USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 463 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 56 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 60 SER OG : rot 143:sc= 0.59 USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 TYR OH : rot -67:sc= -0.47 USER MOD Single : A 34 LYS NZ :NH3+ -161:sc= 0.921 (180deg=0.643) USER MOD Single : A 36 HIS : no HD1:sc= -2.35! C(o=-2.3!,f=-4.3!) USER MOD Single : A 39 LYS NZ :NH3+ 153:sc= -0.0707 (180deg=-0.627) USER MOD Single : A 40 ASN :FLIP amide:sc= -4.03! C(o=-5.9!,f=-4!) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.00547 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 84:sc= 0.0676 USER MOD Single : A 61 ASN : amide:sc= -0.052 K(o=-0.052,f=-1.5) USER MOD Single : A 64 LYS NZ :NH3+ -163:sc= -0.0195 (180deg=-0.204) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 68 TYR OH : rot 80:sc= -0.604 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.856 -7.228 5.214 1.00 0.00 N ATOM 67 CA ASP A 8 -2.913 -6.331 4.760 1.00 0.00 C ATOM 68 C ASP A 8 -2.336 -5.189 3.929 1.00 0.00 C ATOM 69 O ASP A 8 -1.148 -4.880 4.019 1.00 0.00 O ATOM 70 CB ASP A 8 -3.683 -5.769 5.956 1.00 0.00 C ATOM 71 CG ASP A 8 -4.954 -5.053 5.542 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.863 -3.879 5.125 1.00 0.00 O ATOM 73 OD2 ASP A 8 -6.038 -5.666 5.635 1.00 0.00 O ATOM 0 HA ASP A 8 -3.597 -6.903 4.134 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.933 -6.582 6.638 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -3.043 -5.078 6.505 1.00 0.00 H new ATOM 78 N TYR A 9 -3.185 -4.566 3.119 1.00 0.00 N ATOM 79 CA TYR A 9 -2.760 -3.460 2.270 1.00 0.00 C ATOM 80 C TYR A 9 -2.607 -2.177 3.081 1.00 0.00 C ATOM 81 O TYR A 9 -1.594 -1.484 2.983 1.00 0.00 O ATOM 82 CB TYR A 9 -3.764 -3.244 1.137 1.00 0.00 C ATOM 83 CG TYR A 9 -3.805 -4.378 0.138 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.634 -4.894 -0.405 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.013 -4.934 -0.263 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.666 -5.930 -1.318 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.054 -5.972 -1.175 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.878 -6.466 -1.699 1.00 0.00 C ATOM 89 OH TYR A 9 -3.915 -7.498 -2.608 1.00 0.00 O ATOM 0 H TYR A 9 -4.172 -4.809 3.033 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.790 -3.716 1.843 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.758 -3.112 1.564 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.516 -2.320 0.615 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.683 -4.478 -0.108 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.936 -4.549 0.145 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.747 -6.318 -1.731 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.002 -6.394 -1.475 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.846 -7.760 -2.767 1.00 0.00 H new ATOM 99 N TYR A 10 -3.620 -1.867 3.882 1.00 0.00 N ATOM 100 CA TYR A 10 -3.601 -0.667 4.710 1.00 0.00 C ATOM 101 C TYR A 10 -2.322 -0.598 5.539 1.00 0.00 C ATOM 102 O TYR A 10 -1.726 0.468 5.691 1.00 0.00 O ATOM 103 CB TYR A 10 -4.821 -0.638 5.631 1.00 0.00 C ATOM 104 CG TYR A 10 -6.138 -0.591 4.890 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.528 0.549 4.198 1.00 0.00 C ATOM 106 CD2 TYR A 10 -6.993 -1.686 4.882 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.731 0.597 3.520 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.197 -1.648 4.206 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.562 -0.504 3.527 1.00 0.00 C ATOM 110 OH TYR A 10 -9.760 -0.461 2.852 1.00 0.00 O ATOM 0 H TYR A 10 -4.465 -2.430 3.976 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.632 0.200 4.050 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.805 -1.521 6.270 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.751 0.231 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.880 1.413 4.190 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -6.711 -2.583 5.414 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -8.019 1.491 2.988 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -8.849 -2.509 4.209 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.225 -1.318 2.956 1.00 0.00 H new ATOM 120 N GLU A 11 -1.906 -1.743 6.071 1.00 0.00 N ATOM 121 CA GLU A 11 -0.698 -1.812 6.884 1.00 0.00 C ATOM 122 C GLU A 11 0.534 -1.444 6.062 1.00 0.00 C ATOM 123 O GLU A 11 1.253 -0.500 6.390 1.00 0.00 O ATOM 124 CB GLU A 11 -0.532 -3.215 7.472 1.00 0.00 C ATOM 125 CG GLU A 11 -1.202 -3.392 8.824 1.00 0.00 C ATOM 126 CD GLU A 11 -0.537 -2.577 9.916 1.00 0.00 C ATOM 127 OE1 GLU A 11 0.691 -2.365 9.834 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.245 -2.151 10.852 1.00 0.00 O ATOM 0 H GLU A 11 -2.387 -2.635 5.954 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.798 -1.094 7.698 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.944 -3.943 6.774 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.531 -3.435 7.571 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.250 -3.102 8.747 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.182 -4.446 9.100 1.00 0.00 H new ATOM 135 N ILE A 12 0.770 -2.197 4.993 1.00 0.00 N ATOM 136 CA ILE A 12 1.914 -1.951 4.124 1.00 0.00 C ATOM 137 C ILE A 12 2.154 -0.456 3.942 1.00 0.00 C ATOM 138 O ILE A 12 3.238 0.051 4.238 1.00 0.00 O ATOM 139 CB ILE A 12 1.720 -2.599 2.740 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.627 -4.121 2.875 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.860 -2.213 1.810 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.096 -4.806 1.635 1.00 0.00 C ATOM 0 H ILE A 12 0.185 -2.982 4.708 1.00 0.00 H new ATOM 0 HA ILE A 12 2.781 -2.401 4.609 1.00 0.00 H new ATOM 0 HB ILE A 12 0.787 -2.233 2.311 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.616 -4.518 3.105 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.982 -4.364 3.719 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.709 -2.679 0.836 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.884 -1.129 1.694 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.805 -2.554 2.232 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.057 -5.882 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.094 -4.437 1.416 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.753 -4.593 0.792 1.00 0.00 H new ATOM 154 N LEU A 13 1.137 0.247 3.457 1.00 0.00 N ATOM 155 CA LEU A 13 1.236 1.686 3.237 1.00 0.00 C ATOM 156 C LEU A 13 1.353 2.432 4.563 1.00 0.00 C ATOM 157 O LEU A 13 2.192 3.318 4.716 1.00 0.00 O ATOM 158 CB LEU A 13 0.017 2.188 2.462 1.00 0.00 C ATOM 159 CG LEU A 13 -0.319 1.433 1.176 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.777 1.643 0.798 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.596 1.875 0.043 1.00 0.00 C ATOM 0 H LEU A 13 0.234 -0.156 3.208 1.00 0.00 H new ATOM 0 HA LEU A 13 2.135 1.879 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.850 2.146 3.121 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.177 3.237 2.212 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.160 0.369 1.351 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.997 1.098 -0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.417 1.276 1.600 