 0.00 C ATOM 94 CD1 LEU A 6 6.747 -8.191 -0.466 1.00 0.00 C ATOM 95 CD2 LEU A 6 4.603 -7.329 -1.514 1.00 0.00 C ATOM 0 H LEU A 6 7.361 -4.117 -3.064 1.00 0.00 H new ATOM 0 HA LEU A 6 5.584 -5.058 -1.137 1.00 0.00 H new ATOM 0 HB2 LEU A 6 6.504 -6.154 -3.227 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.895 -6.603 -2.260 1.00 0.00 H new ATOM 0 HG LEU A 6 6.163 -8.383 -2.499 1.00 0.00 H new ATOM 0 HD11 LEU A 6 6.201 -9.077 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 6 7.780 -8.461 -0.685 1.00 0.00 H new ATOM 0 HD13 LEU A 6 6.728 -7.442 0.326 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.101 -8.233 -1.168 1.00 0.00 H new ATOM 0 HD22 LEU A 6 4.488 -6.542 -0.769 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.159 -7.005 -2.455 1.00 0.00 H new ATOM 107 N VAL A 7 8.677 -4.849 -0.086 1.00 0.00 N ATOM 108 CA VAL A 7 9.505 -4.852 1.108 1.00 0.00 C ATOM 109 C VAL A 7 9.734 -3.411 1.568 1.00 0.00 C ATOM 110 O VAL A 7 10.055 -2.541 0.760 1.00 0.00 O ATOM 111 CB VAL A 7 10.807 -5.608 0.839 1.00 0.00 C ATOM 112 CG1 VAL A 7 11.808 -5.400 1.978 1.00 0.00 C ATOM 113 CG2 VAL A 7 10.540 -7.097 0.611 1.00 0.00 C ATOM 0 H VAL A 7 9.166 -4.594 -0.944 1.00 0.00 H new ATOM 0 HA VAL A 7 9.002 -5.376 1.921 1.00 0.00 H new ATOM 0 HB VAL A 7 11.246 -5.202 -0.072 1.00 0.00 H new ATOM 0 HG11 VAL A 7 12.725 -5.948 1.761 1.00 0.00 H new ATOM 0 HG12 VAL A 7 12.034 -4.338 2.074 1.00 0.00 H new ATOM 0 HG13 VAL A 7 11.379 -5.765 2.911 1.00 0.00 H new ATOM 0 HG21 VAL A 7 11.482 -7.611 0.422 1.00 0.00 H new ATOM 0 HG22 VAL A 7 10.066 -7.521 1.496 1.00 0.00 H new ATOM 0 HG23 VAL A 7 9.881 -7.221 -0.248 1.00 0.00 H new ATOM 123 N PRO A 8 9.560 -3.202 2.865 1.00 0.00 N ATOM 124 CA PRO A 8 10.105 -1.975 3.529 1.00 0.00 C ATOM 125 C PRO A 8 11.647 -1.699 3.529 1.00 0.00 C ATOM 126 O PRO A 8 12.255 -1.549 4.589 1.00 0.00 O ATOM 127 CB PRO A 8 9.521 -2.085 4.956 1.00 0.00 C ATOM 128 CG PRO A 8 8.380 -3.100 4.864 1.00 0.00 C ATOM 129 CD PRO A 8 8.836 -4.085 3.789 1.00 0.00 C ATOM 0 HA PRO A 8 9.809 -1.104 2.944 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.281 -2.414 5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 8 9.157 -1.119 5.305 1.00 0.00 H new ATOM 0 HG2 PRO A 8 8.215 -3.601 5.818 1.00 0.00 H new ATOM 0 HG3 PRO A 8 7.441 -2.619 4.590 1.00 0.00 H new ATOM 0 HD2 PRO A 8 9.478 -4.867 4.196 1.00 0.00 H new ATOM 0 HD3 PRO A 8 7.995 -4.582 3.306 1.00 0.00 H new ATOM 137 N ILE A 9 12.208 -1.647 2.330 1.00 0.00 N ATOM 138 CA ILE A 9 13.632 -1.399 2.179 1.00 0.00 C ATOM 139 C ILE A 9 13.854 -0.421 1.024 1.00 0.00 C ATOM 140 O ILE A 9 14.480 0.622 1.201 1.00 0.00 O ATOM 141 CB ILE A 9 14.392 -2.718 2.024 1.00 0.00 C ATOM 142 CG1 ILE A 9 15.903 -2.489 2.079 1.00 0.00 C ATOM 143 CG2 ILE A 9 13.968 -3.448 0.748 1.00 0.00 C ATOM 144 CD1 ILE A 9 16.373 -2.268 3.518 1.00 0.00 C ATOM 0 H ILE A 9 11.702 -1.772 1.453 1.00 0.00 H new ATOM 0 HA ILE A 9 14.035 -0.930 3.077 1.00 0.00 H new ATOM 0 HB ILE A 9 14.134 -3.363 2.864 1.00 0.00 H new ATOM 0 HG12 ILE A 9 16.420 -3.348 1.652 1.00 0.00 H new ATOM 0 HG13 ILE A 9 16.166 -1.624 1.470 1.00 0.00 H new ATOM 0 HG21 ILE A 9 14.523 -4.382 0.662 1.00 0.00 H new ATOM 0 HG22 ILE A 9 12.900 -3.663 0.789 1.00 0.00 H new ATOM 0 HG23 ILE A 9 14.178 -2.820 -0.118 1.00 0.00 H new ATOM 0 HD11 ILE A 9 17.451 -2.108 3.528 1.00 0.00 H new ATOM 0 HD12 ILE A 9 15.872 -1.394 3.934 1.00 0.00 H new ATOM 0 HD13 ILE A 9 16.131 -3.145 4.119 1.00 0.00 H new ATOM 156 N ALA A 10 13.331 -0.794 -0.135 1.00 0.00 N ATOM 157 CA ALA A 10 13.466 0.037 -1.319 1.00 0.00 C ATOM 158 C ALA A 10 12.167 0.816 -1.540 1.00 0.00 C ATOM 159 O ALA A 10 11.084 0.234 -1.547 1.00 0.00 O ATOM 160 CB ALA A 10 13.829 -0.840 -2.519 1.00 0.00 C ATOM 0 H ALA A 10 12.813 -1.661 -0.279 1.00 0.00 H new ATOM 0 HA ALA A 10 14.269 0.763 -1.189 1.00 0.00 H new ATOM 0 HB1 ALA A 10 13.930 -0.217 -3.408 1.00 0.00 H new ATOM 0 HB2 ALA A 10 14.772 -1.351 -2.324 1.00 0.00 H new ATOM 0 HB3 ALA A 10 13.043 -1.578 -2.681 1.00 0.00 H new ATOM 166 N TYR A 11 12.320 2.121 -1.713 1.00 0.00 N ATOM 167 CA TYR A 11 11.174 2.986 -1.934 1.00 0.00 C ATOM 168 C TYR A 11 11.538 4.154 -2.852 1.00 0.00 C ATOM 169 O TYR A 11 12.696 4.563 -2.915 1.00 0.00 O ATOM 170 CB TYR A 11 10.790 3.535 -0.558 1.00 0.00 C ATOM 171 CG TYR A 11 11.938 4.231 0.177 1.00 0.00 C ATOM 172 CD1 TYR A 11 12.888 3.482 0.840 1.00 0.00 C ATOM 173 CD2 TYR A 11 12.023 5.608 0.175 1.00 0.00 C ATOM 174 CE1 TYR A 11 13.968 4.136 1.532 1.00 0.00 C ATOM 175 CE2 TYR A 11 13.103 6.264 0.867 1.00 0.00 C ATOM 176 CZ TYR A 11 14.022 5.495 1.511 1.00 0.00 C ATOM 177 OH TYR A 11 15.042 6.114 2.164 1.00 0.00 O ATOM 0 H TYR A 11 13.221 2.600 -1.705 1.00 0.00 H new ATOM 0 HA TYR A 11 10.361 2.434 -2.406 1.00 0.00 H new ATOM 0 HB2 TYR A 11 9.967 4.240 -0.676 1.00 0.00 H new ATOM 0 HB3 TYR A 11 10.421 2.715 0.059 1.00 0.00 H new ATOM 0 HD1 TYR A 11 12.822 2.404 0.840 1.00 0.00 H new ATOM 0 HD2 TYR A 11 11.280 6.194 -0.345 1.00 0.00 H new ATOM 0 HE1 TYR A 11 14.718 3.561 2.055 1.00 0.00 H new ATOM 0 HE2 TYR A 11 13.181 7.341 0.874 1.00 0.00 H new ATOM 0 HH TYR A 11 14.954 7.085 2.063 1.00 0.00 H new ATOM 187 N LYS A 12 10.526 4.659 -3.543 1.00 0.00 N ATOM 188 CA LYS A 12 10.724 5.773 -4.455 1.00 0.00 C ATOM 189 C LYS A 12 9.613 6.803 -4.245 1.00 0.00 C ATOM 190 O LYS A 12 8.751 6.625 -3.386 1.00 0.00 O ATOM 191 CB LYS A 12 10.833 5.270 -5.897 1.00 0.00 C ATOM 192 CG LYS A 12 12.201 5.609 -6.493 1.00 0.00 C ATOM 193 CD LYS A 12 12.083 5.939 -7.983 1.00 0.00 C ATOM 194 CE LYS A 12 11.660 7.393 -8.190 1.00 0.00 C ATOM 195 NZ LYS A 12 11.558 7.704 -9.634 1.00 0.00 N ATOM 0 H LYS A 12 9.567 4.317 -3.489 1.00 0.00 H new ATOM 0 HA LYS A 12 11.668 6.276 -4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 12 10.678 4.191 -5.923 1.00 0.00 H new ATOM 0 HB3 LYS A 12 10.047 5.719 -6.503 1.00 0.00 H new ATOM 0 HG2 LYS A 12 12.633 6.457 -5.962 1.00 0.00 H new ATOM 0 HG3 LYS A 12 12.880 4.768 -6.356 1.00 0.00 H new ATOM 0 HD2 LYS A 12 13.039 5.761 -8.475 1.00 0.00 H new ATOM 0 HD3 LYS A 12 11.356 5.275 -8.450 1.00 0.00 H new ATOM 0 HE2 LYS A 12 10.700 7.571 -7.705 1.00 0.00 H new ATOM 0 HE3 LYS A 12 12.383 8.059 -7.719 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 11.270 8.696 -9.