USER MOD reduce.3.24.130724 H: found=0, std=0, add=424, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 421 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 7 SER OG : rot -45:sc= 1.58 USER MOD Set 1.2: A 9 ASN : amide:sc= 0 X(o=1.6,f=1.9) USER MOD Single : A 1 GLU N :NH3+ -165:sc= 0 (180deg=-0.237) USER MOD Single : A 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 GLN : amide:sc= -1.7 K(o=-1.7,f=-8.1!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 TYR OH : rot -156:sc= 0.0899 USER MOD Single : A 25 HIS : no HE2:sc= -10.5! C(o=-11!,f=-8.9!) USER MOD Single : A 27 THR OG1 : rot 170:sc= -0.603! USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -3.93 K(o=-3.9,f=-13!) USER MOD Single : A 33 ASN : amide:sc= -1.07 K(o=-1.1,f=-3.9!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 GLN : amide:sc= 0.465 X(o=0.46,f=-0.0093) USER MOD Single : A 57 CYS SG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= -0.125 USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 5.891 -11.964 17.175 1.00 0.00 N ATOM 2 CA GLU A 1 6.853 -11.522 18.171 1.00 0.00 C ATOM 3 C GLU A 1 6.667 -10.032 18.464 1.00 0.00 C ATOM 4 O GLU A 1 6.760 -9.606 19.614 1.00 0.00 O ATOM 5 CB GLU A 1 8.285 -11.817 17.718 1.00 0.00 C ATOM 6 CG GLU A 1 8.966 -12.806 18.666 1.00 0.00 C ATOM 7 CD GLU A 1 10.477 -12.570 18.711 1.00 0.00 C ATOM 8 OE1 GLU A 1 11.159 -13.080 17.796 1.00 0.00 O ATOM 9 OE2 GLU A 1 10.917 -11.885 19.660 1.00 0.00 O ATOM 0 H1 GLU A 1 5.851 -13.003 17.168 1.00 0.00 H new ATOM 0 H2 GLU A 1 4.952 -11.583 17.407 1.00 0.00 H new ATOM 0 H3 GLU A 1 6.181 -11.623 16.236 1.00 0.00 H new ATOM 0 HA GLU A 1 6.676 -12.078 19.091 1.00 0.00 H new ATOM 0 HB2 GLU A 1 8.274 -12.225 16.707 1.00 0.00 H new ATOM 0 HB3 GLU A 1 8.857 -10.890 17.681 1.00 0.00 H new ATOM 0 HG2 GLU A 1 8.548 -12.702 19.667 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.763 -13.826 18.340 1.00 0.00 H new ATOM 16 N GLU A 2 6.408 -9.281 17.404 1.00 0.00 N ATOM 17 CA GLU A 2 6.209 -7.847 17.533 1.00 0.00 C ATOM 18 C GLU A 2 5.676 -7.265 16.223 1.00 0.00 C ATOM 19 O GLU A 2 4.611 -6.650 16.200 1.00 0.00 O ATOM 20 CB GLU A 2 7.503 -7.149 17.957 1.00 0.00 C ATOM 21 CG GLU A 2 8.670 -7.566 17.060 1.00 0.00 C ATOM 22 CD GLU A 2 9.983 -7.589 17.844 1.00 0.00 C ATOM 23 OE1 GLU A 2 10.216 -6.614 18.591 1.00 0.00 O ATOM 24 OE2 GLU A 2 10.725 -8.582 17.679 1.00 0.00 O ATOM 0 H GLU A 2 6.331 -9.638 16.452 1.00 0.00 H new ATOM 0 HA GLU A 2 5.468 -7.672 18.313 1.00 0.00 H new ATOM 0 HB2 GLU A 2 7.370 -6.068 17.908 1.00 0.00 H new ATOM 0 HB3 GLU A 2 7.731 -7.396 18.994 1.00 0.00 H new ATOM 0 HG2 GLU A 2 8.476 -8.553 16.640 1.00 0.00 H new ATOM 0 HG3 GLU A 2 8.755 -6.874 16.222 1.00 0.00 H new ATOM 31 N TYR A 3 6.441 -7.480 15.163 1.00 0.00 N ATOM 32 CA TYR A 3 6.060 -6.984 13.851 1.00 0.00 C ATOM 33 C TYR A 3 5.355 -8.071 13.037 1.00 0.00 C ATOM 34 O TYR A 3 6.008 -8.879 12.378 1.00 0.00 O ATOM 35 CB TYR A 3 7.364 -6.602 13.148 1.00 0.00 C ATOM 36 CG TYR A 3 7.269 -6.595 11.622 1.00 0.00 C ATOM 37 CD1 TYR A 3 6.079 -6.264 11.005 1.00 0.00 C ATOM 38 CD2 TYR A 3 8.374 -6.919 10.860 1.00 0.00 C ATOM 39 CE1 TYR A 3 5.990 -6.257 9.568 1.00 0.00 C ATOM 40 CE2 TYR A 3 8.284 -6.912 9.423 1.00 0.00 C ATOM 41 CZ TYR A 3 7.097 -6.582 8.848 1.00 0.00 C ATOM 42 OH TYR A 3 7.013 -6.575 7.491 1.00 0.00 O ATOM 0 H TYR A 3 7.323 -7.991 15.186 1.00 0.00 H new ATOM 0 HA TYR A 3 5.374 -6.142 13.944 1.00 0.00 H new ATOM 0 HB2 TYR A 3 7.671 -5.613 13.487 1.00 0.00 H new ATOM 0 HB3 TYR A 3 8.145 -7.299 13.450 1.00 0.00 H new ATOM 0 HD1 TYR A 3 5.215 -6.010 11.601 1.00 0.00 H new ATOM 0 HD2 TYR A 3 9.305 -7.178 11.342 1.00 0.00 H new ATOM 0 HE1 TYR A 3 5.065 -6.000 9.073 1.00 0.00 H new ATOM 0 HE2 TYR A 3 9.141 -7.163 8.815 1.00 0.00 H new ATOM 0 HH TYR A 3 7.880 -6.826 7.108 1.00 0.00 H new ATOM 52 N VAL A 4 4.032 -8.058 13.111 1.00 0.00 N ATOM 53 CA VAL A 4 3.233 -9.033 12.389 1.00 0.00 C ATOM 54 C VAL A 4 1.979 -8.350 11.838 1.00 0.00 C ATOM 55 O VAL A 4 0.871 -8.862 11.990 1.00 0.00 O ATOM 56 CB VAL A 4 2.915 -10.223 13.297 1.00 0.00 C ATOM 57 CG1 VAL A 4 4.035 -11.264 13.247 1.00 0.00 C ATOM 58 CG2 VAL A 4 2.656 -9.764 14.733 1.00 0.00 C ATOM 0 H VAL A 4 3.494 -7.388 13.660 1.00 0.00 H new ATOM 0 HA VAL A 4 3.788 -9.429 11.539 1.00 0.00 H new ATOM 0 HB VAL A 4 2.004 -10.693 12.927 1.00 0.00 H new ATOM 0 HG11 VAL A 4 3.785 -12.099 13.901 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.151 -11.625 12.225 1.00 0.00 H new ATOM 0 HG13 VAL A 4 4.969 -10.810 13.579 1.00 0.00 H new ATOM 0 HG21 VAL A 4 2.433 -10.629 15.357 1.00 0.00 H new ATOM 0 HG22 VAL A 4 3.541 -9.258 15.118 1.00 0.00 H new ATOM 0 HG23 VAL A 4 1.810 -9.077 14.748 1.00 0.00 H new ATOM 68 N GLY A 5 2.197 -7.205 11.208 1.00 0.00 N ATOM 69 CA GLY A 5 1.099 -6.447 10.633 1.00 0.00 C ATOM 70 C GLY A 5 1.124 -4.994 11.114 1.00 0.00 C ATOM 71 O GLY A 5 1.363 -4.080 10.326 1.00 0.00 O ATOM 0 H GLY A 5 3.118 -6.784 11.083 1.00 0.00 H new ATOM 0 HA2 GLY A 5 1.164 -6.475 9.545 1.00 0.00 H new ATOM 0 HA3 GLY A 5 0.151 -6.909 10.908 1.00 0.00 H new ATOM 75 N LEU A 6 0.874 -4.827 12.404 1.00 0.00 N ATOM 76 CA LEU A 6 0.865 -3.502 12.999 1.00 0.00 C ATOM 77 C LEU A 6 2.038 -2.691 12.445 1.00 0.00 C ATOM 78 O LEU A 6 2.996 -3.257 11.922 1.00 0.00 O ATOM 79 CB LEU A 6 0.852 -3.600 14.526 1.00 0.00 C ATOM 80 CG LEU A 6 1.902 -4.524 15.148 1.00 0.00 C ATOM 81 CD1 LEU A 6 1.377 -5.958 15.251 1.00 0.00 C ATOM 82 CD2 LEU A 6 3.222 -4.451 14.378 1.00 0.00 C ATOM 0 H LEU A 6 0.676 -5.588 13.054 1.00 0.00 H new ATOM 0 HA LEU A 6 -0.047 -2.970 12.729 1.00 0.00 H new ATOM 0 HB2 LEU A 6 0.989 -2.599 14.936 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -0.135 -3.941 14.840 1.00 0.00 H new ATOM 0 HG LEU A 6 2.102 -4.180 16.163 1.00 0.00 H new ATOM 0 HD11 LEU A 6 2.142 -6.594 15.696 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.483 -5.974 15.875 1.00 0.00 H new ATOM 0 HD13 LEU A 6 1.131 -6.328 14.256 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.950 -5.117 14.841 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.058 -4.755 13.344 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.600 -3.429 14.400 1.00 0.00 H new ATOM 94 N SER A 7 1.924 -1.378 12.579 1.00 0.00 N ATOM 95 CA SER A 7 2.963 -0.483 12.098 1.00 0.00 C ATOM 96 C SER A 7 2.923 -0.409 