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.963 2.706 0.642 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.342 1.327 -0.864 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.470 2.944 -0.131 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.633 1.671 0.312 1.00 0.00 H new ATOM 173 N GLY A 14 0.506 2.065 5.520 1.00 0.00 N ATOM 174 CA GLY A 14 0.532 2.708 6.820 1.00 0.00 C ATOM 175 C GLY A 14 -0.671 3.600 7.051 1.00 0.00 C ATOM 176 O GLY A 14 -0.526 4.779 7.375 1.00 0.00 O ATOM 0 H GLY A 14 -0.198 1.334 5.418 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.570 1.946 7.598 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.442 3.301 6.910 1.00 0.00 H new ATOM 180 N VAL A 15 -1.864 3.038 6.881 1.00 0.00 N ATOM 181 CA VAL A 15 -3.098 3.791 7.072 1.00 0.00 C ATOM 182 C VAL A 15 -4.186 2.916 7.683 1.00 0.00 C ATOM 183 O VAL A 15 -4.003 1.712 7.860 1.00 0.00 O ATOM 184 CB VAL A 15 -3.611 4.374 5.742 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.606 5.362 5.169 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.901 3.260 4.748 1.00 0.00 C ATOM 0 H VAL A 15 -2.002 2.064 6.611 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.867 4.609 7.754 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.541 4.909 5.935 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.986 5.763 4.229 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.453 6.177 5.876 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.658 4.854 4.990 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.262 3.691 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.988 2.695 4.558 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.660 2.595 5.159 1.00 0.00 H new ATOM 196 N SER A 16 -5.320 3.530 8.005 1.00 0.00 N ATOM 197 CA SER A 16 -6.438 2.808 8.600 1.00 0.00 C ATOM 198 C SER A 16 -7.313 2.175 7.522 1.00 0.00 C ATOM 199 O SER A 16 -7.109 2.403 6.329 1.00 0.00 O ATOM 200 CB SER A 16 -7.278 3.749 9.466 1.00 0.00 C ATOM 201 OG SER A 16 -6.681 3.942 10.737 1.00 0.00 O ATOM 0 H SER A 16 -5.489 4.526 7.864 1.00 0.00 H new ATOM 0 HA SER A 16 -6.032 2.014 9.227 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.388 4.710 8.963 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.280 3.337 9.590 1.00 0.00 H new ATOM 0 HG SER A 16 -7.236 4.548 11.270 1.00 0.00 H new ATOM 207 N ARG A 17 -8.287 1.379 7.950 1.00 0.00 N ATOM 208 CA ARG A 17 -9.192 0.712 7.023 1.00 0.00 C ATOM 209 C ARG A 17 -10.321 1.646 6.597 1.00 0.00 C ATOM 210 O ARG A 17 -11.275 1.863 7.343 1.00 0.00 O ATOM 211 CB ARG A 17 -9.774 -0.550 7.663 1.00 0.00 C ATOM 212 CG ARG A 17 -8.743 -1.640 7.907 1.00 0.00 C ATOM 213 CD ARG A 17 -8.076 -1.482 9.264 1.00 0.00 C ATOM 214 NE ARG A 17 -7.092 -2.531 9.516 1.00 0.00 N ATOM 215 CZ ARG A 17 -6.085 -2.403 10.373 1.00 0.00 C ATOM 216 NH1 ARG A 17 -5.930 -1.278 11.057 1.00 0.00 N ATOM 217 NH2 ARG A 17 -5.230 -3.403 10.547 1.00 0.00 N ATOM 0 H ARG A 17 -8.469 1.180 8.934 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.622 0.432 6.137 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.241 -0.284 8.612 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.561 -0.944 7.020 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.224 -2.617 7.848 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.987 -1.609 7.123 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.589 -0.508 9.317 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.835 -1.502 10.046 1.00 0.00 H new ATOM 0 HE ARG A 17 -7.183 -3.410 9.006 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.585 -0.507 10.926 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.156 -1.183 11.714 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -5.346 -4.270 10.023 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -4.457 -3.304 11.205 1.00 0.00 H new ATOM 231 N GLY A 18 -10.204 2.197 5.393 1.00 0.00 N ATOM 232 CA GLY A 18 -11.221 3.102 4.889 1.00 0.00 C ATOM 233 C GLY A 18 -10.661 4.468 4.544 1.00 0.00 C ATOM 234 O GLY A 18 -11.411 5.429 4.376 1.00 0.00 O ATOM 0 H GLY A 18 -9.423 2.033 4.757 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.683 2.667 4.002 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.007 3.213 5.636 1.00 0.00 H new ATOM 238 N ALA A 19 -9.339 4.555 4.439 1.00 0.00 N ATOM 239 CA ALA A 19 -8.680 5.813 4.111 1.00 0.00 C ATOM 240 C ALA A 19 -8.978 6.231 2.675 1.00 0.00 C ATOM 241 O ALA A 19 -9.146 5.387 1.795 1.00 0.00 O ATOM 242 CB ALA A 19 -7.179 5.695 4.328 1.00 0.00 C ATOM 0 H ALA A 19 -8.703 3.769 4.576 1.00 0.00 H new ATOM 0 HA ALA A 19 -9.072 6.584 4.775 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.700 6.642 4.079 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.980 5.451 5.372 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.780 4.907 3.689 1.00 0.00 H new ATOM 248 N SER A 20 -9.041 7.539 2.445 1.00 0.00 N ATOM 249 CA SER A 20 -9.323 8.068 1.116 1.00 0.00 C ATOM 250 C SER A 20 -8.066 8.062 0.251 1.00 0.00 C ATOM 251 O SER A 20 -6.963 7.825 0.742 1.00 0.00 O ATOM 252 CB SER A 20 -9.879 9.490 1.217 1.00 0.00 C ATOM 253 OG SER A 20 -8.900 10.385 1.716 1.00 0.00 O ATOM 0 H SER A 20 -8.901 8.251 3.162 1.00 0.00 H new ATOM 0 HA SER A 20 -10.069 7.426 0.647 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.215 9.823 0.235 1.00 0.00 H new ATOM 0 HB3 SER A 20 -10.751 9.498 1.871 1.00 0.00 H new ATOM 0 HG SER A 20 -9.279 11.287 1.770 1.00 0.00 H new ATOM 259 N ASP A 21 -8.243 8.323 -1.039 1.00 0.00 N ATOM 260 CA ASP A 21 -7.124 8.349 -1.974 1.00 0.00 C ATOM 261 C ASP A 21 -6.037 9.305 -1.494 1.00 0.00 C ATOM 262 O ASP A 21 -4.909 8.892 -1.225 1.00 0.00 O ATOM 263 CB ASP A 21 -7.605 8.760 -3.367 1.00 0.00 C ATOM 264 CG ASP A 21 -8.712 9.795 -3.315 1.00 0.00 C ATOM 265 OD1 ASP A 21 -8.409 10.975 -3.042 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.881 9.424 -3.548 1.00 0.00 O ATOM 0 H ASP A 21 -9.150 8.520 -1.461 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.702 7.345 -2.026 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -6.765 9.159 -3.935 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.961 7.878 -3.900 1.00 0.00 H new ATOM 271 N GLU A 22 -6.384 10.584 -1.391 1.00 0.00 N ATOM 272 CA GLU A 22 -5.436 11.599 -0.946 1.00 0.00 C ATOM 273 C GLU A 22 -4.579 11.076 0.203 1.00 0.00 C ATOM 274 O GLU A 22 -3.357 11.220 0.196 1.00 0.00 O ATOM 275 CB GLU A 22 -6.177 12.864 -0.509 1.00 0.00 C ATOM 276 CG GLU A 22 -5.379 14.140 -0.720 1.00 0.00 C ATOM 277 CD GLU A 22 -5.818 15.261 0.202 1.00 0.00 C ATOM 278 OE1 GLU A 22 -6.146 14.974 1.372 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.833 16.426 -0.247 1.00 0.00 O ATOM 0 H GLU A 22 -7.314 10.942 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.782 11.841 -1.784 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.114 12.936 -1.062 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.436 12.777 0.546 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.321 13.934 -0.557 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -5.485 14.464 -1.755 1.00 0.00 H new ATOM 286 N ASP A 23 -5.230 10.468 1.189 1.00 0.00 N ATOM 287 CA ASP A 23 -4.529 9.922 2.346 1.00 0.00 C ATOM 288 C ASP A 23 -3.572 8.811 1.927 1.00 0.00 C ATOM 289 O ASP A 23 -2.364 8.899 2.155 1.00 0.00 O ATOM 290 CB