USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=11 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+ 180:sc= 0 (180deg=0) 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= -2.97! C(o=-3!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 ASN :FLIP amide:sc= -1.17 F(o=-2.3,f=-1.2) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0326 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0.00174 USER MOD Single : A 56 TYR OH : rot 180:sc= -0.413 USER MOD Single : A 60 SER OG : rot -72:sc= 0.132 USER MOD Single : A 61 ASN : amide:sc= 0.736 K(o=0.74,f=-0.34) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -1.54 K(o=-1.5,f=-3.3!) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -2.169 -7.375 5.194 1.00 0.00 N ATOM 67 CA ASP A 8 -3.146 -6.378 4.774 1.00 0.00 C ATOM 68 C ASP A 8 -2.460 -5.201 4.088 1.00 0.00 C ATOM 69 O ASP A 8 -1.384 -4.769 4.502 1.00 0.00 O ATOM 70 CB ASP A 8 -3.952 -5.885 5.976 1.00 0.00 C ATOM 71 CG ASP A 8 -3.155 -5.929 7.265 1.00 0.00 C ATOM 72 OD1 ASP A 8 -1.909 -5.892 7.194 1.00 0.00 O ATOM 73 OD2 ASP A 8 -3.778 -5.999 8.345 1.00 0.00 O ATOM 0 HA ASP A 8 -3.823 -6.847 4.060 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -4.284 -4.863 5.792 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.848 -6.497 6.085 1.00 0.00 H new ATOM 78 N TYR A 9 -3.089 -4.687 3.037 1.00 0.00 N ATOM 79 CA TYR A 9 -2.538 -3.562 2.291 1.00 0.00 C ATOM 80 C TYR A 9 -2.463 -2.313 3.165 1.00 0.00 C ATOM 81 O TYR A 9 -1.383 -1.770 3.399 1.00 0.00 O ATOM 82 CB TYR A 9 -3.389 -3.279 1.051 1.00 0.00 C ATOM 83 CG TYR A 9 -3.428 -4.428 0.069 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.265 -5.094 -0.297 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.627 -4.847 -0.493 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.295 -6.144 -1.195 1.00 0.00 C ATOM 87 CE2 TYR A 9 -4.668 -5.897 -1.390 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.499 -6.542 -1.738 1.00 0.00 C ATOM 89 OH TYR A 9 -3.535 -7.587 -2.632 1.00 0.00 O ATOM 0 H TYR A 9 -3.981 -5.032 2.682 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.528 -3.826 1.978 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.406 -3.045 1.364 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.999 -2.394 0.547 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.321 -4.786 0.128 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.544 -4.343 -0.224 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.381 -6.650 -1.470 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.609 -6.211 -1.816 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.460 -7.741 -2.918 1.00 0.00 H new ATOM 99 N TYR A 10 -3.617 -1.865 3.646 1.00 0.00 N ATOM 100 CA TYR A 10 -3.684 -0.680 4.493 1.00 0.00 C ATOM 101 C TYR A 10 -2.469 -0.599 5.412 1.00 0.00 C ATOM 102 O TYR A 10 -1.904 0.475 5.618 1.00 0.00 O ATOM 103 CB TYR A 10 -4.967 -0.694 5.325 1.00 0.00 C ATOM 104 CG TYR A 10 -6.209 -0.366 4.527 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.372 0.881 3.937 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.221 -1.305 4.363 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.505 1.185 3.208 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.357 -1.011 3.634 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.495 0.235 3.059 1.00 0.00 C ATOM 110 OH TYR A 10 -9.625 0.533 2.333 1.00 0.00 O ATOM 0 H TYR A 10 -4.519 -2.305 3.464 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.688 0.198 3.847 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.086 -1.678 5.778 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.869 0.023 6.140 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.599 1.626 4.050 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.117 -2.281 4.813 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.616 2.160 2.757 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.133 -1.753 3.515 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.222 -0.244 2.324 1.00 0.00 H new ATOM 120 N GLU A 11 -2.074 -1.743 5.962 1.00 0.00 N ATOM 121 CA GLU A 11 -0.926 -1.802 6.860 1.00 0.00 C ATOM 122 C GLU A 11 0.363 -1.464 6.118 1.00 0.00 C ATOM 123 O GLU A 11 1.105 -0.566 6.518 1.00 0.00 O ATOM 124 CB GLU A 11 -0.816 -3.191 7.492 1.00 0.00 C ATOM 125 CG GLU A 11 -1.783 -3.415 8.642 1.00 0.00 C ATOM 126 CD GLU A 11 -1.297 -4.471 9.616 1.00 0.00 C ATOM 127 OE1 GLU A 11 -0.073 -4.537 9.855 1.00 0.00 O ATOM 128 OE2 GLU A 11 -2.139 -5.231 10.138 1.00 0.00 O ATOM 0 H GLU A 11 -2.531 -2.641 5.802 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.075 -1.064 7.648 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.996 -3.945 6.725 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.203 -3.338 7.851 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.932 -2.476 9.175 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.753 -3.713 8.243 1.00 0.00 H new ATOM 135 N ILE A 12 0.624 -2.190 5.036 1.00 0.00 N ATOM 136 CA ILE A 12 1.823 -1.968 4.238 1.00 0.00 C ATOM 137 C ILE A 12 2.113 -0.479 4.084 1.00 0.00 C ATOM 138 O ILE A 12 3.262 -0.045 4.184 1.00 0.00 O ATOM 139 CB ILE A 12 1.693 -2.601 2.840 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.433 -4.104 2.958 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.949 -2.339 2.021 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.197 -4.783 1.628 1.00 0.00 C ATOM 0 H ILE A 12 0.021 -2.937 4.692 1.00 0.00 H new ATOM 0 HA ILE A 12 2.648 -2.443 4.769 1.00 0.00 H new ATOM 0 HB ILE A 12 0.846 -2.144 2.328 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.284 -4.574 3.451 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.565 -4.265 3.598 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.842 -2.793 1.036 1.00 0.00 H new ATOM 0 HG22 ILE A 12 3.095 -1.264 1.912 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.811 -2.772 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.020 -5.846 1.789 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.328 -4.340 1.142 1.00 0.00 H new ATOM 0 HD13 ILE A 12 2.073 -4.653 0.993 1.00 0.00 H new ATOM 154 N LEU A 13 1.064 0.301 3.844 1.00 0.00 N ATOM 155 CA LEU A 13 1.206 1.743 3.679 1.00 0.00 C ATOM 156 C LEU A 13 1.222 2.447 5.032 1.00 0.00 C ATOM 157 O LEU A 13 1.867 3.482 5.197 1.00 0.00 O ATOM 158 CB LEU A 13 0.065 2.292 2.820 1.00 0.00 C ATOM 159 CG LEU A 13 -0.167 1.588 1.482 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.612 1.748 1.038 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.782 2.130 0.423 1.00 0.00 C ATOM 0 H LEU A 13 0.107 -0.041 3.759 1.00 0.00 H new ATOM 0 HA LEU A 13 2.155 1.935 3.179 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.857 2.240 3.400 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.259 3.346 2.624 1.00 0.00 H new ATOM 0 HG LEU A 13 0.035 0.525 1.613 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.758 1.241 0.084 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.273 1.311 1.786 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.843 2.807 0.924 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.603 1.618 -0.522 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.612 3.199 