10.571 1.00 0.00 C ATOM 97 O SER A 7 2.071 -1.029 9.937 1.00 0.00 O ATOM 98 CB SER A 7 4.344 -0.938 12.572 1.00 0.00 C ATOM 99 OG SER A 7 4.961 -1.826 11.644 1.00 0.00 O ATOM 0 H SER A 7 1.128 -0.912 13.014 1.00 0.00 H new ATOM 0 HA SER A 7 2.777 0.510 12.508 1.00 0.00 H new ATOM 0 HB2 SER A 7 4.982 -0.067 12.719 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.251 -1.432 13.539 1.00 0.00 H new ATOM 0 HG SER A 7 4.307 -2.491 11.344 1.00 0.00 H new ATOM 105 N ALA A 8 3.856 0.356 10.023 1.00 0.00 N ATOM 106 CA ALA A 8 3.939 0.519 8.582 1.00 0.00 C ATOM 107 C ALA A 8 5.136 -0.272 8.051 1.00 0.00 C ATOM 108 O ALA A 8 5.536 -0.102 6.900 1.00 0.00 O ATOM 109 CB ALA A 8 4.027 2.008 8.241 1.00 0.00 C ATOM 0 H ALA A 8 4.561 0.870 10.552 1.00 0.00 H new ATOM 0 HA ALA A 8 3.044 0.126 8.100 1.00 0.00 H new ATOM 0 HB1 ALA A 8 4.089 2.131 7.160 1.00 0.00 H new ATOM 0 HB2 ALA A 8 3.140 2.520 8.614 1.00 0.00 H new ATOM 0 HB3 ALA A 8 4.915 2.436 8.706 1.00 0.00 H new ATOM 115 N ASN A 9 5.675 -1.119 8.915 1.00 0.00 N ATOM 116 CA ASN A 9 6.819 -1.937 8.547 1.00 0.00 C ATOM 117 C ASN A 9 6.592 -2.526 7.154 1.00 0.00 C ATOM 118 O ASN A 9 7.534 -2.668 6.375 1.00 0.00 O ATOM 119 CB ASN A 9 7.003 -3.098 9.527 1.00 0.00 C ATOM 120 CG ASN A 9 8.144 -2.813 10.506 1.00 0.00 C ATOM 121 OD1 ASN A 9 7.938 -2.529 11.674 1.00 0.00 O ATOM 122 ND2 ASN A 9 9.356 -2.904 9.966 1.00 0.00 N ATOM 0 H ASN A 9 5.341 -1.257 9.869 1.00 0.00 H new ATOM 0 HA ASN A 9 7.706 -1.304 8.566 1.00 0.00 H new ATOM 0 HB2 ASN A 9 6.078 -3.263 10.079 1.00 0.00 H new ATOM 0 HB3 ASN A 9 7.213 -4.015 8.975 1.00 0.00 H new ATOM 0 HD21 ASN A 9 10.183 -2.732 10.537 1.00 0.00 H new ATOM 0 HD22 ASN A 9 9.458 -3.146 8.980 1.00 0.00 H new ATOM 129 N GLN A 10 5.337 -2.853 6.881 1.00 0.00 N ATOM 130 CA GLN A 10 4.975 -3.424 5.595 1.00 0.00 C ATOM 131 C GLN A 10 4.830 -2.319 4.546 1.00 0.00 C ATOM 132 O GLN A 10 5.150 -2.523 3.376 1.00 0.00 O ATOM 133 CB GLN A 10 3.691 -4.249 5.703 1.00 0.00 C ATOM 134 CG GLN A 10 3.754 -5.482 4.799 1.00 0.00 C ATOM 135 CD GLN A 10 2.386 -6.159 4.700 1.00 0.00 C ATOM 136 OE1 GLN A 10 1.868 -6.416 3.625 1.00 0.00 O ATOM 137 NE2 GLN A 10 1.832 -6.433 5.877 1.00 0.00 N ATOM 0 H GLN A 10 4.558 -2.733 7.529 1.00 0.00 H new ATOM 0 HA GLN A 10 5.774 -4.095 5.280 1.00 0.00 H new ATOM 0 HB2 GLN A 10 3.540 -4.559 6.737 1.00 0.00 H new ATOM 0 HB3 GLN A 10 2.835 -3.634 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 10 4.093 -5.191 3.805 1.00 0.00 H new ATOM 0 HG3 GLN A 10 4.486 -6.188 5.191 1.00 0.00 H new ATOM 0 HE21 GLN A 10 2.320 -6.191 6.739 1.00 0.00 H new ATOM 0 HE22 GLN A 10 0.919 -6.885 5.918 1.00 0.00 H new ATOM 146 N CYS A 11 4.348 -1.173 5.003 1.00 0.00 N ATOM 147 CA CYS A 11 4.157 -0.036 4.119 1.00 0.00 C ATOM 148 C CYS A 11 5.128 1.069 4.540 1.00 0.00 C ATOM 149 O CYS A 11 4.740 2.229 4.660 1.00 0.00 O ATOM 150 CB CYS A 11 2.705 0.448 4.126 1.00 0.00 C ATOM 151 SG CYS A 11 1.467 -0.846 4.500 1.00 0.00 S ATOM 0 H CYS A 11 4.084 -1.007 5.974 1.00 0.00 H new ATOM 0 HA CYS A 11 4.368 -0.332 3.091 1.00 0.00 H new ATOM 0 HB2 CYS A 11 2.607 1.248 4.860 1.00 0.00 H new ATOM 0 HB3 CYS A 11 2.476 0.880 3.152 1.00 0.00 H new ATOM 156 N ALA A 12 6.373 0.668 4.753 1.00 0.00 N ATOM 157 CA ALA A 12 7.404 1.609 5.157 1.00 0.00 C ATOM 158 C ALA A 12 8.473 1.689 4.066 1.00 0.00 C ATOM 159 O ALA A 12 9.654 1.473 4.332 1.00 0.00 O ATOM 160 CB ALA A 12 7.981 1.184 6.509 1.00 0.00 C ATOM 0 H ALA A 12 6.691 -0.296 4.653 1.00 0.00 H new ATOM 0 HA ALA A 12 6.985 2.608 5.280 1.00 0.00 H new ATOM 0 HB1 ALA A 12 8.754 1.890 6.812 1.00 0.00 H new ATOM 0 HB2 ALA A 12 7.187 1.172 7.256 1.00 0.00 H new ATOM 0 HB3 ALA A 12 8.413 0.187 6.423 1.00 0.00 H new ATOM 166 N VAL A 13 8.020 2.000 2.860 1.00 0.00 N ATOM 167 CA VAL A 13 8.923 2.111 1.727 1.00 0.00 C ATOM 168 C VAL A 13 9.388 3.562 1.592 1.00 0.00 C ATOM 169 O VAL A 13 8.675 4.485 1.982 1.00 0.00 O ATOM 170 CB VAL A 13 8.244 1.580 0.463 1.00 0.00 C ATOM 171 CG1 VAL A 13 9.226 0.773 -0.388 1.00 0.00 C ATOM 172 CG2 VAL A 13 7.009 0.749 0.812 1.00 0.00 C ATOM 0 H VAL A 13 7.039 2.179 2.643 1.00 0.00 H new ATOM 0 HA VAL A 13 9.811 1.499 1.884 1.00 0.00 H new ATOM 0 HB VAL A 13 7.915 2.436 -0.126 1.00 0.00 H new ATOM 0 HG11 VAL A 13 8.718 0.407 -1.280 1.00 0.00 H new ATOM 0 HG12 VAL A 13 10.062 1.409 -0.681 1.00 0.00 H new ATOM 0 HG13 VAL A 13 9.599 -0.073 0.190 1.00 0.00 H new ATOM 0 HG21 VAL A 13 6.545 0.384 -0.104 1.00 0.00 H new ATOM 0 HG22 VAL A 13 7.304 -0.098 1.432 1.00 0.00 H new ATOM 0 HG23 VAL A 13 6.296 1.368 1.357 1.00 0.00 H new ATOM 182 N PRO A 14 10.612 3.723 1.022 1.00 0.00 N ATOM 183 CA PRO A 14 11.181 5.046 0.830 1.00 0.00 C ATOM 184 C PRO A 14 10.505 5.769 -0.337 1.00 0.00 C ATOM 185 O PRO A 14 10.893 6.881 -0.691 1.00 0.00 O ATOM 186 CB PRO A 14 12.665 4.807 0.601 1.00 0.00 C ATOM 187 CG PRO A 14 12.796 3.344 0.212 1.00 0.00 C ATOM 188 CD PRO A 14 11.485 2.653 0.547 1.00 0.00 C ATOM 0 HA PRO A 14 11.024 5.700 1.688 1.00 0.00 H new ATOM 0 HB2 PRO A 14 13.048 5.456 -0.186 1.00 0.00 H new ATOM 0 HB3 PRO A 14 13.239 5.025 1.502 1.00 0.00 H new ATOM 0 HG2 PRO A 14 13.016 3.250 -0.851 1.00 0.00 H new ATOM 0 HG3 PRO A 14 13.621 2.878 0.751 1.00 0.00 H new ATOM 0 HD2 PRO A 14 11.064 2.157 -0.328 1.00 0.00 H new ATOM 0 HD3 PRO A 14 11.625 1.888 1.310 1.00 0.00 H new ATOM 196 N ALA A 15 9.505 5.108 -0.902 1.00 0.00 N ATOM 197 CA ALA A 15 8.772 5.674 -2.021 1.00 0.00 C ATOM 198 C ALA A 15 9.519 5.369 -3.321 1.00 0.00 C ATOM 199 O ALA A 15 8.911 5.298 -4.388 1.00 0.00 O ATOM 200 CB ALA A 15 8.578 7.175 -1.798 1.00 0.00 C ATOM 0 H ALA A 15 9.186 4.186 -0.605 1.00 0.00 H new ATOM 0 HA ALA A 15 7.781 5.225 -2.097 1.00 0.00 H new ATOM 0 HB1 ALA A 15 8.028 7.600 -2.638 1.00 0.00 H new ATOM 0 HB2 ALA A 15 8.017 7.337 -0.878 1.00 0.00 H new ATOM 0 HB3 ALA A 15 9.551 7.660 -1.719 1.00 0.00 H new ATOM 206 N LYS A 16 10.826 5.198 -3.189 1.00 0.00 N ATOM 207 CA LYS A 16 11.662 4.903 -4.340 1.00 0.00 C ATOM 208 C LYS A 16 11.710 3.388 -4.555 1.00 0.00 C ATOM 209 O LYS A 16 12.429 2.904 -5.428 1.00 0.00 O ATOM 210 CB LYS A 16 13.041 5.545 -4.179 1.00 0.00 C ATOM 211 CG LYS A 16 13.787 4.949 -2.983 1.00 0.00 C ATOM 212 CD LYS A 16 14.691 3.795 -3.421 1.00 0.00 C ATOM 213 CE LYS A 16 16.060 4.310 -3.869 1.00 0.00 C ATOM 214 NZ LYS A 16 16.716 3.328 -4.762 1.00 0.00 N ATOM 0 H LYS A 16 11.327 5.258 -2.302 1.00 0.00 H new ATOM 0 HA LYS A 16 11.236 5.340 -5.243 1.00 0.00 H new ATOM 0 HB2 LYS A 16 13.624 5.395 -5.088 1.00 0.00 H new ATOM 0 HB3 LYS A 16 12.932 6.621 -4.044 1.00 0.00 H new ATOM 0 HG2 LYS A 16 14.386 5.722 -2.501 1.00 0.00 H new ATOM 0 HG3 LYS A 16 13.070 4.593 -2.243 1.00 0.00 H new ATOM 0 HD2 LYS A 16 14.815 3.092 -2.597 1.00 0.00 H new ATOM 0 HD3 LYS A 16 14.219 3.249 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 16 15.945 5.262 -4.387 1.00 0.00 H new ATOM 0 HE3 LYS A 16 16.689 4.495 -2.