ASP A 23 -5.531 9.389 3.371 1.00 0.00 C ATOM 291 CG ASP A 23 -5.966 10.451 4.362 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.085 11.065 4.999 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.188 10.669 4.499 1.00 0.00 O ATOM 0 H ASP A 23 -6.242 10.341 1.210 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.948 10.725 2.800 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.407 9.001 2.851 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.085 8.554 3.911 1.00 0.00 H new ATOM 298 N LEU A 24 -4.117 7.767 1.314 1.00 0.00 N ATOM 299 CA LEU A 24 -3.312 6.637 0.863 1.00 0.00 C ATOM 300 C LEU A 24 -2.083 7.116 0.096 1.00 0.00 C ATOM 301 O LEU A 24 -0.980 6.602 0.285 1.00 0.00 O ATOM 302 CB LEU A 24 -4.148 5.709 -0.019 1.00 0.00 C ATOM 303 CG LEU A 24 -5.430 5.161 0.608 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.437 4.793 -0.470 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.123 3.958 1.487 1.00 0.00 C ATOM 0 H LEU A 24 -5.114 7.679 1.117 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.977 6.087 1.743 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.414 6.248 -0.929 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.525 4.866 -0.318 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.867 5.940 1.233 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.343 4.405 -0.004 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.681 5.678 -1.057 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.010 4.032 -1.122 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.048 3.582 1.925 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.662 3.175 0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.439 4.254 2.283 1.00 0.00 H new ATOM 317 N LYS A 25 -2.281 8.105 -0.769 1.00 0.00 N ATOM 318 CA LYS A 25 -1.189 8.657 -1.562 1.00 0.00 C ATOM 319 C LYS A 25 -0.089 9.213 -0.663 1.00 0.00 C ATOM 320 O LYS A 25 1.028 8.696 -0.640 1.00 0.00 O ATOM 321 CB LYS A 25 -1.710 9.758 -2.488 1.00 0.00 C ATOM 322 CG LYS A 25 -0.786 10.060 -3.655 1.00 0.00 C ATOM 323 CD LYS A 25 -1.556 10.590 -4.853 1.00 0.00 C ATOM 324 CE LYS A 25 -1.923 12.056 -4.676 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.817 12.960 -5.096 1.00 0.00 N ATOM 0 H LYS A 25 -3.188 8.541 -0.939 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.769 7.852 -2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.686 9.464 -2.875 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.858 10.669 -1.908 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.039 10.792 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.248 9.155 -3.938 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.955 10.471 -5.755 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.463 10.001 -4.994 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.816 12.280 -5.260 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.169 12.245 -3.631 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.107 13.950 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 0.028 12.765 -4.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.599 12.798 -6.100 1.00 0.00 H new ATOM 339 N LYS A 26 -0.413 10.267 0.078 1.00 0.00 N ATOM 340 CA LYS A 26 0.545 10.891 0.981 1.00 0.00 C ATOM 341 C LYS A 26 1.365 9.837 1.718 1.00 0.00 C ATOM 342 O LYS A 26 2.594 9.833 1.651 1.00 0.00 O ATOM 343 CB LYS A 26 -0.180 11.785 1.989 1.00 0.00 C ATOM 344 CG LYS A 26 -0.830 13.007 1.362 1.00 0.00 C ATOM 345 CD LYS A 26 -1.535 13.860 2.403 1.00 0.00 C ATOM 346 CE LYS A 26 -2.625 14.716 1.777 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.059 15.855 1.002 1.00 0.00 N ATOM 0 H LYS A 26 -1.333 10.707 0.070 1.00 0.00 H new ATOM 0 HA LYS A 26 1.223 11.502 0.385 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.945 11.198 2.498 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.530 12.111 2.749 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.072 13.603 0.855 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.546 12.690 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.970 13.217 3.168 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.809 14.502 2.902 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.239 14.099 1.120 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.280 15.099 2.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.834 16.414 0.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.494 16.458 1.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.454 15.489 0.239 1.00 0.00 H new ATOM 361 N ALA A 27 0.676 8.943 2.421 1.00 0.00 N ATOM 362 CA ALA A 27 1.341 7.882 3.167 1.00 0.00 C ATOM 363 C ALA A 27 2.185 7.008 2.246 1.00 0.00 C ATOM 364 O ALA A 27 3.342 6.713 2.543 1.00 0.00 O ATOM 365 CB ALA A 27 0.315 7.036 3.907 1.00 0.00 C ATOM 0 H ALA A 27 -0.342 8.933 2.489 1.00 0.00 H new ATOM 0 HA ALA A 27 2.007 8.346 3.894 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.825 6.247 4.460 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.242 7.665 4.602 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.374 6.589 3.190 1.00 0.00 H new ATOM 371 N TYR A 28 1.598 6.597 1.127 1.00 0.00 N ATOM 372 CA TYR A 28 2.295 5.754 0.164 1.00 0.00 C ATOM 373 C TYR A 28 3.630 6.374 -0.237 1.00 0.00 C ATOM 374 O TYR A 28 4.677 5.731 -0.150 1.00 0.00 O ATOM 375 CB TYR A 28 1.427 5.537 -1.078 1.00 0.00 C ATOM 376 CG TYR A 28 2.123 4.763 -2.175 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.852 3.616 -1.888 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.050 5.180 -3.498 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.490 2.907 -2.888 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.684 4.476 -4.505 1.00 0.00 C ATOM 381 CZ TYR A 28 3.403 3.341 -4.194 1.00 0.00 C ATOM 382 OH TYR A 28 4.035 2.636 -5.193 1.00 0.00 O ATOM 0 H TYR A 28 0.641 6.834 0.865 1.00 0.00 H new ATOM 0 HA TYR A 28 2.489 4.791 0.636 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.520 5.006 -0.789 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.118 6.506 -1.469 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.921 3.273 -0.866 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.489 6.069 -3.744 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.054 2.018 -2.648 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.617 4.813 -5.529 1.00 0.00 H new ATOM 0 HH TYR A 28 5.006 2.706 -5.079 1.00 0.00 H new ATOM 392 N ARG A 29 3.584 7.627 -0.676 1.00 0.00 N ATOM 393 CA ARG A 29 4.789 8.336 -1.091 1.00 0.00 C ATOM 394 C ARG A 29 5.846 8.302 0.008 1.00 0.00 C ATOM 395 O ARG A 29 6.927 7.742 -0.173 1.00 0.00 O ATOM 396 CB ARG A 29 4.457 9.785 -1.449 1.00 0.00 C ATOM 397 CG ARG A 29 3.592 9.923 -2.691 1.00 0.00 C ATOM 398 CD ARG A 29 3.339 11.383 -3.035 1.00 0.00 C ATOM 399 NE ARG A 29 2.857 11.547 -4.404 1.00 0.00 N ATOM 400 CZ ARG A 29 3.657 11.606 -5.463 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.971 11.514 -5.311 1.00 0.00 N ATOM 402 NH2 ARG A 29 3.143 11.756 -6.677 1.00 0.00 N ATOM 0 H ARG A 29 2.726 8.173 -0.754 1.00 0.00 H new ATOM 0 HA ARG A 29 5.189 7.834 -1.972 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.945 10.250 -0.607 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.386 10.335 -1.601 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.079 9.429 -3.532 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.641 9.416 -2.531 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.608 11.797 -2.341 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.260 11.951 -2.904 1.00 0.00 H new ATOM 0 HE ARG A 29 1.851 11.620 -4.555 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.370 11.398 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.583 11.560 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG A 29 2.133 11.826 -6.798 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.758 11.801 -7.489 1.00 0.00 H new ATOM 416 N ARG A 30 5.526 8.905 1.149 1.00 0.00 N ATOM 417 CA ARG A 30 6.448 8.945 2.277 1.00 0.00 C ATOM 418 C ARG A 30 7.274 7.664 2.350 1.00 0.00 C ATOM 419 O ARG A 30 8.459 7.695 2.684 1.00 0.00 O ATOM 420 CB ARG A 30 5.680 9.144 3.585 1.00 0.00 C ATOM 421 CG ARG A 30 6.538 8.976 4.827 1.00 0.00 C ATOM 422 CD ARG A 30 6.026 9.828 5.978 1.00 0.00 C ATOM 423 NE ARG A 30 7.046 10.038 7.001 1.00 0.00 N ATOM 424 CZ ARG A 30 7.047 11.070 7.838 1.00 0.00 C ATOM 425 NH1 ARG A 30 6.086 11.981 7.773 1.00 0.00 N ATOM 426 NH2 ARG A 30 8.011 11.191 8.742 1.00 0.00 N ATOM 0 H ARG A 30 4.635 9.372 1.316 1.00 0.00 H new ATOM 0 HA ARG A 30 7.125 9.786 2.130 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.240 10.141 3.590 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.856 8.432 3.624 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.547 7.928 5.125 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.568 9.251 4.599 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.694 10.793 5.595 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.157 9.347 6.426 1.00 0.00 H new ATOM 0 HE ARG A 30 7.800 9.355 7.078 1.00 0.00 H new ATOM 0 HH11 ARG A 30 5.344 11.891 7.079 1.00 0.00 H new ATOM 0 HH12 ARG A 30 6.089 12.772 8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.752 10.492 8.795 1.00 0.00 H new ATOM 0 HH22 ARG A 30 8.011 11.983 9.384 1.00 0.00 H new ATOM 440 N LEU A 31 6.641 6.539 2.036 1.00 0.00 N ATOM 441 CA LEU A 31 7.317 5.247 2.066 1.00 0.00 C ATOM 442 C LEU A 31 8.243 5.088 0.864 1.00 0.00 C ATOM 443 O LEU A 31 9.462 5.013 1.014 1.00 0.00 O ATOM 444 CB LEU A 31 6.290 4.113 2.086 1.00 0.00 C ATOM 445 CG LEU A 31 5.223 4.193 3.179 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.112 3.188 2.914 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.843 3.958 4.548 1.00 0.00 C ATOM 0 H LEU A 31 5.661 6.496 1.758 1.00 0.00 H new ATOM 0 HA LEU A 31 7.919 5.201 2.973 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.789 4.086 1.118 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.823 3.169 2.195 1.00 0.00 H new ATOM 0 HG LEU A 31 4.791 5.193 3.166 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.362 3.259 3.702 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.649 3.403 1.951 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.528 2.181 2.899 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.069 4.019 5.313 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.303 2.970 4.574 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.602 4.717 4.739 1.00 0.00 H new ATOM 459 N ALA A 32 7.655 5.040 -0.327 1.00 0.00 N ATOM 460 CA ALA A 32 8.427 4.895 -1.554 1.00 0.00 C ATOM 461 C ALA A 32 9.692 5.747 -1.511 1.00 0.00 C ATOM 462 O ALA A 32 10.780 5.279 -1.850 1.00 0.00 O ATOM 463 CB ALA A 32 7.578 5.268 -2.760 1.00 0.00 C ATOM 0 H ALA A 32 6.646 5.099 -0.468 1.00 0.00 H new ATOM 0 HA ALA A 32 8.726 3.851 -1.644 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.168 5.155 -3.669 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.708 4.614 -2.808 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.249 6.303 -2.667 1.00 0.00 H new ATOM 469 N LEU A 33 9.541 6.999 -1.094 1.00 0.00 N ATOM 470 CA LEU A 33 10.672 7.917 -1.007 1.00 0.00 C ATOM 471 C LEU A 33 11.756 7.361 -0.090 1.00 0.00 C ATOM 472 O LEU A 33 12.948 7.548 -0.335 1.00 0.00 O ATOM 473 CB LEU A 33 10.207 9.282 -0.498 1.00 0.00 C ATOM 474 CG LEU A 33 9.682 10.251 -1.558 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.790 10.635 -2.526 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.506 9.638 -2.305 1.00 0.00 C ATOM 0 H LEU A 33 8.648 7.402 -0.811 1.00 0.00 H new ATOM 0 HA LEU A 33 11.093 8.032 -2.006 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.422 9.123 0.241 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.040 9.758 0.019 1.00 0.00 H new ATOM 0 HG LEU A 33 9.337 11.155 -1.057 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.398 11.325 -3.273 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.601 11.116 -1.979 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.167 9.740 -3.021 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.145 10.341 -3.055 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.825 8.718 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.704 9.415 -1.601 1.00 0.00 H new ATOM 488 N LYS A 34 11.334 6.676 0.968 1.00 0.00 N ATOM 489 CA LYS A 34 12.268 6.089 1.921 1.00 0.00 C ATOM 490 C LYS A 34 12.809 4.759 1.406 1.00 0.00 C ATOM 491 O LYS A 34 13.937 4.374 1.715 1.00 0.00 O ATOM 492 CB LYS A 34 11.585 5.883 3.275 1.00 0.00 C ATOM 493 CG LYS A 34 12.427 5.104 4.270 1.00 0.00 C ATOM 494 CD LYS A 34 11.561 4.326 5.246 1.00 0.00 C ATOM 495 CE LYS A 34 12.368 3.832 6.437 1.00 0.00 C ATOM 496 NZ LYS A 34 13.213 2.657 6.086 1.00 0.00 N ATOM 0 H LYS A 34 10.351 6.514 1.187 1.00 0.00 H new ATOM 0 HA LYS A 34 13.104 6.778 2.043 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.342 6.856 3.701 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.642 5.358 3.121 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.081 4.416 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.070 5.791 4.820 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.746 4.960 5.595 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.108 3.477 4.735 1.00 0.00 H new ATOM 0 HE2 LYS A 34 13.002 4.638 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 34 11.691 3.563 7.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.490 2.157 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 12.674 2.013 5.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 14.066 2.980 5.586 1.00 0.00 H new ATOM 510 N PHE A 35 11.998 4.062 0.617 1.00 0.00 N ATOM 511 CA PHE A 35 12.395 2.775 0.058 1.00 0.00 C ATOM 512 C PHE A 35 12.628 2.885 -1.446 1.00 0.00 C ATOM 513 O PHE A 35 12.402 1.931 -2.192 1.00 0.00 O ATOM 514 CB PHE A 35 11.326 1.719 0.344 1.00 0.00 C ATOM 515 CG PHE A 35 11.093 1.484 1.809 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.013 0.777 2.567 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.953 1.970 2.429 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.801 0.560 3.915 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.736 1.757 3.778 1.00 0.00 C ATOM 520 CZ PHE A 35 10.661 1.049 4.521 1.00 0.00 C ATOM 0 H PHE A 35 11.062 4.367 0.350 1.00 0.00 H new ATOM 0 HA PHE A 35 13.329 2.473 0.532 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.389 2.027 -0.120 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.620 0.780 -0.124 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.906 0.391 2.098 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.226 