0.295 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.812 1.962 0.737 1.00 0.00 H new ATOM 173 N GLY A 14 0.510 1.877 5.999 1.00 0.00 N ATOM 174 CA GLY A 14 0.458 2.462 7.326 1.00 0.00 C ATOM 175 C GLY A 14 -0.709 3.415 7.494 1.00 0.00 C ATOM 176 O GLY A 14 -0.526 4.572 7.872 1.00 0.00 O ATOM 0 H GLY A 14 -0.032 1.020 5.887 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.383 1.667 8.068 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.389 2.994 7.522 1.00 0.00 H new ATOM 180 N VAL A 15 -1.914 2.929 7.210 1.00 0.00 N ATOM 181 CA VAL A 15 -3.115 3.746 7.332 1.00 0.00 C ATOM 182 C VAL A 15 -4.290 2.922 7.846 1.00 0.00 C ATOM 183 O VAL A 15 -4.228 1.693 7.888 1.00 0.00 O ATOM 184 CB VAL A 15 -3.500 4.383 5.983 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.398 5.313 5.498 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.792 3.305 4.950 1.00 0.00 C ATOM 0 H VAL A 15 -2.084 1.974 6.894 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.889 4.537 8.047 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.405 4.974 6.124 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.687 5.754 4.544 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.241 6.105 6.231 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.475 4.748 5.371 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.062 3.772 4.003 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -2.906 2.686 4.809 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.617 2.683 5.296 1.00 0.00 H new ATOM 196 N SER A 16 -5.361 3.606 8.235 1.00 0.00 N ATOM 197 CA SER A 16 -6.550 2.938 8.749 1.00 0.00 C ATOM 198 C SER A 16 -7.379 2.350 7.611 1.00 0.00 C ATOM 199 O SER A 16 -7.169 2.678 6.442 1.00 0.00 O ATOM 200 CB SER A 16 -7.401 3.917 9.561 1.00 0.00 C ATOM 201 OG SER A 16 -6.907 4.047 10.883 1.00 0.00 O ATOM 0 H SER A 16 -5.429 4.623 8.204 1.00 0.00 H new ATOM 0 HA SER A 16 -6.226 2.124 9.398 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.405 4.892 9.073 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.434 3.570 9.588 1.00 0.00 H new ATOM 0 HG SER A 16 -7.467 4.679 11.381 1.00 0.00 H new ATOM 207 N ARG A 17 -8.321 1.480 7.960 1.00 0.00 N ATOM 208 CA ARG A 17 -9.180 0.845 6.969 1.00 0.00 C ATOM 209 C ARG A 17 -10.305 1.785 6.543 1.00 0.00 C ATOM 210 O ARG A 17 -11.288 1.958 7.261 1.00 0.00 O ATOM 211 CB ARG A 17 -9.769 -0.451 7.528 1.00 0.00 C ATOM 212 CG ARG A 17 -8.902 -1.673 7.273 1.00 0.00 C ATOM 213 CD ARG A 17 -9.546 -2.937 7.821 1.00 0.00 C ATOM 214 NE ARG A 17 -10.758 -3.296 7.089 1.00 0.00 N ATOM 215 CZ ARG A 17 -11.475 -4.384 7.343 1.00 0.00 C ATOM 216 NH1 ARG A 17 -11.105 -5.216 8.307 1.00 0.00 N ATOM 217 NH2 ARG A 17 -12.567 -4.642 6.634 1.00 0.00 N ATOM 0 H ARG A 17 -8.508 1.199 8.922 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.573 0.612 6.094 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -9.918 -0.339 8.602 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.752 -0.614 7.085 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -8.734 -1.784 6.202 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -7.926 -1.531 7.736 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -8.833 -3.760 7.767 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -9.788 -2.793 8.874 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.071 -2.677 6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -10.268 -5.021 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.658 -6.051 8.500 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.856 -4.004 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -13.117 -5.478 6.830 1.00 0.00 H new ATOM 231 N GLY A 18 -10.151 2.390 5.369 1.00 0.00 N ATOM 232 CA GLY A 18 -11.160 3.305 4.868 1.00 0.00 C ATOM 233 C GLY A 18 -10.597 4.679 4.563 1.00 0.00 C ATOM 234 O GLY A 18 -11.345 5.645 4.420 1.00 0.00 O ATOM 0 H GLY A 18 -9.346 2.263 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.606 2.890 3.964 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.959 3.398 5.604 1.00 0.00 H new ATOM 238 N ALA A 19 -9.275 4.766 4.465 1.00 0.00 N ATOM 239 CA ALA A 19 -8.612 6.032 4.175 1.00 0.00 C ATOM 240 C ALA A 19 -8.921 6.501 2.757 1.00 0.00 C ATOM 241 O ALA A 19 -9.056 5.690 1.840 1.00 0.00 O ATOM 242 CB ALA A 19 -7.110 5.898 4.373 1.00 0.00 C ATOM 0 H ALA A 19 -8.642 3.975 4.582 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.993 6.781 4.869 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.628 6.850 4.153 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.903 5.616 5.405 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.722 5.131 3.703 1.00 0.00 H new ATOM 248 N SER A 20 -9.033 7.814 2.585 1.00 0.00 N ATOM 249 CA SER A 20 -9.330 8.391 1.279 1.00 0.00 C ATOM 250 C SER A 20 -8.112 8.321 0.363 1.00 0.00 C ATOM 251 O SER A 20 -7.001 8.032 0.811 1.00 0.00 O ATOM 252 CB SER A 20 -9.785 9.843 1.431 1.00 0.00 C ATOM 253 OG SER A 20 -11.183 9.920 1.651 1.00 0.00 O ATOM 0 H SER A 20 -8.923 8.498 3.333 1.00 0.00 H new ATOM 0 HA SER A 20 -10.135 7.811 0.828 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.257 10.307 2.264 1.00 0.00 H new ATOM 0 HB3 SER A 20 -9.523 10.405 0.534 1.00 0.00 H new ATOM 0 HG SER A 20 -11.448 10.859 1.747 1.00 0.00 H new ATOM 259 N ASP A 21 -8.328 8.586 -0.920 1.00 0.00 N ATOM 260 CA ASP A 21 -7.248 8.555 -1.900 1.00 0.00 C ATOM 261 C ASP A 21 -6.097 9.458 -1.469 1.00 0.00 C ATOM 262 O ASP A 21 -4.929 9.092 -1.593 1.00 0.00 O ATOM 263 CB ASP A 21 -7.765 8.986 -3.274 1.00 0.00 C ATOM 264 CG ASP A 21 -8.958 8.167 -3.727 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.061 6.993 -3.315 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.787 8.701 -4.493 1.00 0.00 O ATOM 0 H ASP A 21 -9.241 8.825 -1.306 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.878 7.532 -1.964 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -8.043 10.039 -3.240 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.964 8.891 -4.007 1.00 0.00 H new ATOM 271 N GLU A 22 -6.436 10.640 -0.964 1.00 0.00 N ATOM 272 CA GLU A 22 -5.430 11.596 -0.517 1.00 0.00 C ATOM 273 C GLU A 22 -4.542 10.986 0.563 1.00 0.00 C ATOM 274 O GLU A 22 -3.315 11.056 0.486 1.00 0.00 O ATOM 275 CB GLU A 22 -6.100 12.865 0.015 1.00 0.00 C ATOM 276 CG GLU A 22 -5.264 14.119 -0.173 1.00 0.00 C ATOM 277 CD GLU A 22 -6.092 15.388 -0.102 1.00 0.00 C ATOM 278 OE1 GLU A 22 -7.061 15.507 -0.881 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.772 16.261 0.732 1.00 0.00 O ATOM 0 H GLU A 22 -7.399 10.958 -0.854 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.807 11.855 -1.373 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.058 12.998 -0.488 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.313 12.736 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.488 14.152 0.592 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.758 14.073 -1.138 1.00 0.00 H new ATOM 286 N ASP A 23 -5.170 10.388 1.570 1.00 0.00 N ATOM 287 CA ASP A 23 -4.437 9.765 2.666 1.00 0.00 C ATOM 288 C ASP A 23 -3.525 8.657 2.149 1.00 0.00 C ATOM 289 O ASP A 23 -2.325 8.647 2.424 1.00 0.00 O ATOM 290 CB ASP A 23 -5.411 9.200 3.702 1.00 