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 17.644 3.693 -5.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 16.843 2.429 -4.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 16.123 3.172 -5.602 1.00 0.00 H new ATOM 228 N ASP A 17 10.935 2.683 -3.744 1.00 0.00 N ATOM 229 CA ASP A 17 10.880 1.234 -3.835 1.00 0.00 C ATOM 230 C ASP A 17 9.420 0.789 -3.937 1.00 0.00 C ATOM 231 O ASP A 17 9.096 -0.361 -3.644 1.00 0.00 O ATOM 232 CB ASP A 17 11.488 0.581 -2.592 1.00 0.00 C ATOM 233 CG ASP A 17 12.661 -0.363 -2.865 1.00 0.00 C ATOM 234 OD1 ASP A 17 12.390 -1.474 -3.370 1.00 0.00 O ATOM 235 OD2 ASP A 17 13.802 0.048 -2.564 1.00 0.00 O ATOM 0 H ASP A 17 10.340 3.088 -3.021 1.00 0.00 H new ATOM 0 HA ASP A 17 11.446 0.929 -4.716 1.00 0.00 H new ATOM 0 HB2 ASP A 17 11.823 1.366 -1.915 1.00 0.00 H new ATOM 0 HB3 ASP A 17 10.707 0.025 -2.073 1.00 0.00 H new ATOM 240 N ARG A 18 8.578 1.723 -4.353 1.00 0.00 N ATOM 241 CA ARG A 18 7.159 1.441 -4.497 1.00 0.00 C ATOM 242 C ARG A 18 6.907 0.623 -5.765 1.00 0.00 C ATOM 243 O ARG A 18 7.500 0.892 -6.809 1.00 0.00 O ATOM 244 CB ARG A 18 6.345 2.734 -4.561 1.00 0.00 C ATOM 245 CG ARG A 18 6.836 3.744 -3.522 1.00 0.00 C ATOM 246 CD ARG A 18 6.144 3.526 -2.175 1.00 0.00 C ATOM 247 NE ARG A 18 5.731 4.827 -1.602 1.00 0.00 N ATOM 248 CZ ARG A 18 5.665 5.081 -0.288 1.00 0.00 C ATOM 249 NH1 ARG A 18 5.982 4.125 0.597 1.00 0.00 N ATOM 250 NH2 ARG A 18 5.280 6.290 0.142 1.00 0.00 N ATOM 0 H ARG A 18 8.850 2.676 -4.595 1.00 0.00 H new ATOM 0 HA ARG A 18 6.843 0.870 -3.624 1.00 0.00 H new ATOM 0 HB2 ARG A 18 6.421 3.167 -5.558 1.00 0.00 H new ATOM 0 HB3 ARG A 18 5.291 2.513 -4.389 1.00 0.00 H new ATOM 0 HG2 ARG A 18 7.915 3.650 -3.400 1.00 0.00 H new ATOM 0 HG3 ARG A 18 6.642 4.757 -3.875 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.273 2.883 -2.304 1.00 0.00 H new ATOM 0 HD3 ARG A 18 6.819 3.015 -1.489 1.00 0.00 H new ATOM 0 HE ARG A 18 5.481 5.576 -2.247 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.274 3.204 0.270 1.00 0.00 H new ATOM 0 HH12 ARG A 18 5.932 4.319 1.597 1.00 0.00 H new ATOM 0 HH21 ARG A 18 5.037 7.017 -0.531 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.230 6.483 1.142 1.00 0.00 H new ATOM 264 N VAL A 19 6.026 -0.358 -5.633 1.00 0.00 N ATOM 265 CA VAL A 19 5.688 -1.216 -6.756 1.00 0.00 C ATOM 266 C VAL A 19 4.388 -0.723 -7.395 1.00 0.00 C ATOM 267 O VAL A 19 3.914 -1.303 -8.371 1.00 0.00 O ATOM 268 CB VAL A 19 5.613 -2.673 -6.296 1.00 0.00 C ATOM 269 CG1 VAL A 19 5.007 -3.561 -7.385 1.00 0.00 C ATOM 270 CG2 VAL A 19 6.991 -3.187 -5.874 1.00 0.00 C ATOM 0 H VAL A 19 5.536 -0.578 -4.766 1.00 0.00 H new ATOM 0 HA VAL A 19 6.464 -1.170 -7.520 1.00 0.00 H new ATOM 0 HB VAL A 19 4.959 -2.716 -5.425 1.00 0.00 H new ATOM 0 HG11 VAL A 19 4.965 -4.592 -7.033 1.00 0.00 H new ATOM 0 HG12 VAL A 19 4.000 -3.216 -7.617 1.00 0.00 H new ATOM 0 HG13 VAL A 19 5.624 -3.509 -8.282 1.00 0.00 H new ATOM 0 HG21 VAL A 19 6.909 -4.225 -5.552 1.00 0.00 H new ATOM 0 HG22 VAL A 19 7.678 -3.122 -6.718 1.00 0.00 H new ATOM 0 HG23 VAL A 19 7.369 -2.580 -5.051 1.00 0.00 H new ATOM 280 N ASP A 20 3.849 0.341 -6.820 1.00 0.00 N ATOM 281 CA ASP A 20 2.614 0.919 -7.321 1.00 0.00 C ATOM 282 C ASP A 20 1.601 -0.199 -7.578 1.00 0.00 C ATOM 283 O ASP A 20 1.639 -0.848 -8.623 1.00 0.00 O ATOM 284 CB ASP A 20 2.847 1.658 -8.640 1.00 0.00 C ATOM 285 CG ASP A 20 1.581 1.962 -9.444 1.00 0.00 C ATOM 286 OD1 ASP A 20 0.776 2.780 -8.947 1.00 0.00 O ATOM 287 OD2 ASP A 20 1.446 1.370 -10.536 1.00 0.00 O ATOM 0 H ASP A 20 4.245 0.819 -6.011 1.00 0.00 H new ATOM 0 HA ASP A 20 2.243 1.622 -6.575 1.00 0.00 H new ATOM 0 HB2 ASP A 20 3.358 2.597 -8.428 1.00 0.00 H new ATOM 0 HB3 ASP A 20 3.518 1.062 -9.259 1.00 0.00 H new ATOM 292 N CYS A 21 0.720 -0.391 -6.608 1.00 0.00 N ATOM 293 CA CYS A 21 -0.301 -1.419 -6.716 1.00 0.00 C ATOM 294 C CYS A 21 -1.301 -0.992 -7.793 1.00 0.00 C ATOM 295 O CYS A 21 -1.985 -1.831 -8.378 1.00 0.00 O ATOM 296 CB CYS A 21 -0.986 -1.680 -5.373 1.00 0.00 C ATOM 297 SG CYS A 21 -1.274 -3.446 -4.989 1.00 0.00 S ATOM 0 H CYS A 21 0.692 0.148 -5.743 1.00 0.00 H new ATOM 0 HA CYS A 21 0.160 -2.364 -7.004 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -0.378 -1.245 -4.580 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -1.944 -1.159 -5.362 1.00 0.00 H new ATOM 302 N GLY A 22 -1.354 0.312 -8.023 1.00 0.00 N ATOM 303 CA GLY A 22 -2.258 0.860 -9.019 1.00 0.00 C ATOM 304 C GLY A 22 -3.716 0.695 -8.586 1.00 0.00 C ATOM 305 O GLY A 22 -4.324 -0.348 -8.823 1.00 0.00 O ATOM 0 H GLY A 22 -0.785 1.005 -7.536 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -2.038 1.916 -9.173 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -2.100 0.359 -9.974 1.00 0.00 H new ATOM 309 N TYR A 23 -4.235 1.740 -7.958 1.00 0.00 N ATOM 310 CA TYR A 23 -5.611 1.724 -7.489 1.00 0.00 C ATOM 311 C TYR A 23 -6.283 3.080 -7.717 1.00 0.00 C ATOM 312 O TYR A 23 -5.625 4.118 -7.674 1.00 0.00 O ATOM 313 CB TYR A 23 -5.541 1.449 -5.986 1.00 0.00 C ATOM 314 CG TYR A 23 -5.577 -0.037 -5.623 1.00 0.00 C ATOM 315 CD1 TYR A 23 -6.729 -0.769 -5.827 1.00 0.00 C ATOM 316 CD2 TYR A 23 -4.458 -0.646 -5.092 1.00 0.00 C ATOM 317 CE1 TYR A 23 -6.764 -2.168 -5.486 1.00 0.00 C ATOM 318 CE2 TYR A 23 -4.492 -2.044 -4.751 1.00 0.00 C ATOM 319 CZ TYR A 23 -5.643 -2.736 -4.965 1.00 0.00 C ATOM 320 OH TYR A 23 -5.676 -4.057 -4.643 1.00 0.00 O ATOM 0 H TYR A 23 -3.728 2.603 -7.763 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.191 0.972 -8.025 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -4.625 1.887 -5.589 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.374 1.953 -5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -7.605 -0.293 -6.243 