2.522 1.852 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.527 0.008 4.494 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.845 2.143 4.250 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.493 0.878 5.574 1.00 0.00 H new ATOM 530 N HIS A 36 13.080 4.055 -1.886 1.00 0.00 N ATOM 531 CA HIS A 36 13.343 4.290 -3.301 1.00 0.00 C ATOM 532 C HIS A 36 14.752 3.837 -3.674 1.00 0.00 C ATOM 533 O HIS A 36 15.709 4.019 -2.921 1.00 0.00 O ATOM 534 CB HIS A 36 13.167 5.772 -3.635 1.00 0.00 C ATOM 535 CG HIS A 36 12.710 6.019 -5.040 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.564 6.396 -6.054 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.479 5.939 -5.597 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.878 6.539 -7.174 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.610 6.267 -6.924 1.00 0.00 N ATOM 0 H HIS A 36 13.272 4.855 -1.283 1.00 0.00 H new ATOM 0 HA HIS A 36 12.627 3.707 -3.880 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.445 6.208 -2.945 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.114 6.287 -3.474 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.564 5.668 -5.092 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.285 6.829 -8.131 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.852 6.296 -7.606 1.00 0.00 H new ATOM 547 N PRO A 37 14.883 3.230 -4.863 1.00 0.00 N ATOM 548 CA PRO A 37 16.170 2.738 -5.363 1.00 0.00 C ATOM 549 C PRO A 37 17.124 3.872 -5.725 1.00 0.00 C ATOM 550 O PRO A 37 18.333 3.769 -5.518 1.00 0.00 O ATOM 551 CB PRO A 37 15.785 1.943 -6.613 1.00 0.00 C ATOM 552 CG PRO A 37 14.499 2.544 -7.062 1.00 0.00 C ATOM 553 CD PRO A 37 13.785 2.979 -5.812 1.00 0.00 C ATOM 0 HA PRO A 37 16.700 2.150 -4.614 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.550 2.023 -7.385 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.669 0.883 -6.388 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.675 3.391 -7.725 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.904 1.821 -7.619 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.187 3.875 -5.981 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.107 2.208 -5.447 1.00 0.00 H new ATOM 561 N ASP A 38 16.572 4.952 -6.266 1.00 0.00 N ATOM 562 CA ASP A 38 17.373 6.107 -6.656 1.00 0.00 C ATOM 563 C ASP A 38 17.615 7.027 -5.464 1.00 0.00 C ATOM 564 O ASP A 38 18.100 8.148 -5.620 1.00 0.00 O ATOM 565 CB ASP A 38 16.681 6.879 -7.780 1.00 0.00 C ATOM 566 CG ASP A 38 16.906 6.248 -9.140 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.027 5.756 -9.387 1.00 0.00 O ATOM 568 OD2 ASP A 38 15.963 6.248 -9.958 1.00 0.00 O ATOM 0 H ASP A 38 15.573 5.052 -6.445 1.00 0.00 H new ATOM 0 HA ASP A 38 18.337 5.745 -7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.611 6.928 -7.578 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.050 7.905 -7.793 1.00 0.00 H new ATOM 573 N LYS A 39 17.274 6.547 -4.273 1.00 0.00 N ATOM 574 CA LYS A 39 17.454 7.326 -3.053 1.00 0.00 C ATOM 575 C LYS A 39 18.124 6.489 -1.968 1.00 0.00 C ATOM 576 O LYS A 39 19.234 6.794 -1.534 1.00 0.00 O ATOM 577 CB LYS A 39 16.105 7.845 -2.552 1.00 0.00 C ATOM 578 CG LYS A 39 15.327 8.625 -3.597 1.00 0.00 C ATOM 579 CD LYS A 39 14.198 9.426 -2.969 1.00 0.00 C ATOM 580 CE LYS A 39 13.661 10.478 -3.927 1.00 0.00 C ATOM 581 NZ LYS A 39 12.866 9.870 -5.030 1.00 0.00 N ATOM 0 H LYS A 39 16.871 5.622 -4.126 1.00 0.00 H new ATOM 0 HA LYS A 39 18.099 8.174 -3.284 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.502 7.001 -2.218 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.270 8.483 -1.684 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.001 9.298 -4.126 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.918 7.937 -4.337 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.392 8.753 -2.677 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.555 9.909 -2.060 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.039 11.185 -3.378 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.492 11.044 -4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.167 10.558 -5.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.501 9.603 -5.809 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.375 9.024 -4.678 1.00 0.00 H new ATOM 595 N ASN A 40 17.442 5.434 -1.535 1.00 0.00 N ATOM 596 CA ASN A 40 17.973 4.553 -0.501 1.00 0.00 C ATOM 597 C ASN A 40 19.077 3.661 -1.060 1.00 0.00 C ATOM 598 O ASN A 40 18.888 2.978 -2.068 1.00 0.00 O ATOM 599 CB ASN A 40 16.854 3.691 0.087 1.00 0.00 C ATOM 600 CG ASN A 40 17.185 3.184 1.478 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.208 2.562 2.128 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 18.305 3.350 1.961 1.00 0.00 N flip ATOM 0 H ASN A 40 16.521 5.168 -1.884 1.00 0.00 H new ATOM 0 HA ASN A 40 18.397 5.174 0.288 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.933 4.272 0.125 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.669 2.842 -0.572 1.00 0.00 H new ATOM 0 HD21 ASN A 40 19.025 3.834 1.425 1.00 0.00 H new ATOM 0 HD22 ASN A 40 18.513 3.004 2.898 1.00 0.00 H new ATOM 650 N GLY A 44 17.311 -4.444 0.701 1.00 0.00 N ATOM 651 CA GLY A 44 16.047 -4.763 1.339 1.00 0.00 C ATOM 652 C GLY A 44 15.054 -3.620 1.261 1.00 0.00 C ATOM 653 O GLY A 44 13.867 -3.836 1.017 1.00 0.00 O ATOM 0 HA2 GLY A 44 15.618 -5.646 0.866 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.225 -5.015 2.384 1.00 0.00 H new ATOM 657 N ALA A 45 15.540 -2.401 1.471 1.00 0.00 N ATOM 658 CA ALA A 45 14.686 -1.220 1.423 1.00 0.00 C ATOM 659 C ALA A 45 13.919 -1.150 0.107 1.00 0.00 C ATOM 660 O ALA A 45 12.689 -1.205 0.089 1.00 0.00 O ATOM 661 CB ALA A 45 15.517 0.039 1.620 1.00 0.00 C ATOM 0 H ALA A 45 16.520 -2.205 1.676 1.00 0.00 H new ATOM 0 HA ALA A 45 13.960 -1.293 2.232 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.867 0.913 1.582 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.015 -0.001 2.589 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.265 0.108 0.830 1.00 0.00 H new ATOM 667 N THR A 46 14.653 -1.029 -0.995 1.00 0.00 N ATOM 668 CA THR A 46 14.042 -0.950 -2.315 1.00 0.00 C ATOM 669 C THR A 46 13.100 -2.124 -2.557 1.00 0.00 C ATOM 670 O THR A 46 11.977 -1.944 -3.024 1.00 0.00 O ATOM 671 CB THR A 46 15.108 -0.924 -3.427 1.00 0.00 C ATOM 672 OG1 THR A 46 16.155 -0.012 -3.080 1.00 0.00 O ATOM 673 CG2 THR A 46 14.492 -0.516 -4.757 1.00 0.00 C ATOM 0 H THR A 46 15.672 -0.984 -0.999 1.00 0.00 H new ATOM 0 HA THR A 46 13.474 -0.020 -2.345 1.00 0.00 H new ATOM 0 HB THR A 46 15.521 -1.928 -3.529 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.829 -0.002 -3.791 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.263 -0.505 -5.527 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.715 -1.229 -5.032 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.056 0.479 -4.666 1.00 0.00 H new ATOM 681 N GLU A 47 13.566 -3.326 -2.234 1.00 0.00 N ATOM 682 CA GLU A 47 12.764 -4.530 -2.417 1.00 0.00 C ATOM 683 C GLU A 47 11.360 -4.339 -1.851 1.00 0.00 C ATOM 684 O GLU A 47 10.378 -4.805 -2.429 1.00 0.00 O ATOM 685 CB GLU A 47 13.439 -5.727 -1.743 1.00 0.00 C ATOM 686 CG GLU A 47 14.442 -6.441 -2.633 1.00 0.00 C ATOM 687 CD GLU A 47 14.859 -7.789 -2.078 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.065 -8.746 -2.187 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.979 -7.886 -1.535 1.00 0.00 O ATOM 0 H GLU A 47 14.494 -3.492 -1.845 1.00 0.00 H new ATOM 0 HA GLU A 47 12.683 -4.723 -3.487 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.945 -5.387 -0.840 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.673 -6.437 -1.431 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.009 -6.578 -3.624 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.325 -5.814 -2.755 1.00 0.00 H new ATOM 696 N ALA A 48 11.274 -3.652 -0.717 1.00 0.00 N ATOM 697 CA ALA A 48 9.991 -3.398 -0.073 1.00 0.00 C ATOM 698 C ALA A 48 9.106 -2.513 -0.944 1.00 0.00 C ATOM 699 O ALA A 48 7.929 -2.809 -1.154 1.00 0.00 O ATOM 700 CB ALA A 48 10.203 -2.758 1.291 1.00 0.00 C ATOM 0 H ALA A 48 12.078 -3.261 -0.225 1.00 0.00 H new ATOM 0 HA ALA A 48 9.484 -4.353 0.062 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.237 -2.574 1.761 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.790 -3.427 1.920 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.734 -1.814 1.171 1.00 0.00 H new ATOM 706 N PHE A 49 9.678 -1.424 -1.447 1.00 0.00 N ATOM 707 CA PHE A 49 8.940 -0.494 -2.294 1.00 0.00 C ATOM 708 C PHE A 49 8.039 -1.246 -3.270 1.00 0.00 C ATOM 709 O PHE A 49 6.856 -0.932 -3.409 1.00 0.00 O ATOM 710 CB PHE A 49 9.908 0.405 -3.065 1.00 0.00 C ATOM 711 CG PHE A 49 9.264 1.142 -4.204 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.233 2.039 -3.972 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.688 0.937 -5.507 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.638 2.719 -5.018 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.097 1.615 -6.557 1.00 0.00 C ATOM 716 CZ PHE A 49 8.070 2.505 -6.313 1.00 0.00 C ATOM 0 H PHE A 49 10.650 -1.164 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 49 8.314 0.125 -1.652 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.346 1.128 -2.377 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.726 -0.203 -3.452 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.891 2.209 -2.962 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.489 0.240 -5.705 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.837 3.416 -4.823 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.439 1.448 -7.568 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.605 3.033 -7.133 1.00 0.00 H new ATOM 726 N LYS A 50 8.607 -2.239 -3.945 1.00 0.00 N ATOM 727 CA LYS A 50 7.857 -3.037 -4.908 1.00 0.00 C ATOM 728 C LYS A 50 6.530 -3.499 -4.316 1.00 0.00 C ATOM 729 O LYS A 50 5.479 -3.360 -4.940 1.00 0.00 O ATOM 730 CB LYS A 50 8.681 -4.250 -5.348 1.00 0.00 C ATOM 731 CG LYS A 50 9.827 -3.900 -6.281 1.00 0.00 C ATOM 732 CD LYS A 50 9.353 -3.755 -7.717 1.00 0.00 C ATOM 733 CE LYS A 50 10.502 -3.411 -8.652 1.00 0.00 C ATOM 734 NZ LYS A 50 10.788 -1.950 -8.666 1.00 0.00 N ATOM 0 H LYS A 50 9.585 -2.511 -3.843 1.00 0.00 H new ATOM 0 HA LYS A 50 7.649 -2.412 -5.776 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.082 -4.747 -4.464 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.024 -4.964 -5.845 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.292 -2.970 -5.955 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.592 -4.675 -6.226 1.00 0.00 H new ATOM 0 HD2 LYS A 50 8.884 -4.684 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.592 -2.977 -7.773 1.00 0.00 H new ATOM 0 HE2 LYS A 50 11.396 -3.953 -8.343 1.00 0.00 H new ATOM 0 HE3 LYS A 50 10.260 -3.743 -9.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 11.577 -1.757 -9.315 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.943 -1.434 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.044 -1.637 -7.708 1.00 0.00 H new ATOM 748 N ALA A 51 6.585 -4.048 -3.107 1.00 0.00 N ATOM 749 CA ALA A 51 5.387 -4.527 -2.429 1.00 0.00 C ATOM 750 C ALA A 51 4.445 -3.374 -2.098 1.00 0.00 C ATOM 751 O ALA A 51 3.239 -3.459 -2.330 1.00 0.00 O ATOM 752 CB ALA A 51 5.762 -5.284 -1.164 1.00 0.00 C ATOM 0 H ALA A 51 7.447 -4.172 -2.577 1.00 0.00 H new ATOM 0 HA ALA A 51 4.866 -5.206 -3.104 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.857 -5.636 -0.669 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.389 -6.137 -1.423 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.309 -4.622 -0.493 1.00 0.00 H new ATOM 758 N ILE A 52 5.004 -2.298 -1.555 1.00 0.00 N ATOM 759 CA ILE A 52 4.214 -1.128 -1.193 1.00 0.00 C ATOM 760 C ILE A 52 3.209 -0.783 -2.287 1.00 0.00 C ATOM 761 O ILE A 52 2.006 -0.978 -2.124 1.00 0.00 O ATOM 762 CB ILE A 52 5.109 0.097 -0.929 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.254 -0.275 0.016 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.287 1.240 -0.351 1.00 0.00 C ATOM 765 CD1 ILE A 52 7.031 0.920 0.523 1.00 0.00 C ATOM 0 H ILE A 52 6.001 -2.212 -1.356 1.00 0.00 H new ATOM 0 HA ILE A 52 3.679 -1.380 -0.278 1.00 0.00 H new ATOM 0 HB ILE A 52 5.537 0.427 -1.876 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.849 -0.822 0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.937 -0.949 -0.501 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.934 2.098 -0.170 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.504 1.518 -1.057 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.833 0.923 0.588 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.826 0.582 1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.466 1.456 -0.321 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.361 1.585 1.069 1.00 0.00 H new ATOM 777 N GLY A 53 3.713 -0.269 -3.405 1.00 0.00 N ATOM 778 CA GLY A 53 2.847 0.094 -4.511 1.00 0.00 C ATOM 779 C GLY A 53 1.697 -0.878 -4.690 1.00 0.00 C ATOM 780 O GLY A 53 0.532 -0.477 -4.713 1.00 0.00 O ATOM 0 H GLY A 53 4.706 -0.098 -3.564 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.450 1.095 -4.344 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.433 0.132 -5.430 1.00 0.00 H new ATOM 784 N THR A 54 2.022 -2.161 -4.818 1.00 0.00 N ATOM 785 CA THR A 54 1.008 -3.192 -4.998 1.00 0.00 C ATOM 786 C THR A 54 -0.233 -2.894 -4.165 1.00 0.00 C ATOM 787 O THR A 54 -1.358 -2.978 -4.658 1.00 0.00 O ATOM 788 CB THR A 54 1.548 -4.583 -4.616 1.00 0.00 C ATOM 789 OG1 THR A 54 2.733 -4.872 -5.366 1.00 0.00 O ATOM 790 CG2 THR A 54 0.503 -5.658 -4.874 1.00 0.00 C ATOM 0 H THR A 54 2.980 -2.510 -4.800 1.00 0.00 H new ATOM 0 HA THR A 54 0.741 -3.192 -6.055 1.00 0.00 H new ATOM 0 HB THR A 54 1.785 -4.577 -3.552 1.00 0.00 H new ATOM 0 HG1 THR A 54 3.508 -4.471 -4.920 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.907 -6.632 -4.597 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.386 -5.451 -4.279 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.239 -5.662 -5.932 1.00 0.00 H new ATOM 798 N ALA A 55 -0.022 -2.545 -2.900 1.00 0.00 N ATOM 799 CA ALA A 55 -1.124 -2.232 -2.000 1.00 0.00 C ATOM 800 C ALA A 55 -1.865 -0.979 -2.454 1.00 0.00 C ATOM 801 O ALA A 55 -3.072 -1.012 -2.695 1.00 0.00 O ATOM 802 CB ALA A 55 -0.611 -2.058 -0.578 1.00 0.00 C ATOM 0 H ALA A 55 0.903 -2.472 -2.476 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.826 -3.065 -2.022 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.445 -1.824 0.084 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.133 -2.981 -0.248 