0.00 C ATOM 291 CG ASP A 23 -6.071 10.286 4.528 1.00 0.00 C ATOM 292 OD1 ASP A 23 -5.344 11.032 5.218 1.00 0.00 O ATOM 293 OD2 ASP A 23 -7.315 10.391 4.485 1.00 0.00 O ATOM 0 H ASP A 23 -6.185 10.322 1.650 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.819 10.528 3.138 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.179 8.616 3.194 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.878 8.518 4.364 1.00 0.00 H new ATOM 298 N LEU A 24 -4.103 7.724 1.401 1.00 0.00 N ATOM 299 CA LEU A 24 -3.342 6.609 0.846 1.00 0.00 C ATOM 300 C LEU A 24 -2.143 7.111 0.049 1.00 0.00 C ATOM 301 O LEU A 24 -1.032 6.600 0.189 1.00 0.00 O ATOM 302 CB LEU A 24 -4.238 5.749 -0.047 1.00 0.00 C ATOM 303 CG LEU A 24 -5.563 5.296 0.569 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.615 5.103 -0.511 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.370 4.012 1.363 1.00 0.00 C ATOM 0 H LEU A 24 -5.095 7.717 1.165 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.976 6.003 1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.456 6.309 -0.956 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.677 4.863 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.910 6.073 1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.551 4.781 -0.054 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.773 6.044 -1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.276 4.345 -1.217 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -6.323 3.704 1.794 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -5.000 3.228 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.649 4.183 2.162 1.00 0.00 H new ATOM 317 N LYS A 25 -2.374 8.118 -0.787 1.00 0.00 N ATOM 318 CA LYS A 25 -1.313 8.693 -1.605 1.00 0.00 C ATOM 319 C LYS A 25 -0.209 9.278 -0.731 1.00 0.00 C ATOM 320 O LYS A 25 0.934 8.822 -0.768 1.00 0.00 O ATOM 321 CB LYS A 25 -1.880 9.779 -2.523 1.00 0.00 C ATOM 322 CG LYS A 25 -0.856 10.361 -3.481 1.00 0.00 C ATOM 323 CD LYS A 25 -1.507 11.277 -4.504 1.00 0.00 C ATOM 324 CE LYS A 25 -2.056 10.492 -5.685 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.693 11.382 -6.695 1.00 0.00 N ATOM 0 H LYS A 25 -3.288 8.553 -0.916 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.886 7.896 -2.215 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.707 9.362 -3.098 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -2.290 10.582 -1.911 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -0.105 10.917 -2.919 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.336 9.552 -3.994 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -2.314 11.837 -4.031 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.778 12.006 -4.858 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -1.249 9.930 -6.154 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.786 9.765 -5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -3.055 10.809 -7.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.480 11.900 -6.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -1.990 12.060 -7.053 1.00 0.00 H new ATOM 339 N LYS A 26 -0.557 10.290 0.057 1.00 0.00 N ATOM 340 CA LYS A 26 0.403 10.936 0.943 1.00 0.00 C ATOM 341 C LYS A 26 1.307 9.905 1.610 1.00 0.00 C ATOM 342 O LYS A 26 2.530 9.962 1.482 1.00 0.00 O ATOM 343 CB LYS A 26 -0.327 11.756 2.010 1.00 0.00 C ATOM 344 CG LYS A 26 -0.868 13.079 1.495 1.00 0.00 C ATOM 345 CD LYS A 26 -1.098 14.065 2.628 1.00 0.00 C ATOM 346 CE LYS A 26 -2.121 15.124 2.246 1.00 0.00 C ATOM 347 NZ LYS A 26 -1.546 16.148 1.331 1.00 0.00 N ATOM 0 H LYS A 26 -1.498 10.681 0.100 1.00 0.00 H new ATOM 0 HA LYS A 26 1.022 11.602 0.342 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.152 11.166 2.408 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.355 11.949 2.838 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.167 13.505 0.777 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.804 12.908 0.964 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.440 13.530 3.514 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.156 14.546 2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.975 14.647 1.766 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.493 15.611 3.147 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -2.275 16.851 1.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.747 16.622 1.798 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.214 15.688 0.460 1.00 0.00 H new ATOM 361 N ALA A 27 0.697 8.962 2.322 1.00 0.00 N ATOM 362 CA ALA A 27 1.447 7.916 3.006 1.00 0.00 C ATOM 363 C ALA A 27 2.270 7.096 2.019 1.00 0.00 C ATOM 364 O ALA A 27 3.464 6.874 2.224 1.00 0.00 O ATOM 365 CB ALA A 27 0.503 7.014 3.787 1.00 0.00 C ATOM 0 H ALA A 27 -0.314 8.902 2.440 1.00 0.00 H new ATOM 0 HA ALA A 27 2.135 8.394 3.704 1.00 0.00 H new ATOM 0 HB1 ALA A 27 1.077 6.237 4.293 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.037 7.606 4.526 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.208 6.552 3.102 1.00 0.00 H new ATOM 371 N TYR A 28 1.625 6.647 0.948 1.00 0.00 N ATOM 372 CA TYR A 28 2.297 5.848 -0.070 1.00 0.00 C ATOM 373 C TYR A 28 3.594 6.514 -0.518 1.00 0.00 C ATOM 374 O TYR A 28 4.647 5.879 -0.567 1.00 0.00 O ATOM 375 CB TYR A 28 1.377 5.638 -1.273 1.00 0.00 C ATOM 376 CG TYR A 28 2.046 4.933 -2.432 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.748 3.750 -2.239 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.974 5.449 -3.720 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.361 3.103 -3.294 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.583 4.808 -4.781 1.00 0.00 C ATOM 381 CZ TYR A 28 3.276 3.636 -4.563 1.00 0.00 C ATOM 382 OH TYR A 28 3.884 2.994 -5.617 1.00 0.00 O ATOM 0 H TYR A 28 0.638 6.823 0.762 1.00 0.00 H new ATOM 0 HA TYR A 28 2.540 4.879 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.509 5.059 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.009 6.606 -1.612 1.00 0.00 H new ATOM 0 HD1 TYR A 28 2.816 3.329 -1.247 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.433 6.367 -3.894 1.00 0.00 H new ATOM 0 HE1 TYR A 28 3.904 2.185 -3.126 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.517 5.222 -5.776 1.00 0.00 H new ATOM 0 HH TYR A 28 3.728 3.499 -6.442 1.00 0.00 H new ATOM 392 N ARG A 29 3.509 7.800 -0.843 1.00 0.00 N ATOM 393 CA ARG A 29 4.675 8.554 -1.287 1.00 0.00 C ATOM 394 C ARG A 29 5.757 8.566 -0.212 1.00 0.00 C ATOM 395 O ARG A 29 6.823 7.974 -0.383 1.00 0.00 O ATOM 396 CB ARG A 29 4.277 9.989 -1.641 1.00 0.00 C ATOM 397 CG ARG A 29 3.407 10.091 -2.883 1.00 0.00 C ATOM 398 CD ARG A 29 3.434 11.494 -3.468 1.00 0.00 C ATOM 399 NE ARG A 29 2.369 11.700 -4.446 1.00 0.00 N ATOM 400 CZ ARG A 29 2.386 11.188 -5.671 1.00 0.00 C ATOM 401 NH1 ARG A 29 3.409 10.443 -6.067 1.00 0.00 N ATOM 402 NH2 ARG A 29 1.379 11.420 -6.503 1.00 0.00 N ATOM 0 H ARG A 29 2.645 8.341 -0.807 1.00 0.00 H new ATOM 0 HA ARG A 29 5.075 8.065 -2.175 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.744 10.428 -0.797 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.180 10.581 -1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.753 9.377 -3.631 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.381 