USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 510 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 4 LYS NZ :NH3+ -145:sc= -0.36 (180deg=-1.62!) USER MOD Set 1.2: A 47 MET CE :methyl -145:sc= -0.637 (180deg=-2.87!) USER MOD Single : A 1 GLU N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.251 USER MOD Single : A 7 SER OG : rot 128:sc= -2.18! USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 ASN : amide:sc= -0.784 K(o=-0.78,f=-3.8!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.0581 USER MOD Single : A 30 ASN : amide:sc= -0.018 X(o=-0.018,f=-0.02) USER MOD Single : A 34 GLN : amide:sc= 0 K(o=0,f=-1.3!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 HIS :FLIP no HD1:sc= -1.44 F(o=-2.7!,f=-1.4) USER MOD Single : A 43 ASN : amide:sc= -4.68! C(o=-4.7!,f=-14!) USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 160:sc= -0.865 USER MOD Single : A 53 GLN :FLIP amide:sc= 0 F(o=-0.82,f=0) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 10.240 -4.097 8.472 1.00 0.00 N ATOM 2 CA GLU A 1 9.149 -3.623 7.570 1.00 0.00 C ATOM 3 C GLU A 1 8.144 -2.777 8.356 1.00 0.00 C ATOM 4 O GLU A 1 7.080 -3.238 8.720 1.00 0.00 O ATOM 5 CB GLU A 1 8.486 -4.898 7.048 1.00 0.00 C ATOM 6 CG GLU A 1 7.619 -4.562 5.833 1.00 0.00 C ATOM 7 CD GLU A 1 6.939 -5.835 5.324 1.00 0.00 C ATOM 8 OE1 GLU A 1 7.221 -6.891 5.867 1.00 0.00 O ATOM 9 OE2 GLU A 1 6.149 -5.732 4.401 1.00 0.00 O ATOM 0 H1 GLU A 1 10.916 -4.670 7.928 1.00 0.00 H new ATOM 0 H2 GLU A 1 10.732 -3.278 8.882 1.00 0.00 H new ATOM 0 H3 GLU A 1 9.833 -4.674 9.236 1.00 0.00 H new ATOM 0 HA GLU A 1 9.524 -2.998 6.760 1.00 0.00 H new ATOM 0 HB2 GLU A 1 9.246 -5.630 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 1 7.875 -5.349 7.830 1.00 0.00 H new ATOM 0 HG2 GLU A 1 6.869 -3.819 6.103 1.00 0.00 H new ATOM 0 HG3 GLU A 1 8.232 -4.124 5.045 1.00 0.00 H new ATOM 18 N SER A 2 8.473 -1.542 8.621 1.00 0.00 N ATOM 19 CA SER A 2 7.537 -0.667 9.384 1.00 0.00 C ATOM 20 C SER A 2 6.394 -0.198 8.480 1.00 0.00 C ATOM 21 O SER A 2 5.411 0.350 8.940 1.00 0.00 O ATOM 22 CB SER A 2 8.386 0.522 9.835 1.00 0.00 C ATOM 23 OG SER A 2 7.605 1.375 10.659 1.00 0.00 O ATOM 0 H SER A 2 9.349 -1.101 8.342 1.00 0.00 H new ATOM 0 HA SER A 2 7.081 -1.186 10.227 1.00 0.00 H new ATOM 0 HB2 SER A 2 9.261 0.171 10.382 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.752 1.071 8.968 1.00 0.00 H new ATOM 0 HG SER A 2 8.149 2.137 10.950 1.00 0.00 H new ATOM 29 N GLY A 3 6.513 -0.407 7.198 1.00 0.00 N ATOM 30 CA GLY A 3 5.432 0.027 6.269 1.00 0.00 C ATOM 31 C GLY A 3 6.051 0.498 4.952 1.00 0.00 C ATOM 32 O GLY A 3 7.252 0.621 4.828 1.00 0.00 O ATOM 0 H GLY A 3 7.312 -0.859 6.754 1.00 0.00 H new ATOM 0 HA2 GLY A 3 4.743 -0.797 6.085 1.00 0.00 H new ATOM 0 HA3 GLY A 3 4.852 0.833 6.719 1.00 0.00 H new ATOM 36 N LYS A 4 5.239 0.764 3.964 1.00 0.00 N ATOM 37 CA LYS A 4 5.781 1.226 2.655 1.00 0.00 C ATOM 38 C LYS A 4 6.674 2.455 2.853 1.00 0.00 C ATOM 39 O LYS A 4 7.463 2.805 1.998 1.00 0.00 O ATOM 40 CB LYS A 4 4.550 1.586 1.822 1.00 0.00 C ATOM 41 CG LYS A 4 4.992 2.200 0.492 1.00 0.00 C ATOM 42 CD LYS A 4 5.670 1.128 -0.366 1.00 0.00 C ATOM 43 CE LYS A 4 6.039 1.723 -1.726 1.00 0.00 C ATOM 44 NZ LYS A 4 7.283 1.011 -2.130 1.00 0.00 N ATOM 0 H LYS A 4 4.223 0.681 4.008 1.00 0.00 H new ATOM 0 HA LYS A 4 6.393 0.465 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 4 3.948 0.696 1.641 1.00 0.00 H new ATOM 0 HB3 LYS A 4 3.922 2.290 2.368 1.00 0.00 H new ATOM 0 HG2 LYS A 4 4.131 2.611 -0.035 1.00 0.00 H new ATOM 0 HG3 LYS A 4 5.680 3.026 0.672 1.00 0.00 H new ATOM 0 HD2 LYS A 4 6.564 0.757 0.135 1.00 0.00 H new ATOM 0 HD3 LYS A 4 5.002 0.277 -0.498 1.00 0.00 H new ATOM 0 HE2 LYS A 4 5.242 1.570 -2.454 1.00 0.00 H new ATOM 0 HE3 LYS A 4 6.204 2.798 -1.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 7.904 1.664 -2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 7.776 0.665 -1.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 7.039 0.206 -2.742 1.00 0.00 H new ATOM 58 N ALA A 5 6.556 3.113 3.973 1.00 0.00 N ATOM 59 CA ALA A 5 7.399 4.319 4.222 1.00 0.00 C ATOM 60 C ALA A 5 8.802 3.903 4.672 1.00 0.00 C ATOM 61 O ALA A 5 9.706 4.712 4.739 1.00 0.00 O ATOM 62 CB ALA A 5 6.681 5.080 5.337 1.00 0.00 C ATOM 0 H ALA A 5 5.913 2.869 4.727 1.00 0.00 H new ATOM 0 HA ALA A 5 7.522 4.928 3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 5 7.240 5.984 5.579 1.00 0.00 H new ATOM 0 HB2 ALA A 5 5.679 5.351 5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 5 6.611 4.448 6.222 1.00 0.00 H new ATOM 68 N THR A 6 8.992 2.650 4.982 1.00 0.00 N ATOM 69 CA THR A 6 10.339 2.189 5.428 1.00 0.00 C ATOM 70 C THR A 6 11.312 2.172 4.251 1.00 0.00 C ATOM 71 O THR A 6 11.062 2.748 3.210 1.00 0.00 O ATOM 72 CB THR A 6 10.127 0.770 5.955 1.00 0.00 C ATOM 73 OG1 THR A 6 11.340 0.291 6.519 1.00 0.00 O ATOM 74 CG2 THR A 6 9.701 -0.144 4.806 1.00 0.00 C ATOM 0 H THR A 6 8.275 1.926 4.946 1.00 0.00 H new ATOM 0 HA THR A 6 10.762 2.848 6.186 1.00 0.00 H new ATOM 0 HB THR A 6 9.349 0.777 6.718 1.00 0.00 H new ATOM 0 HG1 THR A 6 11.206 -0.618 6.859 1.00 0.00 H new ATOM 0 HG21 THR A 6 9.550 -1.156 5.183 1.00 0.00 H new ATOM 0 HG22 THR A 6 8.771 0.225 4.373 1.00 0.00 H new ATOM 0 HG23 THR A 6 10.478 -0.154 4.042 1.00 0.00 H new ATOM 82 N SER A 7 12.420 1.509 4.414 1.00 0.00 N ATOM 83 CA SER A 7 13.421 1.442 3.311 1.00 0.00 C ATOM 84 C SER A 7 13.106 0.265 2.384 1.00 0.00 C ATOM 85 O SER A 7 12.486 -0.702 2.782 1.00 0.00 O ATOM 86 CB SER A 7 14.765 1.230 4.008 1.00 0.00 C ATOM 87 OG SER A 7 15.119 -0.144 3.949 1.00 0.00 O ATOM 0 H SER A 7 12.678 1.009 5.265 1.00 0.00 H new ATOM 0 HA SER A 7 13.419 2.342 2.695 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.534 1.835 3.529 1.00 0.00 H new ATOM 0 HB3 SER A 7 14.703 1.556 5.046 1.00 0.00 H new ATOM 0 HG SER A 7 16.025 -0.233 3.587 1.00 0.00 H new ATOM 93 N TYR A 8 13.528 0.338 1.152 1.00 0.00 N ATOM 94 CA TYR A 8 13.252 -0.778 0.203 1.00 0.00 C ATOM 95 C TYR A 8 14.105 -1.996 0.559 1.00 0.00 C ATOM 96 O TYR A 8 13.624 -3.112 0.602 1.00 0.00 O ATOM 97 CB TYR A 8 13.633 -0.230 -1.171 1.00 0.00 C ATOM 98 CG TYR A 8 12.704 0.905 -1.527 1.00 0.00 C ATOM 99 CD1 TYR A 8 11.334 0.796 -1.261 1.00 0.00 C ATOM 100 CD2 TYR A 8 13.211 2.068 -2.120 1.00 0.00 C ATOM 101 CE1 TYR A 8 10.470 1.847 -1.587 1.00 0.00 C ATOM 102 CE2 TYR A 8 12.348 3.120 -2.447 1.00 0.00 C ATOM 103 CZ TYR A 8 10.978 3.010 -2.181 1.00 0.00 C ATOM 104 OH TYR A 8 10.127 4.048 -2.502 1.00 0.00 O ATOM 0 H TYR A 8 14.052 1.121 0.761 1.00 0.00 H new ATOM 0 HA TYR A 8 12.212 -1.104 0.234 1.00 0.00 H new ATOM 0 HB2 TYR A 8 14.666 0.118 -1.163 1.00 0.00 H new ATOM 0 HB3 TYR A 8 13.568 -1.018 -1.921 1.00 0.00 H new ATOM 0 HD1 TYR A 8 10.943 -0.101 -0.803 1.00 0.00 H new ATOM 0 HD2 TYR A 8 14.268 2.153 -2.325 1.00 0.00 H new ATOM 0 HE1 TYR A 8 9.413 1.762 -1.381 1.00 0.00 H new ATOM 0 HE2 TYR A 8 12.739 4.017 -2.905 1.00 0.00 H new ATOM 0 HH TYR A 8 10.640 4.779 -2.905 1.00 0.00 H new ATOM 114 N ALA A 9 15.367 -1.795 0.822 1.00 0.00 N ATOM 115 CA ALA A 9 16.244 -2.945 1.182 1.00 0.00 C ATOM 116 C ALA A 9 15.674 -3.673 2.403 1.00 0.00 C ATOM 117 O ALA A 9 15.934 -4.839 2.620 1.00 0.00 O ATOM 118 CB ALA A 9 17.602 -2.324 1.509 1.00 0.00 C ATOM 0 H ALA A 9 15.828 -0.886 0.803 1.00 0.00 H new ATOM 0 HA ALA A 9 16.319 -3.678 0.379 1.00 0.00 H new ATOM 0 HB1 ALA A 9 18.305 -3.110 1.785 1.00 0.00 H new ATOM 0 HB2 ALA A 9 17.978 -1.791 0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 9 17.493 -1.627 