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 12.482 7.554 -10.088 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 10.851 7.081 -10.074 1.00 0.00 H new ATOM 209 N THR A 13 9.669 7.858 -5.044 1.00 0.00 N ATOM 210 CA THR A 13 8.679 8.917 -4.956 1.00 0.00 C ATOM 211 C THR A 13 7.450 8.569 -5.799 1.00 0.00 C ATOM 212 O THR A 13 7.570 8.276 -6.988 1.00 0.00 O ATOM 213 CB THR A 13 9.348 10.228 -5.372 1.00 0.00 C ATOM 214 OG1 THR A 13 9.766 10.810 -4.141 1.00 0.00 O ATOM 215 CG2 THR A 13 8.353 11.239 -5.945 1.00 0.00 C ATOM 0 H THR A 13 10.385 8.002 -5.756 1.00 0.00 H new ATOM 0 HA THR A 13 8.314 9.032 -3.935 1.00 0.00 H new ATOM 0 HB THR A 13 10.120 10.022 -6.113 1.00 0.00 H new ATOM 0 HG1 THR A 13 10.212 11.664 -4.318 1.00 0.00 H new ATOM 0 HG21 THR A 13 8.881 12.151 -6.224 1.00 0.00 H new ATOM 0 HG22 THR A 13 7.870 10.815 -6.826 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.598 11.472 -5.194 1.00 0.00 H new ATOM 223 N CYS A 14 6.295 8.612 -5.149 1.00 0.00 N ATOM 224 CA CYS A 14 5.046 8.305 -5.824 1.00 0.00 C ATOM 225 C CYS A 14 4.691 9.480 -6.736 1.00 0.00 C ATOM 226 O CYS A 14 4.354 10.562 -6.258 1.00 0.00 O ATOM 227 CB CYS A 14 3.925 7.997 -4.828 1.00 0.00 C ATOM 228 SG CYS A 14 4.340 6.729 -3.575 1.00 0.00 S ATOM 0 H CYS A 14 6.199 8.855 -4.163 1.00 0.00 H new ATOM 0 HA CYS A 14 5.167 7.404 -6.425 1.00 0.00 H new ATOM 0 HB2 CYS A 14 3.650 8.919 -4.315 1.00 0.00 H new ATOM 0 HB3 CYS A 14 3.046 7.667 -5.382 1.00 0.00 H new ATOM 233 N PRO A 15 4.777 9.228 -8.035 1.00 0.00 N ATOM 234 CA PRO A 15 4.721 10.335 -9.041 1.00 0.00 C ATOM 235 C PRO A 15 3.464 11.271 -9.111 1.00 0.00 C ATOM 236 O PRO A 15 2.561 11.167 -8.282 1.00 0.00 O ATOM 237 CB PRO A 15 4.976 9.588 -10.370 1.00 0.00 C ATOM 238 CG PRO A 15 4.562 8.137 -10.120 1.00 0.00 C ATOM 239 CD PRO A 15 4.922 7.887 -8.657 1.00 0.00 C ATOM 0 HA PRO A 15 5.449 11.096 -8.759 1.00 0.00 H new ATOM 0 HB2 PRO A 15 4.395 10.026 -11.182 1.00 0.00 H new ATOM 0 HB3 PRO A 15 6.025 9.651 -10.659 1.00 0.00 H new ATOM 0 HG2 PRO A 15 3.496 7.991 -10.298 1.00 0.00 H new ATOM 0 HG3 PRO A 15 5.092 7.453 -10.782 1.00 0.00 H new ATOM 0 HD2 PRO A 15 4.256 7.157 -8.198 1.00 0.00 H new ATOM 0 HD3 PRO A 15 5.937 7.503 -8.552 1.00 0.00 H new ATOM 247 N GLU A 16 3.473 12.146 -10.106 1.00 0.00 N ATOM 248 CA GLU A 16 2.373 13.077 -10.293 1.00 0.00 C ATOM 249 C GLU A 16 1.046 12.319 -10.389 1.00 0.00 C ATOM 250 O GLU A 16 0.910 11.397 -11.192 1.00 0.00 O ATOM 251 CB GLU A 16 2.597 13.948 -11.531 1.00 0.00 C ATOM 252 CG GLU A 16 1.659 15.158 -11.527 1.00 0.00 C ATOM 253 CD GLU A 16 0.365 14.850 -12.283 1.00 0.00 C ATOM 254 OE1 GLU A 16 0.461 14.646 -13.512 1.00 0.00 O ATOM 255 OE2 GLU A 16 -0.691 14.827 -11.614 1.00 0.00 O ATOM 0 H GLU A 16 4.224 12.230 -10.791 1.00 0.00 H new ATOM 0 HA GLU A 16 2.330 13.737 -9.427 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.633 14.286 -11.560 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.430 13.357 -12.431 1.00 0.00 H new ATOM 0 HG2 GLU A 16 1.426 15.439 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 16 2.158 16.011 -11.986 1.00 0.00 H new ATOM 262 N GLY A 17 0.102 12.737 -9.559 1.00 0.00 N ATOM 263 CA GLY A 17 -1.209 12.110 -9.541 1.00 0.00 C ATOM 264 C GLY A 17 -1.321 11.110 -8.388 1.00 0.00 C ATOM 265 O GLY A 17 -2.363 11.018 -7.741 1.00 0.00 O ATOM 0 H GLY A 17 0.218 13.502 -8.894 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -1.980 12.874 -9.441 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -1.386 11.600 -10.488 1.00 0.00 H new ATOM 269 N LYS A 18 -0.234 10.387 -8.166 1.00 0.00 N ATOM 270 CA LYS A 18 -0.198 9.397 -7.104 1.00 0.00 C ATOM 271 C LYS A 18 0.715 9.894 -5.980 1.00 0.00 C ATOM 272 O LYS A 18 1.911 9.605 -5.973 1.00 0.00 O ATOM 273 CB LYS A 18 0.200 8.028 -7.658 1.00 0.00 C ATOM 274 CG LYS A 18 -0.485 7.760 -9.000 1.00 0.00 C ATOM 275 CD LYS A 18 -1.960 7.409 -8.802 1.00 0.00 C ATOM 276 CE LYS A 18 -2.302 6.080 -9.477 1.00 0.00 C ATOM 277 NZ LYS A 18 -3.738 5.763 -9.301 1.00 0.00 N ATOM 0 H LYS A 18 0.629 10.467 -8.704 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.191 9.264 -6.675 1.00 0.00 H new ATOM 0 HB2 LYS A 18 1.282 7.982 -7.782 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.072 7.250 -6.945 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.399 8.640 -9.638 1.00 0.00 H new ATOM 0 HG3 LYS A 18 0.021 6.943 -9.514 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.183 7.348 -7.737 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.585 8.202 -9.214 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.063 6.133 -10.539 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.693 5.282 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -3.842 4.765 -9.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.138 6.368 -8.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.243 5.933 -10.194 1.00 0.00 H new ATOM 291 N ASN A 19 0.116 10.634 -5.058 1.00 0.00 N ATOM 292 CA ASN A 19 0.860 11.174 -3.933 1.00 0.00 C ATOM 293 C ASN A 19 0.385 10.502 -2.643 1.00 0.00 C ATOM 294 O ASN A 19 0.580 11.036 -1.553 1.00 0.00 O ATOM 295 CB ASN A 19 0.630 12.680 -3.794 1.00 0.00 C ATOM 296 CG ASN A 19 1.853 13.367 -3.181 1.00 0.00 C ATOM 297 OD1 ASN A 19 2.956 12.843 -3.179 1.00 0.00 O ATOM 298 ND2 ASN A 19 1.598 14.564 -2.662 1.00 0.00 N ATOM 0 H ASN A 19 -0.876 10.872 -5.067 1.00 0.00 H new ATOM 0 HA ASN A 19 1.919 10.985 -4.107 1.00 0.00 H new ATOM 0 HB2 ASN A 19 0.419 13.111 -4.773 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -0.245 12.862 -3.170 1.00 0.00 H new ATOM 0 HD21 ASN A 19 2.348 15.102 -2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 19 0.652 14.944 -2.697 1.00 0.00 H new ATOM 305 N LEU A 20 -0.230 9.340 -2.811 1.00 0.00 N ATOM 306 CA LEU A 20 -0.734 8.590 -1.673 1.00 0.00 C ATOM 307 C LEU A 20 -0.173 7.166 -1.718 1.00 0.00 C ATOM 308 O LEU A 20 -0.004 6.596 -2.794 1.00 0.00 O ATOM 309 CB LEU A 20 -2.262 8.647 -1.628 1.00 0.00 C ATOM 310 CG LEU A 20 -2.874 10.031 -1.396 1.00 0.00 C ATOM 311 CD1 LEU A 20 -4.400 9.980 -1.501 1.00 0.00 C ATOM 312 CD2 LEU A 20 -2.411 10.618 -0.062 1.00 0.00 C ATOM 0 H LEU A 20 -0.390 8.900 -3.717 1.00 0.00 H new ATOM 0 HA LEU A 20 -0.394 9.039 -0.740 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -2.649 8.253 -2.568 