9.819 -2.633 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.334 12.224 -2.664 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.400 11.671 -3.941 1.00 0.00 H new ATOM 0 HE ARG A 29 1.568 12.269 -4.173 1.00 0.00 H new ATOM 0 HH11 ARG A 29 4.185 10.262 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.420 10.051 -7.008 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.590 11.992 -6.202 1.00 0.00 H new ATOM 0 HH22 ARG A 29 1.394 11.026 -7.444 1.00 0.00 H new ATOM 416 N ARG A 30 5.476 9.244 0.896 1.00 0.00 N ATOM 417 CA ARG A 30 6.426 9.335 1.998 1.00 0.00 C ATOM 418 C ARG A 30 7.152 8.008 2.200 1.00 0.00 C ATOM 419 O ARG A 30 8.276 7.974 2.704 1.00 0.00 O ATOM 420 CB ARG A 30 5.707 9.736 3.287 1.00 0.00 C ATOM 421 CG ARG A 30 6.532 9.503 4.543 1.00 0.00 C ATOM 422 CD ARG A 30 5.762 9.892 5.795 1.00 0.00 C ATOM 423 NE ARG A 30 6.649 10.347 6.863 1.00 0.00 N ATOM 424 CZ ARG A 30 6.221 10.722 8.063 1.00 0.00 C ATOM 425 NH1 ARG A 30 4.927 10.697 8.347 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.090 11.124 8.983 1.00 0.00 N ATOM 0 H ARG A 30 4.598 9.738 1.054 1.00 0.00 H new ATOM 0 HA ARG A 30 7.163 10.099 1.748 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.438 10.791 3.230 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.777 9.173 3.364 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.818 8.453 4.602 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.454 10.082 4.487 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.051 10.682 5.553 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.182 9.038 6.144 1.00 0.00 H new ATOM 0 HE ARG A 30 7.651 10.378 6.677 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.256 10.389 7.643 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.602 10.986 9.270 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.087 11.145 8.768 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.761 11.412 9.904 1.00 0.00 H new ATOM 440 N LEU A 31 6.504 6.918 1.804 1.00 0.00 N ATOM 441 CA LEU A 31 7.087 5.588 1.942 1.00 0.00 C ATOM 442 C LEU A 31 7.998 5.269 0.761 1.00 0.00 C ATOM 443 O LEU A 31 9.206 5.102 0.923 1.00 0.00 O ATOM 444 CB LEU A 31 5.984 4.534 2.050 1.00 0.00 C ATOM 445 CG LEU A 31 5.155 4.560 3.334 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.027 3.542 3.262 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.038 4.296 4.545 1.00 0.00 C ATOM 0 H LEU A 31 5.574 6.929 1.385 1.00 0.00 H new ATOM 0 HA LEU A 31 7.685 5.573 2.853 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.309 4.655 1.203 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.440 3.549 1.956 1.00 0.00 H new ATOM 0 HG LEU A 31 4.715 5.552 3.440 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.448 3.575 4.185 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.379 3.777 2.418 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.445 2.544 3.132 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.431 4.318 5.450 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.507 3.317 4.447 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.810 5.063 4.607 1.00 0.00 H new ATOM 459 N ALA A 32 7.410 5.187 -0.428 1.00 0.00 N ATOM 460 CA ALA A 32 8.169 4.892 -1.637 1.00 0.00 C ATOM 461 C ALA A 32 9.515 5.608 -1.629 1.00 0.00 C ATOM 462 O ALA A 32 10.535 5.038 -2.020 1.00 0.00 O ATOM 463 CB ALA A 32 7.369 5.282 -2.871 1.00 0.00 C ATOM 0 H ALA A 32 6.410 5.321 -0.580 1.00 0.00 H new ATOM 0 HA ALA A 32 8.358 3.819 -1.664 1.00 0.00 H new ATOM 0 HB1 ALA A 32 7.948 5.056 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.435 4.720 -2.892 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.150 6.349 -2.840 1.00 0.00 H new ATOM 469 N LEU A 33 9.512 6.859 -1.182 1.00 0.00 N ATOM 470 CA LEU A 33 10.734 7.653 -1.124 1.00 0.00 C ATOM 471 C LEU A 33 11.706 7.083 -0.096 1.00 0.00 C ATOM 472 O LEU A 33 12.920 7.096 -0.299 1.00 0.00 O ATOM 473 CB LEU A 33 10.404 9.107 -0.779 1.00 0.00 C ATOM 474 CG LEU A 33 9.985 9.996 -1.950 1.00 0.00 C ATOM 475 CD1 LEU A 33 8.473 9.988 -2.112 1.00 0.00 C ATOM 476 CD2 LEU A 33 10.495 11.416 -1.750 1.00 0.00 C ATOM 0 H LEU A 33 8.677 7.345 -0.855 1.00 0.00 H new ATOM 0 HA LEU A 33 11.209 7.617 -2.104 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.602 9.111 -0.041 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.277 9.554 -0.304 1.00 0.00 H new ATOM 0 HG LEU A 33 10.429 9.597 -2.862 1.00 0.00 H new ATOM 0 HD11 LEU A 33 8.194 10.626 -2.950 1.00 0.00 H new ATOM 0 HD12 LEU A 33 8.133 8.970 -2.302 1.00 0.00 H new ATOM 0 HD13 LEU A 33 8.007 10.362 -1.200 1.00 0.00 H new ATOM 0 HD21 LEU A 33 10.188 12.035 -2.593 1.00 0.00 H new ATOM 0 HD22 LEU A 33 10.080 11.825 -0.829 1.00 0.00 H new ATOM 0 HD23 LEU A 33 11.583 11.406 -1.685 1.00 0.00 H new ATOM 488 N LYS A 34 11.164 6.580 1.008 1.00 0.00 N ATOM 489 CA LYS A 34 11.981 6.001 2.067 1.00 0.00 C ATOM 490 C LYS A 34 12.460 4.604 1.683 1.00 0.00 C ATOM 491 O LYS A 34 13.313 4.023 2.354 1.00 0.00 O ATOM 492 CB LYS A 34 11.189 5.938 3.375 1.00 0.00 C ATOM 493 CG LYS A 34 12.002 5.435 4.555 1.00 0.00 C ATOM 494 CD LYS A 34 11.148 5.306 5.806 1.00 0.00 C ATOM 495 CE LYS A 34 11.671 4.213 6.726 1.00 0.00 C ATOM 496 NZ LYS A 34 11.040 4.275 8.074 1.00 0.00 N ATOM 0 H LYS A 34 10.161 6.562 1.192 1.00 0.00 H new ATOM 0 HA LYS A 34 12.853 6.639 2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 34 10.806 6.932 3.606 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.325 5.288 3.236 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.439 4.467 4.310 1.00 0.00 H new ATOM 0 HG3 LYS A 34 12.829 6.119 4.747 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.135 6.257 6.339 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.119 5.085 5.524 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.477 3.238 6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 34 12.752 4.309 6.826 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 11.422 3.514 8.672 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.246 5.196 8.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.011 4.158 7.981 1.00 0.00 H new ATOM 510 N PHE A 35 11.906 4.072 0.598 1.00 0.00 N ATOM 511 CA PHE A 35 12.277 2.743 0.125 1.00 0.00 C ATOM 512 C PHE A 35 12.881 2.814 -1.275 1.00 0.00 C ATOM 513 O PHE A 35 13.461 1.844 -1.763 1.00 0.00 O ATOM 514 CB PHE A 35 11.057 1.821 0.120 1.00 0.00 C ATOM 515 CG PHE A 35 10.544 1.498 1.494 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.155 0.522 2.264 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.450 2.170 2.015 1.00 0.00 C ATOM 518 CE1 PHE A 35 10.686 0.222 3.529 1.00 0.00 C ATOM 519 CE2 PHE A 35 8.977 1.875 3.280 1.00 0.00 C ATOM 520 CZ PHE A 35 9.594 0.899 4.037 1.00 0.00 C ATOM 0 H PHE A 35 11.199 4.540 0.030 1.00 0.00 H new ATOM 0 HA PHE A 35 13.026 2.338 0.805 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.259 2.290 -0.456 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.315 0.893 -0.390 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.008 -0.011 1.871 1.00 0.00 H new ATOM 0 HD2 PHE A 35 8.962 2.932 1.426 1.00 0.00 H new ATOM 0 HE1 PHE A 35 