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -3.556 -0.073 -4.932 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -7.659 -2.752 -5.640 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -3.623 -2.532 -4.335 1.00 0.00 H new ATOM 0 HH TYR A 23 -5.001 -4.244 -3.957 1.00 0.00 H new ATOM 330 N PRO A 24 -7.620 3.024 -7.960 1.00 0.00 N ATOM 331 CA PRO A 24 -8.389 4.235 -8.194 1.00 0.00 C ATOM 332 C PRO A 24 -8.623 4.997 -6.888 1.00 0.00 C ATOM 333 O PRO A 24 -7.964 6.001 -6.625 1.00 0.00 O ATOM 334 CB PRO A 24 -9.678 3.762 -8.845 1.00 0.00 C ATOM 335 CG PRO A 24 -9.785 2.279 -8.530 1.00 0.00 C ATOM 336 CD PRO A 24 -8.432 1.812 -8.018 1.00 0.00 C ATOM 0 HA PRO A 24 -7.870 4.945 -8.838 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -10.536 4.307 -8.453 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -9.657 3.932 -9.921 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.558 2.103 -7.782 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -10.070 1.719 -9.421 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -8.519 1.346 -7.036 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.991 1.071 -8.684 1.00 0.00 H new ATOM 344 N HIS A 25 -9.564 4.490 -6.105 1.00 0.00 N ATOM 345 CA HIS A 25 -9.894 5.111 -4.833 1.00 0.00 C ATOM 346 C HIS A 25 -8.983 4.551 -3.739 1.00 0.00 C ATOM 347 O HIS A 25 -9.349 3.603 -3.046 1.00 0.00 O ATOM 348 CB HIS A 25 -11.380 4.938 -4.514 1.00 0.00 C ATOM 349 CG HIS A 25 -11.779 3.517 -4.197 1.00 0.00 C ATOM 350 ND1 HIS A 25 -12.991 3.191 -3.613 1.00 0.00 N ATOM 351 CD2 HIS A 25 -11.117 2.341 -4.390 1.00 0.00 C ATOM 352 CE1 HIS A 25 -13.044 1.876 -3.464 1.00 0.00 C ATOM 353 NE2 HIS A 25 -11.881 1.350 -3.947 1.00 0.00 N ATOM 0 H HIS A 25 -10.108 3.656 -6.327 1.00 0.00 H new ATOM 0 HA HIS A 25 -9.718 6.185 -4.890 1.00 0.00 H new ATOM 0 HB2 HIS A 25 -11.635 5.574 -3.666 1.00 0.00 H new ATOM 0 HB3 HIS A 25 -11.967 5.288 -5.363 1.00 0.00 H new ATOM 0 HD1 HIS A 25 -13.720 3.852 -3.343 1.00 0.00 H new ATOM 0 HD2 HIS A 25 -10.136 2.234 -4.829 1.00 0.00 H new ATOM 0 HE1 HIS A 25 -13.863 1.318 -3.036 1.00 0.00 H new ATOM 362 N VAL A 26 -7.814 5.162 -3.616 1.00 0.00 N ATOM 363 CA VAL A 26 -6.848 4.737 -2.618 1.00 0.00 C ATOM 364 C VAL A 26 -6.979 5.624 -1.378 1.00 0.00 C ATOM 365 O VAL A 26 -7.098 6.843 -1.492 1.00 0.00 O ATOM 366 CB VAL A 26 -5.439 4.748 -3.214 1.00 0.00 C ATOM 367 CG1 VAL A 26 -5.299 3.689 -4.309 1.00 0.00 C ATOM 368 CG2 VAL A 26 -5.080 6.137 -3.746 1.00 0.00 C ATOM 0 H VAL A 26 -7.514 5.949 -4.192 1.00 0.00 H new ATOM 0 HA VAL A 26 -7.047 3.711 -2.307 1.00 0.00 H new ATOM 0 HB VAL A 26 -4.736 4.502 -2.418 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -4.288 3.718 -4.716 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -5.493 2.702 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -6.016 3.891 -5.104 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -4.074 6.118 -4.164 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -5.790 6.424 -4.522 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.120 6.860 -2.932 1.00 0.00 H new ATOM 378 N THR A 27 -6.954 4.978 -0.222 1.00 0.00 N ATOM 379 CA THR A 27 -7.068 5.692 1.038 1.00 0.00 C ATOM 380 C THR A 27 -6.323 4.945 2.145 1.00 0.00 C ATOM 381 O THR A 27 -5.868 3.820 1.942 1.00 0.00 O ATOM 382 CB THR A 27 -8.556 5.891 1.335 1.00 0.00 C ATOM 383 OG1 THR A 27 -8.945 4.684 1.983 1.00 0.00 O ATOM 384 CG2 THR A 27 -9.407 5.924 0.064 1.00 0.00 C ATOM 0 H THR A 27 -6.856 3.967 -0.131 1.00 0.00 H new ATOM 0 HA THR A 27 -6.598 6.674 0.980 1.00 0.00 H new ATOM 0 HB THR A 27 -8.695 6.820 1.889 1.00 0.00 H new ATOM 0 HG1 THR A 27 -9.846 4.787 2.353 1.00 0.00 H new ATOM 0 HG21 THR A 27 -10.454 6.067 0.331 1.00 0.00 H new ATOM 0 HG22 THR A 27 -9.079 6.746 -0.572 1.00 0.00 H new ATOM 0 HG23 THR A 27 -9.295 4.982 -0.473 1.00 0.00 H new ATOM 392 N PRO A 28 -6.217 5.617 3.323 1.00 0.00 N ATOM 393 CA PRO A 28 -5.534 5.028 4.462 1.00 0.00 C ATOM 394 C PRO A 28 -6.395 3.946 5.118 1.00 0.00 C ATOM 395 O PRO A 28 -6.429 3.832 6.342 1.00 0.00 O ATOM 396 CB PRO A 28 -5.240 6.196 5.390 1.00 0.00 C ATOM 397 CG PRO A 28 -6.172 7.316 4.960 1.00 0.00 C ATOM 398 CD PRO A 28 -6.743 6.950 3.600 1.00 0.00 C ATOM 0 HA PRO A 28 -4.613 4.516 4.182 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -5.414 5.921 6.430 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -4.197 6.504 5.312 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -6.973 7.447 5.688 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -5.633 8.262 4.906 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -7.833 6.950 3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -6.435 7.664 2.836 1.00 0.00 H new ATOM 406 N LYS A 29 -7.068 3.178 4.273 1.00 0.00 N ATOM 407 CA LYS A 29 -7.925 2.109 4.755 1.00 0.00 C ATOM 408 C LYS A 29 -8.520 1.360 3.561 1.00 0.00 C ATOM 409 O LYS A 29 -8.546 0.131 3.544 1.00 0.00 O ATOM 410 CB LYS A 29 -8.976 2.659 5.721 1.00 0.00 C ATOM 411 CG LYS A 29 -9.427 1.583 6.712 1.00 0.00 C ATOM 412 CD LYS A 29 -10.847 1.109 6.397 1.00 0.00 C ATOM 413 CE LYS A 29 -11.250 -0.055 7.305 1.00 0.00 C ATOM 414 NZ LYS A 29 -12.399 0.325 8.157 1.00 0.00 N ATOM 0 H LYS A 29 -7.037 3.275 3.258 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.345 1.386 5.329 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.565 3.510 6.265 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -9.836 3.024 5.159 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.740 0.737 6.674 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -9.389 1.979 7.727 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -11.547 1.935 6.526 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.908 0.799 5.354 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.510 -0.923 6.699 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.406 -0.345 7.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.659 -0.476 8.767 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.138 1.140 8.