2.340 1.00 0.00 H new ATOM 124 N GLU A 10 14.894 -2.991 3.198 1.00 0.00 N ATOM 125 CA GLU A 10 14.299 -3.640 4.401 1.00 0.00 C ATOM 126 C GLU A 10 12.889 -4.138 4.076 1.00 0.00 C ATOM 127 O GLU A 10 12.411 -5.101 4.641 1.00 0.00 O ATOM 128 CB GLU A 10 14.249 -2.541 5.463 1.00 0.00 C ATOM 129 CG GLU A 10 15.673 -2.169 5.881 1.00 0.00 C ATOM 130 CD GLU A 10 15.627 -1.336 7.163 1.00 0.00 C ATOM 131 OE1 GLU A 10 14.544 -0.920 7.537 1.00 0.00 O ATOM 132 OE2 GLU A 10 16.677 -1.130 7.749 1.00 0.00 O ATOM 0 H GLU A 10 14.643 -2.011 3.066 1.00 0.00 H new ATOM 0 HA GLU A 10 14.876 -4.501 4.739 1.00 0.00 H new ATOM 0 HB2 GLU A 10 13.733 -1.665 5.070 1.00 0.00 H new ATOM 0 HB3 GLU A 10 13.682 -2.883 6.329 1.00 0.00 H new ATOM 0 HG2 GLU A 10 16.264 -3.071 6.042 1.00 0.00 H new ATOM 0 HG3 GLU A 10 16.161 -1.606 5.086 1.00 0.00 H new ATOM 139 N LEU A 11 12.225 -3.488 3.159 1.00 0.00 N ATOM 140 CA LEU A 11 10.849 -3.919 2.779 1.00 0.00 C ATOM 141 C LEU A 11 10.932 -5.084 1.796 1.00 0.00 C ATOM 142 O LEU A 11 10.507 -6.186 2.081 1.00 0.00 O ATOM 143 CB LEU A 11 10.223 -2.693 2.113 1.00 0.00 C ATOM 144 CG LEU A 11 8.699 -2.835 2.107 1.00 0.00 C ATOM 145 CD1 LEU A 11 8.142 -2.373 3.455 1.00 0.00 C ATOM 146 CD2 LEU A 11 8.112 -1.971 0.989 1.00 0.00 C ATOM 0 H LEU A 11 12.577 -2.674 2.655 1.00 0.00 H new ATOM 0 HA LEU A 11 10.261 -4.258 3.632 1.00 0.00 H new ATOM 0 HB2 LEU A 11 10.512 -1.788 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 11 10.593 -2.592 1.093 1.00 0.00 H new ATOM 0 HG LEU A 11 8.429 -3.878 1.939 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.057 -2.473 3.454 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.562 -2.987 4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 11 8.410 -1.330 3.621 1.00 0.00 H new ATOM 0 HD21 LEU A 11 7.027 -2.071 0.984 1.00 0.00 H new ATOM 0 HD22 LEU A 11 8.379 -0.928 1.157 1.00 0.00 H new ATOM 0 HD23 LEU A 11 8.511 -2.298 0.029 1.00 0.00 H new ATOM 158 N CYS A 12 11.490 -4.847 0.644 1.00 0.00 N ATOM 159 CA CYS A 12 11.620 -5.937 -0.362 1.00 0.00 C ATOM 160 C CYS A 12 12.473 -7.067 0.218 1.00 0.00 C ATOM 161 O CYS A 12 12.495 -8.170 -0.291 1.00 0.00 O ATOM 162 CB CYS A 12 12.324 -5.289 -1.555 1.00 0.00 C ATOM 163 SG CYS A 12 11.127 -4.322 -2.508 1.00 0.00 S ATOM 0 H CYS A 12 11.863 -3.943 0.354 1.00 0.00 H new ATOM 0 HA CYS A 12 10.660 -6.368 -0.645 1.00 0.00 H new ATOM 0 HB2 CYS A 12 13.133 -4.646 -1.208 1.00 0.00 H new ATOM 0 HB3 CYS A 12 12.774 -6.056 -2.186 1.00 0.00 H new ATOM 168 N ASN A 13 13.176 -6.795 1.285 1.00 0.00 N ATOM 169 CA ASN A 13 14.029 -7.843 1.911 1.00 0.00 C ATOM 170 C ASN A 13 13.257 -9.159 2.013 1.00 0.00 C ATOM 171 O ASN A 13 13.768 -10.218 1.707 1.00 0.00 O ATOM 172 CB ASN A 13 14.349 -7.301 3.304 1.00 0.00 C ATOM 173 CG ASN A 13 15.622 -7.964 3.832 1.00 0.00 C ATOM 174 OD1 ASN A 13 16.667 -7.873 3.219 1.00 0.00 O ATOM 175 ND2 ASN A 13 15.578 -8.633 4.952 1.00 0.00 N ATOM 0 H ASN A 13 13.195 -5.888 1.751 1.00 0.00 H new ATOM 0 HA ASN A 13 14.930 -8.048 1.333 1.00 0.00 H new ATOM 0 HB2 ASN A 13 14.480 -6.220 3.263 1.00 0.00 H new ATOM 0 HB3 ASN A 13 13.517 -7.496 3.981 1.00 0.00 H new ATOM 0 HD21 ASN A 13 16.421 -9.080 5.313 1.00 0.00 H new ATOM 0 HD22 ASN A 13 14.701 -8.709 5.466 1.00 0.00 H new ATOM 182 N GLU A 14 12.025 -9.097 2.435 1.00 0.00 N ATOM 183 CA GLU A 14 11.213 -10.342 2.553 1.00 0.00 C ATOM 184 C GLU A 14 11.194 -11.089 1.216 1.00 0.00 C ATOM 185 O GLU A 14 10.865 -12.256 1.150 1.00 0.00 O ATOM 186 CB GLU A 14 9.809 -9.864 2.921 1.00 0.00 C ATOM 187 CG GLU A 14 8.894 -11.074 3.123 1.00 0.00 C ATOM 188 CD GLU A 14 7.477 -10.595 3.447 1.00 0.00 C ATOM 189 OE1 GLU A 14 7.262 -9.394 3.433 1.00 0.00 O ATOM 190 OE2 GLU A 14 6.632 -11.436 3.702 1.00 0.00 O ATOM 0 H GLU A 14 11.544 -8.238 2.704 1.00 0.00 H new ATOM 0 HA GLU A 14 11.616 -11.031 3.295 1.00 0.00 H new ATOM 0 HB2 GLU A 14 9.844 -9.265 3.831 1.00 0.00 H new ATOM 0 HB3 GLU A 14 9.413 -9.223 2.133 1.00 0.00 H new ATOM 0 HG2 GLU A 14 8.884 -11.690 2.224 1.00 0.00 H new ATOM 0 HG3 GLU A 14 9.272 -11.698 3.933 1.00 0.00 H new ATOM 197 N TYR A 15 11.551 -10.424 0.149 1.00 0.00 N ATOM 198 CA TYR A 15 11.558 -11.097 -1.182 1.00 0.00 C ATOM 199 C TYR A 15 12.984 -11.498 -1.550 1.00 0.00 C ATOM 200 O TYR A 15 13.208 -12.394 -2.339 1.00 0.00 O ATOM 201 CB TYR A 15 11.028 -10.046 -2.156 1.00 0.00 C ATOM 202 CG TYR A 15 9.559 -9.837 -1.901 1.00 0.00 C ATOM 203 CD1 TYR A 15 8.695 -10.936 -1.879 1.00 0.00 C ATOM 204 CD2 TYR A 15 9.062 -8.549 -1.677 1.00 0.00 C ATOM 205 CE1 TYR A 15 7.331 -10.749 -1.635 1.00 0.00 C ATOM 206 CE2 TYR A 15 7.699 -8.359 -1.433 1.00 0.00 C ATOM 207 CZ TYR A 15 6.831 -9.460 -1.411 1.00 0.00 C ATOM 208 OH TYR A 15 5.485 -9.274 -1.169 1.00 0.00 O ATOM 0 H TYR A 15 11.838 -9.445 0.142 1.00 0.00 H new ATOM 0 HA TYR A 15 10.955 -12.005 -1.196 1.00 0.00 H new ATOM 0 HB2 TYR A 15 11.569 -9.108 -2.029 1.00 0.00 H new ATOM 0 HB3 TYR A 15 11.189 -10.370 -3.184 1.00 0.00 H new ATOM 0 HD1 TYR A 15 9.081 -11.930 -2.051 1.00 0.00 H new ATOM 0 HD2 TYR A 15 9.731 -7.701 -1.693 1.00 0.00 H new ATOM 0 HE1 TYR A 15 6.663 -11.598 -1.619 1.00 0.00 H new ATOM 0 HE2 TYR A 15 7.314 -7.364 -1.261 1.00 0.00 H new ATOM 0 HH TYR A 15 5.306 -8.320 -1.034 1.00 0.00 H new ATOM 218 N ARG A 16 13.949 -10.840 -0.976 1.00 0.00 N ATOM 219 CA ARG A 16 15.366 -11.174 -1.278 1.00 0.00 C ATOM 220 C ARG A 16 15.556 -12.692 -1.227 1.00 0.00 C ATOM 221 O ARG A 16 16.403 -13.246 -1.899 1.00 0.00 O ATOM 222 CB ARG A 16 16.159 -10.474 -0.175 1.00 0.00 C ATOM 223 CG ARG A 16 17.522 -11.142 0.004 1.00 0.00 C ATOM 224 CD ARG A 16 18.289 -10.443 1.131 1.00 0.00 C ATOM 225 NE ARG A 16 17.281 -10.217 2.208 1.00 0.00 N ATOM 226 CZ ARG A 16 17.405 -10.825 3.356 1.00 0.00 C ATOM 227 NH1 ARG A 16 18.471 -10.633 4.084 1.00 0.00 N ATOM 228 NH2 ARG A 16 16.462 -11.622 3.779 1.00 0.00 N ATOM 0 H ARG A 16 13.817 -10.081 -0.307 1.00 0.00 H new ATOM 0 HA ARG A 16 15.687 -10.854 -2.269 1.00 0.00 H new ATOM 0 HB2 ARG A 16 16.292 -9.422 -0.426 1.00 0.00 H new ATOM 0 HB3 ARG A 16 15.603 -10.511 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 16 17.393 -12.199 0.238 1.00 0.00 H new ATOM 0 HG3 ARG A 16 18.090 -11.088 -0.925 1.00 0.00 H new ATOM 0 HD2 ARG A 16 19.114 -11.060 1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 16 18.719 -9.501 0.790 1.00 0.00 H new ATOM 0 HE ARG A 16 16.495 -9.587 2.047 1.00 0.00 H new ATOM 0 HH11 ARG A 16 19.207 -10.008 3.756 1.00 0.00 H new ATOM 0 HH12 ARG A 16 18.568 -11.108 4.981 1.00 0.00 H new ATOM 0 HH21 ARG A 16 15.627 -11.770 3.212 1.00 0.00 H new ATOM 0 HH22 ARG A 16 16.560 -12.097 4.676 1.00 0.00 H new ATOM 242 N LYS A 17 14.764 -13.366 -0.439 1.00 0.00 N ATOM 243 CA LYS A 17 14.886 -14.850 -0.351 1.00 0.00 C ATOM 244 C LYS A 17 14.299 -15.485 -1.613 1.00 0.00 C ATOM 245 O LYS A 17 14.683 -16.566 -2.014 1.00 0.00 O ATOM 246 CB LYS A 17 14.068 -15.257 0.879 1.00 0.00 C ATOM 247 CG LYS A 17 14.278 -14.241 2.005 1.00 0.00 C ATOM 248 CD LYS A 17 14.090 -14.932 3.358 1.00 0.00 C ATOM 249 CE LYS A 17 12.612 -14.887 3.753 1.00 0.00 C ATOM 250 NZ LYS A 17 12.563 -15.494 5.114 1.00 0.00 N ATOM 0 H LYS A 17 14.038 -12.954 0.148 1.00 0.00 H new ATOM 0 HA LYS A 17 15.923 -15.176 -0.267 1.00 0.00 H new ATOM 0 HB2 LYS A 17 13.011 -15.313 0.621 1.00 0.00 H new ATOM 0 HB3 LYS A 17 14.368 -16.250 1.213 1.00 0.00 H new ATOM 0 HG2 LYS A 17 15.278 -13.811 1.940 1.00 0.00 H new ATOM 0 HG3 LYS A 17 13.570 -13.418 1.903 1.00 0.00 H new ATOM 0 HD2 LYS A 17 14.431 -15.966 3.301 1.00 0.00 H new ATOM 0 HD3 LYS A 17 14.696 -14.438 4.118 1.00 0.00 H new ATOM 0 HE2 LYS A 17 12.236 -13.864 3.762 1.00 0.00 H new ATOM 0 HE3 LYS A 17 11.997 -15.446 3.048 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.581 -15.500 5.456 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 12.921 -16.469 5.