11.172 -0.540 4.119 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.125 2.408 3.676 1.00 0.00 H new ATOM 0 HZ PHE A 35 9.224 0.665 5.024 1.00 0.00 H new ATOM 530 N HIS A 36 12.740 3.970 -1.916 1.00 0.00 N ATOM 531 CA HIS A 36 13.271 4.168 -3.260 1.00 0.00 C ATOM 532 C HIS A 36 14.769 3.881 -3.300 1.00 0.00 C ATOM 533 O HIS A 36 15.515 4.219 -2.381 1.00 0.00 O ATOM 534 CB HIS A 36 13.002 5.598 -3.732 1.00 0.00 C ATOM 535 CG HIS A 36 12.829 5.716 -5.215 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.817 6.188 -6.052 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.774 5.420 -6.009 1.00 0.00 C ATOM 538 CE1 HIS A 36 13.377 6.178 -7.298 1.00 0.00 C ATOM 539 NE2 HIS A 36 12.140 5.716 -7.299 1.00 0.00 N ATOM 0 H HIS A 36 12.263 4.783 -1.527 1.00 0.00 H new ATOM 0 HA HIS A 36 12.767 3.471 -3.929 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.105 5.972 -3.239 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.828 6.237 -3.419 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.822 5.025 -5.688 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.934 6.494 -8.168 1.00 0.00 H new ATOM 0 HE2 HIS A 36 11.552 5.598 -8.124 1.00 0.00 H new ATOM 547 N PRO A 37 15.220 3.241 -4.389 1.00 0.00 N ATOM 548 CA PRO A 37 16.632 2.894 -4.575 1.00 0.00 C ATOM 549 C PRO A 37 17.505 4.121 -4.814 1.00 0.00 C ATOM 550 O PRO A 37 18.713 4.092 -4.579 1.00 0.00 O ATOM 551 CB PRO A 37 16.617 1.998 -5.816 1.00 0.00 C ATOM 552 CG PRO A 37 15.396 2.408 -6.564 1.00 0.00 C ATOM 553 CD PRO A 37 14.387 2.808 -5.523 1.00 0.00 C ATOM 0 HA PRO A 37 17.053 2.414 -3.691 1.00 0.00 H new ATOM 0 HB2 PRO A 37 17.515 2.139 -6.417 1.00 0.00 H new ATOM 0 HB3 PRO A 37 16.578 0.944 -5.543 1.00 0.00 H new ATOM 0 HG2 PRO A 37 15.611 3.237 -7.238 1.00 0.00 H new ATOM 0 HG3 PRO A 37 15.020 1.589 -7.177 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.741 3.612 -5.877 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.739 1.975 -5.251 1.00 0.00 H new ATOM 561 N ASP A 38 16.885 5.199 -5.283 1.00 0.00 N ATOM 562 CA ASP A 38 17.605 6.438 -5.553 1.00 0.00 C ATOM 563 C ASP A 38 17.599 7.348 -4.329 1.00 0.00 C ATOM 564 O ASP A 38 18.584 8.029 -4.043 1.00 0.00 O ATOM 565 CB ASP A 38 16.984 7.164 -6.747 1.00 0.00 C ATOM 566 CG ASP A 38 16.905 6.287 -7.981 1.00 0.00 C ATOM 567 OD1 ASP A 38 16.025 5.401 -8.025 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.722 6.486 -8.904 1.00 0.00 O ATOM 0 H ASP A 38 15.886 5.239 -5.484 1.00 0.00 H new ATOM 0 HA ASP A 38 18.638 6.184 -5.790 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.983 7.503 -6.481 1.00 0.00 H new ATOM 0 HB3 ASP A 38 17.572 8.053 -6.974 1.00 0.00 H new ATOM 573 N LYS A 39 16.482 7.356 -3.610 1.00 0.00 N ATOM 574 CA LYS A 39 16.346 8.181 -2.416 1.00 0.00 C ATOM 575 C LYS A 39 16.993 7.507 -1.211 1.00 0.00 C ATOM 576 O LYS A 39 17.812 8.108 -0.517 1.00 0.00 O ATOM 577 CB LYS A 39 14.868 8.456 -2.127 1.00 0.00 C ATOM 578 CG LYS A 39 14.169 9.240 -3.224 1.00 0.00 C ATOM 579 CD LYS A 39 13.052 10.105 -2.666 1.00 0.00 C ATOM 580 CE LYS A 39 13.579 11.442 -2.166 1.00 0.00 C ATOM 581 NZ LYS A 39 13.815 12.398 -3.282 1.00 0.00 N ATOM 0 H LYS A 39 15.657 6.800 -3.834 1.00 0.00 H new ATOM 0 HA LYS A 39 16.857 9.126 -2.599 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.352 7.507 -1.985 1.00 0.00 H new ATOM 0 HB3 LYS A 39 14.786 9.007 -1.190 1.00 0.00 H new ATOM 0 HG2 LYS A 39 14.894 9.869 -3.741 1.00 0.00 H new ATOM 0 HG3 LYS A 39 13.761 8.550 -3.963 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.301 10.274 -3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.557 9.580 -1.849 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.866 11.873 -1.463 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.509 11.284 -1.620 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.174 13.296 -2.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.514 11.998 -3.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.922 12.569 -3.788 1.00 0.00 H new ATOM 595 N ASN A 40 16.622 6.254 -0.969 1.00 0.00 N ATOM 596 CA ASN A 40 17.168 5.497 0.152 1.00 0.00 C ATOM 597 C ASN A 40 18.505 4.863 -0.219 1.00 0.00 C ATOM 598 O ASN A 40 19.522 5.109 0.430 1.00 0.00 O ATOM 599 CB ASN A 40 16.181 4.414 0.591 1.00 0.00 C ATOM 600 CG ASN A 40 16.427 3.951 2.015 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.244 2.658 2.256 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 16.778 4.747 2.886 1.00 0.00 N flip ATOM 0 H ASN A 40 15.945 5.741 -1.534 1.00 0.00 H new ATOM 0 HA ASN A 40 17.331 6.187 0.979 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.164 4.797 0.507 1.00 0.00 H new ATOM 0 HB3 ASN A 40 16.257 3.561 -0.084 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.906 5.732 2.655 1.00 0.00 H new ATOM 0 HD22 ASN A 40 16.941 4.421 3.839 1.00 0.00 H new ATOM 650 N GLY A 44 17.345 -4.182 1.185 1.00 0.00 N ATOM 651 CA GLY A 44 16.174 -4.618 1.923 1.00 0.00 C ATOM 652 C GLY A 44 15.011 -3.655 1.787 1.00 0.00 C ATOM 653 O GLY A 44 13.866 -4.074 1.619 1.00 0.00 O ATOM 0 HA2 GLY A 44 15.870 -5.602 1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 44 16.432 -4.725 2.977 1.00 0.00 H new ATOM 657 N ALA A 45 15.305 -2.361 1.861 1.00 0.00 N ATOM 658 CA ALA A 45 14.275 -1.336 1.744 1.00 0.00 C ATOM 659 C ALA A 45 13.661 -1.331 0.349 1.00 0.00 C ATOM 660 O ALA A 45 12.443 -1.417 0.194 1.00 0.00 O ATOM 661 CB ALA A 45 14.853 0.032 2.074 1.00 0.00 C ATOM 0 H ALA A 45 16.248 -1.998 2.001 1.00 0.00 H new ATOM 0 HA ALA A 45 13.485 -1.566 2.458 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.073 0.788 1.983 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.237 0.028 3.094 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.663 0.261 1.382 1.00 0.00 H new ATOM 667 N THR A 46 14.513 -1.228 -0.667 1.00 0.00 N ATOM 668 CA THR A 46 14.054 -1.209 -2.050 1.00 0.00 C ATOM 669 C THR A 46 13.187 -2.424 -2.358 1.00 0.00 C ATOM 670 O THR A 46 12.172 -2.315 -3.045 1.00 0.00 O ATOM 671 CB THR A 46 15.238 -1.175 -3.035 1.00 0.00 C ATOM 672 OG1 THR A 46 16.304 -0.387 -2.492 1.00 0.00 O ATOM 673 CG2 THR A 46 14.810 -0.602 -4.377 1.00 0.00 C ATOM 0 H THR A 46 15.525 -1.156 -0.557 1.00 0.00 H new ATOM 0 HA THR A 46 13.462 -0.302 -2.174 1.00 0.00 H new ATOM 0 HB THR A 46 15.584 -2.197 -3.189 1.00 0.00 H new ATOM 0 HG1 THR A 46 17.054 -0.372 -3.123 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.663 -0.588 -5.055 1.00 0.00 H new ATOM 0 HG22 THR A 46 14.019 -1.220 -4.801 1.00 0.00 H new ATOM 0 HG23 THR A 46 14.441 0.414 -4.238 1.00 0.00 H new ATOM 681 N GLU A 47 13.593 -3.581 -1.845 1.00 0.00 N ATOM 682 CA GLU A 47 12.852 -4.817 -2.066 1.00 0.00 C ATOM 683 C GLU A 47 11.404 -4.672 -1.608 1.00 0.00 C ATOM 684 O GLU A 47 10.520 -5.395 -2.068 1.00 0.00 O ATOM 685 CB GLU A 47 13.519 -5.978 -1.326 1.00 0.00 C ATOM 686 CG GLU A 47 14.871 -6.369 -1.900 1.00 0.00 C ATOM 687 CD GLU A 47 15.599 -7.382 -1.038 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.186 -8.561 -1.032 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.581 -6.997 -0.370 1.00 0.00 O ATOM 0 H GLU A 47 14.431 -3.688 -1.273 1.00 0.00 H new ATOM 0 HA GLU A 47 