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -13.208 0.579 7.555 1.00 0.00 H new ATOM 428 N GLU A 30 -8.983 2.134 2.589 1.00 0.00 N ATOM 429 CA GLU A 30 -9.576 1.559 1.394 1.00 0.00 C ATOM 430 C GLU A 30 -8.493 0.934 0.512 1.00 0.00 C ATOM 431 O GLU A 30 -8.701 -0.126 -0.075 1.00 0.00 O ATOM 432 CB GLU A 30 -10.374 2.610 0.619 1.00 0.00 C ATOM 433 CG GLU A 30 -10.943 2.022 -0.674 1.00 0.00 C ATOM 434 CD GLU A 30 -12.410 2.416 -0.857 1.00 0.00 C ATOM 435 OE1 GLU A 30 -12.647 3.613 -1.131 1.00 0.00 O ATOM 436 OE2 GLU A 30 -13.262 1.512 -0.719 1.00 0.00 O ATOM 0 H GLU A 30 -8.959 3.154 2.605 1.00 0.00 H new ATOM 0 HA GLU A 30 -10.269 0.774 1.697 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -11.187 2.986 1.240 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -9.732 3.460 0.385 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -10.360 2.373 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -10.854 0.936 -0.654 1.00 0.00 H new ATOM 443 N CYS A 31 -7.360 1.618 0.447 1.00 0.00 N ATOM 444 CA CYS A 31 -6.244 1.143 -0.353 1.00 0.00 C ATOM 445 C CYS A 31 -5.623 -0.063 0.356 1.00 0.00 C ATOM 446 O CYS A 31 -5.127 -0.982 -0.293 1.00 0.00 O ATOM 447 CB CYS A 31 -5.216 2.248 -0.604 1.00 0.00 C ATOM 448 SG CYS A 31 -3.516 1.656 -0.933 1.00 0.00 S ATOM 0 H CYS A 31 -7.191 2.497 0.935 1.00 0.00 H new ATOM 0 HA CYS A 31 -6.602 0.841 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 31 -5.547 2.847 -1.452 1.00 0.00 H new ATOM 0 HB3 CYS A 31 -5.194 2.908 0.263 1.00 0.00 H new ATOM 453 N ASN A 32 -5.671 -0.020 1.680 1.00 0.00 N ATOM 454 CA ASN A 32 -5.120 -1.097 2.484 1.00 0.00 C ATOM 455 C ASN A 32 -6.170 -2.199 2.642 1.00 0.00 C ATOM 456 O ASN A 32 -5.882 -3.263 3.188 1.00 0.00 O ATOM 457 CB ASN A 32 -4.740 -0.603 3.881 1.00 0.00 C ATOM 458 CG ASN A 32 -4.075 0.774 3.814 1.00 0.00 C ATOM 459 OD1 ASN A 32 -4.650 1.747 3.355 1.00 0.00 O ATOM 460 ND2 ASN A 32 -2.836 0.799 4.295 1.00 0.00 N ATOM 0 H ASN A 32 -6.083 0.744 2.215 1.00 0.00 H new ATOM 0 HA ASN A 32 -4.230 -1.472 1.979 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -5.631 -0.550 4.507 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -4.062 -1.316 4.351 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -2.306 1.671 4.295 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -2.415 -0.053 4.665 1.00 0.00 H new ATOM 467 N ASN A 33 -7.367 -1.906 2.154 1.00 0.00 N ATOM 468 CA ASN A 33 -8.461 -2.858 2.234 1.00 0.00 C ATOM 469 C ASN A 33 -8.598 -3.585 0.894 1.00 0.00 C ATOM 470 O ASN A 33 -8.838 -4.791 0.860 1.00 0.00 O ATOM 471 CB ASN A 33 -9.786 -2.151 2.525 1.00 0.00 C ATOM 472 CG ASN A 33 -10.950 -3.145 2.525 1.00 0.00 C ATOM 473 OD1 ASN A 33 -11.238 -3.802 1.538 1.00 0.00 O ATOM 474 ND2 ASN A 33 -11.599 -3.218 3.683 1.00 0.00 N ATOM 0 H ASN A 33 -7.603 -1.023 1.702 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.241 -3.558 3.040 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -9.731 -1.651 3.492 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -9.962 -1.379 1.776 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -12.391 -3.853 3.785 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -11.305 -2.639 4.470 1.00 0.00 H new ATOM 481 N ARG A 34 -8.439 -2.821 -0.176 1.00 0.00 N ATOM 482 CA ARG A 34 -8.542 -3.377 -1.515 1.00 0.00 C ATOM 483 C ARG A 34 -7.575 -4.552 -1.677 1.00 0.00 C ATOM 484 O ARG A 34 -7.805 -5.441 -2.495 1.00 0.00 O ATOM 485 CB ARG A 34 -8.231 -2.319 -2.576 1.00 0.00 C ATOM 486 CG ARG A 34 -9.141 -2.482 -3.795 1.00 0.00 C ATOM 487 CD ARG A 34 -10.614 -2.364 -3.400 1.00 0.00 C ATOM 488 NE ARG A 34 -11.437 -2.068 -4.594 1.00 0.00 N ATOM 489 CZ ARG A 34 -12.756 -1.834 -4.558 1.00 0.00 C ATOM 490 NH1 ARG A 34 -13.410 -1.861 -3.389 1.00 0.00 N ATOM 491 NH2 ARG A 34 -13.421 -1.574 -5.692 1.00 0.00 N ATOM 0 H ARG A 34 -8.240 -1.821 -0.144 1.00 0.00 H new ATOM 0 HA ARG A 34 -9.566 -3.723 -1.653 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -8.361 -1.324 -2.151 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -7.188 -2.401 -2.882 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -8.898 -1.723 -4.538 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -8.962 -3.452 -4.260 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -10.950 -3.292 -2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -10.738 -1.575 -2.658 1.00 0.00 H new ATOM 0 HE ARG A 34 -10.971 -2.040 -5.501 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -12.904 -2.060 -2.526 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -14.414 -1.683 -3.362 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -12.923 -1.554 -6.582 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -14.425 -1.396 -5.665 1.00 0.00 H new ATOM 505 N GLY A 35 -6.514 -4.517 -0.885 1.00 0.00 N ATOM 506 CA GLY A 35 -5.511 -5.568 -0.930 1.00 0.00 C ATOM 507 C GLY A 35 -4.146 -5.006 -1.330 1.00 0.00 C ATOM 508 O GLY A 35 -3.680 -5.232 -2.446 1.00 0.00 O ATOM 0 H GLY A 35 -6.327 -3.777 -0.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -5.439 -6.049 0.046 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -5.815 -6.336 -1.642 1.00 0.00 H new ATOM 512 N CYS A 36 -3.542 -4.284 -0.397 1.00 0.00 N ATOM 513 CA CYS A 36 -2.239 -3.688 -0.638 1.00 0.00 C ATOM 514 C CYS A 36 -1.932 -2.725 0.510 1.00 0.00 C ATOM 515 O CYS A 36 -2.500 -2.845 1.595 1.00 0.00 O ATOM 516 CB CYS A 36 -2.179 -2.990 -1.999 1.00 0.00 C ATOM 517 SG CYS A 36 -0.807 -3.534 -3.080 1.00 0.00 S ATOM 0 H CYS A 36 -3.931 -4.098 0.527 1.00 0.00 H new ATOM 0 HA CYS A 36 -1.479 -4.469 -0.670 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.122 -3.158 -2.520 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -2.091 -1.916 -1.837 1.00 0.00 H new ATOM 522 N CYS A 37 -1.033 -1.792 0.233 1.00 0.00 N ATOM 523 CA CYS A 37 -0.643 -0.809 1.230 1.00 0.00 C ATOM 524 C CYS A 37 -0.968 0.583 0.685 1.00 0.00 C ATOM 525 O CYS A 37 -0.969 0.795 -0.526 1.00 0.00 O ATOM 526 CB CYS A 37 0.834 -0.943 1.609 1.00 0.00 C ATOM 527 SG CYS A 37 1.170 -2.090 2.994 1.00 0.00 S ATOM 0 H CYS A 37 -0.563 -1.696 -0.667 1.00 0.00 H new ATOM 0 HA CYS A 37 -1.203 -0.978 2.150 1.00 0.00 H new ATOM 0 HB2 CYS A 37 1.390 -1.280 0.734 1.00 0.00 H new ATOM 0 HB3 CYS A 37 1.218 0.043 1.871 1.00 0.00 H new ATOM 532 N PHE A 38 -1.238 1.496 1.607 1.00 0.00 N ATOM 533 CA PHE A 38 -1.565 2.862 1.234 1.00 0.00 C ATOM 534 C PHE A 38 -0.508 3.839 1.754 1.00 0.00 C ATOM 535 O PHE A 38 0.391 3.450 2.497 1.00 0.00 O ATOM 536 CB PHE A 38 -2.911 3.192 1.882 1.00 0.00 C ATOM 537 CG PHE A 38 -3.326 4.658 1.740 1.00 0.00 C ATOM 538 CD1 PHE A 38 -3.920 5.089 0.595 1.00 0.00 C ATOM 539 CD2 PHE A 38 -3.102 5.530 2.759 1.00 0.00 C ATOM 540 CE1 