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.608 7.981 -0.837 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.519 10.698 -2.182 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.810 10.976 -1.332 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -4.685 9.634 -2.495 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -4.794 9.294 -0.751 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.860 11.601 0.078 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -2.717 9.960 0.751 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.325 10.712 -0.063 1.00 0.00 H new ATOM 324 N CYS A 21 0.097 6.634 -0.536 1.00 0.00 N ATOM 325 CA CYS A 21 0.635 5.289 -0.426 1.00 0.00 C ATOM 326 C CYS A 21 -0.396 4.416 0.292 1.00 0.00 C ATOM 327 O CYS A 21 -1.035 4.862 1.245 1.00 0.00 O ATOM 328 CB CYS A 21 1.989 5.276 0.287 1.00 0.00 C ATOM 329 SG CYS A 21 3.113 6.645 -0.177 1.00 0.00 S ATOM 0 H CYS A 21 -0.047 7.110 0.355 1.00 0.00 H new ATOM 0 HA CYS A 21 0.820 4.887 -1.422 1.00 0.00 H new ATOM 0 HB2 CYS A 21 1.818 5.314 1.363 1.00 0.00 H new ATOM 0 HB3 CYS A 21 2.486 4.329 0.076 1.00 0.00 H new ATOM 334 N TYR A 22 -0.525 3.190 -0.190 1.00 0.00 N ATOM 335 CA TYR A 22 -1.469 2.251 0.394 1.00 0.00 C ATOM 336 C TYR A 22 -0.878 0.840 0.441 1.00 0.00 C ATOM 337 O TYR A 22 0.116 0.556 -0.225 1.00 0.00 O ATOM 338 CB TYR A 22 -2.689 2.250 -0.529 1.00 0.00 C ATOM 339 CG TYR A 22 -2.472 1.506 -1.848 1.00 0.00 C ATOM 340 CD1 TYR A 22 -2.327 0.135 -1.851 1.00 0.00 C ATOM 341 CD2 TYR A 22 -2.420 2.209 -3.035 1.00 0.00 C ATOM 342 CE1 TYR A 22 -2.122 -0.566 -3.093 1.00 0.00 C ATOM 343 CE2 TYR A 22 -2.215 1.509 -4.277 1.00 0.00 C ATOM 344 CZ TYR A 22 -2.077 0.157 -4.245 1.00 0.00 C ATOM 345 OH TYR A 22 -1.884 -0.505 -5.418 1.00 0.00 O ATOM 0 H TYR A 22 0.008 2.824 -0.979 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.718 2.541 1.415 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -3.529 1.797 -0.003 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -2.967 3.281 -0.747 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -2.367 -0.414 -0.922 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -2.533 3.283 -3.032 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -2.007 -1.640 -3.109 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -2.172 2.046 -5.213 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.875 0.137 -6.158 1.00 0.00 H new ATOM 355 N LYS A 23 -1.517 -0.007 1.236 1.00 0.00 N ATOM 356 CA LYS A 23 -1.068 -1.382 1.379 1.00 0.00 C ATOM 357 C LYS A 23 -2.282 -2.291 1.581 1.00 0.00 C ATOM 358 O LYS A 23 -3.026 -2.135 2.548 1.00 0.00 O ATOM 359 CB LYS A 23 -0.026 -1.491 2.493 1.00 0.00 C ATOM 360 CG LYS A 23 -0.573 -0.944 3.812 1.00 0.00 C ATOM 361 CD LYS A 23 -0.043 0.466 4.083 1.00 0.00 C ATOM 362 CE LYS A 23 0.712 0.522 5.413 1.00 0.00 C ATOM 363 NZ LYS A 23 -0.205 0.250 6.541 1.00 0.00 N ATOM 0 H LYS A 23 -2.341 0.232 1.787 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.566 -1.716 0.471 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.267 -2.533 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 23 0.871 -0.940 2.211 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.662 -0.927 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.290 -1.606 4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 23 0.618 0.772 3.272 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.873 1.173 4.102 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.521 -0.209 5.410 1.00 0.00 H new ATOM 0 HE3 LYS A 23 1.170 1.503 5.537 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.271 1.093 7.146 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -1.148 0.014 6.172 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.159 -0.549 7.099 1.00 0.00 H new ATOM 377 N MET A 24 -2.444 -3.222 0.652 1.00 0.00 N ATOM 378 CA MET A 24 -3.555 -4.157 0.717 1.00 0.00 C ATOM 379 C MET A 24 -3.158 -5.429 1.467 1.00 0.00 C ATOM 380 O MET A 24 -2.174 -6.080 1.117 1.00 0.00 O ATOM 381 CB MET A 24 -4.000 -4.520 -0.702 1.00 0.00 C ATOM 382 CG MET A 24 -5.010 -3.501 -1.237 1.00 0.00 C ATOM 383 SD MET A 24 -4.325 -2.641 -2.642 1.00 0.00 S ATOM 384 CE MET A 24 -5.211 -3.451 -3.963 1.00 0.00 C ATOM 0 H MET A 24 -1.825 -3.349 -0.149 1.00 0.00 H new ATOM 0 HA MET A 24 -4.375 -3.681 1.255 1.00 0.00 H new ATOM 0 HB2 MET A 24 -3.132 -4.558 -1.361 1.00 0.00 H new ATOM 0 HB3 MET A 24 -4.446 -5.515 -0.704 1.00 0.00 H new ATOM 0 HG2 MET A 24 -5.932 -4.007 -1.524 1.00 0.00 H new ATOM 0 HG3 MET A 24 -5.268 -2.788 -0.454 1.00 0.00 H new ATOM 0 HE1 MET A 24 -4.587 -3.477 -4.857 1.00 0.00 H new ATOM 0 HE2 MET A 24 -5.459 -4.469 -3.664 1.00 0.00 H new ATOM 0 HE3 MET A 24 -6.128 -2.902 -4.177 1.00 0.00 H new ATOM 394 N PHE A 25 -3.943 -5.747 2.486 1.00 0.00 N ATOM 395 CA PHE A 25 -3.686 -6.930 3.289 1.00 0.00 C ATOM 396 C PHE A 25 -4.757 -7.997 3.053 1.00 0.00 C ATOM 397 O PHE A 25 -5.936 -7.769 3.322 1.00 0.00 O ATOM 398 CB PHE A 25 -3.733 -6.495 4.755 1.00 0.00 C ATOM 399 CG PHE A 25 -2.651 -5.481 5.137 1.00 0.00 C ATOM 400 CD1 PHE A 25 -2.896 -4.148 5.019 1.00 0.00 C ATOM 401 CD2 PHE A 25 -1.446 -5.913 5.595 1.00 0.00 C ATOM 402 CE1 PHE A 25 -1.893 -3.208 5.373 1.00 0.00 C ATOM 403 CE2 PHE A 25 -0.442 -4.971 5.949 1.00 0.00 C ATOM 404 CZ PHE A 25 -0.687 -3.639 5.830 1.00 0.00 C ATOM 0 H PHE A 25 -4.758 -5.205 2.774 1.00 0.00 H new ATOM 0 HA PHE A 25 -2.720 -7.357 3.021 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -4.712 -6.063 4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -3.631 -7.376 5.389 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -3.854 -3.805 4.656 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -1.252 -6.971 5.690 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -2.088 -2.150 5.279 1.00 0.00 H new ATOM 0 HE2 PHE A 25 0.516 -5.313 6.313 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.076 -2.923 6.098 1.00 0.00 H new ATOM 414 N MET A 26 -4.309 -9.139 2.552 1.00 0.00 N ATOM 415 CA MET A 26 -5.215 -10.242 2.276 1.00 0.00 C ATOM 416 C MET A 26 -5.386 -11.131 3.509 1.00 0.00 C ATOM 417 O MET A 26 -4.520 -11.163 4.382 1.00 0.00 O ATOM 418 CB MET A 26 -4.665 -11.075 1.118 1.00 0.00 C ATOM 419 CG MET A 26 -5.789 -11.507 0.173 1.00 0.00 C ATOM 420 SD MET A 26 -6.161 -13.236 0.416 1.00 0.00 S ATOM 421 CE MET A 26 -6.900 -13.620 -1.162 1.00 0.00 C ATOM 0 H MET A 26 -3.331 -9.325 2.330 1.00 0.00 H new ATOM 0 HA MET A 26 -6.189 -9.831 2.009 1.00 0.00 H new ATOM 0 HB2 MET A 26 -3.924 -10.495 0.567 1.00 0.00 H new ATOM 0 HB3 MET A 26 -4.154 -11.955 1.508 1.00 0.00 H new ATOM 0 HG2 MET A 26 -6.680 -10.906 0.355 1.00 0.00 H new ATOM 0 HG3 MET A 26 -5.493 -11.332 -0.861 1.00 0.00 H new ATOM 0 HE1 MET A 26 -7.193 -14.670 -1.181 1.00 0.00 H new ATOM 0 HE2 MET A 26 -7.780 -12.995 -1.313 1.00 0.00 H new ATOM 0 HE3 MET A 26 -6.179 -13.430 -1.957 1.00 0.00 H new ATOM 431 N MET A 27 -6.509 -11.833 3.541 1.00 0.00 N ATOM 432 CA MET A 27 -6.805 -12.722 4.652 1.00 0.00 C ATOM 433 C MET A 27 -6.195 -12.195 5.953 1.00 0.00 C ATOM 434 O MET A 27 -5.099 -12.600 6.338 1.00 0.00 O ATOM 435 CB MET A 27 -6.249 -14.115 4.355 1.00 0.00 C ATOM 436 CG MET A 27 -7.235 -14.932 3.518 1.00 0.00 C ATOM 437 SD MET A 27 -7.812 -16.339 4.454 1.00 0.00 S ATOM 438 CE MET A 27 -9.355 -15.687 5.073 1.00 0.00 C ATOM 0 H MET A 27 -7.225 -11.804 2.815 1.00 0.00 H new ATOM 0 HA MET A 27 -7.887 -12.772 4.774 1.00 0.00 H new ATOM 0 HB2 MET A 27 -5.301 -14.027 3.824 1.00 0.00 H new ATOM 0 HB3 MET A 27 -6.042 -14.635 5.290 1.00 0.00 H new ATOM 0 HG2 MET A 27 -8.080 -14.309 3.225 1.00 0.00 H new ATOM 0 HG3 MET A 27 -6.754 -15.268 2.600 1.00 0.00 H new ATOM 0 HE1 MET A 27 -9.850 -16.442 5.683 1.00 0.00 H new ATOM 0 HE2 MET A 27 -9.159 -14.802 5.679 1.00 0.00 H new ATOM 0 HE3 MET A 27 -9.999 -15.418 4.235 1.00 0.00 H new ATOM 448 N SER A 28 -6.931 -11.299 6.594 1.00 0.00 N ATOM 449 CA SER A 28 -6.476 -10.712 7.843 1.00 0.00 C ATOM 450 C SER A 28 -5.219 -9.875 7.601 1.00 0.00 C ATOM 451 O SER A 28 -4.341 -10.273 6.836 1.00 0.00 O ATOM 452 CB SER A 28 -6.201 -11.793 8.891 1.00 0.00 C ATOM 453 OG SER A 28 -7.402 -12.373 9.389 1.00 0.00 O ATOM 0 H SER A 28 -7.839 -10.965 6.272 1.00 0.00 H new ATOM 0 HA SER A 28 -7.266 -10.066 8.225 1.00 0.00 H new ATOM 0 HB2 SER A 28 -5.577 -12.572 8.453 1.00 0.00 H new ATOM 0 HB3 SER A 28 -5.637 -11.361 9.718 1.00 0.00 H new ATOM 0 HG SER A 28 -7.183 -13.059 10.054 1.00 0.00 H new ATOM 459 N ASP A 29 -5.171 -8.731 8.267 1.00 0.00 N ATOM 460 CA ASP A 29 -4.035 -7.835 8.133 1.00 0.00 C ATOM 461 C ASP A 29 -3.139 -7.966 9.366 1.00 0.00 C ATOM 462 O ASP A 29 -1.985 -7.541 9.347 1.00 0.00 O ATOM 463 CB ASP A 29 -4.492 -6.377 8.035 1.00 0.00 C ATOM 464 CG ASP A 29 -5.944 -6.126 8.449 1.00 0.00 C ATOM 465 OD1 ASP A 29 -6.831 -6.708 7.789 1.00 0.00 O ATOM 466 OD2 ASP A 29 -6.133 -5.356 9.416 1.00 0.00 O ATOM 0 H ASP A 29 -5.900 -8.404 8.901 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.497 -8.107 7.225 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -3.841 -5.765 8.659 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -4.359 -6.038 7.008 1.00 0.00 H new ATOM 471 N LEU A 30 -3.704 -8.557 10.409 1.00 0.00 N ATOM 472 CA LEU A 30 -2.971 -8.750 11.649 1.00 0.00 C ATOM 473 C LEU A 30 -1.551 -9.223 11.328 1.00 0.00 C ATOM 474 O LEU A 30 -0.623 -8.978 12.095 1.00 0.00 O ATOM 475 CB LEU A 30 -3.736 -9.690 12.582 1.00 0.00 C ATOM 476 CG LEU A 30 -5.099 -9.192 13.065 1.00 0.00 C ATOM 477 CD1 LEU A 30 -5.855 -10.295 13.808 1.00 0.00 C ATOM 478 CD2 LEU A 30 -4.953 -7.927 13.913 1.00 0.00 C ATOM 0 H LEU A 30 -4.661 -8.909 10.421 1.00 0.00 H new ATOM 0 HA LEU A 30 -2.879 -7.807 12.189 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.880 -10.641 12.069 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -3.114 -9.889 13.455 1.00 0.00 H new ATOM 0 HG LEU A 30 -5.693 -8.927 12.191 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.821 -9.914 14.140 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.010 -11.143 13.141 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.274 -10.615 14.673 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -5.937 -7.595 14.243 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -4.332 -8.142 14.783 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -4.486 -7.142 13.318 1.00 0.00 H new ATOM 490 N THR A 31 -1.428 -9.892 10.190 1.00 0.00 N ATOM 491 CA THR A 31 -0.138 -10.401 9.758 1.00 0.00 C ATOM 492 C THR A 31 0.544 -9.401 8.823 1.00 0.00 C ATOM 493 O THR A 31 0.256 -8.206 8.869 1.00 0.00 O ATOM 494 CB THR A 31 -0.360 -11.774 9.120 1.00 0.00 C ATOM 495 OG1 THR A 31 -1.200 -11.506 8.001 1.00 0.00 O ATOM 496 CG2 THR A 31 -1.202 -12.699 10.003 1.00 0.00 C ATOM 0 H THR A 31 -2.200 -10.093 9.555 1.00 0.00 H new ATOM 0 HA THR A 31 0.540 -10.525 10.602 1.00 0.00 H new ATOM 0 HB THR A 31 0.604 -12.241 8.918 1.00 0.00 H new ATOM 0 HG1 THR A 31 -1.392 -12.343 7.529 1.00 0.00 H new ATOM 0 HG21 THR A 31 -1.330 -13.660 9.505 1.00 0.00 H new ATOM 0 HG22 THR A 31 -0.697 -12.849 10.957 1.00 0.00 H new ATOM 0 HG23 THR A 31 -2.179 -12.247 10.176 1.00 0.00 H new ATOM 504 N ILE A 32 1.437 -9.926 7.996 1.00 0.00 N ATOM 505 CA ILE A 32 2.163 -9.094 7.052 1.00 0.00 C ATOM 506 C ILE A 32 1.347 -8.961 5.764 1.00 0.00 C ATOM 507 O ILE A 32 0.566 -9.848 5.426 1.00 0.00 O ATOM 508 CB ILE A 32 3.575 -9.641 6.831 1.00 0.00 C ATOM 509 CG1 ILE A 32 4.619 -8.752 7.510 1.00 0.00 C ATOM 510 CG2 ILE A 32 3.864 -9.829 5.341 1.00 0.00 C ATOM 511 CD1 ILE A 32 4.702 -9.049 9.009 1.00 0.00 C ATOM 0 H ILE A 32 1.674 -10.917 7.961 1.00 0.00 H new ATOM 0 HA ILE A 32 2.294 -8.089 7.453 1.00 0.00 H new ATOM 0 HB ILE A 32 3.637 -10.625 7.297 1.00 0.00 H new ATOM 0 HG12 ILE A 32 5.594 -8.913 7.049 1.00 0.00 H new ATOM 0 HG13 ILE A 32 4.364 -7.703 7.357 1.00 0.00 H new ATOM 0 HG21 ILE A 32 4.874 -10.219 5.213 1.00 0.00 H new ATOM 0 HG22 ILE A 32 3.147 -10.532 4.917 1.00 0.00 H new ATOM 0 HG23 ILE A 32 3.777 -8.870 4.830 1.00 0.00 H new ATOM 0 HD11 ILE A 32 5.451 -8.403 9.467 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.732 -8.864 9.471 1.00 0.00 H new ATOM 0 HD13 ILE A 32 4.982 -10.092 9.158 1.00 0.00 H new ATOM 523 N PRO A 33 1.556 -7.844 5.083 1.00 0.00 N ATOM 524 CA PRO A 33 0.798 -7.555 3.824 1.00 0.00 C ATOM 525 C PRO A 33 0.971 -8.481 2.570 1.00 0.00 C ATOM 526 O PRO A 33 1.760 -9.424 2.596 1.00 0.00 O ATOM 527 CB PRO A 33 1.184 -6.087 3.534 1.00 0.00 C ATOM 528 CG PRO A 33 2.554 -5.880 4.182 1.00 0.00 C ATOM 529 CD PRO A 33 2.521 -6.764 5.428 1.00 0.00 C ATOM 0 HA PRO A 33 -0.258 -7.758 4.003 1.00 0.00 H new ATOM 0 HB2 PRO A 33 1.226 -5.899 