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 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+ 178:sc= -1.39! (180deg=-1.41!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -2.8! C(o=-2.8!,f=-5.5!) USER MOD Single : A 39 LYS NZ :NH3+ -159:sc= -0.0296 (180deg=-0.254) USER MOD Single : A 40 ASN : amide:sc= 0.157 K(o=0.16,f=-1.4) USER MOD Single : A 46 THR OG1 : rot 91:sc= 0.0425 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -82:sc= 1.14 USER MOD Single : A 61 ASN : amide:sc= -1.25 K(o=-1.2,f=-2!) USER MOD Single : A 64 LYS NZ :NH3+ -173:sc= -0.625 (180deg=-0.707) USER MOD Single : A 66 LYS NZ :NH3+ 153:sc= 0.0137 (180deg=-0.95) USER MOD Single : A 67 GLN : amide:sc= -5.53! C(o=-5.5!,f=-7.9!) USER MOD Single : A 68 TYR OH : rot -163:sc= -0.419 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.652 -6.697 5.477 1.00 0.00 N ATOM 67 CA ASP A 8 -2.784 -6.034 4.840 1.00 0.00 C ATOM 68 C ASP A 8 -2.348 -4.733 4.174 1.00 0.00 C ATOM 69 O ASP A 8 -1.443 -4.050 4.655 1.00 0.00 O ATOM 70 CB ASP A 8 -3.882 -5.753 5.867 1.00 0.00 C ATOM 71 CG ASP A 8 -3.328 -5.223 7.175 1.00 0.00 C ATOM 72 OD1 ASP A 8 -2.503 -5.924 7.797 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.721 -4.108 7.578 1.00 0.00 O ATOM 0 HA ASP A 8 -3.178 -6.700 4.072 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.586 -5.030 5.454 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.441 -6.669 6.057 1.00 0.00 H new ATOM 78 N TYR A 9 -2.996 -4.396 3.064 1.00 0.00 N ATOM 79 CA TYR A 9 -2.672 -3.179 2.330 1.00 0.00 C ATOM 80 C TYR A 9 -2.595 -1.980 3.270 1.00 0.00 C ATOM 81 O TYR A 9 -1.528 -1.397 3.466 1.00 0.00 O ATOM 82 CB TYR A 9 -3.716 -2.922 1.242 1.00 0.00 C ATOM 83 CG TYR A 9 -3.908 -4.088 0.299 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.828 -4.862 -0.109 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.169 -4.416 -0.185 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.999 -5.928 -0.971 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.348 -5.481 -1.046 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.260 -6.234 -1.436 1.00 0.00 C ATOM 89 OH TYR A 9 -4.435 -7.295 -2.294 1.00 0.00 O ATOM 0 H TYR A 9 -3.748 -4.949 2.653 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.696 -3.315 1.864 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.670 -2.687 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.420 -2.045 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.839 -4.626 0.254 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -6.023 -3.828 0.117 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.149 -6.519 -1.279 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.335 -5.723 -1.412 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.384 -7.375 -2.526 1.00 0.00 H new ATOM 99 N TYR A 10 -3.734 -1.617 3.850 1.00 0.00 N ATOM 100 CA TYR A 10 -3.798 -0.487 4.769 1.00 0.00 C ATOM 101 C TYR A 10 -2.549 -0.425 5.643 1.00 0.00 C ATOM 102 O TYR A 10 -2.030 0.654 5.925 1.00 0.00 O ATOM 103 CB TYR A 10 -5.046 -0.587 5.648 1.00 0.00 C ATOM 104 CG TYR A 10 -6.334 -0.325 4.902 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.537 0.869 4.222 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.350 -1.274 4.876 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.713 1.113 3.540 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.529 -1.040 4.196 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.706 0.155 3.530 1.00 0.00 C ATOM 110 OH TYR A 10 -9.879 0.394 2.850 1.00 0.00 O ATOM 0 H TYR A 10 -4.626 -2.089 3.700 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.851 0.427 4.178 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.089 -1.582 6.092 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.960 0.125 6.469 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.761 1.620 4.227 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.215 -2.210 5.397 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.854 2.048 3.018 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.308 -1.788 4.186 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.473 -0.380 2.941 1.00 0.00 H new ATOM 120 N GLU A 11 -2.074 -1.591 6.069 1.00 0.00 N ATOM 121 CA GLU A 11 -0.886 -1.670 6.911 1.00 0.00 C ATOM 122 C GLU A 11 0.375 -1.386 6.101 1.00 0.00 C ATOM 123 O GLU A 11 1.225 -0.595 6.513 1.00 0.00 O ATOM 124 CB GLU A 11 -0.787 -3.050 7.564 1.00 0.00 C ATOM 125 CG GLU A 11 -1.526 -3.152 8.888 1.00 0.00 C ATOM 126 CD GLU A 11 -0.777 -2.486 10.026 1.00 0.00 C ATOM 127 OE1 GLU A 11 0.430 -2.764 10.185 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.399 -1.688 10.758 1.00 0.00 O ATOM 0 H GLU A 11 -2.493 -2.493 5.845 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.974 -0.913 7.691 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.185 -3.797 6.877 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.264 -3.292 7.724 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.510 -2.693 8.787 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.688 -4.202 9.130 1.00 0.00 H new ATOM 135 N ILE A 12 0.490 -2.037 4.949 1.00 0.00 N ATOM 136 CA ILE A 12 1.647 -1.855 4.081 1.00 0.00 C ATOM 137 C ILE A 12 1.956 -0.375 3.880 1.00 0.00 C ATOM 138 O ILE A 12 3.117 0.016 3.754 1.00 0.00 O ATOM 139 CB ILE A 12 1.428 -2.513 2.706 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.477 -4.037 2.832 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.472 -2.025 1.713 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.967 -4.761 1.605 1.00 0.00 C ATOM 0 H ILE A 12 -0.204 -2.695 4.595 1.00 0.00 H new ATOM 0 HA ILE A 12 2.491 -2.336 4.575 1.00 0.00 H new ATOM 0 HB ILE A 12 0.443 -2.229 2.337 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.505 -4.345 3.025 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.886 -4.341 3.696 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.304 -2.499 0.746 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.394 -0.943 1.605 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.467 -2.283 2.075 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.031 -5.837 1.765 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -0.071 -4.482 1.423 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.573 -4.486 0.742 1.00 0.00 H new ATOM 154 N LEU A 13 0.911 0.444 3.854 1.00 0.00 N ATOM 155 CA LEU A 13 1.070 1.882 3.671 1.00 0.00 C ATOM 156 C LEU A 13 1.124 2.600 5.016 1.00 0.00 C ATOM 157 O LEU A 13 1.865 3.567 5.186 1.00 0.00 O ATOM 158 CB LEU A 13 -0.079 2.439 2.829 1.00 0.00 C ATOM 159 CG LEU A 13 -0.265 1.811 1.447 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.529 2.339 0.786 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.949 2.081 0.571 1.00 0.00 C ATOM 0 H LEU A 13 -0.056 0.137 3.957 1.00 0.00 H new ATOM 0 HA LEU A 13 2.012 2.055 3.150 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -1.006 2.316 3.389 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.077 3.510 2.701 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.367 0.733 1.570 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.644 1.881 -0.196 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.393 2.094 1.404 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.457 3.421 0.676 