PHE A 38 -4.305 6.449 0.463 1.00 0.00 C ATOM 541 CE2 PHE A 38 -3.488 6.890 2.628 1.00 0.00 C ATOM 542 CZ PHE A 38 -4.082 7.321 1.482 1.00 0.00 C ATOM 0 H PHE A 38 -1.237 1.317 2.611 1.00 0.00 H new ATOM 0 HA PHE A 38 -1.603 2.953 0.149 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -3.681 2.562 1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -2.865 2.939 2.941 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -4.099 4.396 -0.214 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -2.630 5.188 3.668 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -4.775 6.791 -0.447 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -3.310 7.582 3.438 1.00 0.00 H new ATOM 0 HZ PHE A 38 -4.376 8.355 1.382 1.00 0.00 H new ATOM 552 N ASP A 39 -0.653 5.090 1.342 1.00 0.00 N ATOM 553 CA ASP A 39 0.278 6.127 1.756 1.00 0.00 C ATOM 554 C ASP A 39 -0.132 7.457 1.122 1.00 0.00 C ATOM 555 O ASP A 39 -0.585 7.491 -0.021 1.00 0.00 O ATOM 556 CB ASP A 39 1.701 5.804 1.298 1.00 0.00 C ATOM 557 CG ASP A 39 2.746 6.869 1.635 1.00 0.00 C ATOM 558 OD1 ASP A 39 3.241 6.836 2.782 1.00 0.00 O ATOM 559 OD2 ASP A 39 3.027 7.693 0.737 1.00 0.00 O ATOM 0 H ASP A 39 -1.401 5.409 0.726 1.00 0.00 H new ATOM 0 HA ASP A 39 0.254 6.187 2.844 1.00 0.00 H new ATOM 0 HB2 ASP A 39 2.007 4.861 1.750 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.694 5.652 0.219 1.00 0.00 H new ATOM 564 N SER A 40 0.040 8.521 1.893 1.00 0.00 N ATOM 565 CA SER A 40 -0.306 9.851 1.421 1.00 0.00 C ATOM 566 C SER A 40 0.846 10.820 1.695 1.00 0.00 C ATOM 567 O SER A 40 0.670 12.035 1.620 1.00 0.00 O ATOM 568 CB SER A 40 -1.591 10.353 2.083 1.00 0.00 C ATOM 569 OG SER A 40 -1.421 10.570 3.482 1.00 0.00 O ATOM 0 H SER A 40 0.414 8.489 2.841 1.00 0.00 H new ATOM 0 HA SER A 40 -0.480 9.798 0.346 1.00 0.00 H new ATOM 0 HB2 SER A 40 -1.905 11.282 1.607 1.00 0.00 H new ATOM 0 HB3 SER A 40 -2.389 9.628 1.923 1.00 0.00 H new ATOM 0 HG SER A 40 -2.263 10.892 3.868 1.00 0.00 H new ATOM 575 N ARG A 41 1.998 10.246 2.006 1.00 0.00 N ATOM 576 CA ARG A 41 3.179 11.044 2.292 1.00 0.00 C ATOM 577 C ARG A 41 3.483 11.979 1.119 1.00 0.00 C ATOM 578 O ARG A 41 3.606 13.189 1.302 1.00 0.00 O ATOM 579 CB ARG A 41 4.395 10.154 2.554 1.00 0.00 C ATOM 580 CG ARG A 41 5.284 10.749 3.648 1.00 0.00 C ATOM 581 CD ARG A 41 6.761 10.671 3.257 1.00 0.00 C ATOM 582 NE ARG A 41 7.430 11.959 3.546 1.00 0.00 N ATOM 583 CZ ARG A 41 8.666 12.273 3.135 1.00 0.00 C ATOM 584 NH1 ARG A 41 9.377 11.393 2.416 1.00 0.00 N ATOM 585 NH2 ARG A 41 9.193 13.466 3.444 1.00 0.00 N ATOM 0 H ARG A 41 2.140 9.238 2.066 1.00 0.00 H new ATOM 0 HA ARG A 41 2.974 11.632 3.187 1.00 0.00 H new ATOM 0 HB2 ARG A 41 4.064 9.158 2.850 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.970 10.039 1.635 1.00 0.00 H new ATOM 0 HG2 ARG A 41 5.005 11.788 3.823 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.123 10.214 4.584 1.00 0.00 H new ATOM 0 HD2 ARG A 41 7.249 9.867 3.807 1.00 0.00 H new ATOM 0 HD3 ARG A 41 6.853 10.434 2.197 1.00 0.00 H new ATOM 0 HE ARG A 41 6.918 12.651 4.093 1.00 0.00 H new ATOM 0 HH11 ARG A 41 8.977 10.484 2.182 1.00 0.00 H new ATOM 0 HH12 ARG A 41 10.318 11.632 2.103 1.00 0.00 H new ATOM 0 HH21 ARG A 41 8.653 14.135 3.992 1.00 0.00 H new ATOM 0 HH22 ARG A 41 10.134 13.704 3.131 1.00 0.00 H new ATOM 599 N ILE A 42 3.596 11.383 -0.058 1.00 0.00 N ATOM 600 CA ILE A 42 3.884 12.147 -1.260 1.00 0.00 C ATOM 601 C ILE A 42 3.069 11.583 -2.425 1.00 0.00 C ATOM 602 O ILE A 42 2.980 10.368 -2.595 1.00 0.00 O ATOM 603 CB ILE A 42 5.391 12.183 -1.524 1.00 0.00 C ATOM 604 CG1 ILE A 42 6.097 11.016 -0.832 1.00 0.00 C ATOM 605 CG2 ILE A 42 5.986 13.534 -1.120 1.00 0.00 C ATOM 606 CD1 ILE A 42 5.585 9.674 -1.360 1.00 0.00 C ATOM 0 H ILE A 42 3.493 10.379 -0.205 1.00 0.00 H new ATOM 0 HA ILE A 42 3.581 13.186 -1.132 1.00 0.00 H new ATOM 0 HB ILE A 42 5.553 12.067 -2.596 1.00 0.00 H new ATOM 0 HG12 ILE A 42 7.172 11.089 -0.995 1.00 0.00 H new ATOM 0 HG13 ILE A 42 5.933 11.074 0.244 1.00 0.00 H new ATOM 0 HG21 ILE A 42 7.058 13.533 -1.318 1.00 0.00 H new ATOM 0 HG22 ILE A 42 5.511 14.328 -1.697 1.00 0.00 H new ATOM 0 HG23 ILE A 42 5.813 13.704 -0.057 1.00 0.00 H new ATOM 0 HD11 ILE A 42 6.103 8.861 -0.851 1.00 0.00 H new ATOM 0 HD12 ILE A 42 4.514 9.594 -1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 42 5.772 9.609 -2.432 1.00 0.00 H new ATOM 618 N PRO A 43 2.479 12.517 -3.219 1.00 0.00 N ATOM 619 CA PRO A 43 1.674 12.125 -4.364 1.00 0.00 C ATOM 620 C PRO A 43 2.558 11.651 -5.519 1.00 0.00 C ATOM 621 O PRO A 43 2.206 10.710 -6.229 1.00 0.00 O ATOM 622 CB PRO A 43 0.856 13.358 -4.709 1.00 0.00 C ATOM 623 CG PRO A 43 1.565 14.528 -4.047 1.00 0.00 C ATOM 624 CD PRO A 43 2.562 13.964 -3.049 1.00 0.00 C ATOM 0 HA PRO A 43 1.022 11.278 -4.151 1.00 0.00 H new ATOM 0 HB2 PRO A 43 0.797 13.498 -5.788 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.166 13.263 -4.343 1.00 0.00 H new ATOM 0 HG2 PRO A 43 2.075 15.137 -4.793 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.846 15.175 -3.544 1.00 0.00 H new ATOM 0 HD2 PRO A 43 3.570 14.329 -3.247 1.00 0.00 H new ATOM 0 HD3 PRO A 43 2.311 14.258 -2.030 1.00 0.00 H new ATOM 632 N GLY A 44 3.689 12.324 -5.672 1.00 0.00 N ATOM 633 CA GLY A 44 4.626 11.983 -6.729 1.00 0.00 C ATOM 634 C GLY A 44 4.751 10.466 -6.883 1.00 0.00 C ATOM 635 O GLY A 44 4.817 9.956 -8.000 1.00 0.00 O ATOM 0 H GLY A 44 3.978 13.104 -5.081 1.00 0.00 H new ATOM 0 HA2 GLY A 44 4.293 12.421 -7.670 1.00 0.00 H new ATOM 0 HA3 GLY A 44 5.603 12.411 -6.506 1.00 0.00 H new ATOM 639 N VAL A 45 4.779 9.788 -5.745 1.00 0.00 N ATOM 640 CA VAL A 45 4.894 8.340 -5.740 1.00 0.00 C ATOM 641 C VAL A 45 3.496 7.721 -5.699 1.00 0.00 C ATOM 642 O VAL A 45 2.506 8.428 -5.516 1.00 0.00 O ATOM 643 CB VAL A 45 5.781 7.890 -4.576 1.00 0.00 C ATOM 644 CG1 VAL A 45 6.813 8.964 -4.227 1.00 0.00 C ATOM 645 CG2 VAL A 45 4.937 7.522 -3.355 1.00 0.00 C ATOM 0 H VAL A 45 4.724 10.215 -4.820 1.00 0.00 H new ATOM 0 HA VAL A 45 5.376 7.992 -6.653 1.00 0.00 H new ATOM 0 HB VAL A 45 6.321 6.997 -4.891 1.00 0.00 H new ATOM 0 HG11 VAL A 45 7.430 8.620 -3.397 1.00 0.00 H new ATOM 0 HG12 VAL A 45 7.445 9.157 -5.094 1.00 0.00 H new ATOM 0 HG13 VAL A 45 6.300 9.882 -3.941 1.00 0.00 H new ATOM 0 HG21 VAL A 45 5.591 7.206 -2.542 1.00 0.00 H new ATOM 0 HG22 VAL