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.114 -1.244 -0.550 1.00 0.00 H new ATOM 808 N TYR A 56 -1.135 0.125 -2.568 1.00 0.00 N ATOM 809 CA TYR A 56 -1.724 1.390 -2.990 1.00 0.00 C ATOM 810 C TYR A 56 -2.574 1.204 -4.244 1.00 0.00 C ATOM 811 O TYR A 56 -3.705 1.684 -4.317 1.00 0.00 O ATOM 812 CB TYR A 56 -0.628 2.425 -3.252 1.00 0.00 C ATOM 813 CG TYR A 56 -1.151 3.736 -3.796 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.544 4.758 -2.942 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.250 3.952 -5.165 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.022 5.956 -3.434 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.726 5.148 -5.667 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.111 6.147 -4.798 1.00 0.00 C ATOM 819 OH TYR A 56 -2.586 7.340 -5.292 1.00 0.00 O ATOM 0 H TYR A 56 -0.135 0.169 -2.374 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.368 1.748 -2.186 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.090 2.615 -2.323 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.091 2.009 -3.958 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.474 4.613 -1.874 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.950 3.172 -5.848 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.325 6.740 -2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.796 5.300 -6.734 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.584 7.313 -6.272 1.00 0.00 H new ATOM 829 N ALA A 57 -2.020 0.503 -5.227 1.00 0.00 N ATOM 830 CA ALA A 57 -2.727 0.250 -6.477 1.00 0.00 C ATOM 831 C ALA A 57 -4.115 -0.323 -6.216 1.00 0.00 C ATOM 832 O ALA A 57 -5.091 0.071 -6.855 1.00 0.00 O ATOM 833 CB ALA A 57 -1.920 -0.693 -7.357 1.00 0.00 C ATOM 0 H ALA A 57 -1.084 0.100 -5.183 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.848 1.200 -6.997 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.459 -0.874 -8.287 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.952 -0.244 -7.580 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.770 -1.638 -6.835 1.00 0.00 H new ATOM 839 N VAL A 58 -4.197 -1.257 -5.274 1.00 0.00 N ATOM 840 CA VAL A 58 -5.467 -1.885 -4.929 1.00 0.00 C ATOM 841 C VAL A 58 -6.428 -0.877 -4.308 1.00 0.00 C ATOM 842 O VAL A 58 -7.428 -0.498 -4.918 1.00 0.00 O ATOM 843 CB VAL A 58 -5.266 -3.056 -3.949 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.606 -3.658 -3.553 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.358 -4.112 -4.561 1.00 0.00 C ATOM 0 H VAL A 58 -3.399 -1.596 -4.736 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.894 -2.266 -5.857 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.786 -2.674 -3.048 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.443 -4.484 -2.860 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.219 -2.896 -3.072 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.117 -4.026 -4.443 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.227 -4.932 -3.855 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.808 -4.491 -5.478 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.388 -3.670 -4.788 1.00 0.00 H new ATOM 855 N LEU A 59 -6.117 -0.445 -3.090 1.00 0.00 N ATOM 856 CA LEU A 59 -6.953 0.521 -2.385 1.00 0.00 C ATOM 857 C LEU A 59 -7.184 1.765 -3.237 1.00 0.00 C ATOM 858 O LEU A 59 -8.325 2.141 -3.507 1.00 0.00 O ATOM 859 CB LEU A 59 -6.304 0.912 -1.057 1.00 0.00 C ATOM 860 CG LEU A 59 -5.871 -0.244 -0.155 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.996 0.263 0.981 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.088 -0.977 0.393 1.00 0.00 C ATOM 0 H LEU A 59 -5.293 -0.748 -2.571 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.918 0.054 -2.188 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.430 1.527 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.005 1.536 -0.503 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.286 -0.945 -0.751 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.698 -0.574 1.612 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.107 0.742 0.570 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.555 0.985 1.576 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.761 -1.797 1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.699 -0.285 0.973 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.676 -1.375 -0.434 1.00 0.00 H new ATOM 874 N SER A 60 -6.095 2.398 -3.659 1.00 0.00 N ATOM 875 CA SER A 60 -6.178 3.601 -4.479 1.00 0.00 C ATOM 876 C SER A 60 -7.346 3.511 -5.457 1.00 0.00 C ATOM 877 O SER A 60 -7.988 4.514 -5.767 1.00 0.00 O ATOM 878 CB SER A 60 -4.872 3.813 -5.246 1.00 0.00 C ATOM 879 OG SER A 60 -4.952 4.952 -6.085 1.00 0.00 O ATOM 0 H SER A 60 -5.144 2.098 -3.447 1.00 0.00 H new ATOM 0 HA SER A 60 -6.344 4.451 -3.817 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.049 3.933 -4.542 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.652 2.930 -5.846 1.00 0.00 H new ATOM 0 HG SER A 60 -4.089 5.416 -6.089 1.00 0.00 H new ATOM 885 N ASN A 61 -7.615 2.302 -5.938 1.00 0.00 N ATOM 886 CA ASN A 61 -8.705 2.080 -6.881 1.00 0.00 C ATOM 887 C ASN A 61 -10.003 1.756 -6.147 1.00 0.00 C ATOM 888 O ASN A 61 -10.014 1.058 -5.133 1.00 0.00 O ATOM 889 CB ASN A 61 -8.352 0.943 -7.842 1.00 0.00 C ATOM 890 CG ASN A 61 -7.304 1.349 -8.860 1.00 0.00 C ATOM 891 OD1 ASN A 61 -6.263 1.904 -8.507 1.00 0.00 O ATOM 892 ND2 ASN A 61 -7.575 1.075 -10.130 1.00 0.00 N ATOM 0 H ASN A 61 -7.093 1.461 -5.691 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.851 2.997 -7.451 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.988 0.089 -7.271 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.253 0.618 -8.362 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.908 1.326 -10.859 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -8.451 0.614 -10.377 1.00 0.00 H new ATOM 899 N PRO A 62 -11.124 2.275 -6.670 1.00 0.00 N ATOM 900 CA PRO A 62 -12.448 2.054 -6.081 1.00 0.00 C ATOM 901 C PRO A 62 -12.921 0.613 -6.243 1.00 0.00 C ATOM 902 O PRO A 62 -13.494 0.032 -5.322 1.00 0.00 O ATOM 903 CB PRO A 62 -13.350 3.005 -6.870 1.00 0.00 C ATOM 904 CG PRO A 62 -12.657 3.190 -8.176 1.00 0.00 C ATOM 905 CD PRO A 62 -11.185 3.116 -7.877 1.00 0.00 C ATOM 0 HA PRO A 62 -12.452 2.235 -5.006 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.346 2.584 -7.007 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.474 3.955 -6.350 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.950 2.417 -8.886 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.917 4.149 -8.623 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.629 2.674 -8.703 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.761 4.104 -7.700 1.00 0.00 H new ATOM 913 N GLU A 63 -12.678 0.044 -7.420 1.00 0.00 N ATOM 914 CA GLU A 63 -13.081 -1.329 -7.701 1.00 0.00 C ATOM 915 C GLU A 63 -12.258 -2.316 -6.879 1.00 0.00 C ATOM 916 O GLU A 63 -12.802 -3.231 -6.259 1.00 0.00 O ATOM 917 CB GLU A 63 -12.924 -1.634 -9.192 1.00 0.00 C ATOM 918 CG GLU A 63 -14.014 -1.024 -10.057 1.00 0.00 C ATOM 919 CD GLU A 63 -13.871 0.478 -10.203 1.00 0.00 C ATOM 920 OE1 GLU A 63 -12.975 0.919 -10.952 1.00 0.00 O ATOM 921 OE2 GLU A 63 -14.656 1.213 -9.567 1.00 0.00 O ATOM 0 H GLU A 63 -12.205 0.512 -8.193 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.129 -1.438 -7.424 