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.799 1.627 -0.408 1.00 0.00 H new ATOM 0 HD22 LEU A 13 1.082 3.157 0.456 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.837 1.653 1.037 1.00 0.00 H new ATOM 173 N GLY A 14 0.335 2.117 5.971 1.00 0.00 N ATOM 174 CA GLY A 14 0.309 2.722 7.289 1.00 0.00 C ATOM 175 C GLY A 14 -0.837 3.700 7.456 1.00 0.00 C ATOM 176 O GLY A 14 -0.622 4.876 7.749 1.00 0.00 O ATOM 0 H GLY A 14 -0.287 1.317 5.855 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.227 1.939 8.043 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.252 3.239 7.467 1.00 0.00 H new ATOM 180 N VAL A 15 -2.060 3.214 7.268 1.00 0.00 N ATOM 181 CA VAL A 15 -3.245 4.053 7.399 1.00 0.00 C ATOM 182 C VAL A 15 -4.403 3.276 8.015 1.00 0.00 C ATOM 183 O VAL A 15 -4.316 2.064 8.211 1.00 0.00 O ATOM 184 CB VAL A 15 -3.687 4.617 6.035 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.615 5.531 5.462 1.00 0.00 C ATOM 186 CG2 VAL A 15 -4.006 3.485 5.070 1.00 0.00 C ATOM 0 H VAL A 15 -2.256 2.243 7.024 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.976 4.880 8.056 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.592 5.206 6.181 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.945 5.920 4.499 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.440 6.360 6.147 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.691 4.969 5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.317 3.901 4.111 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.119 2.868 4.928 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.811 2.875 5.479 1.00 0.00 H new ATOM 196 N SER A 16 -5.487 3.983 8.318 1.00 0.00 N ATOM 197 CA SER A 16 -6.663 3.360 8.915 1.00 0.00 C ATOM 198 C SER A 16 -7.572 2.772 7.840 1.00 0.00 C ATOM 199 O SER A 16 -7.464 3.118 6.664 1.00 0.00 O ATOM 200 CB SER A 16 -7.437 4.381 9.751 1.00 0.00 C ATOM 201 OG SER A 16 -6.809 4.597 11.003 1.00 0.00 O ATOM 0 H SER A 16 -5.575 4.987 8.160 1.00 0.00 H new ATOM 0 HA SER A 16 -6.326 2.551 9.563 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.505 5.323 9.208 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.457 4.029 9.908 1.00 0.00 H new ATOM 0 HG SER A 16 -7.322 5.255 11.517 1.00 0.00 H new ATOM 207 N ARG A 17 -8.467 1.881 8.254 1.00 0.00 N ATOM 208 CA ARG A 17 -9.394 1.243 7.327 1.00 0.00 C ATOM 209 C ARG A 17 -10.480 2.220 6.886 1.00 0.00 C ATOM 210 O ARG A 17 -11.432 2.479 7.621 1.00 0.00 O ATOM 211 CB ARG A 17 -10.032 0.013 7.976 1.00 0.00 C ATOM 212 CG ARG A 17 -9.123 -1.205 7.997 1.00 0.00 C ATOM 213 CD ARG A 17 -7.870 -0.951 8.821 1.00 0.00 C ATOM 214 NE ARG A 17 -7.341 -2.180 9.405 1.00 0.00 N ATOM 215 CZ ARG A 17 -7.780 -2.700 10.546 1.00 0.00 C ATOM 216 NH1 ARG A 17 -8.751 -2.100 11.221 1.00 0.00 N ATOM 217 NH2 ARG A 17 -7.248 -3.822 11.014 1.00 0.00 N ATOM 0 H ARG A 17 -8.570 1.585 9.225 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.832 0.930 6.447 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.319 0.260 8.998 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.948 -0.237 7.440 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.664 -2.057 8.409 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.842 -1.468 6.977 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.108 -0.492 8.191 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.097 -0.240 9.616 1.00 0.00 H new ATOM 0 HE ARG A 17 -6.593 -2.666 8.910 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -9.162 -1.237 10.864 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.086 -2.501 12.097 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -6.501 -4.286 10.498 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -7.586 -4.220 11.890 1.00 0.00 H new ATOM 231 N GLY A 18 -10.330 2.760 5.680 1.00 0.00 N ATOM 232 CA GLY A 18 -11.304 3.702 5.162 1.00 0.00 C ATOM 233 C GLY A 18 -10.680 5.029 4.780 1.00 0.00 C ATOM 234 O GLY A 18 -11.383 6.022 4.591 1.00 0.00 O ATOM 0 H GLY A 18 -9.551 2.561 5.053 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.794 3.270 4.290 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.077 3.870 5.912 1.00 0.00 H new ATOM 238 N ALA A 19 -9.356 5.049 4.667 1.00 0.00 N ATOM 239 CA ALA A 19 -8.638 6.264 4.304 1.00 0.00 C ATOM 240 C ALA A 19 -8.942 6.673 2.867 1.00 0.00 C ATOM 241 O ALA A 19 -8.937 5.841 1.960 1.00 0.00 O ATOM 242 CB ALA A 19 -7.141 6.069 4.494 1.00 0.00 C ATOM 0 H ALA A 19 -8.759 4.237 4.822 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.975 7.066 4.961 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.617 6.984 4.219 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.935 5.832 5.538 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.798 5.250 3.861 1.00 0.00 H new ATOM 248 N SER A 20 -9.207 7.960 2.667 1.00 0.00 N ATOM 249 CA SER A 20 -9.518 8.479 1.340 1.00 0.00 C ATOM 250 C SER A 20 -8.334 8.298 0.394 1.00 0.00 C ATOM 251 O SER A 20 -7.245 7.908 0.814 1.00 0.00 O ATOM 252 CB SER A 20 -9.897 9.959 1.423 1.00 0.00 C ATOM 253 OG SER A 20 -11.291 10.118 1.618 1.00 0.00 O ATOM 0 H SER A 20 -9.213 8.662 3.407 1.00 0.00 H new ATOM 0 HA SER A 20 -10.365 7.916 0.947 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.356 10.431 2.243 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.594 10.467 0.507 1.00 0.00 H new ATOM 0 HG SER A 20 -11.507 11.072 1.669 1.00 0.00 H new ATOM 259 N ASP A 21 -8.557 8.583 -0.884 1.00 0.00 N ATOM 260 CA ASP A 21 -7.510 8.453 -1.890 1.00 0.00 C ATOM 261 C ASP A 21 -6.262 9.227 -1.478 1.00 0.00 C ATOM 262 O ASP A 21 -5.152 8.697 -1.512 1.00 0.00 O ATOM 263 CB ASP A 21 -8.011 8.952 -3.246 1.00 0.00 C ATOM 264 CG ASP A 21 -9.327 8.316 -3.647 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.527 7.123 -3.338 1.00 0.00 O ATOM 266 OD2 ASP A 21 -10.156 9.010 -4.272 1.00 0.00 O ATOM 0 H ASP A 21 -9.454 8.906 -1.248 1.00 0.00 H new ATOM 0 HA ASP A 21 -7.250 7.398 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.130 10.035 -3.210 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.261 8.739 -4.008 1.00 0.00 H new ATOM 271 N GLU A 22 -6.452 10.484 -1.091 1.00 0.00 N ATOM 272 CA GLU A 22 -5.341 11.332 -0.675 1.00 0.00 C ATOM 273 C GLU A 22 -4.456 10.610 0.338 1.00 0.00 C ATOM 274 O GLU A 22 -3.276 10.368 0.085 1.00 0.00 O ATOM 275 CB GLU A 22 -5.863 12.638 -0.073 1.00 0.00 C ATOM 276 CG GLU A 22 -6.983 12.438 0.935 1.00 0.00 C ATOM 277 CD GLU A 22 -7.948 13.608 0.974 1.00 0.00 C ATOM 278 OE1 GLU A 22 -8.531 13.933 -0.081 1.00 0.00 O ATOM 279 OE2 GLU A 22 -8.119 14.197 2.062 1.00 0.00 O ATOM 0 H GLU A 22 -7.365 10.938 -1.057 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.743 11.561 -1.557 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -5.038 13.160 0.412 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.220 13.282 -0.877 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.530 11.528 0.689 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.553 12.293 1.926 1.00 0.00 H new ATOM 286 N ASP A 23 -5.035 10.270 1.484 1.00 0.00 N ATOM 287 CA ASP A 23 -4.301 9.576 2.535 1.00 0.00 C ATOM 288 C ASP A 23 -3.511 8.403 1.963 1.00 0.00 C ATOM 289 O ASP A 23 -2.302 8.293 2.172 1.00 0.00 O ATOM 290 CB ASP A 23 -5.262 9.080 3.617 1.00 0.00 C ATOM 291 CG ASP A 23 -4.615 9.027 4.987 1.00 0.00 C ATOM 292 OD1 ASP A 23 -3.732 9.867 5.258 1.00 0.00 O ATOM 293 OD2 ASP A 23 -4.992 8.145 5.787 1.00 0.00 O ATOM 0 H ASP A 23 -6.011 10.464 1.709 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.599 10.282 2.979 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.132 9.736 3.654 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.623 8.087 3.350 1.00 0.00 H new ATOM 298 N LEU A 24 -4.202 7.528 1.241 1.00 0.00 N ATOM 299 CA LEU A 24 -3.566 6.361 0.638 1.00 0.00 C ATOM 300 C LEU A 24 -2.345 6.769 -0.181 1.00 0.00 C ATOM 301 O LEU A 24 -1.322 6.085 -0.174 1.00 0.00 O ATOM 302 CB LEU A 24 -4.563 5.613 -0.248 1.00 0.00 C ATOM 303 CG LEU A 24 -5.856 5.160 0.431 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.983 5.055 -0.584 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.648 3.830 1.140 1.00 0.00 C ATOM 0 H LEU A 24 -5.203 7.604 1.059 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.238 5.701 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.824 6.255 -1.089 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -4.065 4.735 -0.659 1.00 0.00 H new ATOM 0 HG LEU A 24 -6.134 5.906 1.176 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.895 4.731 -0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -7.149 6.028 -1.046 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.714 4.330 -1.352 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.578 3.523 1.618 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.346 3.074 0.415 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.871 3.939 1.896 1.00 0.00 H new ATOM 317 N LYS A 25 -2.460 7.890 -0.886 1.00 0.00 N ATOM 318 CA LYS A 25 -1.366 8.392 -1.709 1.00 0.00 C ATOM 319 C LYS A 25 -0.224 8.909 -0.839 1.00 0.00 C ATOM 320 O LYS A 25 0.878 8.362 -0.855 1.00 0.00 O ATOM 321 CB LYS A 25 -1.865 9.508 -2.630 1.00 0.00 C ATOM 322 CG LYS A 25 -0.825 9.980 -3.632 1.00 0.00 C ATOM 323 CD LYS A 25 -1.462 10.752 -4.775 1.00 0.00 C ATOM 324 CE LYS A 25 -2.233 11.961 -4.269 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.701 12.827 -5.386 1.00 0.00 N ATOM 0 H LYS A 25 -3.300 8.468 -0.904 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.992 7.567 -2.316 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.744 9.156 -3.170 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.182 10.355 -2.022 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.093 10.612 -3.128 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.284 9.121 -4.029 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.689 11.077 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.134 10.096 -5.329 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.090 11.627 -3.685 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -1.599 12.542 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.222 13.640 -5.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.881 13.167 -5.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.327 12.280 -6.011 1.00 0.00 H new ATOM 339 N LYS A 26 -0.496 9.965 -0.080 1.00 0.00 N ATOM 340 CA LYS A 26 0.507 10.554 0.799 1.00 0.00 C ATOM 341 C LYS A 26 1.354 9.471 1.461 1.00 0.00 C ATOM 342 O LYS A 26 2.577 9.456 1.325 1.00 0.00 O ATOM 343 CB LYS A 26 -0.166 11.416 1.870 1.00 0.00 C ATOM 344 CG LYS A 26 -1.115 12.458 1.304 1.00 0.00 C ATOM 345 CD LYS A 26 -1.667 13.360 2.394 1.00 0.00 C ATOM 346 CE LYS A 26 -2.902 12.757 3.045 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.551 11.903 4.214 1.00 0.00 N ATOM 0 H LYS A 26 -1.403 10.431 -0.056 1.00 0.00 H new ATOM 0 HA LYS A 26 1.160 11.182 0.194 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.716 10.769 2.553 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.603 11.918 2.457 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.593 13.061 0.561 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.938 11.961 0.790 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -0.901 13.528 3.151 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.916 14.333 1.971 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -3.570 13.556 3.366 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -3.446 12.162 2.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.421 11.538 4.651 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -1.962 11.107 3.898 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -2.025 12.468 4.911 1.00 0.00 H new ATOM 361 N ALA A 27 0.695 8.567 2.178 1.00 0.00 N ATOM 362 CA ALA A 27 1.387 7.479 2.858 1.00 0.00 C ATOM 363 C ALA A 27 2.177 6.628 1.869 1.00 0.00 C ATOM 364 O ALA A 27 3.351 6.332 2.090 1.00 0.00 O ATOM 365 CB ALA A 27 0.392 6.617 3.622 1.00 0.00 C ATOM 0 H ALA A 27 -0.317 8.566 2.303 1.00 0.00 H new ATOM 0 HA ALA A 27 2.092 7.915 3.566 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.922 5.808 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.125 7.228 4.362 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.335 6.197 2.927 1.00 0.00 H new ATOM 371 N TYR A 28 1.526 6.238 0.779 1.00 0.00 N ATOM 372 CA TYR A 28 2.167 5.418 -0.242 1.00 0.00 C ATOM 373 C TYR A 28 3.485 6.041 -0.692 1.00 0.00 C ATOM 374 O TYR A 28 4.527 5.385 -0.690 1.00 0.00 O ATOM 375 CB TYR A 28 1.237 5.242 -1.443 1.00 0.00 C ATOM 376 CG TYR A 28 1.906 4.603 -2.639 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.903 3.650 -2.475 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.540 4.953 -3.933 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.518 3.064 -3.565 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.148 4.371 -5.029 1.00 0.00 C ATOM 381 CZ TYR A 28 3.137 3.428 -4.840 1.00 0.00 C ATOM 382 OH TYR A 28 3.746 2.846 -5.928 1.00 0.00 O ATOM 0 H TYR A 28 0.555 6.477 0.580 1.00 0.00 H new ATOM 0 HA TYR A 28 2.377 4.441 0.192 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.384 4.632 -1.145 1.00 0.00 H new ATOM 0 HB3 TYR A 28 0.845 6.217 -1.734 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.203 3.362 -1.478 1.00 0.00 H new ATOM 0 HD2 TYR A 28 0.767 5.692 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.292 2.325 -3.420 1.00 0.00 H new ATOM 0 HE2 TYR A 28 1.850 4.653 -6.028 1.00 0.00 H new ATOM 0 HH TYR A 28 3.362 3.211 -6.752 1.00 0.00 H new ATOM 392 N ARG A 29 3.430 7.312 -1.077 1.00 0.00 N ATOM 393 CA ARG A 29 4.619 8.024 -1.530 1.00 0.00 C ATOM 394 C ARG A 29 5.628 8.176 -0.396 1.00 0.00 C ATOM 395 O ARG A 29 6.752 7.682 -0.482 1.00 0.00 O ATOM 396 CB ARG A 29 4.236 9.402 -2.075 1.00 0.00 C ATOM 397 CG ARG A 29 3.229 9.350 -3.211 1.00 0.00 C ATOM 398 CD ARG A 29 2.960 10.734 -3.781 1.00 0.00 C ATOM 399 NE ARG A 29 2.559 10.679 -5.185 1.00 0.00 N ATOM 400 CZ ARG A 29 3.404 10.441 -6.181 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.690 10.237 -5.930 1.00 0.00 N ATOM 402 NH2 ARG A 29 2.964 10.407 -7.432 1.00 0.00 N ATOM 0 H ARG A 29 2.576 7.869 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 29 5.080 7.440 -2.326 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.825 10.003 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.136 9.909 -2.422 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.602 8.697 -4.000 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.296 8.916 -2.852 