A 45 4.358 8.389 -3.038 1.00 0.00 H new ATOM 0 HG23 VAL A 45 4.259 6.708 -3.613 1.00 0.00 H new ATOM 655 N PRO A 46 3.458 6.374 -5.879 1.00 0.00 N ATOM 656 CA PRO A 46 2.197 5.652 -5.865 1.00 0.00 C ATOM 657 C PRO A 46 1.661 5.511 -4.439 1.00 0.00 C ATOM 658 O PRO A 46 2.014 4.570 -3.730 1.00 0.00 O ATOM 659 CB PRO A 46 2.502 4.314 -6.520 1.00 0.00 C ATOM 660 CG PRO A 46 4.012 4.153 -6.454 1.00 0.00 C ATOM 661 CD PRO A 46 4.610 5.505 -6.100 1.00 0.00 C ATOM 0 HA PRO A 46 1.408 6.174 -6.406 1.00 0.00 H new ATOM 0 HB2 PRO A 46 1.999 3.500 -5.998 1.00 0.00 H new ATOM 0 HB3 PRO A 46 2.152 4.295 -7.552 1.00 0.00 H new ATOM 0 HG2 PRO A 46 4.284 3.408 -5.707 1.00 0.00 H new ATOM 0 HG3 PRO A 46 4.401 3.802 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 46 5.234 5.441 -5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.241 5.882 -6.905 1.00 0.00 H new ATOM 669 N TRP A 47 0.818 6.461 -4.062 1.00 0.00 N ATOM 670 CA TRP A 47 0.230 6.455 -2.733 1.00 0.00 C ATOM 671 C TRP A 47 0.011 4.999 -2.319 1.00 0.00 C ATOM 672 O TRP A 47 0.451 4.581 -1.249 1.00 0.00 O ATOM 673 CB TRP A 47 -1.054 7.286 -2.698 1.00 0.00 C ATOM 674 CG TRP A 47 -0.834 8.757 -2.340 1.00 0.00 C ATOM 675 CD1 TRP A 47 0.255 9.506 -2.560 1.00 0.00 C ATOM 676 CD2 TRP A 47 -1.777 9.633 -1.685 1.00 0.00 C ATOM 677 NE1 TRP A 47 0.084 10.795 -2.097 1.00 0.00 N ATOM 678 CE2 TRP A 47 -1.190 10.874 -1.548 1.00 0.00 C ATOM 679 CE3 TRP A 47 -3.081 9.384 -1.224 1.00 0.00 C ATOM 680 CZ2 TRP A 47 -1.834 11.965 -0.951 1.00 0.00 C ATOM 681 CZ3 TRP A 47 -3.711 10.484 -0.629 1.00 0.00 C ATOM 682 CH2 TRP A 47 -3.135 11.740 -0.484 1.00 0.00 C ATOM 0 H TRP A 47 0.528 7.240 -4.653 1.00 0.00 H new ATOM 0 HA TRP A 47 0.900 6.924 -2.013 1.00 0.00 H new ATOM 0 HB2 TRP A 47 -1.538 7.229 -3.673 1.00 0.00 H new ATOM 0 HB3 TRP A 47 -1.740 6.845 -1.975 1.00 0.00 H new ATOM 0 HD1 TRP A 47 1.154 9.146 -3.039 1.00 0.00 H new ATOM 0 HE1 TRP A 47 0.767 11.551 -2.148 1.00 0.00 H new ATOM 0 HE3 TRP A 47 -3.559 8.421 -1.321 1.00 0.00 H new ATOM 0 HZ2 TRP A 47 -1.353 12.928 -0.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 47 -4.715 10.346 -0.257 1.00 0.00 H new ATOM 0 HH2 TRP A 47 -3.688 12.539 -0.013 1.00 0.00 H new ATOM 693 N CYS A 48 -0.668 4.265 -3.189 1.00 0.00 N ATOM 694 CA CYS A 48 -0.950 2.864 -2.927 1.00 0.00 C ATOM 695 C CYS A 48 0.141 2.022 -3.591 1.00 0.00 C ATOM 696 O CYS A 48 0.221 1.958 -4.817 1.00 0.00 O ATOM 697 CB CYS A 48 -2.348 2.469 -3.408 1.00 0.00 C ATOM 698 SG CYS A 48 -3.044 0.980 -2.605 1.00 0.00 S ATOM 0 H CYS A 48 -1.031 4.615 -4.076 1.00 0.00 H new ATOM 0 HA CYS A 48 -0.943 2.684 -1.852 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.025 3.306 -3.238 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -2.312 2.301 -4.484 1.00 0.00 H new ATOM 703 N PHE A 49 0.954 1.397 -2.752 1.00 0.00 N ATOM 704 CA PHE A 49 2.037 0.562 -3.243 1.00 0.00 C ATOM 705 C PHE A 49 2.048 -0.794 -2.534 1.00 0.00 C ATOM 706 O PHE A 49 1.460 -0.944 -1.463 1.00 0.00 O ATOM 707 CB PHE A 49 3.343 1.296 -2.934 1.00 0.00 C ATOM 708 CG PHE A 49 3.421 1.857 -1.513 1.00 0.00 C ATOM 709 CD1 PHE A 49 3.558 1.013 -0.455 1.00 0.00 C ATOM 710 CD2 PHE A 49 3.353 3.200 -1.307 1.00 0.00 C ATOM 711 CE1 PHE A 49 3.631 1.534 0.864 1.00 0.00 C ATOM 712 CE2 PHE A 49 3.426 3.720 0.012 1.00 0.00 C ATOM 713 CZ PHE A 49 3.563 2.876 1.069 1.00 0.00 C ATOM 0 H PHE A 49 0.885 1.452 -1.736 1.00 0.00 H new ATOM 0 HA PHE A 49 1.914 0.383 -4.311 1.00 0.00 H new ATOM 0 HB2 PHE A 49 4.178 0.612 -3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.464 2.114 -3.644 1.00 0.00 H new ATOM 0 HD1 PHE A 49 3.611 -0.053 -0.618 1.00 0.00 H new ATOM 0 HD2 PHE A 49 3.244 3.870 -2.147 1.00 0.00 H new ATOM 0 HE1 PHE A 49 3.741 0.864 1.704 1.00 0.00 H new ATOM 0 HE2 PHE A 49 3.373 4.786 0.176 1.00 0.00 H new ATOM 0 HZ PHE A 49 3.618 3.272 2.072 1.00 0.00 H new ATOM 723 N LYS A 50 2.723 -1.748 -3.159 1.00 0.00 N ATOM 724 CA LYS A 50 2.818 -3.086 -2.601 1.00 0.00 C ATOM 725 C LYS A 50 3.590 -3.030 -1.281 1.00 0.00 C ATOM 726 O LYS A 50 4.235 -2.028 -0.977 1.00 0.00 O ATOM 727 CB LYS A 50 3.420 -4.051 -3.624 1.00 0.00 C ATOM 728 CG LYS A 50 2.686 -3.958 -4.963 1.00 0.00 C ATOM 729 CD LYS A 50 2.973 -5.184 -5.832 1.00 0.00 C ATOM 730 CE LYS A 50 2.073 -6.357 -5.439 1.00 0.00 C ATOM 731 NZ LYS A 50 1.963 -7.323 -6.556 1.00 0.00 N ATOM 0 H LYS A 50 3.209 -1.621 -4.047 1.00 0.00 H new ATOM 0 HA LYS A 50 1.826 -3.475 -2.374 1.00 0.00 H new ATOM 0 HB2 LYS A 50 4.476 -3.822 -3.767 1.00 0.00 H new ATOM 0 HB3 LYS A 50 3.363 -5.071 -3.244 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.613 -3.874 -4.789 1.00 0.00 H new ATOM 0 HG3 LYS A 50 2.995 -3.055 -5.489 1.00 0.00 H new ATOM 0 HD2 LYS A 50 2.815 -4.935 -6.881 1.00 0.00 H new ATOM 0 HD3 LYS A 50 4.019 -5.472 -5.727 1.00 0.00 H new ATOM 0 HE2 LYS A 50 2.478 -6.855 -4.558 1.00 0.00 H new ATOM 0 HE3 LYS A 50 1.083 -5.989 -5.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 1.349 -8.113 -6.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 1.555 -6.848 -7.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 2.908 -7.687 -6.794 1.00 0.00 H new ATOM 745 N PRO A 51 3.494 -4.147 -0.511 1.00 0.00 N ATOM 746 CA PRO A 51 4.176 -4.234 0.769 1.00 0.00 C ATOM 747 C PRO A 51 5.678 -4.452 0.577 1.00 0.00 C ATOM 748 O PRO A 51 6.092 -5.430 -0.043 1.00 0.00 O ATOM 749 CB PRO A 51 3.497 -5.382 1.498 1.00 0.00 C ATOM 750 CG PRO A 51 2.782 -6.191 0.428 1.00 0.00 C ATOM 751 CD PRO A 51 2.739 -5.352 -0.839 1.00 0.00 C ATOM 0 HA PRO A 51 4.104 -3.313 1.348 1.00 0.00 H new ATOM 0 HB2 PRO A 51 4.227 -5.994 2.028 1.00 0.00 H new ATOM 0 HB3 PRO A 51 2.793 -5.010 2.242 1.00 0.00 H new ATOM 0 HG2 PRO A 51 3.305 -7.130 0.246 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.773 -6.445 0.752 1.00 0.00 H new ATOM 0 HD2 PRO A 51 3.185 -5.882 -1.680 1.00 0.00 H new ATOM 0 HD3 PRO A 51 1.714 -5.112 -1.121 1.00 0.00 H new ATOM 759 N LEU A 52 6.452 -3.525 1.122 1.00 0.00 N ATOM 760 CA LEU A 52 7.899 -3.604 1.018 1.00 0.00 C ATOM 761 C LEU A 52 8.329 -5.072 1.037 1.00 0.00 C ATOM 762 O LEU A 52 7.834 -5.857 1.845 1.00 0.00 O ATOM 763 CB LEU A 52 8.561 -2.756 2.106 1.00 0.00 C ATOM 764 CG LEU A 52 10.057 -2.993 2.325 1.00 0.00 C ATOM 765 CD1 LEU A 52 10.675 -1.867 3.156 1.00 0.00 C ATOM 766 CD2 LEU A 52 10.309 -4.369 2.945 1.00 