2.461 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.447 -5.400 3.949 1.00 0.00 H new ATOM 0 HG2 PRO A 33 3.360 -6.172 3.509 1.00 0.00 H new ATOM 0 HG3 PRO A 33 2.717 -4.834 4.441 1.00 0.00 H new ATOM 0 HD2 PRO A 33 3.507 -7.169 5.656 1.00 0.00 H new ATOM 0 HD3 PRO A 33 2.196 -6.204 6.305 1.00 0.00 H new ATOM 537 N VAL A 34 0.217 -8.160 1.529 1.00 0.00 N ATOM 538 CA VAL A 34 0.275 -8.932 0.299 1.00 0.00 C ATOM 539 C VAL A 34 0.763 -8.033 -0.839 1.00 0.00 C ATOM 540 O VAL A 34 1.567 -8.456 -1.668 1.00 0.00 O ATOM 541 CB VAL A 34 -1.088 -9.567 0.016 1.00 0.00 C ATOM 542 CG1 VAL A 34 -1.375 -10.708 0.995 1.00 0.00 C ATOM 543 CG2 VAL A 34 -2.201 -8.518 0.054 1.00 0.00 C ATOM 0 H VAL A 34 -0.436 -7.377 1.512 1.00 0.00 H new ATOM 0 HA VAL A 34 0.987 -9.751 0.395 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.059 -9.987 -0.989 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.350 -11.142 0.772 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -0.606 -11.474 0.897 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.374 -10.322 2.014 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.159 -8.996 -0.150 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -2.230 -8.054 1.040 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.008 -7.755 -0.700 1.00 0.00 H new ATOM 553 N LYS A 35 0.257 -6.809 -0.843 1.00 0.00 N ATOM 554 CA LYS A 35 0.631 -5.847 -1.865 1.00 0.00 C ATOM 555 C LYS A 35 0.525 -4.432 -1.291 1.00 0.00 C ATOM 556 O LYS A 35 -0.239 -4.193 -0.357 1.00 0.00 O ATOM 557 CB LYS A 35 -0.200 -6.060 -3.131 1.00 0.00 C ATOM 558 CG LYS A 35 -1.641 -5.588 -2.929 1.00 0.00 C ATOM 559 CD LYS A 35 -2.485 -5.852 -4.177 1.00 0.00 C ATOM 560 CE LYS A 35 -2.207 -4.805 -5.259 1.00 0.00 C ATOM 561 NZ LYS A 35 -2.297 -5.416 -6.604 1.00 0.00 N ATOM 0 H LYS A 35 -0.410 -6.461 -0.154 1.00 0.00 H new ATOM 0 HA LYS A 35 1.669 -5.994 -2.164 1.00 0.00 H new ATOM 0 HB2 LYS A 35 0.251 -5.517 -3.962 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.194 -7.116 -3.400 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -2.079 -6.102 -2.074 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -1.649 -4.523 -2.699 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.267 -6.847 -4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -3.543 -5.837 -3.915 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -2.923 -3.988 -5.175 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -1.216 -4.376 -5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -2.106 -4.693 -7.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -1.597 -6.181 -6.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -3.251 -5.804 -6.746 1.00 0.00 H new ATOM 575 N ARG A 36 1.302 -3.532 -1.875 1.00 0.00 N ATOM 576 CA ARG A 36 1.305 -2.147 -1.433 1.00 0.00 C ATOM 577 C ARG A 36 1.993 -1.260 -2.472 1.00 0.00 C ATOM 578 O ARG A 36 3.060 -1.605 -2.979 1.00 0.00 O ATOM 579 CB ARG A 36 2.023 -1.998 -0.090 1.00 0.00 C ATOM 580 CG ARG A 36 3.500 -2.376 -0.214 1.00 0.00 C ATOM 581 CD ARG A 36 3.872 -3.473 0.786 1.00 0.00 C ATOM 582 NE ARG A 36 4.617 -2.889 1.924 1.00 0.00 N ATOM 583 CZ ARG A 36 4.042 -2.460 3.056 1.00 0.00 C ATOM 584 NH1 ARG A 36 2.714 -2.545 3.208 1.00 0.00 N ATOM 585 NH2 ARG A 36 4.797 -1.944 4.036 1.00 0.00 N ATOM 0 H ARG A 36 1.934 -3.734 -2.650 1.00 0.00 H new ATOM 0 HA ARG A 36 0.267 -1.835 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 36 1.935 -0.970 0.261 1.00 0.00 H new ATOM 0 HB3 ARG A 36 1.543 -2.632 0.656 1.00 0.00 H new ATOM 0 HG2 ARG A 36 3.707 -2.718 -1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.120 -1.496 -0.041 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.971 -3.969 1.147 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.479 -4.233 0.295 1.00 0.00 H new ATOM 0 HE ARG A 36 5.630 -2.808 1.842 1.00 0.00 H new ATOM 0 HH11 ARG A 36 2.139 -2.937 2.462 1.00 0.00 H new ATOM 0 HH12 ARG A 36 2.277 -2.218 4.070 1.00 0.00 H new ATOM 0 HH21 ARG A 36 5.808 -1.878 3.920 1.00 0.00 H new ATOM 0 HH22 ARG A 36 4.360 -1.617 4.898 1.00 0.00 H new ATOM 599 N GLY A 37 1.356 -0.134 -2.759 1.00 0.00 N ATOM 600 CA GLY A 37 1.894 0.805 -3.729 1.00 0.00 C ATOM 601 C GLY A 37 1.353 2.215 -3.484 1.00 0.00 C ATOM 602 O GLY A 37 0.906 2.530 -2.382 1.00 0.00 O ATOM 0 H GLY A 37 0.472 0.149 -2.337 1.00 0.00 H new ATOM 0 HA2 GLY A 37 2.982 0.813 -3.668 1.00 0.00 H new ATOM 0 HA3 GLY A 37 1.634 0.482 -4.737 1.00 0.00 H new ATOM 606 N CYS A 38 1.410 3.026 -4.530 1.00 0.00 N ATOM 607 CA CYS A 38 0.932 4.395 -4.444 1.00 0.00 C ATOM 608 C CYS A 38 -0.413 4.481 -5.167 1.00 0.00 C ATOM 609 O CYS A 38 -0.779 3.575 -5.915 1.00 0.00 O ATOM 610 CB CYS A 38 1.949 5.387 -5.012 1.00 0.00 C ATOM 611 SG CYS A 38 3.695 5.015 -4.603 1.00 0.00 S ATOM 0 H CYS A 38 1.780 2.761 -5.443 1.00 0.00 H new ATOM 0 HA CYS A 38 0.800 4.671 -3.398 1.00 0.00 H new ATOM 0 HB2 CYS A 38 1.842 5.414 -6.096 1.00 0.00 H new ATOM 0 HB3 CYS A 38 1.708 6.384 -4.643 1.00 0.00 H new ATOM 616 N ILE A 39 -1.114 5.577 -4.917 1.00 0.00 N ATOM 617 CA ILE A 39 -2.412 5.792 -5.535 1.00 0.00 C ATOM 618 C ILE A 39 -2.795 7.268 -5.403 1.00 0.00 C ATOM 619 O ILE A 39 -2.073 8.048 -4.786 1.00 0.00 O ATOM 620 CB ILE A 39 -3.450 4.832 -4.951 1.00 0.00 C ATOM 621 CG1 ILE A 39 -4.667 4.717 -5.869 1.00 0.00 C ATOM 622 CG2 ILE A 39 -3.839 5.245 -3.530 1.00 0.00 C ATOM 623 CD1 ILE A 39 -5.167 3.273 -5.939 1.00 0.00 C ATOM 0 H ILE A 39 -0.808 6.326 -4.295 1.00 0.00 H new ATOM 0 HA ILE A 39 -2.369 5.567 -6.601 1.00 0.00 H new ATOM 0 HB ILE A 39 -3.002 3.841 -4.886 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.464 5.364 -5.504 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -4.407 5.064 -6.869 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -4.578 4.547 -3.138 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -2.955 5.234 -2.893 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -4.262 6.250 -3.546 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -6.033 3.219 -6.599 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -4.375 2.632 -6.327 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.449 2.937 -4.941 1.00 0.00 H new ATOM 635 N ASP A 40 -3.933 7.605 -5.993 1.00 0.00 N ATOM 636 CA ASP A 40 -4.422 8.973 -5.949 1.00 0.00 C ATOM 637 C ASP A 40 -5.690 9.029 -5.097 