USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=12 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= 0.0568 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 -55:sc= 0.34 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS : no HD1:sc= -3.93! C(o=-3.9!,f=-8.2!) USER MOD Single : A 39 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0261) USER MOD Single : A 40 ASN : amide:sc= -3.9! K(o=-3.9!,f=-3.3) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0111 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 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.17 X(o=-1.2,f=-1.1!) USER MOD Single : A 64 LYS NZ :NH3+ 155:sc= -0.0716 (180deg=-0.501) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc= -0.0314 K(o=-0.031,f=-0.81) USER MOD Single : A 68 TYR OH : rot -53:sc= 0.313 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.853 -6.921 5.245 1.00 0.00 N ATOM 67 CA ASP A 8 -2.970 -6.162 4.696 1.00 0.00 C ATOM 68 C ASP A 8 -2.478 -4.893 4.006 1.00 0.00 C ATOM 69 O ASP A 8 -1.561 -4.229 4.487 1.00 0.00 O ATOM 70 CB ASP A 8 -3.963 -5.802 5.803 1.00 0.00 C ATOM 71 CG ASP A 8 -4.854 -6.969 6.182 1.00 0.00 C ATOM 72 OD1 ASP A 8 -5.171 -7.786 5.294 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.235 -7.064 7.368 1.00 0.00 O ATOM 0 HA ASP A 8 -3.472 -6.786 3.956 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.415 -5.466 6.683 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.582 -4.967 5.475 1.00 0.00 H new ATOM 78 N TYR A 9 -3.094 -4.565 2.876 1.00 0.00 N ATOM 79 CA TYR A 9 -2.716 -3.378 2.117 1.00 0.00 C ATOM 80 C TYR A 9 -2.643 -2.153 3.023 1.00 0.00 C ATOM 81 O TYR A 9 -1.579 -1.556 3.194 1.00 0.00 O ATOM 82 CB TYR A 9 -3.716 -3.131 0.986 1.00 0.00 C ATOM 83 CG TYR A 9 -3.900 -4.319 0.070 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.832 -5.150 -0.246 1.00 0.00 C ATOM 85 CD2 TYR A 9 -5.142 -4.611 -0.481 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.995 -6.236 -1.083 1.00 0.00 C ATOM 87 CE2 TYR A 9 -5.314 -5.697 -1.318 1.00 0.00 C ATOM 88 CZ TYR A 9 -4.238 -6.506 -1.616 1.00 0.00 C ATOM 89 OH TYR A 9 -4.406 -7.587 -2.451 1.00 0.00 O ATOM 0 H TYR A 9 -3.857 -5.104 2.465 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.728 -3.550 1.689 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.680 -2.863 1.417 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.382 -2.277 0.397 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.857 -4.943 0.170 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.987 -3.979 -0.251 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -2.154 -6.871 -1.319 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -6.286 -5.911 -1.737 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.342 -7.636 -2.738 1.00 0.00 H new ATOM 99 N TYR A 10 -3.780 -1.784 3.601 1.00 0.00 N ATOM 100 CA TYR A 10 -3.847 -0.629 4.489 1.00 0.00 C ATOM 101 C TYR A 10 -2.650 -0.599 5.435 1.00 0.00 C ATOM 102 O TYR A 10 -2.002 0.433 5.600 1.00 0.00 O ATOM 103 CB TYR A 10 -5.147 -0.652 5.293 1.00 0.00 C ATOM 104 CG TYR A 10 -6.375 -0.336 4.469 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.554 0.922 3.908 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.356 -1.297 4.252 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.675 1.215 3.155 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.479 -1.013 3.499 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.634 0.244 2.953 1.00 0.00 C ATOM 110 OH TYR A 10 -9.751 0.532 2.203 1.00 0.00 O ATOM 0 H TYR A 10 -4.668 -2.268 3.471 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.824 0.271 3.875 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.267 -1.636 5.746 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -5.072 0.067 6.109 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.804 1.684 4.063 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.238 -2.282 4.679 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.800 