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.177 11.220 -3.199 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.856 11.347 -3.684 1.00 0.00 H new ATOM 0 HE ARG A 29 1.576 10.832 -5.412 1.00 0.00 H new ATOM 0 HH11 ARG A 29 5.032 10.263 -4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 29 5.337 10.054 -6.697 1.00 0.00 H new ATOM 0 HH21 ARG A 29 1.976 10.564 -7.629 1.00 0.00 H new ATOM 0 HH22 ARG A 29 3.614 10.224 -8.196 1.00 0.00 H new ATOM 416 N ARG A 30 5.218 8.862 0.666 1.00 0.00 N ATOM 417 CA ARG A 30 6.086 9.080 1.817 1.00 0.00 C ATOM 418 C ARG A 30 6.966 7.860 2.073 1.00 0.00 C ATOM 419 O ARG A 30 8.088 7.983 2.566 1.00 0.00 O ATOM 420 CB ARG A 30 5.252 9.390 3.061 1.00 0.00 C ATOM 421 CG ARG A 30 6.062 9.415 4.347 1.00 0.00 C ATOM 422 CD ARG A 30 5.179 9.196 5.565 1.00 0.00 C ATOM 423 NE ARG A 30 4.498 10.422 5.974 1.00 0.00 N ATOM 424 CZ ARG A 30 3.454 10.443 6.797 1.00 0.00 C ATOM 425 NH1 ARG A 30 2.975 9.312 7.295 1.00 0.00 N ATOM 426 NH2 ARG A 30 2.888 11.598 7.122 1.00 0.00 N ATOM 0 H ARG A 30 4.290 9.276 0.753 1.00 0.00 H new ATOM 0 HA ARG A 30 6.730 9.932 1.598 1.00 0.00 H new ATOM 0 HB2 ARG A 30 4.765 10.356 2.930 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.462 8.645 3.154 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.830 8.643 4.310 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.576 10.372 4.436 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.439 8.427 5.343 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.786 8.825 6.391 1.00 0.00 H new ATOM 0 HE ARG A 30 4.842 11.310 5.608 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.407 8.422 7.047 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.174 9.332 7.926 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.254 12.470 6.740 1.00 0.00 H new ATOM 0 HH22 ARG A 30 2.087 11.614 7.753 1.00 0.00 H new ATOM 440 N LEU A 31 6.450 6.684 1.735 1.00 0.00 N ATOM 441 CA LEU A 31 7.188 5.440 1.928 1.00 0.00 C ATOM 442 C LEU A 31 8.154 5.195 0.774 1.00 0.00 C ATOM 443 O LEU A 31 9.366 5.115 0.972 1.00 0.00 O ATOM 444 CB LEU A 31 6.219 4.263 2.056 1.00 0.00 C ATOM 445 CG LEU A 31 5.323 4.263 3.295 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.322 3.120 3.229 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.162 4.167 4.560 1.00 0.00 C ATOM 0 H LEU A 31 5.523 6.565 1.326 1.00 0.00 H new ATOM 0 HA LEU A 31 7.766 5.529 2.848 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.582 4.245 1.172 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.798 3.339 2.051 1.00 0.00 H new ATOM 0 HG LEU A 31 4.770 5.202 3.320 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.693 3.136 4.119 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.699 3.233 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.856 2.171 3.179 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.508 4.168 5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.742 3.244 4.543 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.839 5.020 4.613 1.00 0.00 H new ATOM 459 N ALA A 32 7.609 5.079 -0.433 1.00 0.00 N ATOM 460 CA ALA A 32 8.423 4.847 -1.620 1.00 0.00 C ATOM 461 C ALA A 32 9.746 5.600 -1.533 1.00 0.00 C ATOM 462 O ALA A 32 10.811 5.035 -1.786 1.00 0.00 O ATOM 463 CB ALA A 32 7.660 5.258 -2.871 1.00 0.00 C ATOM 0 H ALA A 32 6.607 5.142 -0.614 1.00 0.00 H new ATOM 0 HA ALA A 32 8.645 3.781 -1.677 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.279 5.080 -3.750 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.744 4.672 -2.947 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.409 6.317 -2.813 1.00 0.00 H new ATOM 469 N LEU A 33 9.672 6.877 -1.176 1.00 0.00 N ATOM 470 CA LEU A 33 10.865 7.708 -1.057 1.00 0.00 C ATOM 471 C LEU A 33 11.829 7.133 -0.023 1.00 0.00 C ATOM 472 O LEU A 33 13.043 7.122 -0.228 1.00 0.00 O ATOM 473 CB LEU A 33 10.479 9.137 -0.671 1.00 0.00 C ATOM 474 CG LEU A 33 9.917 10.007 -1.796 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.401 9.896 -1.851 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.341 11.457 -1.611 1.00 0.00 C ATOM 0 H LEU A 33 8.799 7.360 -0.964 1.00 0.00 H new ATOM 0 HA LEU A 33 11.365 7.722 -2.025 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.739 9.089 0.128 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.360 9.632 -0.261 1.00 0.00 H new ATOM 0 HG LEU A 33 10.321 9.649 -2.743 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.019 10.522 -2.658 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.118 8.859 -2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 33 7.977 10.227 -0.903 1.00 0.00 H new ATOM 0 HD21 LEU A 33 9.932 12.062 -2.421 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.966 11.827 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.429 11.522 -1.623 1.00 0.00 H new ATOM 488 N LYS A 34 11.279 6.655 1.088 1.00 0.00 N ATOM 489 CA LYS A 34 12.088 6.074 2.153 1.00 0.00 C ATOM 490 C LYS A 34 12.656 4.723 1.731 1.00 0.00 C ATOM 491 O LYS A 34 13.730 4.322 2.180 1.00 0.00 O ATOM 492 CB LYS A 34 11.253 5.914 3.426 1.00 0.00 C ATOM 493 CG LYS A 34 12.050 5.409 4.616 1.00 0.00 C ATOM 494 CD LYS A 34 11.154 4.736 5.642 1.00 0.00 C ATOM 495 CE LYS A 34 11.913 3.692 6.446 1.00 0.00 C ATOM 496 NZ LYS A 34 11.250 3.404 7.748 1.00 0.00 N ATOM 0 H LYS A 34 10.276 6.658 1.274 1.00 0.00 H new ATOM 0 HA LYS A 34 12.919 6.750 2.353 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.806 6.875 3.680 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.433 5.223 3.229 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.808 4.704 4.275 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.577 6.242 5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.743 5.487 6.316 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.311 4.265 5.137 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.989 2.772 5.866 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.930 4.041 6.626 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.798 2.688 8.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.200 4.276 8.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.288 3.047 7.576 1.00 0.00 H new ATOM 510 N PHE A 35 11.928 4.026 0.864 1.00 0.00 N ATOM 511 CA PHE A 35 12.360 2.719 0.381 1.00 0.00 C ATOM 512 C PHE A 35 12.872 2.812 -1.054 1.00 0.00 C ATOM 513 O PHE A 35 13.110 1.796 -1.707 1.00 0.00 O ATOM 514 CB PHE A 35 11.207 1.717 0.458 1.00 0.00 C ATOM 515 CG PHE A 35 10.749 1.437 1.861 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.371 0.463 2.625 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.696 2.147 2.415 1.00 0.00 C ATOM 518 CE1 PHE A 35 10.953 0.203 3.917 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.274 1.892 3.706 1.00 0.00 C ATOM 520 CZ PHE A 35 9.902 0.918 4.458 1.00 0.00 C ATOM 0 H PHE A 35 11.037 4.344 0.482 1.00 0.00 H new ATOM 0 HA PHE A 35 13.175 2.375 1.018 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.366 2.098 -0.121 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.517 0.782 -0.008 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.192 -0.100 2.206 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.200 2.908 1.831 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.447 -0.558 4.502 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.453 