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 13.153 -14.936 5.764 1.00 0.00 H new ATOM 264 N LEU A 18 13.373 -14.814 -2.243 1.00 0.00 N ATOM 265 CA LEU A 18 12.759 -15.371 -3.483 1.00 0.00 C ATOM 266 C LEU A 18 13.603 -14.980 -4.698 1.00 0.00 C ATOM 267 O LEU A 18 13.831 -15.773 -5.591 1.00 0.00 O ATOM 268 CB LEU A 18 11.368 -14.731 -3.585 1.00 0.00 C ATOM 269 CG LEU A 18 10.754 -14.540 -2.192 1.00 0.00 C ATOM 270 CD1 LEU A 18 9.263 -14.235 -2.335 1.00 0.00 C ATOM 271 CD2 LEU A 18 10.932 -15.815 -1.369 1.00 0.00 C ATOM 0 H LEU A 18 13.015 -13.904 -1.953 1.00 0.00 H new ATOM 0 HA LEU A 18 12.700 -16.459 -3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 18 11.442 -13.768 -4.090 1.00 0.00 H new ATOM 0 HB3 LEU A 18 10.717 -15.360 -4.192 1.00 0.00 H new ATOM 0 HG LEU A 18 11.254 -13.713 -1.688 1.00 0.00 H new ATOM 0 HD11 LEU A 18 8.823 -14.099 -1.347 1.00 0.00 H new ATOM 0 HD12 LEU A 18 9.132 -13.324 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 18 8.769 -15.064 -2.841 1.00 0.00 H new ATOM 0 HD21 LEU A 18 10.494 -15.674 -0.381 1.00 0.00 H new ATOM 0 HD22 LEU A 18 10.435 -16.645 -1.871 1.00 0.00 H new ATOM 0 HD23 LEU A 18 11.994 -16.037 -1.267 1.00 0.00 H new ATOM 283 N VAL A 19 14.065 -13.759 -4.741 1.00 0.00 N ATOM 284 CA VAL A 19 14.890 -13.313 -5.901 1.00 0.00 C ATOM 285 C VAL A 19 16.368 -13.634 -5.665 1.00 0.00 C ATOM 286 O VAL A 19 16.996 -13.105 -4.769 1.00 0.00 O ATOM 287 CB VAL A 19 14.673 -11.801 -5.991 1.00 0.00 C ATOM 288 CG1 VAL A 19 14.933 -11.153 -4.631 1.00 0.00 C ATOM 289 CG2 VAL A 19 15.630 -11.209 -7.026 1.00 0.00 C ATOM 0 H VAL A 19 13.907 -13.052 -4.023 1.00 0.00 H new ATOM 0 HA VAL A 19 14.604 -13.819 -6.823 1.00 0.00 H new ATOM 0 HB VAL A 19 13.643 -11.606 -6.289 1.00 0.00 H new ATOM 0 HG11 VAL A 19 14.776 -10.077 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 19 14.248 -11.570 -3.893 1.00 0.00 H new ATOM 0 HG13 VAL A 19 15.960 -11.350 -4.325 1.00 0.00 H new ATOM 0 HG21 VAL A 19 15.476 -10.132 -7.090 1.00 0.00 H new ATOM 0 HG22 VAL A 19 16.659 -11.411 -6.728 1.00 0.00 H new ATOM 0 HG23 VAL A 19 15.439 -11.662 -7.999 1.00 0.00 H new ATOM 299 N ARG A 20 16.928 -14.498 -6.467 1.00 0.00 N ATOM 300 CA ARG A 20 18.367 -14.854 -6.296 1.00 0.00 C ATOM 301 C ARG A 20 19.242 -13.910 -7.125 1.00 0.00 C ATOM 302 O ARG A 20 19.660 -12.868 -6.660 1.00 0.00 O ATOM 303 CB ARG A 20 18.482 -16.288 -6.815 1.00 0.00 C ATOM 304 CG ARG A 20 17.857 -17.249 -5.802 1.00 0.00 C ATOM 305 CD ARG A 20 16.366 -17.408 -6.102 1.00 0.00 C ATOM 306 NE ARG A 20 15.882 -18.409 -5.109 1.00 0.00 N ATOM 307 CZ ARG A 20 14.947 -19.257 -5.441 1.00 0.00 C ATOM 308 NH1 ARG A 20 13.737 -19.108 -4.976 1.00 0.00 N ATOM 309 NH2 ARG A 20 15.221 -20.253 -6.237 1.00 0.00 N ATOM 0 H ARG A 20 16.452 -14.973 -7.234 1.00 0.00 H new ATOM 0 HA ARG A 20 18.697 -14.768 -5.261 1.00 0.00 H new ATOM 0 HB2 ARG A 20 17.978 -16.379 -7.777 1.00 0.00 H new ATOM 0 HB3 ARG A 20 19.529 -16.544 -6.977 1.00 0.00 H new ATOM 0 HG2 ARG A 20 18.354 -18.218 -5.850 1.00 0.00 H new ATOM 0 HG3 ARG A 20 17.997 -16.869 -4.790 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.838 -16.460 -5.997 1.00 0.00 H new ATOM 0 HD3 ARG A 20 16.203 -17.753 -7.123 1.00 0.00 H new ATOM 0 HE ARG A 20 16.281 -18.431 -4.171 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.522 -18.329 -4.353 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.006 -19.770 -5.235 1.00 0.00 H new ATOM 0 HH21 ARG A 20 16.167 -20.370 -6.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.490 -20.915 -6.496 1.00 0.00 H new ATOM 323 N ASN A 21 19.518 -14.263 -8.351 1.00 0.00 N ATOM 324 CA ASN A 21 20.361 -13.383 -9.210 1.00 0.00 C ATOM 325 C ASN A 21 19.498 -12.723 -10.287 1.00 0.00 C ATOM 326 O ASN A 21 19.928 -12.516 -11.405 1.00 0.00 O ATOM 327 CB ASN A 21 21.392 -14.317 -9.846 1.00 0.00 C ATOM 328 CG ASN A 21 22.371 -14.804 -8.776 1.00 0.00 C ATOM 329 OD1 ASN A 21 23.130 -14.026 -8.232 1.00 0.00 O ATOM 330 ND2 ASN A 21 22.385 -16.066 -8.448 1.00 0.00 N ATOM 0 H ASN A 21 19.196 -15.123 -8.795 1.00 0.00 H new ATOM 0 HA ASN A 21 20.835 -12.582 -8.644 1.00 0.00 H new ATOM 0 HB2 ASN A 21 20.891 -15.167 -10.309 1.00 0.00 H new ATOM 0 HB3 ASN A 21 21.931 -13.796 -10.637 1.00 0.00 H new ATOM 0 HD21 ASN A 21 23.033 -16.400 -7.735 1.00 0.00 H new ATOM 0 HD22 ASN A 21 21.748 -16.719 -8.905 1.00 0.00 H new ATOM 337 N GLY A 22 18.278 -12.394 -9.960 1.00 0.00 N ATOM 338 CA GLY A 22 17.383 -11.752 -10.962 1.00 0.00 C ATOM 339 C GLY A 22 16.152 -12.636 -11.180 1.00 0.00 C ATOM 340 O GLY A 22 15.528 -12.603 -12.223 1.00 0.00 O ATOM 0 H GLY A 22 17.863 -12.543 -9.040 1.00 0.00 H new ATOM 0 HA2 GLY A 22 17.079 -10.764 -10.615 1.00 0.00 H new ATOM 0 HA3 GLY A 22 17.914 -11.610 -11.903 1.00 0.00 H new ATOM 344 N LYS A 23 15.802 -13.429 -10.205 1.00 0.00 N ATOM 345 CA LYS A 23 14.614 -14.319 -10.354 1.00 0.00 C ATOM 346 C LYS A 23 13.762 -14.275 -9.083 1.00 0.00 C ATOM 347 O LYS A 23 13.850 -15.142 -8.236 1.00 0.00 O ATOM 348 CB LYS A 23 15.186 -15.724 -10.560 1.00 0.00 C ATOM 349 CG LYS A 23 16.386 -15.662 -11.508 1.00 0.00 C ATOM 350 CD LYS A 23 16.974 -17.063 -11.678 1.00 0.00 C ATOM 351 CE LYS A 23 17.999 -17.052 -12.814 1.00 0.00 C ATOM 352 NZ LYS A 23 17.234 -17.471 -14.023 1.00 0.00 N ATOM 0 H LYS A 23 16.287 -13.500 -9.311 1.00 0.00 H new ATOM 0 HA LYS A 23 13.975 -14.014 -11.183 1.00 0.00 H new ATOM 0 HB2 LYS A 23 15.489 -16.147 -9.602 1.00 0.00 H new ATOM 0 HB3 LYS A 23 14.420 -16.382 -10.971 1.00 0.00 H new ATOM 0 HG2 LYS A 23 16.079 -15.265 -12.476 1.00 0.00 H new ATOM 0 HG3 LYS A 23 17.142 -14.984 -11.111 1.00 0.00 H new ATOM 0 HD2 LYS A 23 17.447 -17.385 -10.750 1.00 0.00 H new ATOM 0 HD3 LYS A 23 16.181 -17.778 -11.897 1.00 0.00 H new ATOM 0 HE2 LYS A 23 18.433 -16.061 -12.945 1.00 0.00 H new ATOM 0 HE3 LYS A 23 18.822 -17.737 -12.610 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 17.869 -17.488 -14.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 16.838 -18.421 -13.871 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 16.461 -16.797 -14.196 1.00 0.00 H new ATOM 366 N LEU A 24 12.938 -13.274 -8.941 1.00 0.00 N ATOM 367 CA LEU A 24 12.086 -13.179 -7.720 1.00 0.00 C ATOM 368 C LEU A 24 10.876 -14.106 -7.847 1.00 0.00 C ATOM 369 O LEU A 24 10.321 -14.276 -8.914 1.00 0.00 O ATOM 370 CB LEU A 24 11.642 -11.716 -7.661 1.00 0.00 C ATOM 371 CG LEU A 24 10.786 -11.483 -6.412 1.00 0.00 C ATOM 372 CD1 LEU A 24 11.625 -11.713 -5.157 1.00 0.00 C ATOM 373 CD2 LEU A 24 10.271 -10.044 -6.408 1.00 0.00 C ATOM 0 H LEU A 24 12.817 -12.519 -9.616 1.00 0.00 H new ATOM 0 HA LEU A 24 12.619 -13.478 -6.818 1.00 0.00 H new ATOM 0 HB2 LEU A 24 12.514 -11.062 -7.642 1.00 0.00 H new ATOM 0 HB3 LEU A 24 11.073 -11.463 -8.555 1.00 0.00 H new ATOM 0 HG LEU A 24 9.947 -12.178 -6.422 1.00 0.00 H new ATOM 0 HD11 LEU A 24 11.010 -11.546 -4.273 1.00 0.00 H new ATOM 0 HD12 LEU A 24 11.998 -12.737 -5.151 1.00 0.00 H new ATOM 0 HD13 LEU A 24 12.467 -11.020 -5.150 1.00 0.00 H new ATOM 0 HD21 LEU A 24 9.662 -9.878 -5.519 1.00 0.00 H new ATOM 0 HD22 LEU A 24 11.116 -9.355 -6.403 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.667 -9.871 -7.299 1.00 0.00 H new ATOM 385 N ALA A 25 10.464 -14.712 -6.767 1.00 0.00 N ATOM 386 