12.858 -5.027 -3.136 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.644 -5.706 -0.278 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.857 -6.844 -1.354 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.732 -6.781 -2.899 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.488 -5.477 -2.006 1.00 0.00 H new ATOM 696 N ALA A 48 11.169 -3.733 -0.697 1.00 0.00 N ATOM 697 CA ALA A 48 9.829 -3.492 -0.177 1.00 0.00 C ATOM 698 C ALA A 48 9.053 -2.539 -1.079 1.00 0.00 C ATOM 699 O ALA A 48 7.853 -2.711 -1.296 1.00 0.00 O ATOM 700 CB ALA A 48 9.904 -2.939 1.239 1.00 0.00 C ATOM 0 H ALA A 48 11.889 -3.127 -0.304 1.00 0.00 H new ATOM 0 HA ALA A 48 9.298 -4.443 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 48 8.896 -2.764 1.615 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.412 -3.657 1.883 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.458 -2.000 1.234 1.00 0.00 H new ATOM 706 N PHE A 49 9.745 -1.532 -1.602 1.00 0.00 N ATOM 707 CA PHE A 49 9.120 -0.549 -2.480 1.00 0.00 C ATOM 708 C PHE A 49 8.174 -1.226 -3.468 1.00 0.00 C ATOM 709 O PHE A 49 7.060 -0.758 -3.700 1.00 0.00 O ATOM 710 CB PHE A 49 10.188 0.241 -3.239 1.00 0.00 C ATOM 711 CG PHE A 49 9.627 1.128 -4.313 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.496 1.892 -4.079 1.00 0.00 C ATOM 713 CD2 PHE A 49 10.231 1.196 -5.558 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.977 2.710 -5.066 1.00 0.00 C ATOM 715 CE2 PHE A 49 9.718 2.012 -6.549 1.00 0.00 C ATOM 716 CZ PHE A 49 8.589 2.769 -6.303 1.00 0.00 C ATOM 0 H PHE A 49 10.739 -1.375 -1.433 1.00 0.00 H new ATOM 0 HA PHE A 49 8.541 0.137 -1.862 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.749 0.851 -2.531 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.895 -0.457 -3.688 1.00 0.00 H new ATOM 0 HD1 PHE A 49 8.013 1.849 -3.114 1.00 0.00 H new ATOM 0 HD2 PHE A 49 11.113 0.605 -5.757 1.00 0.00 H new ATOM 0 HE1 PHE A 49 7.095 3.302 -4.870 1.00 0.00 H new ATOM 0 HE2 PHE A 49 10.199 2.058 -7.515 1.00 0.00 H new ATOM 0 HZ PHE A 49 8.186 3.406 -7.076 1.00 0.00 H new ATOM 726 N LYS A 50 8.628 -2.332 -4.048 1.00 0.00 N ATOM 727 CA LYS A 50 7.825 -3.076 -5.011 1.00 0.00 C ATOM 728 C LYS A 50 6.476 -3.462 -4.412 1.00 0.00 C ATOM 729 O LYS A 50 5.436 -3.311 -5.052 1.00 0.00 O ATOM 730 CB LYS A 50 8.571 -4.333 -5.466 1.00 0.00 C ATOM 731 CG LYS A 50 8.295 -5.551 -4.601 1.00 0.00 C ATOM 732 CD LYS A 50 8.935 -6.802 -5.179 1.00 0.00 C ATOM 733 CE LYS A 50 8.038 -7.457 -6.218 1.00 0.00 C ATOM 734 NZ LYS A 50 8.426 -8.872 -6.472 1.00 0.00 N ATOM 0 H LYS A 50 9.548 -2.733 -3.868 1.00 0.00 H new ATOM 0 HA LYS A 50 7.649 -2.433 -5.873 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.292 -4.558 -6.495 1.00 0.00 H new ATOM 0 HB3 LYS A 50 9.642 -4.131 -5.463 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.677 -5.378 -3.595 1.00 0.00 H new ATOM 0 HG3 LYS A 50 7.219 -5.699 -4.513 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.892 -6.546 -5.633 1.00 0.00 H new ATOM 0 HD3 LYS A 50 9.142 -7.510 -4.377 1.00 0.00 H new ATOM 0 HE2 LYS A 50 7.003 -7.419 -5.880 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.089 -6.893 -7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 7.791 -9.283 -7.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.406 -8.906 -6.819 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 8.352 -9.416 -5.589 1.00 0.00 H new ATOM 748 N ALA A 51 6.501 -3.960 -3.180 1.00 0.00 N ATOM 749 CA ALA A 51 5.280 -4.363 -2.494 1.00 0.00 C ATOM 750 C ALA A 51 4.365 -3.167 -2.253 1.00 0.00 C ATOM 751 O ALA A 51 3.203 -3.171 -2.662 1.00 0.00 O ATOM 752 CB ALA A 51 5.616 -5.046 -1.177 1.00 0.00 C ATOM 0 H ALA A 51 7.354 -4.094 -2.637 1.00 0.00 H new ATOM 0 HA ALA A 51 4.750 -5.070 -3.133 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.695 -5.342 -0.675 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.224 -5.930 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.171 -4.356 -0.541 1.00 0.00 H new ATOM 758 N ILE A 52 4.895 -2.147 -1.588 1.00 0.00 N ATOM 759 CA ILE A 52 4.125 -0.945 -1.294 1.00 0.00 C ATOM 760 C ILE A 52 3.141 -0.634 -2.417 1.00 0.00 C ATOM 761 O ILE A 52 1.942 -0.487 -2.183 1.00 0.00 O ATOM 762 CB ILE A 52 5.043 0.273 -1.078 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.240 -0.111 -0.207 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.265 1.417 -0.444 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.881 1.067 0.493 1.00 0.00 C ATOM 0 H ILE A 52 5.855 -2.129 -1.242 1.00 0.00 H new ATOM 0 HA ILE A 52 3.573 -1.141 -0.375 1.00 0.00 H new ATOM 0 HB ILE A 52 5.415 0.605 -2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.917 -0.836 0.540 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.987 -0.605 -0.828 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.927 2.270 -0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.442 1.704 -1.099 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.867 1.097 0.519 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.723 0.720 1.092 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.235 1.783 -0.249 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.148 1.548 1.141 1.00 0.00 H new ATOM 777 N GLY A 53 3.657 -0.536 -3.638 1.00 0.00 N ATOM 778 CA GLY A 53 2.811 -0.245 -4.780 1.00 0.00 C ATOM 779 C GLY A 53 1.634 -1.194 -4.886 1.00 0.00 C ATOM 780 O GLY A 53 0.479 -0.781 -4.770 1.00 0.00 O ATOM 0 H GLY A 53 4.646 -0.653 -3.857 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.443 0.778 -4.704 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.405 -0.304 -5.692 1.00 0.00 H new ATOM 784 N THR A 54 1.924 -2.472 -5.110 1.00 0.00 N ATOM 785 CA THR A 54 0.882 -3.482 -5.236 1.00 0.00 C ATOM 786 C THR A 54 -0.282 -3.191 -4.295 1.00 0.00 C ATOM 787 O THR A 54 -1.436 -3.481 -4.612 1.00 0.00 O ATOM 788 CB THR A 54 1.426 -4.892 -4.938 1.00 0.00 C ATOM 789 OG1 THR A 54 2.605 -5.136 -5.713 1.00 0.00 O ATOM 790 CG2 THR A 54 0.381 -5.953 -5.248 1.00 0.00 C ATOM 0 H THR A 54 2.873 -2.832 -5.208 1.00 0.00 H new ATOM 0 HA THR A 54 0.531 -3.446 -6.267 1.00 0.00 H new ATOM 0 HB THR A 54 1.671 -4.946 -3.877 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.946 -6.034 -5.517 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.789 -6.940 -5.030 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.504 -5.782 -4.635 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.108 -5.898 -6.302 1.00 0.00 H new ATOM 798 N ALA A 55 0.027 -2.614 -3.139 1.00 0.00 N ATOM 799 CA ALA A 55 -0.994 -2.280 -2.154 1.00 0.00 C ATOM 800 C ALA A 55 -1.747 -1.016 -2.551 1.00 0.00 C ATOM 801 O ALA A 55 -2.972 -1.025 -2.676 1.00 0.00 O ATOM 802 CB ALA A 55 -0.366 -2.113 -0.778 1.00 0.00 C ATOM 0 H ALA A 55 0.977 -2.368 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.710 -3.101 -2.117 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.140 -1.864 -0.052 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.120 -3.043 -0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.373 -1.312 -0.810 1.00 0.00 H new ATOM 808 N TYR A 56 -1.009 0.071 -2.747 1.00 0.00 N ATOM 809 CA TYR A 56 -1.608 1.344 -3.127 1.00 0.00 C ATOM 810 C