2.454 4.127 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.572 0.716 5.466 1.00 0.00 H new ATOM 530 N HIS A 36 13.040 4.039 -1.537 1.00 0.00 N ATOM 531 CA HIS A 36 13.524 4.266 -2.894 1.00 0.00 C ATOM 532 C HIS A 36 15.001 3.901 -3.013 1.00 0.00 C ATOM 533 O HIS A 36 15.803 4.160 -2.115 1.00 0.00 O ATOM 534 CB HIS A 36 13.314 5.727 -3.296 1.00 0.00 C ATOM 535 CG HIS A 36 13.088 5.917 -4.764 1.00 0.00 C ATOM 536 ND1 HIS A 36 14.061 6.385 -5.621 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.991 5.699 -5.526 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.572 6.448 -6.847 1.00 0.00 C ATOM 539 NE2 HIS A 36 12.317 6.037 -6.816 1.00 0.00 N ATOM 0 H HIS A 36 12.848 4.891 -1.009 1.00 0.00 H new ATOM 0 HA HIS A 36 12.954 3.626 -3.568 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.459 6.126 -2.750 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.185 6.308 -2.993 1.00 0.00 H new ATOM 0 HD2 HIS A 36 11.036 5.328 -5.183 1.00 0.00 H new ATOM 0 HE1 HIS A 36 14.107 6.779 -7.725 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.692 5.980 -7.620 1.00 0.00 H new ATOM 547 N PRO A 37 15.370 3.285 -4.145 1.00 0.00 N ATOM 548 CA PRO A 37 16.752 2.871 -4.407 1.00 0.00 C ATOM 549 C PRO A 37 17.679 4.059 -4.636 1.00 0.00 C ATOM 550 O PRO A 37 18.851 4.026 -4.258 1.00 0.00 O ATOM 551 CB PRO A 37 16.635 2.030 -5.681 1.00 0.00 C ATOM 552 CG PRO A 37 15.408 2.537 -6.358 1.00 0.00 C ATOM 553 CD PRO A 37 14.467 2.945 -5.258 1.00 0.00 C ATOM 0 HA PRO A 37 17.183 2.333 -3.563 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.514 2.147 -6.315 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.549 0.969 -5.448 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.641 3.382 -7.006 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.962 1.766 -6.987 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.852 3.796 -5.551 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.787 2.136 -4.991 1.00 0.00 H new ATOM 561 N ASP A 38 17.149 5.107 -5.256 1.00 0.00 N ATOM 562 CA ASP A 38 17.929 6.307 -5.534 1.00 0.00 C ATOM 563 C ASP A 38 18.210 7.082 -4.250 1.00 0.00 C ATOM 564 O ASP A 38 19.323 7.559 -4.031 1.00 0.00 O ATOM 565 CB ASP A 38 17.193 7.200 -6.533 1.00 0.00 C ATOM 566 CG ASP A 38 17.028 6.540 -7.888 1.00 0.00 C ATOM 567 OD1 ASP A 38 16.503 5.408 -7.937 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.424 7.156 -8.900 1.00 0.00 O ATOM 0 H ASP A 38 16.181 5.150 -5.576 1.00 0.00 H new ATOM 0 HA ASP A 38 18.881 5.999 -5.967 1.00 0.00 H new ATOM 0 HB2 ASP A 38 16.211 7.454 -6.134 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.740 8.135 -6.652 1.00 0.00 H new ATOM 573 N LYS A 39 17.192 7.205 -3.405 1.00 0.00 N ATOM 574 CA LYS A 39 17.327 7.922 -2.143 1.00 0.00 C ATOM 575 C LYS A 39 17.973 7.037 -1.081 1.00 0.00 C ATOM 576 O LYS A 39 18.977 7.410 -0.476 1.00 0.00 O ATOM 577 CB LYS A 39 15.958 8.403 -1.656 1.00 0.00 C ATOM 578 CG LYS A 39 15.339 9.470 -2.543 1.00 0.00 C ATOM 579 CD LYS A 39 14.391 10.364 -1.760 1.00 0.00 C ATOM 580 CE LYS A 39 14.284 11.746 -2.387 1.00 0.00 C ATOM 581 NZ LYS A 39 15.541 12.528 -2.223 1.00 0.00 N ATOM 0 H LYS A 39 16.264 6.817 -3.572 1.00 0.00 H new ATOM 0 HA LYS A 39 17.970 8.786 -2.312 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.281 7.551 -1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.059 8.796 -0.644 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.127 10.076 -2.989 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.800 8.995 -3.363 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.404 9.904 -1.721 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.741 10.456 -0.732 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.054 11.647 -3.448 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.456 12.289 -1.931 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.335 13.542 -2.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.939 12.351 -1.279 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.228 12.238 -2.948 1.00 0.00 H new ATOM 595 N ASN A 40 17.390 5.863 -0.861 1.00 0.00 N ATOM 596 CA ASN A 40 17.910 4.924 0.127 1.00 0.00 C ATOM 597 C ASN A 40 18.974 4.020 -0.489 1.00 0.00 C ATOM 598 O ASN A 40 18.707 3.292 -1.445 1.00 0.00 O ATOM 599 CB ASN A 40 16.774 4.076 0.702 1.00 0.00 C ATOM 600 CG ASN A 40 17.132 3.464 2.043 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.287 3.504 2.468 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.140 2.892 2.715 1.00 0.00 N ATOM 0 H ASN A 40 16.557 5.539 -1.353 1.00 0.00 H new ATOM 0 HA ASN A 40 18.369 5.498 0.932 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.883 4.694 0.814 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.525 3.282 -0.002 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.320 2.462 3.622 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.198 2.882 2.324 1.00 0.00 H new ATOM 650 N GLY A 44 17.494 -4.288 0.800 1.00 0.00 N ATOM 651 CA GLY A 44 16.219 -4.666 1.381 1.00 0.00 C ATOM 652 C GLY A 44 15.168 -3.585 1.226 1.00 0.00 C ATOM 653 O GLY A 44 14.152 -3.787 0.562 1.00 0.00 O ATOM 0 HA2 GLY A 44 15.865 -5.583 0.909 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.357 -4.886 2.440 1.00 0.00 H new ATOM 657 N ALA A 45 15.411 -2.433 1.843 1.00 0.00 N ATOM 658 CA ALA A 45 14.478 -1.315 1.770 1.00 0.00 C ATOM 659 C ALA A 45 13.807 -1.248 0.402 1.00 0.00 C ATOM 660 O ALA A 45 12.583 -1.154 0.302 1.00 0.00 O ATOM 661 CB ALA A 45 15.195 -0.008 2.072 1.00 0.00 C ATOM 0 H ALA A 45 16.246 -2.250 2.399 1.00 0.00 H new ATOM 0 HA ALA A 45 13.702 -1.473 2.519 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.486 0.818 2.014 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.622 -0.050 3.074 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.992 0.146 1.345 1.00 0.00 H new ATOM 667 N THR A 46 14.616 -1.297 -0.652 1.00 0.00 N ATOM 668 CA THR A 46 14.101 -1.240 -2.014 1.00 0.00 C ATOM 669 C THR A 46 13.175 -2.417 -2.301 1.00 0.00 C ATOM 670 O THR A 46 12.067 -2.237 -2.804 1.00 0.00 O ATOM 671 CB THR A 46 15.244 -1.236 -3.047 1.00 0.00 C ATOM 672 OG1 THR A 46 16.405 -0.611 -2.491 1.00 0.00 O ATOM 673 CG2 THR A 46 14.826 -0.505 -4.314 1.00 0.00 C ATOM 0 H THR A 46 15.631 -1.376 -0.588 1.00 0.00 H new ATOM 0 HA THR A 46 13.539 -0.310 -2.101 1.00 0.00 H new ATOM 0 HB THR A 46 15.476 -2.270 -3.303 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.966 -1.289 -2.060 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.649 -0.515 -5.028 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.960 -1.001 -4.751 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.569 0.526 -4.071 1.00 0.00 H new ATOM 681 N GLU A 47 13.638 -3.620 -1.978 1.00 0.00 N ATOM 682 CA GLU A 47 12.849 -4.826 -2.203 1.00 0.00 C ATOM 683 C GLU A 47 11.413 -4.634 -1.725 1.00 0.00 C ATOM 684 O GLU A 47 10.501 -5.332 -2.168 1.00 0.00 O ATOM 685 CB GLU A 47 13.483 -6.018 -1.481 1.00 0.00 C ATOM 686 CG GLU A 47 14.661 -6.623 -2.225 1.00 0.00 C ATOM 687 CD GLU A 47 14.862 -8.092 -1.903 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.271 -8.938 -2.606 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.609 -8.394 -0.949 1.00 0.00 O ATOM 0 H GLU A 47 14.554 -3.786 -1.560 