CA ALA A 25 9.292 -15.631 -6.831 1.00 0.00 C ATOM 387 C ALA A 25 8.131 -15.080 -5.999 1.00 0.00 C ATOM 388 O ALA A 25 8.135 -15.147 -4.786 1.00 0.00 O ATOM 389 CB ALA A 25 9.790 -16.951 -6.244 1.00 0.00 C ATOM 0 H ALA A 25 10.887 -14.611 -5.845 1.00 0.00 H new ATOM 0 HA ALA A 25 8.921 -15.749 -7.849 1.00 0.00 H new ATOM 0 HB1 ALA A 25 8.982 -17.682 -6.256 1.00 0.00 H new ATOM 0 HB2 ALA A 25 10.624 -17.322 -6.839 1.00 0.00 H new ATOM 0 HB3 ALA A 25 10.119 -16.791 -5.217 1.00 0.00 H new ATOM 395 N CYS A 26 7.133 -14.546 -6.645 1.00 0.00 N ATOM 396 CA CYS A 26 5.964 -13.998 -5.900 1.00 0.00 C ATOM 397 C CYS A 26 4.666 -14.401 -6.606 1.00 0.00 C ATOM 398 O CYS A 26 4.677 -15.164 -7.551 1.00 0.00 O ATOM 399 CB CYS A 26 6.146 -12.479 -5.922 1.00 0.00 C ATOM 400 SG CYS A 26 6.013 -11.871 -7.622 1.00 0.00 S ATOM 0 H CYS A 26 7.076 -14.465 -7.660 1.00 0.00 H new ATOM 0 HA CYS A 26 5.906 -14.377 -4.880 1.00 0.00 H new ATOM 0 HB2 CYS A 26 5.391 -12.004 -5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 26 7.118 -12.214 -5.506 1.00 0.00 H new ATOM 405 N THR A 27 3.549 -13.901 -6.156 1.00 0.00 N ATOM 406 CA THR A 27 2.259 -14.267 -6.807 1.00 0.00 C ATOM 407 C THR A 27 1.746 -13.108 -7.663 1.00 0.00 C ATOM 408 O THR A 27 2.326 -12.042 -7.695 1.00 0.00 O ATOM 409 CB THR A 27 1.302 -14.549 -5.650 1.00 0.00 C ATOM 410 OG1 THR A 27 1.453 -13.545 -4.656 1.00 0.00 O ATOM 411 CG2 THR A 27 1.622 -15.918 -5.051 1.00 0.00 C ATOM 0 H THR A 27 3.473 -13.257 -5.369 1.00 0.00 H new ATOM 0 HA THR A 27 2.360 -15.125 -7.472 1.00 0.00 H new ATOM 0 HB THR A 27 0.275 -14.544 -6.014 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.838 -13.724 -3.914 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.941 -16.122 -4.225 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.505 -16.686 -5.816 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.648 -15.924 -4.684 1.00 0.00 H new ATOM 419 N ARG A 28 0.663 -13.311 -8.362 1.00 0.00 N ATOM 420 CA ARG A 28 0.114 -12.222 -9.220 1.00 0.00 C ATOM 421 C ARG A 28 -0.983 -11.459 -8.473 1.00 0.00 C ATOM 422 O ARG A 28 -2.046 -11.203 -9.003 1.00 0.00 O ATOM 423 CB ARG A 28 -0.466 -12.935 -10.441 1.00 0.00 C ATOM 424 CG ARG A 28 0.656 -13.647 -11.198 1.00 0.00 C ATOM 425 CD ARG A 28 0.084 -14.309 -12.454 1.00 0.00 C ATOM 426 NE ARG A 28 1.196 -15.146 -12.985 1.00 0.00 N ATOM 427 CZ ARG A 28 1.645 -16.153 -12.288 1.00 0.00 C ATOM 428 NH1 ARG A 28 2.662 -15.990 -11.485 1.00 0.00 N ATOM 429 NH2 ARG A 28 1.078 -17.324 -12.392 1.00 0.00 N ATOM 0 H ARG A 28 0.134 -14.183 -8.376 1.00 0.00 H new ATOM 0 HA ARG A 28 0.875 -11.492 -9.496 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -1.223 -13.655 -10.129 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -0.960 -12.216 -11.094 1.00 0.00 H new ATOM 0 HG2 ARG A 28 1.434 -12.934 -11.472 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.122 -14.397 -10.559 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -0.790 -14.916 -12.218 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.233 -13.564 -13.184 1.00 0.00 H new ATOM 0 HE ARG A 28 1.606 -14.932 -13.894 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.105 -15.075 -11.403 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.013 -16.778 -10.940 1.00 0.00 H new ATOM 0 HH21 ARG A 28 0.283 -17.452 -13.019 1.00 0.00 H new ATOM 0 HH22 ARG A 28 1.430 -18.111 -11.847 1.00 0.00 H new ATOM 443 N GLU A 29 -0.735 -11.092 -7.245 1.00 0.00 N ATOM 444 CA GLU A 29 -1.765 -10.344 -6.469 1.00 0.00 C ATOM 445 C GLU A 29 -2.308 -9.180 -7.300 1.00 0.00 C ATOM 446 O GLU A 29 -1.654 -8.686 -8.196 1.00 0.00 O ATOM 447 CB GLU A 29 -1.031 -9.827 -5.231 1.00 0.00 C ATOM 448 CG GLU A 29 -1.890 -8.772 -4.533 1.00 0.00 C ATOM 449 CD GLU A 29 -1.114 -8.182 -3.354 1.00 0.00 C ATOM 450 OE1 GLU A 29 0.086 -8.394 -3.294 1.00 0.00 O ATOM 451 OE2 GLU A 29 -1.733 -7.530 -2.529 1.00 0.00 O ATOM 0 H GLU A 29 0.135 -11.277 -6.746 1.00 0.00 H new ATOM 0 HA GLU A 29 -2.618 -10.968 -6.203 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -0.822 -10.651 -4.549 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -0.071 -9.398 -5.517 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -2.159 -7.984 -5.236 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.821 -9.219 -4.183 1.00 0.00 H new ATOM 458 N ASN A 30 -3.501 -8.737 -7.009 1.00 0.00 N ATOM 459 CA ASN A 30 -4.085 -7.606 -7.785 1.00 0.00 C ATOM 460 C ASN A 30 -3.827 -6.282 -7.060 1.00 0.00 C ATOM 461 O ASN A 30 -4.744 -5.562 -6.717 1.00 0.00 O ATOM 462 CB ASN A 30 -5.587 -7.895 -7.855 1.00 0.00 C ATOM 463 CG ASN A 30 -5.816 -9.381 -8.120 1.00 0.00 C ATOM 464 OD1 ASN A 30 -6.205 -10.117 -7.234 1.00 0.00 O ATOM 465 ND2 ASN A 30 -5.588 -9.856 -9.310 1.00 0.00 N ATOM 0 H ASN A 30 -4.096 -9.109 -6.268 1.00 0.00 H new ATOM 0 HA ASN A 30 -3.644 -7.519 -8.778 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -6.066 -7.605 -6.920 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -6.045 -7.300 -8.646 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -5.736 -10.847 -9.500 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -5.262 -9.237 -10.052 1.00 0.00 H new ATOM 472 N ASP A 31 -2.585 -5.956 -6.824 1.00 0.00 N ATOM 473 CA ASP A 31 -2.271 -4.680 -6.119 1.00 0.00 C ATOM 474 C ASP A 31 -1.123 -3.950 -6.828 1.00 0.00 C ATOM 475 O ASP A 31 -0.020 -3.901 -6.322 1.00 0.00 O ATOM 476 CB ASP A 31 -1.851 -5.098 -4.710 1.00 0.00 C ATOM 477 CG ASP A 31 -1.803 -3.865 -3.806 1.00 0.00 C ATOM 478 OD1 ASP A 31 -2.587 -2.958 -4.032 1.00 0.00 O ATOM 479 OD2 ASP A 31 -0.982 -3.848 -2.904 1.00 0.00 O ATOM 0 H ASP A 31 -1.775 -6.517 -7.088 1.00 0.00 H new ATOM 0 HA ASP A 31 -3.120 -3.997 -6.105 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -2.555 -5.828 -4.311 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -0.874 -5.580 -4.738 1.00 0.00 H new ATOM 484 N PRO A 32 -1.420 -3.403 -7.982 1.00 0.00 N ATOM 485 CA PRO A 32 -0.399 -2.669 -8.762 1.00 0.00 C ATOM 486 C PRO A 32 0.094 -1.450 -7.979 1.00 0.00 C ATOM 487 O PRO A 32 -0.675 -0.749 -7.352 1.00 0.00 O ATOM 488 CB PRO A 32 -1.171 -2.243 -10.014 1.00 0.00 C ATOM 489 CG PRO A 32 -2.620 -2.754 -9.899 1.00 0.00 C ATOM 490 CD PRO A 32 -2.780 -3.489 -8.562 1.00 0.00 C ATOM 0 HA PRO A 32 0.490 -3.259 -8.987 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -1.160 -1.158 -10.114 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -0.697 -2.650 -10.907 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -3.320 -1.920 -9.958 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -2.851 -3.423 -10.728 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -3.524 -3.012 -7.924 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -3.096 -4.523 -8.703 1.00 0.00 H new ATOM 498 N ILE A 33 1.370 -1.192 -8.015 1.00 0.00 N ATOM 499 CA ILE A 33 1.913 -0.015 -7.273 1.00 0.00 C ATOM 500 C ILE A 33 3.005 0.671 -8.099 1.00 0.00 C ATOM 501 O ILE A 33 3.182 0.393 -9.268 1.00 0.00 O ATOM 502 CB ILE A 33 2.480 -0.573 -5.954 1.00 0.00 C ATOM 503 CG1 ILE A 33 3.901 -1.107 -6.167 1.00 0.00 C ATOM 504 CG2 ILE A 33 1.585 -1.705 -5.440 1.00 0.00 C ATOM 505 CD1 ILE A 33 3.898 -2.144 -7.290 1.00 0.00 C ATOM 0 H ILE A 33 2.062 -1.742 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 33 1.146 0.735 -7.081 1.00 0.00 H new ATOM 0 HB ILE A 33 2.508 0.233 -5.221 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.574 -0.287 -6.418 1.00 0.00 H new ATOM 0 HG13 ILE A 33 4.273 -1.555 -5.246 1.00 0.00 H new ATOM 0 HG21 ILE A 33 1.992 -2.095 -4.507 1.00 0.00 H new ATOM 0 HG22 