TYR A 56 -2.441 1.197 -4.397 1.00 0.00 C ATOM 811 O TYR A 56 -3.567 1.686 -4.474 1.00 0.00 O ATOM 812 CB TYR A 56 -0.522 2.401 -3.336 1.00 0.00 C ATOM 813 CG TYR A 56 -1.062 3.751 -3.750 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.579 4.633 -2.809 1.00 0.00 C ATOM 815 CD2 TYR A 56 -1.054 4.146 -5.082 1.00 0.00 C ATOM 816 CE1 TYR A 56 -2.074 5.867 -3.182 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.546 5.379 -5.465 1.00 0.00 C ATOM 818 CZ TYR A 56 -2.055 6.235 -4.511 1.00 0.00 C ATOM 819 OH TYR A 56 -2.546 7.465 -4.888 1.00 0.00 O ATOM 0 H TYR A 56 0.006 0.096 -2.649 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.265 1.663 -2.318 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.046 2.514 -2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.174 2.049 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.594 4.348 -1.767 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.656 3.478 -5.831 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.474 6.540 -2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.532 5.671 -6.505 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.458 7.569 -5.859 1.00 0.00 H new ATOM 829 N ALA A 57 -1.877 0.519 -5.391 1.00 0.00 N ATOM 830 CA ALA A 57 -2.567 0.304 -6.657 1.00 0.00 C ATOM 831 C ALA A 57 -3.948 -0.304 -6.434 1.00 0.00 C ATOM 832 O ALA A 57 -4.869 -0.082 -7.219 1.00 0.00 O ATOM 833 CB ALA A 57 -1.736 -0.589 -7.566 1.00 0.00 C ATOM 0 H ALA A 57 -0.944 0.109 -5.344 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.699 1.273 -7.139 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.263 -0.741 -8.508 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.774 -0.115 -7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.574 -1.552 -7.081 1.00 0.00 H new ATOM 839 N VAL A 58 -4.084 -1.072 -5.357 1.00 0.00 N ATOM 840 CA VAL A 58 -5.353 -1.711 -5.030 1.00 0.00 C ATOM 841 C VAL A 58 -6.327 -0.715 -4.413 1.00 0.00 C ATOM 842 O VAL A 58 -7.326 -0.342 -5.031 1.00 0.00 O ATOM 843 CB VAL A 58 -5.154 -2.888 -4.057 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.472 -3.267 -3.400 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.546 -4.081 -4.780 1.00 0.00 C ATOM 0 H VAL A 58 -3.331 -1.266 -4.697 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.768 -2.088 -5.965 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.462 -2.576 -3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.311 -4.100 -2.716 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -6.861 -2.413 -2.846 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.190 -3.560 -4.166 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.413 -4.903 -4.077 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -5.210 -4.396 -5.585 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.579 -3.800 -5.197 1.00 0.00 H new ATOM 855 N LEU A 59 -6.031 -0.285 -3.191 1.00 0.00 N ATOM 856 CA LEU A 59 -6.882 0.670 -2.489 1.00 0.00 C ATOM 857 C LEU A 59 -7.107 1.920 -3.333 1.00 0.00 C ATOM 858 O LEU A 59 -8.239 2.375 -3.496 1.00 0.00 O ATOM 859 CB LEU A 59 -6.253 1.052 -1.148 1.00 0.00 C ATOM 860 CG LEU A 59 -5.644 -0.095 -0.341 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.094 0.416 0.982 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.676 -1.188 -0.105 1.00 0.00 C ATOM 0 H LEU A 59 -5.209 -0.582 -2.666 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.847 0.197 -2.309 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.475 1.793 -1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.015 1.535 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.820 -0.519 -0.914 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.665 -0.414 1.543 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.323 1.162 0.791 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.900 0.867 1.561 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.225 -1.996 0.471 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.521 -0.777 0.447 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.022 -1.575 -1.064 1.00 0.00 H new ATOM 874 N SER A 60 -6.022 2.471 -3.868 1.00 0.00 N ATOM 875 CA SER A 60 -6.102 3.670 -4.694 1.00 0.00 C ATOM 876 C SER A 60 -7.291 3.596 -5.647 1.00 0.00 C ATOM 877 O SER A 60 -7.830 4.619 -6.065 1.00 0.00 O ATOM 878 CB SER A 60 -4.807 3.854 -5.488 1.00 0.00 C ATOM 879 OG SER A 60 -4.652 2.830 -6.455 1.00 0.00 O ATOM 0 H SER A 60 -5.078 2.106 -3.744 1.00 0.00 H new ATOM 0 HA SER A 60 -6.241 4.527 -4.035 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.814 4.826 -5.981 1.00 0.00 H new ATOM 0 HB3 SER A 60 -3.956 3.848 -4.808 1.00 0.00 H new ATOM 0 HG SER A 60 -4.439 1.985 -6.006 1.00 0.00 H new ATOM 885 N ASN A 61 -7.694 2.375 -5.986 1.00 0.00 N ATOM 886 CA ASN A 61 -8.818 2.166 -6.890 1.00 0.00 C ATOM 887 C ASN A 61 -10.077 1.788 -6.115 1.00 0.00 C ATOM 888 O ASN A 61 -10.030 1.065 -5.120 1.00 0.00 O ATOM 889 CB ASN A 61 -8.485 1.072 -7.907 1.00 0.00 C ATOM 890 CG ASN A 61 -7.721 1.607 -9.103 1.00 0.00 C ATOM 891 OD1 ASN A 61 -8.243 2.407 -9.879 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.478 1.166 -9.256 1.00 0.00 N ATOM 0 H ASN A 61 -7.259 1.517 -5.648 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.005 3.101 -7.419 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.895 0.295 -7.421 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.408 0.604 -8.249 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.915 1.491 -10.042 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.086 0.503 -8.587 1.00 0.00 H new ATOM 899 N PRO A 62 -11.231 2.289 -6.580 1.00 0.00 N ATOM 900 CA PRO A 62 -12.525 2.017 -5.946 1.00 0.00 C ATOM 901 C PRO A 62 -12.966 0.569 -6.128 1.00 0.00 C ATOM 902 O PRO A 62 -13.573 -0.020 -5.234 1.00 0.00 O ATOM 903 CB PRO A 62 -13.482 2.964 -6.674 1.00 0.00 C ATOM 904 CG PRO A 62 -12.846 3.200 -8.001 1.00 0.00 C ATOM 905 CD PRO A 62 -11.362 3.159 -7.761 1.00 0.00 C ATOM 0 HA PRO A 62 -12.491 2.170 -4.867 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.472 2.520 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.610 3.897 -6.125 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.147 2.437 -8.719 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.148 4.163 -8.413 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.827 2.754 -8.620 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.958 4.154 -7.574 1.00 0.00 H new ATOM 913 N GLU A 63 -12.657 0.002 -7.290 1.00 0.00 N ATOM 914 CA GLU A 63 -13.023 -1.378 -7.587 1.00 0.00 C ATOM 915 C GLU A 63 -12.142 -2.354 -6.812 1.00 0.00 C ATOM 916 O GLU A 63 -12.632 -3.319 -6.225 1.00 0.00 O ATOM 917 CB GLU A 63 -12.905 -1.648 -9.088 1.00 0.00 C ATOM 918 CG GLU A 63 -11.476 -1.605 -9.603 1.00 0.00 C ATOM 919 CD GLU A 63 -11.378 -1.928 -11.081 1.00 0.00 C ATOM 920 OE1 GLU A 63 -11.689 -3.078 -11.459 1.00 0.00 O ATOM 921 OE2 GLU A 63 -10.992 -1.033 -11.861 1.00 0.00 O ATOM 0 H GLU A 63 -12.155 0.476 -8.040 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.058 -1.527 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.332 -2.627 -9.307 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -13.500 -0.912 -9.629 