1.00 0.00 C ATOM 638 O ASP A 40 -5.912 9.997 -4.370 1.00 0.00 O ATOM 639 CB ASP A 40 -4.771 9.478 -7.351 1.00 0.00 C ATOM 640 CG ASP A 40 -5.300 10.912 -7.408 1.00 0.00 C ATOM 641 OD1 ASP A 40 -4.631 11.788 -6.818 1.00 0.00 O ATOM 642 OD2 ASP A 40 -6.362 11.101 -8.040 1.00 0.00 O ATOM 0 H ASP A 40 -4.530 6.955 -6.504 1.00 0.00 H new ATOM 0 HA ASP A 40 -3.637 9.599 -5.525 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -3.882 9.410 -7.977 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.518 8.813 -7.785 1.00 0.00 H new ATOM 647 N VAL A 41 -6.490 7.980 -5.213 1.00 0.00 N ATOM 648 CA VAL A 41 -7.732 7.897 -4.461 1.00 0.00 C ATOM 649 C VAL A 41 -7.890 6.482 -3.900 1.00 0.00 C ATOM 650 O VAL A 41 -7.812 5.504 -4.642 1.00 0.00 O ATOM 651 CB VAL A 41 -8.906 8.326 -5.342 1.00 0.00 C ATOM 652 CG1 VAL A 41 -10.242 8.028 -4.659 1.00 0.00 C ATOM 653 CG2 VAL A 41 -8.800 9.806 -5.716 1.00 0.00 C ATOM 0 H VAL A 41 -6.303 7.179 -5.817 1.00 0.00 H new ATOM 0 HA VAL A 41 -7.712 8.582 -3.613 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.863 7.744 -6.263 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -11.060 8.343 -5.307 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.322 6.958 -4.467 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.297 8.571 -3.715 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -9.647 10.085 -6.343 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -8.804 10.412 -4.810 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -7.873 9.978 -6.263 1.00 0.00 H new ATOM 663 N CYS A 42 -8.110 6.420 -2.595 1.00 0.00 N ATOM 664 CA CYS A 42 -8.280 5.141 -1.926 1.00 0.00 C ATOM 665 C CYS A 42 -9.554 4.485 -2.461 1.00 0.00 C ATOM 666 O CYS A 42 -10.645 5.038 -2.329 1.00 0.00 O ATOM 667 CB CYS A 42 -8.316 5.299 -0.404 1.00 0.00 C ATOM 668 SG CYS A 42 -7.919 3.779 0.535 1.00 0.00 S ATOM 0 H CYS A 42 -8.174 7.234 -1.983 1.00 0.00 H new ATOM 0 HA CYS A 42 -7.425 4.500 -2.139 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -7.612 6.081 -0.117 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -9.309 5.641 -0.112 1.00 0.00 H new ATOM 673 N PRO A 43 -9.374 3.314 -3.055 1.00 0.00 N ATOM 674 CA PRO A 43 -10.530 2.402 -3.329 1.00 0.00 C ATOM 675 C PRO A 43 -11.363 1.809 -2.140 1.00 0.00 C ATOM 676 O PRO A 43 -10.997 1.974 -0.978 1.00 0.00 O ATOM 677 CB PRO A 43 -9.884 1.304 -4.206 1.00 0.00 C ATOM 678 CG PRO A 43 -8.545 1.877 -4.674 1.00 0.00 C ATOM 679 CD PRO A 43 -8.093 2.771 -3.521 1.00 0.00 C ATOM 0 HA PRO A 43 -11.331 2.985 -3.784 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -9.739 0.385 -3.638 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -10.521 1.057 -5.055 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -7.821 1.086 -4.871 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -8.656 2.445 -5.598 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -7.578 2.208 -2.742 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -7.411 3.554 -3.852 1.00 0.00 H new ATOM 687 N LYS A 44 -12.450 1.141 -2.497 1.00 0.00 N ATOM 688 CA LYS A 44 -13.318 0.537 -1.500 1.00 0.00 C ATOM 689 C LYS A 44 -12.656 -0.730 -0.954 1.00 0.00 C ATOM 690 O LYS A 44 -12.258 -1.606 -1.720 1.00 0.00 O ATOM 691 CB LYS A 44 -14.715 0.299 -2.078 1.00 0.00 C ATOM 692 CG LYS A 44 -15.338 1.612 -2.561 1.00 0.00 C ATOM 693 CD LYS A 44 -15.291 1.712 -4.087 1.00 0.00 C ATOM 694 CE LYS A 44 -16.001 0.523 -4.737 1.00 0.00 C ATOM 695 NZ LYS A 44 -17.162 0.983 -5.530 1.00 0.00 N ATOM 0 H LYS A 44 -12.750 1.005 -3.462 1.00 0.00 H new ATOM 0 HA LYS A 44 -13.458 1.214 -0.657 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -14.655 -0.406 -2.907 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -15.354 -0.154 -1.320 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -16.371 1.675 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -14.805 2.455 -2.121 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -15.761 2.641 -4.409 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -14.254 1.748 -4.421 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -15.305 -0.017 -5.379 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -16.332 -0.175 -3.968 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -17.632 0.163 -5.964 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -17.833 1.478 -4.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -16.838 1.631 -6.276 1.00 0.00 H new ATOM 709 N ASN A 45 -12.557 -0.786 0.366 1.00 0.00 N ATOM 710 CA ASN A 45 -11.950 -1.930 1.023 1.00 0.00 C ATOM 711 C ASN A 45 -12.927 -3.108 0.992 1.00 0.00 C ATOM 712 O ASN A 45 -14.110 -2.932 0.704 1.00 0.00 O ATOM 713 CB ASN A 45 -11.632 -1.620 2.487 1.00 0.00 C ATOM 714 CG ASN A 45 -10.974 -2.820 3.172 1.00 0.00 C ATOM 715 OD1 ASN A 45 -10.292 -3.622 2.556 1.00 0.00 O ATOM 716 ND2 ASN A 45 -11.215 -2.897 4.478 1.00 0.00 N ATOM 0 H ASN A 45 -12.887 -0.057 0.998 1.00 0.00 H new ATOM 0 HA ASN A 45 -11.027 -2.170 0.496 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -10.970 -0.756 2.544 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.549 -1.354 3.013 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -10.820 -3.661 5.025 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -11.795 -2.192 4.932 1.00 0.00 H new ATOM 723 N SER A 46 -12.395 -4.285 1.291 1.00 0.00 N ATOM 724 CA SER A 46 -13.203 -5.492 1.300 1.00 0.00 C ATOM 725 C SER A 46 -13.095 -6.184 2.660 1.00 0.00 C ATOM 726 O SER A 46 -12.510 -5.637 3.594 1.00 0.00 O ATOM 727 CB SER A 46 -12.780 -6.447 0.183 1.00 0.00 C ATOM 728 OG SER A 46 -11.693 -7.280 0.576 1.00 0.00 O ATOM 0 H SER A 46 -11.413 -4.428 1.529 1.00 0.00 H new ATOM 0 HA SER A 46 -14.241 -5.209 1.125 1.00 0.00 H new ATOM 0 HB2 SER A 46 -13.628 -7.069 -0.103 1.00 0.00 H new ATOM 0 HB3 SER A 46 -12.496 -5.871 -0.698 1.00 0.00 H new ATOM 0 HG SER A 46 -11.907 -8.215 0.374 1.00 0.00 H new ATOM 734 N LEU A 47 -13.667 -7.377 2.728 1.00 0.00 N ATOM 735 CA LEU A 47 -13.642 -8.149 3.959 1.00 0.00 C ATOM 736 C LEU A 47 -12.507 -9.172 3.890 1.00 0.00 C ATOM 737 O LEU A 47 -11.867 -9.464 4.900 1.00 0.00 O ATOM 738 CB LEU A 47 -15.014 -8.771 4.228 1.00 0.00 C ATOM 739 CG LEU A 47 -15.006 -10.151 4.889 1.00 0.00 C ATOM 740 CD1 LEU A 47 -14.504 -10.067 6.331 1.00 0.00 C ATOM 741 CD2 LEU A 47 -16.385 -10.809 4.800 1.00 