ILE A 33 0.579 -1.323 -5.266 1.00 0.00 H new ATOM 0 HG23 ILE A 33 1.547 -2.503 -6.181 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.910 -2.522 -7.439 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.238 -2.969 -7.022 1.00 0.00 H new ATOM 0 HD13 ILE A 33 3.544 -1.682 -8.211 1.00 0.00 H new ATOM 517 N GLN A 34 3.737 1.564 -7.497 1.00 0.00 N ATOM 518 CA GLN A 34 4.818 2.272 -8.242 1.00 0.00 C ATOM 519 C GLN A 34 6.166 2.056 -7.552 1.00 0.00 C ATOM 520 O GLN A 34 6.230 1.666 -6.403 1.00 0.00 O ATOM 521 CB GLN A 34 4.424 3.749 -8.201 1.00 0.00 C ATOM 522 CG GLN A 34 3.054 3.931 -8.858 1.00 0.00 C ATOM 523 CD GLN A 34 2.656 5.408 -8.805 1.00 0.00 C ATOM 524 OE1 GLN A 34 3.214 6.173 -8.045 1.00 0.00 O ATOM 525 NE2 GLN A 34 1.707 5.843 -9.590 1.00 0.00 N ATOM 0 H GLN A 34 3.635 1.836 -6.519 1.00 0.00 H new ATOM 0 HA GLN A 34 4.924 1.906 -9.263 1.00 0.00 H new ATOM 0 HB2 GLN A 34 4.394 4.100 -7.169 1.00 0.00 H new ATOM 0 HB3 GLN A 34 5.171 4.350 -8.720 1.00 0.00 H new ATOM 0 HG2 GLN A 34 3.086 3.589 -9.892 1.00 0.00 H new ATOM 0 HG3 GLN A 34 2.309 3.324 -8.344 1.00 0.00 H new ATOM 0 HE21 GLN A 34 1.238 5.200 -10.228 1.00 0.00 H new ATOM 0 HE22 GLN A 34 1.435 6.826 -9.565 1.00 0.00 H new ATOM 534 N GLY A 35 7.245 2.306 -8.243 1.00 0.00 N ATOM 535 CA GLY A 35 8.586 2.113 -7.624 1.00 0.00 C ATOM 536 C GLY A 35 9.374 3.427 -7.686 1.00 0.00 C ATOM 537 O GLY A 35 8.922 4.389 -8.274 1.00 0.00 O ATOM 0 H GLY A 35 7.255 2.635 -9.208 1.00 0.00 H new ATOM 0 HA2 GLY A 35 8.477 1.791 -6.588 1.00 0.00 H new ATOM 0 HA3 GLY A 35 9.129 1.326 -8.147 1.00 0.00 H new ATOM 541 N PRO A 36 10.533 3.426 -7.072 1.00 0.00 N ATOM 542 CA PRO A 36 11.390 4.635 -7.058 1.00 0.00 C ATOM 543 C PRO A 36 11.804 5.020 -8.481 1.00 0.00 C ATOM 544 O PRO A 36 12.153 6.152 -8.751 1.00 0.00 O ATOM 545 CB PRO A 36 12.601 4.178 -6.238 1.00 0.00 C ATOM 546 CG PRO A 36 12.388 2.712 -5.813 1.00 0.00 C ATOM 547 CD PRO A 36 11.043 2.226 -6.367 1.00 0.00 C ATOM 0 HA PRO A 36 10.897 5.516 -6.646 1.00 0.00 H new ATOM 0 HB2 PRO A 36 13.513 4.271 -6.828 1.00 0.00 H new ATOM 0 HB3 PRO A 36 12.723 4.812 -5.360 1.00 0.00 H new ATOM 0 HG2 PRO A 36 13.199 2.088 -6.190 1.00 0.00 H new ATOM 0 HG3 PRO A 36 12.401 2.629 -4.726 1.00 0.00 H new ATOM 0 HD2 PRO A 36 11.165 1.380 -7.043 1.00 0.00 H new ATOM 0 HD3 PRO A 36 10.369 1.905 -5.573 1.00 0.00 H new ATOM 555 N ASP A 37 11.770 4.087 -9.393 1.00 0.00 N ATOM 556 CA ASP A 37 12.163 4.404 -10.795 1.00 0.00 C ATOM 557 C ASP A 37 11.164 5.376 -11.418 1.00 0.00 C ATOM 558 O ASP A 37 11.534 6.361 -12.025 1.00 0.00 O ATOM 559 CB ASP A 37 12.142 3.063 -11.529 1.00 0.00 C ATOM 560 CG ASP A 37 13.192 2.132 -10.921 1.00 0.00 C ATOM 561 OD1 ASP A 37 14.102 2.636 -10.283 1.00 0.00 O ATOM 562 OD2 ASP A 37 13.068 0.932 -11.103 1.00 0.00 O ATOM 0 H ASP A 37 11.488 3.121 -9.228 1.00 0.00 H new ATOM 0 HA ASP A 37 13.142 4.880 -10.850 1.00 0.00 H new ATOM 0 HB2 ASP A 37 11.153 2.611 -11.454 1.00 0.00 H new ATOM 0 HB3 ASP A 37 12.344 3.214 -12.589 1.00 0.00 H new ATOM 567 N GLY A 38 9.902 5.107 -11.267 1.00 0.00 N ATOM 568 CA GLY A 38 8.878 6.016 -11.845 1.00 0.00 C ATOM 569 C GLY A 38 7.874 5.202 -12.662 1.00 0.00 C ATOM 570 O GLY A 38 6.849 5.702 -13.080 1.00 0.00 O ATOM 0 H GLY A 38 9.534 4.297 -10.768 1.00 0.00 H new ATOM 0 HA2 GLY A 38 8.363 6.554 -11.049 1.00 0.00 H new ATOM 0 HA3 GLY A 38 9.356 6.764 -12.478 1.00 0.00 H new ATOM 574 N LYS A 39 8.160 3.951 -12.895 1.00 0.00 N ATOM 575 CA LYS A 39 7.222 3.107 -13.689 1.00 0.00 C ATOM 576 C LYS A 39 6.346 2.264 -12.758 1.00 0.00 C ATOM 577 O LYS A 39 6.661 2.070 -11.600 1.00 0.00 O ATOM 578 CB LYS A 39 8.119 2.202 -14.534 1.00 0.00 C ATOM 579 CG LYS A 39 9.238 3.030 -15.168 1.00 0.00 C ATOM 580 CD LYS A 39 10.272 2.091 -15.792 1.00 0.00 C ATOM 581 CE LYS A 39 11.354 2.917 -16.491 1.00 0.00 C ATOM 582 NZ LYS A 39 11.544 2.255 -17.813 1.00 0.00 N ATOM 0 H LYS A 39 9.002 3.476 -12.570 1.00 0.00 H new ATOM 0 HA LYS A 39 6.551 3.708 -14.302 1.00 0.00 H new ATOM 0 HB2 LYS A 39 8.544 1.414 -13.913 1.00 0.00 H new ATOM 0 HB3 LYS A 39 7.530 1.714 -15.311 1.00 0.00 H new ATOM 0 HG2 LYS A 39 8.828 3.694 -15.928 1.00 0.00 H new ATOM 0 HG3 LYS A 39 9.711 3.661 -14.415 1.00 0.00 H new ATOM 0 HD2 LYS A 39 10.720 1.462 -15.022 1.00 0.00 H new ATOM 0 HD3 LYS A 39 9.789 1.425 -16.507 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.044 3.955 -16.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.280 2.924 -15.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.272 2.763 -18.354 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.845 1.270 -17.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 10.648 2.269 -18.340 1.00 0.00 H new ATOM 596 N VAL A 40 5.254 1.756 -13.257 1.00 0.00 N ATOM 597 CA VAL A 40 4.362 0.920 -12.404 1.00 0.00 C ATOM 598 C VAL A 40 4.654 -0.563 -12.646 1.00 0.00 C ATOM 599 O VAL A 40 5.032 -0.961 -13.730 1.00 0.00 O ATOM 600 CB VAL A 40 2.942 1.268 -12.849 1.00 0.00 C ATOM 601 CG1 VAL A 40 1.935 0.564 -11.937 1.00 0.00 C ATOM 602 CG2 VAL A 40 2.737 2.782 -12.762 1.00 0.00 C ATOM 0 H VAL A 40 4.940 1.883 -14.219 1.00 0.00 H new ATOM 0 HA VAL A 40 4.508 1.108 -11.340 1.00 0.00 H new ATOM 0 HB VAL A 40 2.793 0.939 -13.878 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.922 0.812 -12.254 1.00 0.00 H new ATOM 0 HG12 VAL A 40 2.081 -0.514 -11.998 1.00 0.00 H new ATOM 0 HG13 VAL A 40 2.084 0.893 -10.908 1.00 0.00 H new ATOM 0 HG21 VAL A 40 1.724 3.031 -13.079 1.00 0.00 H new ATOM 0 HG22 VAL A 40 2.886 3.111 -11.734 1.00 0.00 H new ATOM 0 HG23 VAL A 40 3.454 3.284 -13.411 1.00 0.00 H new ATOM 612 N HIS A 41 4.485 -1.384 -11.648 1.00 0.00 N ATOM 613 CA HIS A 41 4.759 -2.839 -11.828 1.00 0.00 C ATOM 614 C HIS A 41 3.510 -3.660 -11.496 1.00 0.00 C ATOM 615 O HIS A 41 2.533 -3.147 -10.990 1.00 0.00 O ATOM 616 CB HIS A 41 5.890 -3.152 -10.849 1.00 0.00 C ATOM 617 CG HIS A 41 6.981 -2.128 -11.008 1.00 0.00 C ATOM 618 ND1 HIS A 41 7.295 -1.004 -10.285 1.00 0.00 N flip ATOM 619 CD2 HIS A 41 7.914 -2.195 -12.029 1.00 0.00 C flip ATOM 620 CE1 HIS A 41 8.406 -0.382 -10.846 1.00 0.00 C flip ATOM 621 NE2 HIS A 41 8.739 -1.139 -11.895 1.00 0.00 N flip ATOM 0 H HIS A 41 4.170 -1.113 -10.717 1.00 0.00 H new ATOM 0 HA HIS A 41 5.031 -3.085 -12.854 1.00 0.00 H new ATOM 0 HB2 HIS A 41 5.514 -3.144 -9.826 1.00 0.00 H new ATOM 0 HB3 HIS A 41 6.283 -4.151 -11.036 1.00 0.00 H new ATOM 0 HD2 HIS A 41 7.970 -2.956 -12.794 1.00 0.00 H new ATOM 0 HE1 HIS A 41 8.894 0.519 -10.506 1.00 0.00 H new ATOM 0 HE2 HIS A 41 9.522 -0.941 -12.518 1.00 0.00 H new ATOM 629 N GLY A 42 3.536 -4.933 -11.782 1.00 0.00 N ATOM 630 CA GLY A 42 2.353 -5.789 -11.488 1.00 0.00 C ATOM 631 C GLY A 42 2.031 -5.729 -9.993 1.00 0.00 C ATOM 632 O GLY A 42 0.982 -5.264 -9.594 1.00 0.00 O ATOM 0 H GLY A 42 4.327 -5.417 -12.207 1.00 0.00 H new ATOM 0 HA2 GLY A 42 1.494 -5.451 -12.068 1.00 0.00 H new ATOM 0 HA3 GLY A 42 2.554 -6.818 -11.785 1.00 0.00 H new ATOM 636 N ASN A 43 2.922 -6.198 -9.164 1.00 0.00 N ATOM 637 CA ASN A 43 2.661 -6.168 -7.696 1.00 0.00 C ATOM 638 C ASN A 43 3.885 -5.655 -6.941 1.00 0.00 C ATOM 639 O ASN A 43 4.763 -5.028 -7.502 1.00 0.00 O ATOM 640 CB ASN A 43 2.362 -7.618 -7.318 1.00 0.00 C ATOM 641 CG ASN A 43 3.430 -8.533 -7.916 1.00 0.00 C ATOM 642 OD1 ASN A 43 4.399 -8.067 -8.484 1.00 0.00 O ATOM 643 ND2 ASN A 43 3.292 -9.824 -7.814 1.00 0.00 N ATOM 0 H ASN A 43 3.818 -6.600 -9.438 1.00 0.00 H new ATOM 0 HA ASN A 43 1.838 -5.501 -7.440 1.00 0.00 H new ATOM 0 HB2 ASN A 43 2.342 -7.725 -6.233 1.00 0.00 H