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -11.059 -0.614 -9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -10.869 -2.314 -9.039 1.00 0.00 H new ATOM 928 N LYS A 64 -10.839 -2.095 -6.815 1.00 0.00 N ATOM 929 CA LYS A 64 -9.888 -2.948 -6.112 1.00 0.00 C ATOM 930 C LYS A 64 -9.919 -2.678 -4.611 1.00 0.00 C ATOM 931 O LYS A 64 -9.416 -3.472 -3.817 1.00 0.00 O ATOM 932 CB LYS A 64 -8.474 -2.723 -6.652 1.00 0.00 C ATOM 933 CG LYS A 64 -8.318 -3.086 -8.119 1.00 0.00 C ATOM 934 CD LYS A 64 -6.859 -3.297 -8.489 1.00 0.00 C ATOM 935 CE LYS A 64 -6.715 -3.821 -9.910 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.991 -5.282 -9.994 1.00 0.00 N ATOM 0 H LYS A 64 -10.417 -1.301 -7.297 1.00 0.00 H new ATOM 0 HA LYS A 64 -10.175 -3.986 -6.282 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.204 -1.676 -6.515 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.771 -3.313 -6.064 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.883 -3.993 -8.332 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.740 -2.294 -8.738 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.318 -2.356 -8.390 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.404 -4.001 -7.792 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -7.400 -3.284 -10.566 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -5.706 -3.621 -10.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -6.882 -5.600 -10.978 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -6.321 -5.797 -9.388 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.963 -5.471 -9.675 1.00 0.00 H new ATOM 950 N ARG A 65 -10.516 -1.553 -4.230 1.00 0.00 N ATOM 951 CA ARG A 65 -10.613 -1.179 -2.824 1.00 0.00 C ATOM 952 C ARG A 65 -11.844 -1.808 -2.178 1.00 0.00 C ATOM 953 O ARG A 65 -11.730 -2.624 -1.263 1.00 0.00 O ATOM 954 CB ARG A 65 -10.671 0.344 -2.683 1.00 0.00 C ATOM 955 CG ARG A 65 -11.104 0.811 -1.302 1.00 0.00 C ATOM 956 CD ARG A 65 -11.198 2.327 -1.232 1.00 0.00 C ATOM 957 NE ARG A 65 -11.641 2.787 0.082 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.885 2.653 0.527 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.806 2.075 -0.233 1.00 0.00 N ATOM 960 NH2 ARG A 65 -13.211 3.098 1.734 1.00 0.00 N ATOM 0 H ARG A 65 -10.939 -0.885 -4.875 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.726 -1.551 -2.312 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.688 0.759 -2.906 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.362 0.743 -3.426 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.071 0.373 -1.055 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.393 0.454 -0.556 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.225 2.762 -1.459 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.892 2.683 -1.994 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.957 3.236 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.559 1.732 -1.161 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.761 1.973 0.111 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -12.506 3.544 2.321 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -14.167 2.995 2.075 1.00 0.00 H new ATOM 974 N LYS A 66 -13.021 -1.422 -2.659 1.00 0.00 N ATOM 975 CA LYS A 66 -14.273 -1.947 -2.131 1.00 0.00 C ATOM 976 C LYS A 66 -14.255 -3.472 -2.102 1.00 0.00 C ATOM 977 O LYS A 66 -14.787 -4.091 -1.181 1.00 0.00 O ATOM 978 CB LYS A 66 -15.453 -1.456 -2.974 1.00 0.00 C ATOM 979 CG LYS A 66 -15.445 -1.987 -4.397 1.00 0.00 C ATOM 980 CD LYS A 66 -16.197 -3.303 -4.505 1.00 0.00 C ATOM 981 CE LYS A 66 -17.698 -3.080 -4.616 1.00 0.00 C ATOM 982 NZ LYS A 66 -18.105 -2.733 -6.006 1.00 0.00 N ATOM 0 H LYS A 66 -13.133 -0.746 -3.415 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.388 -1.583 -1.110 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.383 -1.752 -2.490 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.441 -0.366 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.898 -1.252 -5.063 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.416 -2.127 -4.729 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.845 -3.854 -5.377 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -15.983 -3.918 -3.631 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.224 -3.980 -4.298 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.997 -2.280 -3.939 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.134 -2.589 -6.041 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.623 -1.860 -6.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -17.842 -3.508 -6.648 1.00 0.00 H new ATOM 996 N GLN A 67 -13.639 -4.071 -3.116 1.00 0.00 N ATOM 997 CA GLN A 67 -13.551 -5.524 -3.206 1.00 0.00 C ATOM 998 C GLN A 67 -12.646 -6.083 -2.114 1.00 0.00 C ATOM 999 O GLN A 67 -12.878 -7.178 -1.601 1.00 0.00 O ATOM 1000 CB GLN A 67 -13.028 -5.940 -4.582 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.519 -5.818 -4.721 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.787 -7.059 -4.250 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.350 -8.154 -4.226 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.524 -6.895 -3.873 1.00 0.00 N ATOM 0 H GLN A 67 -13.194 -3.573 -3.887 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.552 -5.933 -3.067 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.320 -6.972 -4.776 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.506 -5.325 -5.344 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.268 -5.627 -5.765 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.174 -4.958 -4.148 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.097 -5.969 -3.909 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -8.981 -7.695 -3.547 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.613 -5.325 -1.762 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.671 -5.746 -0.733 1.00 0.00 C ATOM 1015 C TYR A 68 -11.291 -5.624 0.656 1.00 0.00 C ATOM 1016 O TYR A 68 -11.099 -6.488 1.512 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.393 -4.908 -0.808 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.575 -4.938 0.463 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -8.284 -6.139 1.098 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.093 -3.764 1.030 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -7.537 -6.171 2.260 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.344 -3.786 2.190 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.069 -4.992 2.802 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.324 -5.018 3.959 1.00 0.00 O ATOM 0 H TYR A 68 -11.407 -4.415 -2.175 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.423 -6.792 -0.910 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.780 -5.269 -1.634 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.658 -3.875 -1.035 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -8.648 -7.064 0.676 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.308 -2.818 0.555 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -7.321 -7.113 2.741 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -6.975 -2.864 2.616 1.00 0.00 H new ATOM 0 HH TYR A 68 -6.072 -4.104 4.206 1.00 0.00 H new