0.00 C ATOM 0 H LEU A 47 -14.150 -7.828 1.951 1.00 0.00 H new ATOM 0 HA LEU A 47 -13.438 -7.501 4.812 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -15.582 -8.090 4.862 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -15.549 -8.846 3.281 1.00 0.00 H new ATOM 0 HG LEU A 47 -14.309 -10.786 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -14.509 -11.062 6.776 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -13.489 -9.670 6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -15.156 -9.409 6.906 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -16.352 -11.789 5.277 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -17.120 -10.183 5.306 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -16.666 -10.925 3.753 1.00 0.00 H new ATOM 753 N LEU A 48 -12.289 -9.688 2.689 1.00 0.00 N ATOM 754 CA LEU A 48 -11.241 -10.672 2.476 1.00 0.00 C ATOM 755 C LEU A 48 -9.891 -9.958 2.372 1.00 0.00 C ATOM 756 O LEU A 48 -8.846 -10.606 2.316 1.00 0.00 O ATOM 757 CB LEU A 48 -11.568 -11.550 1.266 1.00 0.00 C ATOM 758 CG LEU A 48 -11.127 -13.012 1.359 1.00 0.00 C ATOM 759 CD1 LEU A 48 -9.620 -13.115 1.603 1.00 0.00 C ATOM 760 CD2 LEU A 48 -11.933 -13.761 2.422 1.00 0.00 C ATOM 0 H LEU A 48 -12.820 -9.443 1.853 1.00 0.00 H new ATOM 0 HA LEU A 48 -11.178 -11.352 3.326 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -12.646 -11.526 1.105 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -11.104 -11.107 0.385 1.00 0.00 H new ATOM 0 HG LEU A 48 -11.332 -13.493 0.402 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.332 -14.165 1.665 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -9.085 -12.640 0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -9.368 -12.614 2.537 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.600 -14.798 2.468 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.783 -13.288 3.393 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.992 -13.731 2.164 1.00 0.00 H new ATOM 772 N VAL A 49 -9.957 -8.635 2.348 1.00 0.00 N ATOM 773 CA VAL A 49 -8.754 -7.828 2.251 1.00 0.00 C ATOM 774 C VAL A 49 -8.941 -6.542 3.058 1.00 0.00 C ATOM 775 O VAL A 49 -10.061 -6.204 3.443 1.00 0.00 O ATOM 776 CB VAL A 49 -8.415 -7.567 0.782 1.00 0.00 C ATOM 777 CG1 VAL A 49 -6.933 -7.229 0.613 1.00 0.00 C ATOM 778 CG2 VAL A 49 -8.808 -8.761 -0.092 1.00 0.00 C ATOM 0 H VAL A 49 -10.826 -8.102 2.394 1.00 0.00 H new ATOM 0 HA VAL A 49 -7.903 -8.359 2.678 1.00 0.00 H new ATOM 0 HB VAL A 49 -8.995 -6.705 0.453 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -6.719 -7.048 -0.440 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -6.695 -6.335 1.190 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -6.327 -8.062 0.968 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -8.556 -8.550 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.268 -9.648 0.239 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.880 -8.937 -0.007 1.00 0.00 H new ATOM 788 N LYS A 50 -7.830 -5.860 3.292 1.00 0.00 N ATOM 789 CA LYS A 50 -7.857 -4.619 4.047 1.00 0.00 C ATOM 790 C LYS A 50 -7.047 -3.556 3.303 1.00 0.00 C ATOM 791 O LYS A 50 -5.883 -3.776 2.973 1.00 0.00 O ATOM 792 CB LYS A 50 -7.388 -4.855 5.485 1.00 0.00 C ATOM 793 CG LYS A 50 -7.751 -3.670 6.382 1.00 0.00 C ATOM 794 CD LYS A 50 -8.888 -4.033 7.338 1.00 0.00 C ATOM 795 CE LYS A 50 -9.182 -2.883 8.302 1.00 0.00 C ATOM 796 NZ LYS A 50 -9.796 -1.745 7.582 1.00 0.00 N ATOM 0 H LYS A 50 -6.904 -6.144 2.972 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.878 -4.245 4.127 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -7.845 -5.764 5.875 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -6.309 -5.009 5.499 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -6.876 -3.361 6.953 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.046 -2.820 5.766 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.785 -4.272 6.767 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.622 -4.927 7.903 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -9.851 -3.225 9.091 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -8.259 -2.560 8.784 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.112 -1.030 8.268 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.096 -1.322 6.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -10.612 -2.082 7.032 1.00 0.00 H new ATOM 810 N TYR A 51 -7.695 -2.426 3.059 1.00 0.00 N ATOM 811 CA TYR A 51 -7.049 -1.328 2.360 1.00 0.00 C ATOM 812 C TYR A 51 -6.618 -0.234 3.338 1.00 0.00 C ATOM 813 O TYR A 51 -7.457 0.479 3.887 1.00 0.00 O ATOM 814 CB TYR A 51 -8.101 -0.759 1.407 1.00 0.00 C ATOM 815 CG TYR A 51 -8.186 -1.490 0.066 1.00 0.00 C ATOM 816 CD1 TYR A 51 -8.273 -2.868 0.035 1.00 0.00 C ATOM 817 CD2 TYR A 51 -8.177 -0.773 -1.113 1.00 0.00 C ATOM 818 CE1 TYR A 51 -8.353 -3.556 -1.227 1.00 0.00 C ATOM 819 CE2 TYR A 51 -8.258 -1.462 -2.375 1.00 0.00 C ATOM 820 CZ TYR A 51 -8.342 -2.819 -2.370 1.00 0.00 C ATOM 821 OH TYR A 51 -8.418 -3.470 -3.562 1.00 0.00 O ATOM 0 H TYR A 51 -8.661 -2.247 3.333 1.00 0.00 H new ATOM 0 HA TYR A 51 -6.157 -1.676 1.839 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -9.076 -0.798 1.893 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -7.879 0.292 1.223 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -8.281 -3.429 0.958 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -8.109 0.305 -1.089 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -8.420 -4.633 -1.265 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.252 -0.913 -3.305 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.401 -2.817 -4.293 1.00 0.00 H new ATOM 831 N VAL A 52 -5.310 -0.134 3.526 1.00 0.00 N ATOM 832 CA VAL A 52 -4.757 0.862 4.428 1.00 0.00 C ATOM 833 C VAL A 52 -4.050 1.945 3.612 1.00 0.00 C ATOM 834 O VAL A 52 -2.908 1.764 3.191 1.00 0.00 O ATOM 835 CB VAL A 52 -3.840 0.189 5.452 1.00 0.00 C ATOM 836 CG1 VAL A 52 -3.664 1.070 6.690 1.00 0.00 C ATOM 837 CG2 VAL A 52 -4.367 -1.195 5.833 1.00 0.00 C ATOM 0 H VAL A 52 -4.617 -0.727 3.069 1.00 0.00 H new ATOM 0 HA VAL A 52 -5.551 1.348 4.994 1.00 0.00 H new ATOM 0 HB VAL A 52 -2.861 0.058 4.992 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -3.008 0.570 7.402 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.223 2.023 6.399 