new ATOM 0 HB3 ASN A 43 1.376 -7.904 -7.685 1.00 0.00 H new ATOM 0 HD21 ASN A 43 3.997 -10.445 -8.211 1.00 0.00 H new ATOM 0 HD22 ASN A 43 2.479 -10.214 -7.337 1.00 0.00 H new ATOM 650 N THR A 44 3.941 -5.909 -5.666 1.00 0.00 N ATOM 651 CA THR A 44 5.095 -5.433 -4.851 1.00 0.00 C ATOM 652 C THR A 44 6.379 -6.164 -5.248 1.00 0.00 C ATOM 653 O THR A 44 7.397 -5.552 -5.502 1.00 0.00 O ATOM 654 CB THR A 44 4.719 -5.756 -3.406 1.00 0.00 C ATOM 655 OG1 THR A 44 3.499 -5.103 -3.080 1.00 0.00 O ATOM 656 CG2 THR A 44 5.825 -5.272 -2.468 1.00 0.00 C ATOM 0 H THR A 44 3.233 -6.429 -5.148 1.00 0.00 H new ATOM 0 HA THR A 44 5.286 -4.370 -4.998 1.00 0.00 H new ATOM 0 HB THR A 44 4.597 -6.833 -3.294 1.00 0.00 H new ATOM 0 HG1 THR A 44 3.255 -5.310 -2.154 1.00 0.00 H new ATOM 0 HG21 THR A 44 5.555 -5.503 -1.438 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.760 -5.773 -2.719 1.00 0.00 H new ATOM 0 HG23 THR A 44 5.949 -4.195 -2.577 1.00 0.00 H new ATOM 664 N CYS A 45 6.342 -7.464 -5.298 1.00 0.00 N ATOM 665 CA CYS A 45 7.573 -8.218 -5.674 1.00 0.00 C ATOM 666 C CYS A 45 8.162 -7.640 -6.963 1.00 0.00 C ATOM 667 O CYS A 45 9.363 -7.505 -7.100 1.00 0.00 O ATOM 668 CB CYS A 45 7.128 -9.673 -5.861 1.00 0.00 C ATOM 669 SG CYS A 45 6.290 -9.874 -7.455 1.00 0.00 S ATOM 0 H CYS A 45 5.521 -8.036 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 45 8.352 -8.148 -4.915 1.00 0.00 H new ATOM 0 HB2 CYS A 45 7.993 -10.334 -5.811 1.00 0.00 H new ATOM 0 HB3 CYS A 45 6.458 -9.963 -5.051 1.00 0.00 H new ATOM 674 N SER A 46 7.330 -7.278 -7.901 1.00 0.00 N ATOM 675 CA SER A 46 7.854 -6.690 -9.165 1.00 0.00 C ATOM 676 C SER A 46 8.689 -5.454 -8.833 1.00 0.00 C ATOM 677 O SER A 46 9.815 -5.316 -9.265 1.00 0.00 O ATOM 678 CB SER A 46 6.614 -6.304 -9.973 1.00 0.00 C ATOM 679 OG SER A 46 6.955 -6.211 -11.349 1.00 0.00 O ATOM 0 H SER A 46 6.315 -7.364 -7.847 1.00 0.00 H new ATOM 0 HA SER A 46 8.491 -7.379 -9.721 1.00 0.00 H new ATOM 0 HB2 SER A 46 5.829 -7.047 -9.831 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.219 -5.351 -9.620 1.00 0.00 H new ATOM 0 HG SER A 46 6.143 -6.285 -11.893 1.00 0.00 H new ATOM 685 N MET A 47 8.150 -4.564 -8.045 1.00 0.00 N ATOM 686 CA MET A 47 8.919 -3.349 -7.659 1.00 0.00 C ATOM 687 C MET A 47 10.164 -3.775 -6.886 1.00 0.00 C ATOM 688 O MET A 47 11.160 -3.080 -6.844 1.00 0.00 O ATOM 689 CB MET A 47 7.976 -2.553 -6.759 1.00 0.00 C ATOM 690 CG MET A 47 8.114 -1.060 -7.067 1.00 0.00 C ATOM 691 SD MET A 47 9.580 -0.406 -6.232 1.00 0.00 S ATOM 692 CE MET A 47 9.080 -0.815 -4.542 1.00 0.00 C ATOM 0 H MET A 47 7.211 -4.627 -7.652 1.00 0.00 H new ATOM 0 HA MET A 47 9.245 -2.760 -8.517 1.00 0.00 H new ATOM 0 HB2 MET A 47 6.947 -2.874 -6.918 1.00 0.00 H new ATOM 0 HB3 MET A 47 8.210 -2.742 -5.711 1.00 0.00 H new ATOM 0 HG2 MET A 47 8.196 -0.906 -8.143 1.00 0.00 H new ATOM 0 HG3 MET A 47 7.224 -0.525 -6.735 1.00 0.00 H new ATOM 0 HE1 MET A 47 9.434 -0.041 -3.861 1.00 0.00 H new ATOM 0 HE2 MET A 47 7.993 -0.876 -4.489 1.00 0.00 H new ATOM 0 HE3 MET A 47 9.512 -1.774 -4.257 1.00 0.00 H new ATOM 702 N CYS A 48 10.108 -4.925 -6.275 1.00 0.00 N ATOM 703 CA CYS A 48 11.276 -5.426 -5.502 1.00 0.00 C ATOM 704 C CYS A 48 12.307 -6.038 -6.454 1.00 0.00 C ATOM 705 O CYS A 48 13.490 -6.054 -6.180 1.00 0.00 O ATOM 706 CB CYS A 48 10.700 -6.495 -4.570 1.00 0.00 C ATOM 707 SG CYS A 48 9.822 -5.696 -3.204 1.00 0.00 S ATOM 0 H CYS A 48 9.297 -5.543 -6.279 1.00 0.00 H new ATOM 0 HA CYS A 48 11.783 -4.635 -4.949 1.00 0.00 H new ATOM 0 HB2 CYS A 48 10.021 -7.146 -5.121 1.00 0.00 H new ATOM 0 HB3 CYS A 48 11.501 -7.125 -4.183 1.00 0.00 H new ATOM 712 N GLU A 49 11.864 -6.535 -7.578 1.00 0.00 N ATOM 713 CA GLU A 49 12.814 -7.140 -8.554 1.00 0.00 C ATOM 714 C GLU A 49 13.718 -6.053 -9.134 1.00 0.00 C ATOM 715 O GLU A 49 14.927 -6.167 -9.124 1.00 0.00 O ATOM 716 CB GLU A 49 11.928 -7.747 -9.641 1.00 0.00 C ATOM 717 CG GLU A 49 11.256 -9.009 -9.104 1.00 0.00 C ATOM 718 CD GLU A 49 10.808 -9.887 -10.275 1.00 0.00 C ATOM 719 OE1 GLU A 49 11.421 -9.795 -11.326 1.00 0.00 O ATOM 720 OE2 GLU A 49 9.860 -10.635 -10.101 1.00 0.00 O ATOM 0 H GLU A 49 10.884 -6.548 -7.862 1.00 0.00 H new ATOM 0 HA GLU A 49 13.464 -7.888 -8.101 1.00 0.00 H new ATOM 0 HB2 GLU A 49 11.173 -7.026 -9.955 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.526 -7.986 -10.521 1.00 0.00 H new ATOM 0 HG2 GLU A 49 11.948 -9.559 -8.467 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.398 -8.742 -8.487 1.00 0.00 H new ATOM 727 N VAL A 50 13.142 -4.992 -9.629 1.00 0.00 N ATOM 728 CA VAL A 50 13.981 -3.897 -10.192 1.00 0.00 C ATOM 729 C VAL A 50 14.910 -3.378 -9.096 1.00 0.00 C ATOM 730 O VAL A 50 16.082 -3.141 -9.317 1.00 0.00 O ATOM 731 CB VAL A 50 12.998 -2.813 -10.635 1.00 0.00 C ATOM 732 CG1 VAL A 50 11.853 -3.460 -11.414 1.00 0.00 C ATOM 733 CG2 VAL A 50 12.437 -2.094 -9.407 1.00 0.00 C ATOM 0 H VAL A 50 12.135 -4.836 -9.668 1.00 0.00 H new ATOM 0 HA VAL A 50 14.601 -4.222 -11.027 1.00 0.00 H new ATOM 0 HB VAL A 50 13.513 -2.092 -11.270 1.00 0.00 H new ATOM 0 HG11 VAL A 50 11.149 -2.691 -11.732 1.00 0.00 H new ATOM 0 HG12 VAL A 50 12.252 -3.971 -12.290 1.00 0.00 H new ATOM 0 HG13 VAL A 50 11.340 -4.180 -10.776 1.00 0.00 H new ATOM 0 HG21 VAL A 50 11.737 -1.322 -9.726 1.00 0.00 H new ATOM 0 HG22 VAL A 50 11.920 -2.812 -8.770 1.00 0.00 H new ATOM 0 HG23 VAL A 50 13.254 -1.635 -8.849 1.00 0.00 H new ATOM 743 N PHE A 51 14.397 -3.227 -7.907 1.00 0.00 N ATOM 744 CA PHE A 51 15.251 -2.754 -6.784 1.00 0.00 C ATOM 745 C PHE A 51 16.319 -3.809 -6.504 1.00 0.00 C ATOM 746 O PHE A 51 17.441 -3.503 -6.151 1.00 0.00 O ATOM 747 CB PHE A 51 14.299 -2.607 -5.596 1.00 0.00 C ATOM 748 CG PHE A 51 15.088 -2.575 -4.309 1.00 0.00 C ATOM 749 CD1 PHE A 51 15.949 -1.505 -4.041 1.00 0.00 C ATOM 750 CD2 PHE A 51 14.954 -3.616 -3.382 1.00 0.00 C ATOM 751 CE1 PHE A 51 16.678 -1.476 -2.845 1.00 0.00 C ATOM 752 CE2 PHE A 51 15.683 -3.587 -2.187 1.00 0.00 C ATOM 753 CZ PHE A 51 16.544 -2.517 -1.918 1.00 0.00 C ATOM 0 H PHE A 51 13.423 -3.411 -7.665 1.00 0.00 H new ATOM 0 HA PHE A 51 15.762 -1.815 -6.995 1.00 0.00 H new ATOM 0 HB2 PHE A 51 13.714 -1.693 -5.698 1.00 0.00 H new ATOM 0 HB3 PHE A 51 13.592 -3.437 -5.580 1.00 0.00 H new ATOM 0 HD1 PHE A 51 16.051 -0.702 -4.756 1.00 0.00 H new ATOM 0 HD2 PHE A 51 14.288 -4.441 -3.589 1.00 0.00 H new ATOM 0 HE1 PHE A 51 17.343 -0.651 -2.638 1.00 0.00 H new ATOM 0 HE2 PHE A 51 15.581 -4.391 -1.473 1.00 0.00 H new ATOM 0 HZ PHE A 51 17.105 -2.494 -0.995 1.00 0.00 H new ATOM 763 N PHE A 52 15.974 -5.056 -6.681 1.00 0.00 N ATOM 764 CA PHE A 52 16.957 -6.148 -6.452 1.00 0.00 C ATOM 765 C PHE A 52 18.047 -6.081 -7.521 1.00 0.00 C ATOM 766 O PHE A 52 19.202 -6.359 -7.267 1.00 0.00 O ATOM 767 CB PHE A 52 16.142 -7.436 -6.591 1.00 0.00 C ATOM 768 CG PHE A 52 15.599 -7.833 -5.240 1.00 0.00 C ATOM 769 CD1 PHE A 52 16.424 -7.777 -4.110 1.00 0.00 C ATOM 770 CD2 PHE A 52 14.270 -8.255 -5.118 1.00 0.00 C ATOM 771 CE1 PHE A 52 15.918 -8.143 -2.859 1.00 0.00 C ATOM 772 CE2 PHE A 52 13.765 -8.620 -3.866 1.00 0.00 C ATOM 773 CZ PHE A 52 14.589 -8.564 -2.737 1.00 0.00 C ATOM 0 H PHE A 52 15.048 -5.364 -6.976 1.00 0.00 H new ATOM 0 HA PHE A 52 17.450 -6.083 -5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 52 15.323 -7.287 -7.295 1.00 0.00 H new ATOM 0 HB3 PHE A 52 16.767 -8.233 -6.993 1.00 0.00 H new ATOM 0 HD1 PHE A 52 17.449 -7.452 -4.205 1.00 0.00 H new ATOM 0 HD2 PHE A 52 13.635 -8.299 -5.990 1.00 0.00 H new ATOM 0 HE1 PHE A 52 16.553 -8.101 -1.986 1.00 0.00 H new ATOM 0 