0.00 C ATOM 0 H LEU A 52 6.105 -2.716 1.637 1.00 0.00 H new ATOM 0 HA LEU A 52 8.236 -3.185 0.070 1.00 0.00 H new ATOM 0 HB2 LEU A 52 8.412 -1.705 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 52 8.043 -2.939 3.047 1.00 0.00 H new ATOM 0 HG LEU A 52 10.550 -2.983 1.353 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.738 -2.060 3.297 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.544 -0.918 2.637 1.00 0.00 H new ATOM 0 HD13 LEU A 52 10.183 -1.820 4.128 1.00 0.00 H new ATOM 0 HD21 LEU A 52 11.380 -4.512 3.090 1.00 0.00 H new ATOM 0 HD22 LEU A 52 9.801 -4.433 3.907 1.00 0.00 H new ATOM 0 HD23 LEU A 52 9.926 -5.143 2.280 1.00 0.00 H new ATOM 778 N GLN A 53 9.245 -5.399 0.137 1.00 0.00 N ATOM 779 CA GLN A 53 9.746 -6.760 0.040 1.00 0.00 C ATOM 780 C GLN A 53 10.527 -7.129 1.303 1.00 0.00 C ATOM 781 O GLN A 53 11.755 -7.190 1.283 1.00 0.00 O ATOM 782 CB GLN A 53 10.610 -6.938 -1.210 1.00 0.00 C ATOM 783 CG GLN A 53 11.804 -5.980 -1.192 1.00 0.00 C ATOM 784 CD GLN A 53 11.664 -4.910 -2.277 1.00 0.00 C ATOM 785 OE1 GLN A 53 11.737 -5.180 -3.465 1.00 0.00 O ATOM 786 NE2 GLN A 53 11.460 -3.684 -1.804 1.00 0.00 N ATOM 0 H GLN A 53 9.653 -4.745 -0.531 1.00 0.00 H new ATOM 0 HA GLN A 53 8.894 -7.435 -0.048 1.00 0.00 H new ATOM 0 HB2 GLN A 53 10.965 -7.967 -1.267 1.00 0.00 H new ATOM 0 HB3 GLN A 53 10.008 -6.758 -2.101 1.00 0.00 H new ATOM 0 HG2 GLN A 53 11.878 -5.504 -0.214 1.00 0.00 H new ATOM 0 HG3 GLN A 53 12.727 -6.540 -1.345 1.00 0.00 H new ATOM 0 HE21 GLN A 53 11.409 -3.528 -0.797 1.00 0.00 H new ATOM 0 HE22 GLN A 53 11.354 -2.900 -2.448 1.00 0.00 H new ATOM 795 N GLU A 54 9.781 -7.366 2.373 1.00 0.00 N ATOM 796 CA GLU A 54 10.388 -7.728 3.643 1.00 0.00 C ATOM 797 C GLU A 54 11.515 -8.740 3.423 1.00 0.00 C ATOM 798 O GLU A 54 11.315 -9.766 2.776 1.00 0.00 O ATOM 799 CB GLU A 54 9.341 -8.275 4.614 1.00 0.00 C ATOM 800 CG GLU A 54 9.058 -9.754 4.340 1.00 0.00 C ATOM 801 CD GLU A 54 8.454 -9.947 2.947 1.00 0.00 C ATOM 802 OE1 GLU A 54 7.324 -9.453 2.745 1.00 0.00 O ATOM 803 OE2 GLU A 54 9.138 -10.584 2.116 1.00 0.00 O ATOM 0 H GLU A 54 8.762 -7.314 2.386 1.00 0.00 H new ATOM 0 HA GLU A 54 10.815 -6.830 4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 54 9.691 -8.152 5.639 1.00 0.00 H new ATOM 0 HB3 GLU A 54 8.419 -7.701 4.521 1.00 0.00 H new ATOM 0 HG2 GLU A 54 9.982 -10.326 4.422 1.00 0.00 H new ATOM 0 HG3 GLU A 54 8.374 -10.143 5.094 1.00 0.00 H new ATOM 810 N ALA A 55 12.674 -8.415 3.975 1.00 0.00 N ATOM 811 CA ALA A 55 13.833 -9.282 3.848 1.00 0.00 C ATOM 812 C ALA A 55 14.887 -8.873 4.879 1.00 0.00 C ATOM 813 O ALA A 55 15.182 -9.628 5.804 1.00 0.00 O ATOM 814 CB ALA A 55 14.364 -9.219 2.415 1.00 0.00 C ATOM 0 H ALA A 55 12.836 -7.563 4.512 1.00 0.00 H new ATOM 0 HA ALA A 55 13.560 -10.318 4.049 1.00 0.00 H new ATOM 0 HB1 ALA A 55 15.233 -9.870 2.320 1.00 0.00 H new ATOM 0 HB2 ALA A 55 13.588 -9.548 1.724 1.00 0.00 H new ATOM 0 HB3 ALA A 55 14.650 -8.194 2.178 1.00 0.00 H new ATOM 820 N GLU A 56 15.425 -7.678 4.685 1.00 0.00 N ATOM 821 CA GLU A 56 16.440 -7.159 5.587 1.00 0.00 C ATOM 822 C GLU A 56 15.994 -5.819 6.173 1.00 0.00 C ATOM 823 O GLU A 56 14.999 -5.244 5.732 1.00 0.00 O ATOM 824 CB GLU A 56 17.788 -7.025 4.876 1.00 0.00 C ATOM 825 CG GLU A 56 18.377 -8.400 4.553 1.00 0.00 C ATOM 826 CD GLU A 56 19.134 -8.968 5.756 1.00 0.00 C ATOM 827 OE1 GLU A 56 19.971 -8.219 6.305 1.00 0.00 O ATOM 828 OE2 GLU A 56 18.860 -10.138 6.098 1.00 0.00 O ATOM 0 H GLU A 56 15.178 -7.054 3.917 1.00 0.00 H new ATOM 0 HA GLU A 56 16.567 -7.867 6.406 1.00 0.00 H new ATOM 0 HB2 GLU A 56 17.663 -6.454 3.956 1.00 0.00 H new ATOM 0 HB3 GLU A 56 18.481 -6.467 5.506 1.00 0.00 H new ATOM 0 HG2 GLU A 56 17.578 -9.084 4.266 1.00 0.00 H new ATOM 0 HG3 GLU A 56 19.050 -8.320 3.700 1.00 0.00 H new ATOM 835 N CYS A 57 16.750 -5.359 7.159 1.00 0.00 N ATOM 836 CA CYS A 57 16.445 -4.097 7.811 1.00 0.00 C ATOM 837 C CYS A 57 15.222 -4.302 8.707 1.00 0.00 C ATOM 838 O CYS A 57 15.300 -4.122 9.921 1.00 0.00 O ATOM 839 CB CYS A 57 16.226 -2.974 6.795 1.00 0.00 C ATOM 840 SG CYS A 57 17.476 -1.639 6.845 1.00 0.00 S ATOM 0 H CYS A 57 17.574 -5.838 7.522 1.00 0.00 H new ATOM 0 HA CYS A 57 17.293 -3.786 8.421 1.00 0.00 H new ATOM 0 HB2 CYS A 57 16.216 -3.406 5.794 1.00 0.00 H new ATOM 0 HB3 CYS A 57 15.242 -2.537 6.964 1.00 0.00 H new ATOM 0 HG CYS A 57 17.194 -0.746 5.943 1.00 0.00 H new ATOM 845 N THR A 58 14.120 -4.676 8.073 1.00 0.00 N ATOM 846 CA THR A 58 12.882 -4.908 8.798 1.00 0.00 C ATOM 847 C THR A 58 13.164 -5.627 10.119 1.00 0.00 C ATOM 848 O THR A 58 12.864 -5.103 11.191 1.00 0.00 O ATOM 849 CB THR A 58 11.933 -5.678 7.878 1.00 0.00 C ATOM 850 OG1 THR A 58 12.621 -6.897 7.610 1.00 0.00 O ATOM 851 CG2 THR A 58 11.789 -5.021 6.503 1.00 0.00 C ATOM 0 H THR A 58 14.059 -4.824 7.066 1.00 0.00 H new ATOM 0 HA THR A 58 12.402 -3.968 9.072 1.00 0.00 H new ATOM 0 HB THR A 58 10.953 -5.753 8.349 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.075 -7.458 7.021 1.00 0.00 H new ATOM 0 HG21 THR A 58 11.105 -5.607 5.889 1.00 0.00 H new ATOM 0 HG22 THR A 58 11.396 -4.011 6.622 1.00 0.00 H new ATOM 0 HG23 THR A 58 12.764 -4.976 6.017 1.00 0.00 H new ATOM 859 N PHE A 59 13.737 -6.815 9.999 1.00 0.00 N ATOM 860 CA PHE A 59 14.062 -7.611 11.170 1.00 0.00 C ATOM 861 C PHE A 59 15.180 -6.956 11.984 1.00 0.00 C ATOM 862 O PHE A 59 14.983 -6.609 13.148 1.00 0.00 O ATOM 863 CB PHE A 59 14.546 -8.972 10.665 1.00 0.00 C ATOM 864 CG PHE A 59 14.062 -10.155 11.507 1.00 0.00 C ATOM 865 CD1 PHE A 59 12.774 -10.579 11.407 1.00 0.00 C ATOM 866 CD2 PHE A 59 14.920 -10.782 12.355 1.00 0.00 C ATOM 867 CE1 PHE A 59 12.325 -11.677 12.188 1.00 0.00 C ATOM 868 CE2 PHE A 59 14.471 -11.880 13.136 1.00 0.00 C ATOM 869 CZ PHE A 59 13.183 -12.304 13.036 1.00 0.00 C ATOM 0 H PHE A 59 13.985 -7.246 9.108 1.00 0.00 H new ATOM 0 HA PHE A 59 13.186 -7.703 11.813 1.00 0.00 H new ATOM 0 HB2 PHE A 59 14.209 -9.108 9.638 1.00 0.00 H new ATOM 0 HB3 PHE A 59 15.636 -8.975 10.646 1.00 0.00 H new ATOM 0 HD1 PHE A 59 12.092 -10.081 10.734 1.00 0.00 H new ATOM 0 HD2 PHE A 59 15.943 -10.445 12.435 1.00 0.00 H new ATOM 0 HE1 PHE A 59 11.302 -12.014 12.108 1.00 0.00 H new ATOM 0 HE2 PHE A 59 15.153 -12.378 13.809 1.00 0.00 H new ATOM 0 HZ PHE A 59 12.842 -13.139 13.630 1.00 0.00 H new TER 879 PHE A 59