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.635 1.246 7.152 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.697 -1.651 6.562 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -5.363 -1.099 6.266 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.417 -1.823 4.943 1.00 0.00 H new ATOM 847 N CYS A 53 -4.756 3.049 3.414 1.00 0.00 N ATOM 848 CA CYS A 53 -4.209 4.161 2.655 1.00 0.00 C ATOM 849 C CYS A 53 -3.581 5.150 3.639 1.00 0.00 C ATOM 850 O CYS A 53 -3.989 5.223 4.798 1.00 0.00 O ATOM 851 CB CYS A 53 -5.273 4.826 1.780 1.00 0.00 C ATOM 852 SG CYS A 53 -5.821 3.828 0.347 1.00 0.00 S ATOM 0 H CYS A 53 -5.702 3.197 3.766 1.00 0.00 H new ATOM 0 HA CYS A 53 -3.445 3.796 1.969 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.141 5.055 2.399 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -4.882 5.776 1.415 1.00 0.00 H new ATOM 857 N CYS A 54 -2.598 5.886 3.142 1.00 0.00 N ATOM 858 CA CYS A 54 -1.909 6.867 3.963 1.00 0.00 C ATOM 859 C CYS A 54 -1.336 7.947 3.042 1.00 0.00 C ATOM 860 O CYS A 54 -1.361 7.803 1.821 1.00 0.00 O ATOM 861 CB CYS A 54 -0.825 6.220 4.828 1.00 0.00 C ATOM 862 SG CYS A 54 -0.339 4.534 4.314 1.00 0.00 S ATOM 0 H CYS A 54 -2.262 5.823 2.181 1.00 0.00 H new ATOM 0 HA CYS A 54 -2.614 7.321 4.660 1.00 0.00 H new ATOM 0 HB2 CYS A 54 0.059 6.858 4.815 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.177 6.183 5.859 1.00 0.00 H new ATOM 867 N ASN A 55 -0.833 9.003 3.664 1.00 0.00 N ATOM 868 CA ASN A 55 -0.253 10.106 2.916 1.00 0.00 C ATOM 869 C ASN A 55 1.074 10.510 3.557 1.00 0.00 C ATOM 870 O ASN A 55 1.518 11.648 3.411 1.00 0.00 O ATOM 871 CB ASN A 55 -1.177 11.326 2.929 1.00 0.00 C ATOM 872 CG ASN A 55 -1.159 12.011 4.297 1.00 0.00 C ATOM 873 OD1 ASN A 55 -1.290 11.384 5.336 1.00 0.00 O ATOM 874 ND2 ASN A 55 -0.991 13.329 4.239 1.00 0.00 N ATOM 0 H ASN A 55 -0.815 9.118 4.677 1.00 0.00 H new ATOM 0 HA ASN A 55 -0.106 9.776 1.888 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -0.864 12.032 2.160 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -2.194 11.019 2.685 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -0.966 13.878 5.098 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -0.888 13.791 3.335 1.00 0.00 H new ATOM 881 N THR A 56 1.673 9.557 4.255 1.00 0.00 N ATOM 882 CA THR A 56 2.942 9.800 4.919 1.00 0.00 C ATOM 883 C THR A 56 4.068 9.040 4.215 1.00 0.00 C ATOM 884 O THR A 56 3.899 7.880 3.840 1.00 0.00 O ATOM 885 CB THR A 56 2.784 9.420 6.394 1.00 0.00 C ATOM 886 OG1 THR A 56 2.335 8.069 6.358 1.00 0.00 O ATOM 887 CG2 THR A 56 1.640 10.176 7.072 1.00 0.00 C ATOM 0 H THR A 56 1.303 8.614 4.375 1.00 0.00 H new ATOM 0 HA THR A 56 3.220 10.853 4.866 1.00 0.00 H new ATOM 0 HB THR A 56 3.716 9.620 6.923 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.208 7.742 7.273 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.570 9.870 8.116 1.00 0.00 H new ATOM 0 HG22 THR A 56 1.831 11.248 7.020 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.703 9.949 6.564 1.00 0.00 H new ATOM 895 N ASP A 57 5.191 9.725 4.055 1.00 0.00 N ATOM 896 CA ASP A 57 6.344 9.129 3.402 1.00 0.00 C ATOM 897 C ASP A 57 6.807 7.912 4.204 1.00 0.00 C ATOM 898 O ASP A 57 7.172 8.036 5.372 1.00 0.00 O ATOM 899 CB ASP A 57 7.508 10.119 3.330 1.00 0.00 C ATOM 900 CG ASP A 57 7.145 11.509 2.802 1.00 0.00 C ATOM 901 OD1 ASP A 57 6.904 11.606 1.580 1.00 0.00 O ATOM 902 OD2 ASP A 57 7.116 12.442 3.633 1.00 0.00 O ATOM 0 H ASP A 57 5.327 10.687 4.366 1.00 0.00 H new ATOM 0 HA ASP A 57 6.050 8.844 2.392 1.00 0.00 H new ATOM 0 HB2 ASP A 57 7.936 10.226 4.327 1.00 0.00 H new ATOM 0 HB3 ASP A 57 8.285 9.697 2.693 1.00 0.00 H new ATOM 907 N ARG A 58 6.778 6.763 3.545 1.00 0.00 N ATOM 908 CA ARG A 58 7.190 5.524 4.182 1.00 0.00 C ATOM 909 C ARG A 58 6.117 5.049 5.163 1.00 0.00 C ATOM 910 O ARG A 58 6.434 4.544 6.240 1.00 0.00 O ATOM 911 CB ARG A 58 8.512 5.703 4.931 1.00 0.00 C ATOM 912 CG ARG A 58 9.453 6.637 4.167 1.00 0.00 C ATOM 913 CD ARG A 58 10.906 6.422 4.595 1.00 0.00 C ATOM 914 NE ARG A 58 11.395 7.604 5.339 1.00 0.00 N ATOM 915 CZ ARG A 58 12.434 7.581 6.186 1.00 0.00 C ATOM 916 NH1 ARG A 58 13.100 6.437 6.398 1.00 0.00 N ATOM 917 NH2 ARG A 58 12.808 8.701 6.819 1.00 0.00 N ATOM 0 H ARG A 58 6.475 6.664 2.576 1.00 0.00 H new ATOM 0 HA ARG A 58 7.327 4.778 3.399 1.00 0.00 H new ATOM 0 HB2 ARG A 58 8.319 6.108 5.924 1.00 0.00 H new ATOM 0 HB3 ARG A 58 8.990 4.733 5.069 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.356 6.460 3.096 1.00 0.00 H new ATOM 0 HG3 ARG A 58 9.167 7.673 4.346 1.00 0.00 H new ATOM 0 HD2 ARG A 58 10.982 5.532 5.220 1.00 0.00 H new ATOM 0 HD3 ARG A 58 11.530 6.250 3.718 1.00 0.00 H new ATOM 0 HE ARG A 58 10.912 8.491 5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.816 5.585 5.915 1.00 0.00 H new ATOM 0 HH12 ARG A 58 13.891 6.419 7.042 1.00 0.00 H new ATOM 0 HH21 ARG A 58 12.302 9.572 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 58 13.599 8.683 7.463 1.00 0.00 H new ATOM 931 N CYS A 59 4.868 5.227 4.756 1.00 0.00 N ATOM 932 CA CYS A 59 3.746 4.822 5.587 1.00 0.00 C ATOM 933 C CYS A 59 3.623 3.299 5.518 1.00 0.00 C ATOM 934 O CYS A 59 3.376 2.647 6.531 1.00 0.00 O ATOM 935 CB CYS A 59 2.451 5.520 5.165 1.00 0.00 C ATOM 936 SG CYS A 59 1.573 4.729 3.768 1.00 0.00 S ATOM 0 H CYS A 59 4.609 5.646 3.863 1.00 0.00 H new ATOM 0 HA CYS A 59 3.925 5.124 6.619 1.00 0.00 H new ATOM 0 HB2 CYS A 59 1.779 5.559 6.023 1.00 0.00 H new ATOM 0 HB3 CYS A 59 2.682 6.550 4.894 1.00 0.00 H new ATOM 941 N ASN A 60 3.799 2.776 4.313 1.00 0.00 N ATOM 942 CA ASN A 60 3.711 1.342 4.100 1.00 0.00 C ATOM 943 C ASN A 60 5.093 0.716 4.295 1.00 0.00 C ATOM 944 O ASN A 60 5.591 0.639 5.416 1.00 0.00 O ATOM 945 CB ASN A 60 3.244 1.025 2.679 1.00 0.00 C ATOM 946 CG ASN A 60 4.350 1.312 1.661 1.00 0.00 C ATOM 947 OD1 ASN A 60 5.414 1.812 1.986 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.040 0.969 0.414 1.00 0.00 N ATOM 0 H ASN A 60 4.002 3.320 3.475 1.00 0.00 H new ATOM 0 HA ASN A 60 2.993 0.938 4.814 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.949 -0.022 2.615 1.00 0.00 H new ATOM 0 HB3 ASN A 60 2.362 1.620 2.441 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.712 1.121 -0.339 1.00 0.00 H new ATOM 0 HD22 ASN A 60 3.131 0.554 0.210 1.00 0.00 H new