1.00 0.00 H new ATOM 0 HA GLU A 47 12.833 -5.025 -3.275 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.813 -5.699 -0.492 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.725 -6.787 -1.331 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.506 -6.508 -3.298 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.567 -6.072 -1.973 1.00 0.00 H new ATOM 696 N ALA A 48 11.219 -3.682 -0.819 1.00 0.00 N ATOM 697 CA ALA A 48 9.895 -3.396 -0.282 1.00 0.00 C ATOM 698 C ALA A 48 9.137 -2.423 -1.180 1.00 0.00 C ATOM 699 O ALA A 48 7.954 -2.617 -1.463 1.00 0.00 O ATOM 700 CB ALA A 48 10.006 -2.837 1.129 1.00 0.00 C ATOM 0 H ALA A 48 11.963 -3.095 -0.441 1.00 0.00 H new ATOM 0 HA ALA A 48 9.335 -4.330 -0.247 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.009 -2.628 1.517 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.500 -3.566 1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.589 -1.916 1.111 1.00 0.00 H new ATOM 706 N PHE A 49 9.825 -1.377 -1.624 1.00 0.00 N ATOM 707 CA PHE A 49 9.216 -0.373 -2.489 1.00 0.00 C ATOM 708 C PHE A 49 8.278 -1.024 -3.502 1.00 0.00 C ATOM 709 O PHE A 49 7.225 -0.478 -3.832 1.00 0.00 O ATOM 710 CB PHE A 49 10.297 0.427 -3.218 1.00 0.00 C ATOM 711 CG PHE A 49 9.748 1.407 -4.215 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.514 2.004 -4.012 1.00 0.00 C ATOM 713 CD2 PHE A 49 10.466 1.732 -5.354 1.00 0.00 C ATOM 714 CE1 PHE A 49 8.007 2.907 -4.927 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.964 2.635 -6.272 1.00 0.00 C ATOM 716 CZ PHE A 49 8.732 3.222 -6.059 1.00 0.00 C ATOM 0 H PHE A 49 10.804 -1.202 -1.399 1.00 0.00 H new ATOM 0 HA PHE A 49 8.633 0.304 -1.864 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.897 0.965 -2.484 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.966 -0.264 -3.731 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.942 1.761 -3.129 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.429 1.275 -5.527 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.044 3.366 -4.757 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.535 2.881 -7.155 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.337 3.926 -6.776 1.00 0.00 H new ATOM 726 N LYS A 50 8.669 -2.195 -3.993 1.00 0.00 N ATOM 727 CA LYS A 50 7.866 -2.923 -4.968 1.00 0.00 C ATOM 728 C LYS A 50 6.521 -3.326 -4.372 1.00 0.00 C ATOM 729 O LYS A 50 5.477 -3.155 -5.000 1.00 0.00 O ATOM 730 CB LYS A 50 8.616 -4.166 -5.451 1.00 0.00 C ATOM 731 CG LYS A 50 9.551 -3.898 -6.618 1.00 0.00 C ATOM 732 CD LYS A 50 8.813 -3.945 -7.945 1.00 0.00 C ATOM 733 CE LYS A 50 8.044 -2.658 -8.201 1.00 0.00 C ATOM 734 NZ LYS A 50 7.931 -2.360 -9.656 1.00 0.00 N ATOM 0 H LYS A 50 9.538 -2.661 -3.731 1.00 0.00 H new ATOM 0 HA LYS A 50 7.684 -2.264 -5.817 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.192 -4.577 -4.622 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.892 -4.926 -5.744 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.018 -2.921 -6.495 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.353 -4.636 -6.620 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.525 -4.111 -8.753 1.00 0.00 H new ATOM 0 HD3 LYS A 50 8.123 -4.789 -7.949 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.047 -2.738 -7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.544 -1.830 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.400 -1.475 -9.789 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 8.882 -2.258 -10.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 7.431 -3.138 -10.132 1.00 0.00 H new ATOM 748 N ALA A 51 6.555 -3.862 -3.157 1.00 0.00 N ATOM 749 CA ALA A 51 5.338 -4.287 -2.475 1.00 0.00 C ATOM 750 C ALA A 51 4.420 -3.100 -2.201 1.00 0.00 C ATOM 751 O ALA A 51 3.237 -3.127 -2.542 1.00 0.00 O ATOM 752 CB ALA A 51 5.682 -5.001 -1.177 1.00 0.00 C ATOM 0 H ALA A 51 7.412 -4.013 -2.624 1.00 0.00 H new ATOM 0 HA ALA A 51 4.808 -4.980 -3.128 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.764 -5.312 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.292 -5.878 -1.395 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.237 -4.325 -0.526 1.00 0.00 H new ATOM 758 N ILE A 52 4.972 -2.062 -1.583 1.00 0.00 N ATOM 759 CA ILE A 52 4.202 -0.866 -1.264 1.00 0.00 C ATOM 760 C ILE A 52 3.195 -0.551 -2.364 1.00 0.00 C ATOM 761 O ILE A 52 1.987 -0.528 -2.128 1.00 0.00 O ATOM 762 CB ILE A 52 5.118 0.355 -1.056 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.331 -0.029 -0.206 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.345 1.492 -0.404 1.00 0.00 C ATOM 765 CD1 ILE A 52 7.009 1.155 0.448 1.00 0.00 C ATOM 0 H ILE A 52 5.949 -2.025 -1.293 1.00 0.00 H new ATOM 0 HA ILE A 52 3.669 -1.072 -0.336 1.00 0.00 H new ATOM 0 HB ILE A 52 5.473 0.695 -2.029 1.00 0.00 H new ATOM 0 HG12 ILE A 52 6.016 -0.730 0.567 1.00 0.00 H new ATOM 0 HG13 ILE A 52 7.054 -0.551 -0.833 1.00 0.00 H new ATOM 0 HG21 ILE A 52 5.006 2.348 -0.264 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.511 1.779 -1.044 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.964 1.165 0.564 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.860 0.809 1.035 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.355 1.846 -0.320 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.301 1.664 1.102 1.00 0.00 H new ATOM 777 N GLY A 53 3.700 -0.309 -3.570 1.00 0.00 N ATOM 778 CA GLY A 53 2.831 0.000 -4.690 1.00 0.00 C ATOM 779 C GLY A 53 1.632 -0.925 -4.767 1.00 0.00 C ATOM 780 O GLY A 53 0.488 -0.482 -4.661 1.00 0.00 O ATOM 0 H GLY A 53 4.696 -0.322 -3.791 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.486 1.030 -4.605 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.400 -0.070 -5.617 1.00 0.00 H new ATOM 784 N THR A 54 1.894 -2.216 -4.953 1.00 0.00 N ATOM 785 CA THR A 54 0.828 -3.205 -5.047 1.00 0.00 C ATOM 786 C THR A 54 -0.345 -2.837 -4.146 1.00 0.00 C ATOM 787 O THR A 54 -1.495 -2.818 -4.585 1.00 0.00 O ATOM 788 CB THR A 54 1.331 -4.610 -4.666 1.00 0.00 C ATOM 789 OG1 THR A 54 2.515 -4.925 -5.408 1.00 0.00 O ATOM 790 CG2 THR A 54 0.263 -5.659 -4.937 1.00 0.00 C ATOM 0 H THR A 54 2.835 -2.600 -5.041 1.00 0.00 H new ATOM 0 HA THR A 54 0.496 -3.214 -6.085 1.00 0.00 H new ATOM 0 HB THR A 54 1.559 -4.613 -3.600 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.829 -5.819 -5.159 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.641 -6.643 -4.660 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.626 -5.433 -4.349 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.008 -5.653 -5.997 1.00 0.00 H new ATOM 798 N ALA A 55 -0.048 -2.544 -2.884 1.00 0.00 N ATOM 799 CA ALA A 55 -1.078 -2.173 -1.923 1.00 0.00 C ATOM 800 C ALA A 55 -1.832 -0.927 -2.378 1.00 0.00 C ATOM 801 O ALA A 55 -3.054 -0.948 -2.523 1.00 0.00 O ATOM 802 CB ALA A 55 -0.463 -1.947 -0.550 1.00 0.00 C ATOM 0 H ALA A 55 0.898 -2.557 -2.504 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.792 -2.994 -1.859 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.245 -1.670 0.158 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.023 -2.863 -0.214 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.273 -1.146 -0.609 1.00 0.00 H new ATOM 808 N TYR A 56 -1.095 0.155 -2.602 1.00 0.00 N ATOM 809 CA TYR A 56 -1.694 1.411 -3.038 1.00 0.00 C ATOM 810 C TYR A 56 -2.519 1.210 -4.306 1.00 0.00 C ATOM 811 O TYR A 56 -3.710 1.518 -4.340 1.00 0.00 O ATOM 812 CB TYR A 56 -0.609 2.460 -3.283 1.00 0.00 C ATOM 813 CG TYR A 56 -1.146 3.779 -3.791 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.767 4.677 -2.931 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.031 4.129 -5.131 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.259 5.882 -3.391 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.519 5.333 -5.600 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.133 6.206 -4.726 1.00 0.00 C ATOM 819 OH TYR A 56 -2.621 7.407 -5.188 1.00 0.00 O ATOM 0 H TYR A 56 -0.082 0.188 -2.489 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.357 1.762 -2.247 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.065 2.632 -2.354 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.108 2.067 -4.004 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.866 4.428 -1.885 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.551 3.447 -5.818 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.740 6.568 -2.709 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.420 5.589 -6.644 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.451 7.481 -6.150 1.00 0.00 H new ATOM 829 N ALA A 57 -1.876 0.689 -5.346 1.00 0.00 N ATOM 830 CA ALA A 57 -2.548 0.444 -6.615 1.00 0.00 C ATOM 831 C ALA A 57 -3.952 -0.109 -6.394 1.00 0.00 C ATOM 832 O ALA A 57 -4.856 0.125 -7.197 1.00 0.00 O ATOM 833 CB ALA A 57 -1.730 -0.514 -7.469 1.00 0.00 C ATOM 0 H ALA A 57 -0.890 0.429 -5.334 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.638 1.395 -7.140 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.244 -0.688 -8.414 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.749 -0.081 -7.664 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.610 -1.460 -6.941 1.00 0.00 H new ATOM 839 N VAL A 58 -4.128 -0.845 -5.302 1.00 0.00 N ATOM 840 CA VAL A 58 -5.423 -1.431 -4.975 1.00 0.00 C ATOM 841 C VAL A 58 -6.344 -0.404 -4.328 1.00 0.00 C ATOM 842 O VAL A 58 -7.314 0.048 -4.938 1.00 0.00 O ATOM 843 CB VAL A 58 -5.271 -2.637 -4.028 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.619 -3.032 -3.445 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.631 -3.809 -4.757 1.00 0.00 C ATOM 0 H VAL A 58 -3.390 -1.050 -4.628 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.863 -1.769 -5.913 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.617 -2.350 -3.205 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.491 -3.885 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.033 -2.193 -2.885 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.300 -3.301 -4.253 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.531 -4.652 -4.073 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.257 -4.098 -5.601 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.645 -3.517 -5.120 1.00 0.00 H new ATOM 855 N LEU A 59 -6.035 -0.037 -3.089 1.00 0.00 N ATOM 856 CA LEU A 59 -6.834 0.939 -2.357 1.00 0.00 C ATOM 857 C LEU A 59 -7.110 2.170 -3.215 1.00 0.00 C ATOM 858 O LEU A 59 -8.260 2.571 -3.391 1.00 0.00 O ATOM 859 CB LEU A 59 -6.120 1.351 -1.069 1.00 0.00 C ATOM 860 CG LEU A 59 -5.629 0.208 -0.179 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.185 0.739 1.175 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.718 -0.842 -0.011 1.00 0.00 C ATOM 0 H LEU A 59 -5.236 -0.401 -2.570 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.787 0.474 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.264 1.972 -1.334 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.797 1.974 -0.485 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.771 -0.260 -0.662 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.839 -0.088 1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.373 1.453 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -6.024 1.233 1.665 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.351 -1.648 0.625 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.595 -0.386 0.449 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.989 -1.245 -0.987 1.00 0.00 H new ATOM 874 N SER A 60 -6.047 2.763 -3.748 1.00 0.00 N ATOM 875 CA SER A 60 -6.174 3.949 -4.587 1.00 0.00 C ATOM 876 C SER A 60 -7.338 3.803 -5.562 1.00 0.00 C ATOM 877 O SER A 60 -7.929 4.792 -5.993 1.00 0.00 O ATOM 878 CB SER A 60 -4.876 4.196 -5.358 1.00 0.00 C ATOM 879 OG SER A 60 -4.589 3.119 -6.232 1.00 0.00 O ATOM 0 H SER A 60 -5.088 2.442 -3.614 1.00 0.00 H new ATOM 0 HA SER A 60 -6.371 4.803 -3.939 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.959 5.120 -5.930 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.052 4.328 -4.657 1.00 0.00 H new ATOM 0 HG SER A 60 -4.155 2.398 -5.731 1.00 0.00 H new ATOM 885 N ASN A 61 -7.661 2.560 -5.906 1.00 0.00 N ATOM 886 CA ASN A 61 -8.753 2.283 -6.831 1.00 0.00 C ATOM 887 C ASN A 61 -10.060 2.054 -6.077 1.00 0.00 C ATOM 888 O ASN A 61 -10.085 1.480 -4.988 1.00 0.00 O ATOM 889 CB ASN A 61 -8.425 1.059 -7.689 1.00 0.00 C ATOM 890 CG ASN A 61 -7.632 1.418 -8.930 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.658 2.561 -9.388 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.921 0.441 -9.481 1.00 0.00 N ATOM 0 H ASN A 61 -7.182 1.729 -5.558 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.875 3.151 -7.479 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.858 0.343 -7.094 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.352 0.566 -7.983 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.367 0.623 -10.318 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.929 -0.491 -9.067 1.00 0.00 H new ATOM 899 N PRO A 62 -11.173 2.513 -6.669 1.00 0.00 N ATOM 900 CA PRO A 62 -12.504 2.369 -6.072 1.00 0.00 C ATOM 901 C PRO A 62 -12.984 0.921 -6.068 1.00 0.00 C ATOM 902 O PRO A 62 -13.592 0.463 -5.102 1.00 0.00 O ATOM 903 CB PRO A 62 -13.393 3.225 -6.976 1.00 0.00 C ATOM 904 CG PRO A 62 -12.686 3.252 -8.287 1.00 0.00 C ATOM 905 CD PRO A 62 -11.218 3.207 -7.967 1.00 0.00 C ATOM 0 HA PRO A 62 -12.517 2.675 -5.026 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.390 2.795 -7.073 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.517 4.230 -6.572 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.977 2.402 -8.905 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.936 4.153 -8.847 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.657 2.668 -8.730 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.790 4.207 -7.903 1.00 0.00 H new ATOM 913 N GLU A 63 -12.707 0.208 -7.155 1.00 0.00 N ATOM 914 CA GLU A 63 -13.112 -1.188 -7.276 1.00 0.00 C ATOM 915 C GLU A 63 -12.197 -2.093 -6.456 1.00 0.00 C ATOM 916 O GLU A 63 -12.658 -2.858 -5.610 1.00 0.00 O ATOM 917 CB GLU A 63 -13.095 -1.621 -8.743 1.00 0.00 C ATOM 918 CG GLU A 63 -14.023 -0.808 -9.629 1.00 0.00 C ATOM 919 CD GLU A 63 -15.448 -1.327 -9.614 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.637 -2.531 -9.341 1.00 0.00 O ATOM 921 OE2 GLU A 63 -16.374 -0.530 -9.874 1.00 0.00 O ATOM 0 H GLU A 63 -12.204 0.573 -7.964 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.127 -1.280 -6.889 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -12.078 -1.539 -9.125 