HE2 PHE A 52 12.739 -8.945 -3.771 1.00 0.00 H new ATOM 0 HZ PHE A 52 14.199 -8.846 -1.770 1.00 0.00 H new ATOM 783 N GLN A 53 17.683 -5.703 -8.716 1.00 0.00 N ATOM 784 CA GLN A 53 18.689 -5.600 -9.808 1.00 0.00 C ATOM 785 C GLN A 53 19.677 -4.475 -9.497 1.00 0.00 C ATOM 786 O GLN A 53 20.871 -4.610 -9.685 1.00 0.00 O ATOM 787 CB GLN A 53 17.872 -5.266 -11.055 1.00 0.00 C ATOM 788 CG GLN A 53 18.627 -5.728 -12.303 1.00 0.00 C ATOM 789 CD GLN A 53 18.123 -4.948 -13.520 1.00 0.00 C ATOM 790 OE1 GLN A 53 16.944 -4.389 -13.481 1.00 0.00 O flip ATOM 791 NE2 GLN A 53 18.809 -4.848 -14.517 1.00 0.00 N flip ATOM 0 H GLN A 53 16.729 -5.461 -8.983 1.00 0.00 H new ATOM 0 HA GLN A 53 19.271 -6.513 -9.933 1.00 0.00 H new ATOM 0 HB2 GLN A 53 16.898 -5.754 -11.005 1.00 0.00 H new ATOM 0 HB3 GLN A 53 17.689 -4.193 -11.105 1.00 0.00 H new ATOM 0 HG2 GLN A 53 19.698 -5.569 -12.173 1.00 0.00 H new ATOM 0 HG3 GLN A 53 18.479 -6.797 -12.456 1.00 0.00 H new ATOM 0 HE21 GLN A 53 19.730 -5.285 -14.548 1.00 0.00 H new ATOM 0 HE22 GLN A 53 18.464 -4.327 -15.323 1.00 0.00 H new ATOM 800 N ALA A 54 19.185 -3.366 -9.019 1.00 0.00 N ATOM 801 CA ALA A 54 20.087 -2.226 -8.691 1.00 0.00 C ATOM 802 C ALA A 54 21.044 -2.616 -7.561 1.00 0.00 C ATOM 803 O ALA A 54 22.206 -2.257 -7.566 1.00 0.00 O ATOM 804 CB ALA A 54 19.155 -1.101 -8.238 1.00 0.00 C ATOM 0 H ALA A 54 18.195 -3.199 -8.841 1.00 0.00 H new ATOM 0 HA ALA A 54 20.702 -1.929 -9.540 1.00 0.00 H new ATOM 0 HB1 ALA A 54 19.745 -0.222 -7.978 1.00 0.00 H new ATOM 0 HB2 ALA A 54 18.468 -0.850 -9.046 1.00 0.00 H new ATOM 0 HB3 ALA A 54 18.587 -1.428 -7.367 1.00 0.00 H new ATOM 810 N GLU A 55 20.568 -3.349 -6.592 1.00 0.00 N ATOM 811 CA GLU A 55 21.455 -3.759 -5.464 1.00 0.00 C ATOM 812 C GLU A 55 22.732 -4.400 -6.008 1.00 0.00 C ATOM 813 O GLU A 55 23.784 -4.321 -5.405 1.00 0.00 O ATOM 814 CB GLU A 55 20.638 -4.776 -4.666 1.00 0.00 C ATOM 815 CG GLU A 55 19.636 -4.038 -3.775 1.00 0.00 C ATOM 816 CD GLU A 55 18.920 -5.043 -2.870 1.00 0.00 C ATOM 817 OE1 GLU A 55 19.208 -6.223 -2.985 1.00 0.00 O ATOM 818 OE2 GLU A 55 18.097 -4.615 -2.078 1.00 0.00 O ATOM 0 H GLU A 55 19.606 -3.682 -6.532 1.00 0.00 H new ATOM 0 HA GLU A 55 21.761 -2.914 -4.848 1.00 0.00 H new ATOM 0 HB2 GLU A 55 20.112 -5.448 -5.344 1.00 0.00 H new ATOM 0 HB3 GLU A 55 21.299 -5.391 -4.056 1.00 0.00 H new ATOM 0 HG2 GLU A 55 20.152 -3.292 -3.171 1.00 0.00 H new ATOM 0 HG3 GLU A 55 18.911 -3.505 -4.390 1.00 0.00 H new ATOM 825 N GLU A 56 22.650 -5.031 -7.146 1.00 0.00 N ATOM 826 CA GLU A 56 23.863 -5.673 -7.731 1.00 0.00 C ATOM 827 C GLU A 56 24.835 -4.599 -8.223 1.00 0.00 C ATOM 828 O GLU A 56 26.020 -4.835 -8.359 1.00 0.00 O ATOM 829 CB GLU A 56 23.346 -6.508 -8.901 1.00 0.00 C ATOM 830 CG GLU A 56 24.530 -7.097 -9.669 1.00 0.00 C ATOM 831 CD GLU A 56 24.040 -7.680 -10.996 1.00 0.00 C ATOM 832 OE1 GLU A 56 22.883 -7.469 -11.321 1.00 0.00 O ATOM 833 OE2 GLU A 56 24.829 -8.327 -11.665 1.00 0.00 O ATOM 0 H GLU A 56 21.797 -5.131 -7.697 1.00 0.00 H new ATOM 0 HA GLU A 56 24.401 -6.284 -7.006 1.00 0.00 H new ATOM 0 HB2 GLU A 56 22.702 -7.308 -8.535 1.00 0.00 H new ATOM 0 HB3 GLU A 56 22.740 -5.890 -9.563 1.00 0.00 H new ATOM 0 HG2 GLU A 56 25.278 -6.325 -9.853 1.00 0.00 H new ATOM 0 HG3 GLU A 56 25.012 -7.873 -9.075 1.00 0.00 H new ATOM 840 N GLU A 57 24.344 -3.420 -8.491 1.00 0.00 N ATOM 841 CA GLU A 57 25.239 -2.329 -8.973 1.00 0.00 C ATOM 842 C GLU A 57 26.124 -1.831 -7.828 1.00 0.00 C ATOM 843 O GLU A 57 27.289 -1.541 -8.014 1.00 0.00 O ATOM 844 CB GLU A 57 24.296 -1.222 -9.443 1.00 0.00 C ATOM 845 CG GLU A 57 23.546 -1.686 -10.693 1.00 0.00 C ATOM 846 CD GLU A 57 24.531 -1.832 -11.855 1.00 0.00 C ATOM 847 OE1 GLU A 57 25.626 -1.306 -11.746 1.00 0.00 O ATOM 848 OE2 GLU A 57 24.172 -2.466 -12.833 1.00 0.00 O ATOM 0 H GLU A 57 23.361 -3.165 -8.397 1.00 0.00 H new ATOM 0 HA GLU A 57 25.905 -2.661 -9.769 1.00 0.00 H new ATOM 0 HB2 GLU A 57 23.588 -0.973 -8.653 1.00 0.00 H new ATOM 0 HB3 GLU A 57 24.862 -0.316 -9.661 1.00 0.00 H new ATOM 0 HG2 GLU A 57 23.051 -2.638 -10.500 1.00 0.00 H new ATOM 0 HG3 GLU A 57 22.767 -0.968 -10.950 1.00 0.00 H new ATOM 855 N GLU A 58 25.581 -1.731 -6.646 1.00 0.00 N ATOM 856 CA GLU A 58 26.395 -1.253 -5.491 1.00 0.00 C ATOM 857 C GLU A 58 27.592 -2.182 -5.270 1.00 0.00 C ATOM 858 O GLU A 58 28.670 -1.748 -4.915 1.00 0.00 O ATOM 859 CB GLU A 58 25.449 -1.303 -4.292 1.00 0.00 C ATOM 860 CG GLU A 58 24.321 -0.288 -4.490 1.00 0.00 C ATOM 861 CD GLU A 58 23.393 -0.312 -3.273 1.00 0.00 C ATOM 862 OE1 GLU A 58 23.571 -1.181 -2.434 1.00 0.00 O ATOM 863 OE2 GLU A 58 22.520 0.537 -3.202 1.00 0.00 O ATOM 0 H GLU A 58 24.611 -1.959 -6.429 1.00 0.00 H new ATOM 0 HA GLU A 58 26.795 -0.252 -5.652 1.00 0.00 H new ATOM 0 HB2 GLU A 58 25.036 -2.306 -4.183 1.00 0.00 H new ATOM 0 HB3 GLU A 58 25.995 -1.082 -3.375 1.00 0.00 H new ATOM 0 HG2 GLU A 58 24.736 0.711 -4.625 1.00 0.00 H new ATOM 0 HG3 GLU A 58 23.759 -0.524 -5.394 1.00 0.00 H new ATOM 870 N LYS A 59 27.410 -3.457 -5.478 1.00 0.00 N ATOM 871 CA LYS A 59 28.537 -4.413 -5.281 1.00 0.00 C ATOM 872 C LYS A 59 29.474 -4.382 -6.492 1.00 0.00 C ATOM 873 O LYS A 59 30.435 -5.121 -6.565 1.00 0.00 O ATOM 874 CB LYS A 59 27.875 -5.785 -5.152 1.00 0.00 C ATOM 875 CG LYS A 59 26.801 -5.731 -4.063 1.00 0.00 C ATOM 876 CD LYS A 59 27.459 -5.439 -2.713 1.00 0.00 C ATOM 877 CE LYS A 59 26.418 -5.570 -1.599 1.00 0.00 C ATOM 878 NZ LYS A 59 26.970 -6.607 -0.682 1.00 0.00 N ATOM 0 H LYS A 59 26.530 -3.878 -5.776 1.00 0.00 H new ATOM 0 HA LYS A 59 29.139 -4.167 -4.406 1.00 0.00 H new ATOM 0 HB2 LYS A 59 27.430 -6.077 -6.103 1.00 0.00 H new ATOM 0 HB3 LYS A 59 28.622 -6.539 -4.905 1.00 0.00 H new ATOM 0 HG2 LYS A 59 26.069 -4.959 -4.297 1.00 0.00 H new ATOM 0 HG3 LYS A 59 26.263 -6.678 -4.020 1.00 0.00 H new ATOM 0 HD2 LYS A 59 28.282 -6.133 -2.540 1.00 0.00 H new ATOM 0 HD3 LYS A 59 27.883 -4.435 -2.713 1.00 0.00 H new ATOM 0 HE2 LYS A 59 26.271 -4.622 -1.081 1.00 0.00 H new ATOM 0 HE3 LYS A 59 25.448 -5.869 -1.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 26.313 -6.755 0.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 27.093 -7.500 -1.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 27.890 -6.291 -0.314 1.00 0.00 H new ATOM 892 N LYS A 60 29.201 -3.531 -7.444 1.00 0.00 N ATOM 893 CA LYS A 60 30.076 -3.454 -8.649 1.00 0.00 C ATOM 894 C LYS A 60 31.525 -3.188 -8.234 1.00 0.00 C ATOM 895 O LYS A 60 32.452 -3.735 -8.796 1.00 0.00 O ATOM 896 CB LYS A 60 29.527 -2.281 -9.462 1.00 0.00 C ATOM 897 CG LYS A 60 29.796 -0.973 -8.714 1.00 0.00 C ATOM 898 CD LYS A 60 29.169 0.192 -9.483 1.00 0.00 C ATOM 899 CE LYS A 60 29.676 1.515 -8.905 1.00 0.00 C ATOM 900 NZ LYS A 60 28.741 1.826 -7.786 1.00 0.00 N ATOM 0 H LYS A 60 28.411 -2.886 -7.439 1.00 0.00 H new ATOM 0 HA LYS A 60 30.075 -4.382 -9.221 1.00 0.00 H new ATOM 0 HB2 LYS A 60 29.997 -2.254 -10.445 1.00 0.00 H new ATOM 0 HB3 LYS A 60 28.456 -2.406 -9.624 1.00 0.00 H new ATOM 0 HG2 LYS A 60 29.380 -1.025 -7.708 1.00 0.00 H new ATOM 0 HG3 LYS A 60 30.869 -0.817 -8.607 1.00 0.00 H new ATOM 0 HD2 LYS A 60 29.424 0.123 -10.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 28.082 0.145 -9.413 1.00 0.00 H new ATOM 0 HE2 LYS A 60 30.702 1.424 -8.549 1.00 0.00 H new ATOM 0 HE3 LYS A 60 29.669 2.304 -9.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 29.022 2.721 -7.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 27.773 1.913 -8.