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.955 -1.265 -9.529 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.921 -2.715 -9.335 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.990 -1.485 -11.044 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.987 -1.252 -9.623 1.00 0.00 H new ATOM 928 N LYS A 64 -10.943 -2.126 -6.879 1.00 0.00 N ATOM 929 CA LYS A 64 -10.043 -2.998 -6.133 1.00 0.00 C ATOM 930 C LYS A 64 -10.168 -2.754 -4.633 1.00 0.00 C ATOM 931 O LYS A 64 -9.812 -3.610 -3.823 1.00 0.00 O ATOM 932 CB LYS A 64 -8.597 -2.772 -6.578 1.00 0.00 C ATOM 933 CG LYS A 64 -8.328 -3.199 -8.011 1.00 0.00 C ATOM 934 CD LYS A 64 -6.852 -3.092 -8.357 1.00 0.00 C ATOM 935 CE LYS A 64 -6.488 -3.990 -9.529 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.505 -5.431 -9.151 1.00 0.00 N ATOM 0 H LYS A 64 -10.476 -1.375 -7.388 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.324 -4.031 -6.340 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.354 -1.715 -6.471 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.931 -3.321 -5.913 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.663 -4.226 -8.154 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.908 -2.577 -8.692 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.608 -2.058 -8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.253 -3.365 -7.488 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.188 -3.821 -10.347 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.497 -3.723 -9.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.986 -5.983 -9.864 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.052 -5.552 -8.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.489 -5.766 -9.103 1.00 0.00 H new ATOM 950 N ARG A 65 -10.677 -1.581 -4.269 1.00 0.00 N ATOM 951 CA ARG A 65 -10.849 -1.225 -2.865 1.00 0.00 C ATOM 952 C ARG A 65 -12.144 -1.813 -2.310 1.00 0.00 C ATOM 953 O ARG A 65 -12.178 -2.319 -1.189 1.00 0.00 O ATOM 954 CB ARG A 65 -10.854 0.295 -2.700 1.00 0.00 C ATOM 955 CG ARG A 65 -11.169 0.753 -1.285 1.00 0.00 C ATOM 956 CD ARG A 65 -11.332 2.263 -1.211 1.00 0.00 C ATOM 957 NE ARG A 65 -11.679 2.710 0.135 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.308 3.853 0.391 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.657 4.658 -0.603 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.589 4.191 1.643 1.00 0.00 N ATOM 0 H ARG A 65 -10.977 -0.861 -4.927 1.00 0.00 H new ATOM 0 HA ARG A 65 -10.012 -1.641 -2.305 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.879 0.687 -2.991 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.587 0.724 -3.383 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.083 0.270 -0.940 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.370 0.439 -0.613 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.405 2.744 -1.525 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.107 2.579 -1.909 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.425 2.113 0.922 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.443 4.401 -1.567 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -13.140 5.534 -0.404 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.322 3.574 2.410 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.072 5.068 1.838 1.00 0.00 H new ATOM 974 N LYS A 66 -13.208 -1.741 -3.103 1.00 0.00 N ATOM 975 CA LYS A 66 -14.505 -2.265 -2.693 1.00 0.00 C ATOM 976 C LYS A 66 -14.446 -3.778 -2.506 1.00 0.00 C ATOM 977 O LYS A 66 -15.121 -4.331 -1.638 1.00 0.00 O ATOM 978 CB LYS A 66 -15.572 -1.911 -3.731 1.00 0.00 C ATOM 979 CG LYS A 66 -15.530 -2.787 -4.971 1.00 0.00 C ATOM 980 CD LYS A 66 -16.854 -2.763 -5.716 1.00 0.00 C ATOM 981 CE LYS A 66 -16.665 -3.049 -7.198 1.00 0.00 C ATOM 982 NZ LYS A 66 -16.648 -4.510 -7.484 1.00 0.00 N ATOM 0 H LYS A 66 -13.197 -1.324 -4.034 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.768 -1.808 -1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.556 -1.995 -3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.447 -0.870 -4.028 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.733 -2.445 -5.632 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.290 -3.811 -4.686 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.529 -3.503 -5.285 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.326 -1.789 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.469 -2.578 -7.764 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -15.731 -2.602 -7.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -16.517 -4.662 -8.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.866 -4.956 -6.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.549 -4.933 -7.183 1.00 0.00 H new ATOM 996 N GLN A 67 -13.633 -4.440 -3.323 1.00 0.00 N ATOM 997 CA GLN A 67 -13.486 -5.888 -3.246 1.00 0.00 C ATOM 998 C GLN A 67 -12.692 -6.289 -2.007 1.00 0.00 C ATOM 999 O GLN A 67 -12.940 -7.337 -1.411 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.795 -6.420 -4.503 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.298 -6.156 -4.532 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.574 -7.019 -5.547 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.110 -7.329 -6.611 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.347 -7.411 -5.222 1.00 0.00 N ATOM 0 H GLN A 67 -13.066 -3.996 -4.046 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.482 -6.326 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.968 -7.494 -4.576 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.253 -5.963 -5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.122 -5.105 -4.763 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.881 -6.339 -3.542 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.942 -7.130 -4.329 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.810 -7.993 -5.865 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.737 -5.449 -1.625 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.904 -5.717 -0.459 1.00 0.00 C ATOM 1015 C TYR A 68 -11.674 -5.455 0.832 1.00 0.00 C ATOM 1016 O TYR A 68 -11.697 -6.290 1.736 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.642 -4.854 -0.497 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.519 -5.385 0.365 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.987 -6.649 0.145 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -7.991 -4.622 1.399 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.961 -7.139 0.931 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -6.964 -5.103 2.189 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.453 -6.362 1.951 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.431 -6.845 2.736 1.00 0.00 O ATOM 0 H TYR A 68 -11.520 -4.576 -2.106 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.617 -6.768 -0.483 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.294 -4.779 -1.527 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.892 -3.844 -0.171 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.382 -7.259 -0.654 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.390 -3.636 1.589 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.559 -8.125 0.747 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.564 -4.497 2.988 1.00 0.00 H new ATOM 0 HH TYR A 68 -4.579 -6.741 2.264 1.00 0.00 H new