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.375 -2.672 -8.806 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -14.015 0.231 -9.300 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.646 -0.821 -10.652 1.00 0.00 H new ATOM 928 N LYS A 64 -10.897 -2.000 -6.714 1.00 0.00 N ATOM 929 CA LYS A 64 -9.915 -2.808 -6.001 1.00 0.00 C ATOM 930 C LYS A 64 -9.959 -2.522 -4.503 1.00 0.00 C ATOM 931 O LYS A 64 -9.485 -3.321 -3.696 1.00 0.00 O ATOM 932 CB LYS A 64 -8.510 -2.535 -6.542 1.00 0.00 C ATOM 933 CG LYS A 64 -8.450 -2.429 -8.056 1.00 0.00 C ATOM 934 CD LYS A 64 -7.103 -2.883 -8.594 1.00 0.00 C ATOM 935 CE LYS A 64 -7.097 -4.374 -8.895 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.667 -5.176 -7.716 1.00 0.00 N ATOM 0 H LYS A 64 -10.499 -1.372 -7.412 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.161 -3.858 -6.160 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.136 -1.608 -6.106 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.843 -3.333 -6.215 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -9.242 -3.036 -8.496 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.634 -1.398 -8.357 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.866 -2.327 -9.501 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.324 -2.654 -7.867 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -8.095 -4.686 -9.202 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.429 -4.573 -9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.562 -6.173 -7.994 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -5.757 -4.816 -7.365 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.382 -5.100 -6.965 1.00 0.00 H new ATOM 950 N ARG A 65 -10.533 -1.380 -4.140 1.00 0.00 N ATOM 951 CA ARG A 65 -10.640 -0.990 -2.740 1.00 0.00 C ATOM 952 C ARG A 65 -11.862 -1.631 -2.088 1.00 0.00 C ATOM 953 O ARG A 65 -11.750 -2.310 -1.067 1.00 0.00 O ATOM 954 CB ARG A 65 -10.723 0.532 -2.617 1.00 0.00 C ATOM 955 CG ARG A 65 -11.105 1.011 -1.226 1.00 0.00 C ATOM 956 CD ARG A 65 -11.430 2.497 -1.218 1.00 0.00 C ATOM 957 NE ARG A 65 -11.883 2.951 0.094 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.297 4.189 0.340 1.00 0.00 C ATOM 959 NH1 ARG A 65 -12.314 5.092 -0.631 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.695 4.527 1.560 1.00 0.00 N ATOM 0 H ARG A 65 -10.931 -0.709 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.747 -1.341 -2.223 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.759 0.963 -2.888 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.453 0.907 -3.334 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.967 0.447 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.286 0.813 -0.534 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.546 3.063 -1.512 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -12.202 2.703 -1.959 1.00 0.00 H new ATOM 0 HE ARG A 65 -11.881 2.281 0.863 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -12.009 4.837 -1.570 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.633 6.042 -0.439 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.683 3.836 2.310 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.013 5.478 1.748 1.00 0.00 H new ATOM 974 N LYS A 66 -13.028 -1.410 -2.685 1.00 0.00 N ATOM 975 CA LYS A 66 -14.272 -1.966 -2.164 1.00 0.00 C ATOM 976 C LYS A 66 -14.211 -3.489 -2.121 1.00 0.00 C ATOM 977 O LYS A 66 -14.753 -4.115 -1.211 1.00 0.00 O ATOM 978 CB LYS A 66 -15.454 -1.516 -3.025 1.00 0.00 C ATOM 979 CG LYS A 66 -15.582 -2.281 -4.331 1.00 0.00 C ATOM 980 CD LYS A 66 -16.964 -2.119 -4.940 1.00 0.00 C ATOM 981 CE LYS A 66 -17.271 -0.660 -5.245 1.00 0.00 C ATOM 982 NZ LYS A 66 -16.570 -0.190 -6.471 1.00 0.00 N ATOM 0 H LYS A 66 -13.138 -0.850 -3.530 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.409 -1.597 -1.147 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.375 -1.633 -2.453 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.349 -0.454 -3.245 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -14.829 -1.928 -5.036 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.383 -3.338 -4.155 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.030 -2.705 -5.857 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.714 -2.514 -4.254 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.346 -0.534 -5.371 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -16.974 -0.042 -4.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.110 0.586 -6.904 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -15.619 0.148 -6.219 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.490 -0.975 -7.148 1.00 0.00 H new ATOM 996 N GLN A 67 -13.546 -4.079 -3.110 1.00 0.00 N ATOM 997 CA GLN A 67 -13.414 -5.529 -3.183 1.00 0.00 C ATOM 998 C GLN A 67 -12.474 -6.045 -2.099 1.00 0.00 C ATOM 999 O GLN A 67 -12.650 -7.151 -1.586 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.901 -5.947 -4.561 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.386 -5.911 -4.683 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.711 -7.022 -3.902 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.348 -8.006 -3.525 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.416 -6.870 -3.655 1.00 0.00 N ATOM 0 H GLN A 67 -13.091 -3.575 -3.871 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.399 -5.967 -3.022 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.251 -6.956 -4.779 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.334 -5.290 -5.315 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.108 -5.990 -5.734 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.019 -4.948 -4.328 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.928 -6.038 -3.987 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.909 -7.585 -3.134 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.476 -5.239 -1.755 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.506 -5.615 -0.733 1.00 0.00 C ATOM 1015 C TYR A 68 -11.083 -5.418 0.665 1.00 0.00 C ATOM 1016 O TYR A 68 -10.538 -5.916 1.650 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.225 -4.794 -0.889 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.412 -4.694 0.381 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.848 -5.824 0.960 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.208 -3.469 1.004 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.105 -5.738 2.121 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.465 -3.372 2.165 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.916 -4.509 2.719 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.176 -4.418 3.876 1.00 0.00 O ATOM 0 H TYR A 68 -11.317 -4.320 -2.169 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.271 -6.671 -0.863 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.610 -5.241 -1.670 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.485 -3.790 -1.224 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.993 -6.787 0.494 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.638 -2.577 0.573 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.675 -6.627 2.558 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.315 -2.412 2.636 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.359 -3.561 4.315 1.00 0.00 H new