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 28.775 1.061 -7.083 1.00 0.00 H new ATOM 914 N LYS A 61 31.728 -2.351 -7.253 1.00 0.00 N ATOM 915 CA LYS A 61 33.117 -2.051 -6.803 1.00 0.00 C ATOM 916 C LYS A 61 33.830 -3.343 -6.394 1.00 0.00 C ATOM 917 O LYS A 61 35.021 -3.492 -6.581 1.00 0.00 O ATOM 918 CB LYS A 61 32.952 -1.123 -5.599 1.00 0.00 C ATOM 919 CG LYS A 61 32.299 0.186 -6.049 1.00 0.00 C ATOM 920 CD LYS A 61 32.303 1.183 -4.890 1.00 0.00 C ATOM 921 CE LYS A 61 31.529 2.438 -5.294 1.00 0.00 C ATOM 922 NZ LYS A 61 30.800 2.853 -4.062 1.00 0.00 N ATOM 0 H LYS A 61 30.992 -1.862 -6.744 1.00 0.00 H new ATOM 0 HA LYS A 61 33.717 -1.593 -7.589 1.00 0.00 H new ATOM 0 HB2 LYS A 61 32.339 -1.604 -4.837 1.00 0.00 H new ATOM 0 HB3 LYS A 61 33.923 -0.921 -5.147 1.00 0.00 H new ATOM 0 HG2 LYS A 61 32.839 0.600 -6.901 1.00 0.00 H new ATOM 0 HG3 LYS A 61 31.277 0.000 -6.379 1.00 0.00 H new ATOM 0 HD2 LYS A 61 31.850 0.732 -4.007 1.00 0.00 H new ATOM 0 HD3 LYS A 61 33.327 1.444 -4.625 1.00 0.00 H new ATOM 0 HE2 LYS A 61 32.202 3.223 -5.638 1.00 0.00 H new ATOM 0 HE3 LYS A 61 30.838 2.230 -6.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 30.244 3.710 -4.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 30.162 2.088 -3.762 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 31.484 3.051 -3.304 1.00 0.00 H new ATOM 936 N LYS A 62 33.110 -4.278 -5.836 1.00 0.00 N ATOM 937 CA LYS A 62 33.748 -5.558 -5.414 1.00 0.00 C ATOM 938 C LYS A 62 34.906 -5.281 -4.452 1.00 0.00 C ATOM 939 O LYS A 62 35.786 -6.099 -4.273 1.00 0.00 O ATOM 940 CB LYS A 62 34.264 -6.187 -6.709 1.00 0.00 C ATOM 941 CG LYS A 62 34.559 -7.670 -6.471 1.00 0.00 C ATOM 942 CD LYS A 62 35.175 -8.275 -7.735 1.00 0.00 C ATOM 943 CE LYS A 62 35.642 -9.702 -7.439 1.00 0.00 C ATOM 944 NZ LYS A 62 35.539 -10.415 -8.743 1.00 0.00 N ATOM 0 H LYS A 62 32.109 -4.211 -5.654 1.00 0.00 H new ATOM 0 HA LYS A 62 33.052 -6.214 -4.890 1.00 0.00 H new ATOM 0 HB2 LYS A 62 33.524 -6.075 -7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 62 35.167 -5.674 -7.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 35.242 -7.786 -5.629 1.00 0.00 H new ATOM 0 HG3 LYS A 62 33.641 -8.198 -6.212 1.00 0.00 H new ATOM 0 HD2 LYS A 62 34.443 -8.280 -8.543 1.00 0.00 H new ATOM 0 HD3 LYS A 62 36.016 -7.667 -8.070 1.00 0.00 H new ATOM 0 HE2 LYS A 62 36.665 -9.713 -7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 62 35.017 -10.173 -6.680 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 35.842 -11.403 -8.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 34.553 -10.393 -9.074 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 36.149 -9.948 -9.443 1.00 0.00 H new ATOM 958 N GLU A 63 34.912 -4.132 -3.832 1.00 0.00 N ATOM 959 CA GLU A 63 36.014 -3.805 -2.882 1.00 0.00 C ATOM 960 C GLU A 63 36.003 -4.782 -1.704 1.00 0.00 C ATOM 961 O GLU A 63 36.978 -4.921 -0.991 1.00 0.00 O ATOM 962 CB GLU A 63 35.714 -2.384 -2.403 1.00 0.00 C ATOM 963 CG GLU A 63 36.111 -1.384 -3.491 1.00 0.00 C ATOM 964 CD GLU A 63 35.792 0.036 -3.019 1.00 0.00 C ATOM 965 OE1 GLU A 63 35.262 0.172 -1.929 1.00 0.00 O ATOM 966 OE2 GLU A 63 36.085 0.963 -3.756 1.00 0.00 O ATOM 0 H GLU A 63 34.203 -3.407 -3.942 1.00 0.00 H new ATOM 0 HA GLU A 63 36.997 -3.880 -3.347 1.00 0.00 H new ATOM 0 HB2 GLU A 63 34.654 -2.283 -2.171 1.00 0.00 H new ATOM 0 HB3 GLU A 63 36.262 -2.175 -1.485 1.00 0.00 H new ATOM 0 HG2 GLU A 63 37.174 -1.475 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 63 35.573 -1.602 -4.414 1.00 0.00 H new ATOM 973 N GLY A 64 34.909 -5.461 -1.494 1.00 0.00 N ATOM 974 CA GLY A 64 34.838 -6.429 -0.364 1.00 0.00 C ATOM 975 C GLY A 64 34.926 -7.856 -0.907 1.00 0.00 C ATOM 976 O GLY A 64 35.128 -8.070 -2.086 1.00 0.00 O ATOM 0 H GLY A 64 34.061 -5.387 -2.056 1.00 0.00 H new ATOM 0 HA2 GLY A 64 35.651 -6.245 0.338 1.00 0.00 H new ATOM 0 HA3 GLY A 64 33.906 -6.295 0.186 1.00 0.00 H new ATOM 980 N GLU A 65 34.778 -8.836 -0.057 1.00 0.00 N ATOM 981 CA GLU A 65 34.854 -10.249 -0.527 1.00 0.00 C ATOM 982 C GLU A 65 33.477 -10.911 -0.436 1.00 0.00 C ATOM 983 O GLU A 65 32.732 -10.693 0.499 1.00 0.00 O ATOM 984 CB GLU A 65 35.840 -10.929 0.423 1.00 0.00 C ATOM 985 CG GLU A 65 37.197 -10.228 0.336 1.00 0.00 C ATOM 986 CD GLU A 65 38.229 -11.012 1.151 1.00 0.00 C ATOM 987 OE1 GLU A 65 37.827 -11.913 1.867 1.00 0.00 O ATOM 988 OE2 GLU A 65 39.402 -10.697 1.043 1.00 0.00 O ATOM 0 H GLU A 65 34.608 -8.719 0.942 1.00 0.00 H new ATOM 0 HA GLU A 65 35.173 -10.322 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 65 35.463 -10.890 1.445 1.00 0.00 H new ATOM 0 HB3 GLU A 65 35.945 -11.982 0.162 1.00 0.00 H new ATOM 0 HG2 GLU A 65 37.516 -10.158 -0.704 1.00 0.00 H new ATOM 0 HG3 GLU A 65 37.117 -9.209 0.714 1.00 0.00 H new ATOM 995 N SER A 66 33.132 -11.720 -1.401 1.00 0.00 N ATOM 996 CA SER A 66 31.803 -12.395 -1.370 1.00 0.00 C ATOM 997 C SER A 66 31.979 -13.900 -1.151 1.00 0.00 C ATOM 998 O SER A 66 32.974 -14.480 -1.538 1.00 0.00 O ATOM 999 CB SER A 66 31.187 -12.122 -2.743 1.00 0.00 C ATOM 1000 OG SER A 66 31.972 -12.747 -3.747 1.00 0.00 O ATOM 0 H SER A 66 33.713 -11.943 -2.209 1.00 0.00 H new ATOM 0 HA SER A 66 31.173 -12.028 -0.560 1.00 0.00 H new ATOM 0 HB2 SER A 66 30.165 -12.501 -2.777 1.00 0.00 H new ATOM 0 HB3 SER A 66 31.135 -11.048 -2.923 1.00 0.00 H new ATOM 0 HG SER A 66 31.576 -12.574 -4.627 1.00 0.00 H new ATOM 1006 N ARG A 67 31.021 -14.535 -0.533 1.00 0.00 N ATOM 1007 CA ARG A 67 31.135 -16.002 -0.289 1.00 0.00 C ATOM 1008 C ARG A 67 31.328 -16.744 -1.614 1.00 0.00 C ATOM 1009 O ARG A 67 32.060 -17.710 -1.695 1.00 0.00 O ATOM 1010 CB ARG A 67 29.809 -16.400 0.360 1.00 0.00 C ATOM 1011 CG ARG A 67 29.894 -17.848 0.845 1.00 0.00 C ATOM 1012 CD ARG A 67 28.569 -18.244 1.501 1.00 0.00 C ATOM 1013 NE ARG A 67 28.490 -17.414 2.736 1.00 0.00 N ATOM 1014 CZ ARG A 67 27.850 -17.859 3.782 1.00 0.00 C ATOM 1015 NH1 ARG A 67 27.953 -19.114 4.125 1.00 0.00 N ATOM 1016 NH2 ARG A 67 27.105 -17.049 4.484 1.00 0.00 N ATOM 0 H ARG A 67 30.165 -14.102 -0.187 1.00 0.00 H new ATOM 0 HA ARG A 67 31.988 -16.251 0.342 1.00 0.00 H new ATOM 0 HB2 ARG A 67 29.588 -15.737 1.197 1.00 0.00 H new ATOM 0 HB3 ARG A 67 28.994 -16.292 -0.356 1.00 0.00 H new ATOM 0 HG2 ARG A 67 30.110 -18.511 0.008 1.00 0.00 H new ATOM 0 HG3 ARG A 67 30.712 -17.957 1.557 1.00 0.00 H new ATOM 0 HD2 ARG A 67 27.726 -18.048 0.839 1.00 0.00 H new ATOM 0 HD3 ARG A 67 28.548 -19.308 1.738 1.00 0.00 H new ATOM 0 HE ARG A 67 28.937 -16.497 2.764 1.00 0.00 H new ATOM 0 HH11 ARG A 67 28.534 -19.747 3.575 1.00 0.00 H new ATOM 0 HH12 ARG A 67 27.453 -19.462 4.943 1.00 0.00 H new ATOM 0 HH21 ARG A 67 27.023 -16.069 4.215 1.00 0.00 H new ATOM 0 HH22 ARG A 67 26.604 -17.396 5.302 1.00 0.00 H new ATOM 1030 N ASN A 68 30.676 -16.300 -2.655 1.00 0.00 N ATOM 1031 CA ASN A 68 30.822 -16.981 -3.973 1.00 0.00 C ATOM 1032 C ASN A 68 32.055 -16.449 -4.708 1.00 0.00 C ATOM 1033 O ASN A 68 32.991 -16.046 -4.039 1.00 0.00 O ATOM 1034 CB ASN A 68 29.547 -16.634 -4.741 1.00 0.00 C ATOM 1035 CG ASN A 68 28.326 -17.073 -3.930 1.00 0.00 C ATOM 1036 OD1 ASN A 68 27.371 -16.334 -3.800 1.00 0.00 O ATOM 1037 ND2 ASN A 68 28.319 -18.255 -3.376 1.00 0.00 N ATOM 1038 OXT ASN A 68 32.040 -16.453 -5.929 1.00 0.00 O ATOM 0 H ASN A 68 30.049 -15.496 -2.649 1.00 0.00 H new ATOM 0 HA ASN A 68 30.954 -18.058 -3.870 1.00 0.00 H new ATOM 0 HB2 ASN A 68 29.504 -15.561 -4.930 1.00 0.00 H new ATOM 0 HB3 ASN A 68 29.549 -17.129 -5.712 1.00 0.00 H new ATOM 0 HD21 ASN A 68 27.511 -18.559 -2.833 1.00 0.00 H new ATOM 0 HD22 ASN A 68 29.122 -18.875 -3.486 1.00 0.00 H new TER 1045 ASN A 68