2.199 2.727 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.231 -1.771 3.339 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.327 -0.260 2.156 1.00 0.00 H new ATOM 120 N GLU A 11 -2.365 -1.741 6.054 1.00 0.00 N ATOM 121 CA GLU A 11 -1.247 -1.846 6.984 1.00 0.00 C ATOM 122 C GLU A 11 0.077 -1.569 6.277 1.00 0.00 C ATOM 123 O GLU A 11 0.843 -0.698 6.690 1.00 0.00 O ATOM 124 CB GLU A 11 -1.215 -3.236 7.622 1.00 0.00 C ATOM 125 CG GLU A 11 -2.116 -3.368 8.839 1.00 0.00 C ATOM 126 CD GLU A 11 -2.412 -4.812 9.192 1.00 0.00 C ATOM 127 OE1 GLU A 11 -1.499 -5.654 9.058 1.00 0.00 O ATOM 128 OE2 GLU A 11 -3.556 -5.101 9.601 1.00 0.00 O ATOM 0 H GLU A 11 -2.892 -2.605 5.928 1.00 0.00 H new ATOM 0 HA GLU A 11 -1.386 -1.098 7.765 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -1.513 -3.975 6.878 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.191 -3.470 7.912 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -1.643 -2.879 9.691 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -3.053 -2.844 8.651 1.00 0.00 H new ATOM 135 N ILE A 12 0.339 -2.316 5.210 1.00 0.00 N ATOM 136 CA ILE A 12 1.569 -2.150 4.445 1.00 0.00 C ATOM 137 C ILE A 12 1.919 -0.675 4.280 1.00 0.00 C ATOM 138 O ILE A 12 3.083 -0.287 4.385 1.00 0.00 O ATOM 139 CB ILE A 12 1.458 -2.799 3.053 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.328 -4.318 3.183 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.665 -2.437 2.202 1.00 0.00 C ATOM 142 CD1 ILE A 12 0.988 -5.010 1.881 1.00 0.00 C ATOM 0 H ILE A 12 -0.284 -3.042 4.856 1.00 0.00 H new ATOM 0 HA ILE A 12 2.360 -2.648 5.007 1.00 0.00 H new ATOM 0 HB ILE A 12 0.563 -2.417 2.561 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.265 -4.723 3.566 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.557 -4.547 3.919 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.572 -2.903 1.221 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.717 -1.354 2.086 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.573 -2.793 2.688 1.00 0.00 H new ATOM 0 HD11 ILE A 12 0.912 -6.084 2.049 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.036 -4.633 1.506 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.771 -4.812 1.149 1.00 0.00 H new ATOM 154 N LEU A 13 0.904 0.142 4.022 1.00 0.00 N ATOM 155 CA LEU A 13 1.104 1.577 3.844 1.00 0.00 C ATOM 156 C LEU A 13 1.199 2.285 5.191 1.00 0.00 C ATOM 157 O LEU A 13 2.013 3.189 5.373 1.00 0.00 O ATOM 158 CB LEU A 13 -0.040 2.172 3.021 1.00 0.00 C ATOM 159 CG LEU A 13 -0.311 1.510 1.669 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.709 1.852 1.178 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.735 1.935 0.648 1.00 0.00 C ATOM 0 H LEU A 13 -0.065 -0.164 3.931 1.00 0.00 H new ATOM 0 HA LEU A 13 2.043 1.725 3.310 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.952 2.123 3.616 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.173 3.227 2.850 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.248 0.429 1.796 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.884 1.372 0.215 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.445 1.497 1.899 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.802 2.932 1.067 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.527 1.455 -0.308 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.704 3.018 0.524 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.724 1.638 0.995 1.00 0.00 H new ATOM 173 N GLY A 14 0.361 1.866 6.135 1.00 0.00 N ATOM 174 CA GLY A 14 0.368 2.469 7.455 1.00 0.00 C ATOM 175 C GLY A 14 -0.803 3.407 7.669 1.00 0.00 C ATOM 176 O GLY A 14 -0.622 4.551 8.087 1.00 0.00 O ATOM 0 H GLY A 14 -0.323 1.120 6.009 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.343 1.683 8.210 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.299 3.017 7.596 1.00 0.00 H new ATOM 180 N VAL A 15 -2.007 2.924 7.382 1.00 0.00 N ATOM 181 CA VAL A 15 -3.213 3.727 7.545 1.00 0.00 C ATOM 182 C VAL A 15 -4.351 2.898 8.128 1.00 0.00 C ATOM 183 O VAL A 15 -4.184 1.714 8.421 1.00 0.00 O ATOM 184 CB VAL A 15 -3.668 4.335 6.205 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.547 5.153 5.582 1.00 0.00 C ATOM 186 CG2 VAL A 15 -4.133 3.242 5.256 1.00 0.00 C ATOM 0 H VAL A 15 -2.174 1.979 7.035 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.965 4.533 8.235 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.509 5.002 6.395 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.887 5.575 4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.266 5.960 6.259 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.684 4.511 5.404 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.451 3.689 4.314 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.313 2.549 5.070 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.969 2.704 5.703 1.00 0.00 H new ATOM 196 N SER A 16 -5.510 3.527 8.292 1.00 0.00 N ATOM 197 CA SER A 16 -6.677 2.848 8.843 1.00 0.00 C ATOM 198 C SER A 16 -7.527 2.240 7.731 1.00 0.00 C ATOM 199 O SER A 16 -7.394 2.605 6.563 1.00 0.00 O ATOM 200 CB SER A 16 -7.519 3.823 9.668 1.00 0.00 C ATOM 201 OG SER A 16 -6.971 4.002 10.963 1.00 0.00 O ATOM 0 H SER A 16 -5.666 4.506 8.051 1.00 0.00 H new ATOM 0 HA SER A 16 -6.327 2.044 9.490 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.573 4.784 9.157 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.539 3.448 9.750 1.00 0.00 H new ATOM 0 HG SER A 16 -7.527 4.631 11.469 1.00 0.00 H new ATOM 207 N ARG A 17 -8.400 1.309 8.104 1.00 0.00 N ATOM 208 CA ARG A 17 -9.270 0.648 7.139 1.00 0.00 C ATOM 209 C ARG A 17 -10.378 1.589 6.673 1.00 0.00 C ATOM 210 O ARG A 17 -11.362 1.804 7.380 1.00 0.00 O ATOM 211 CB ARG A 17 -9.882 -0.613 7.752 1.00 0.00 C ATOM 212 CG ARG A 17 -9.014 -1.851 7.590 1.00 0.00 C ATOM 213 CD ARG A 17 -9.325 -2.583 6.294 1.00 0.00 C ATOM 214 NE ARG A 17 -10.581 -3.324 6.372 1.00 0.00 N ATOM 215 CZ ARG A 17 -10.733 -4.439 7.077 1.00 0.00 C ATOM 216 NH1 ARG A 17 -9.714 -4.939 7.762 1.00 0.00 N ATOM 217 NH2 ARG A 17 -11.908 -5.057 7.098 1.00 0.00 N ATOM 0 H ARG A 17 -8.523 0.996 9.067 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.667 0.368 6.275 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.061 -0.441 8.813 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.852 -0.797 7.291 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -7.963 -1.564 7.604 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -9.173 -2.521 8.435 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -9.378 -1.865 5.476 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -8.512 -3.271 6.062 1.00 0.00 H new ATOM 0 HE ARG A 17 -11.385 -2.966 5.857 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -8.810 -4.467 7.749 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -9.834 -5.796 8.303 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.694 -4.675 6.572 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.024 -5.913 7.640 1.00 0.00 H new ATOM 231 N GLY A 18 -10.210 2.147 5.479 1.00 0.00 N ATOM 232 CA GLY A 18 -11.202 3.058 4.939 1.00 0.00 C ATOM 233 C GLY A 18 -10.617 4.412 4.588 1.00 0.00 C ATOM 234 O GLY A 18 -11.349 5.383 4.403 1.00 0.00 O ATOM 0 H GLY A 18 -9.404 1.985 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.649 2.617 4.048 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -12.004 3.190 5.666 1.00 0.00 H new ATOM 238 N ALA A 19 -9.292 4.477 4.498 1.00 0.00 N ATOM 239 CA ALA A 19 -8.609 5.721 4.167 1.00 0.00 C ATOM 240 C ALA A 19 -8.908 6.146 2.734 1.00 0.00 C ATOM 241 O ALA A 19 -8.948 5.317 1.825 1.00 0.00 O ATOM 242 CB ALA A 19 -7.109 5.570 4.373 1.00 0.00 C ATOM 0 H ALA A 19 -8.671 3.682 4.650 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.980 6.499 4.834 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.611 6.507 4.122 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.908 5.320 5.415 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.732 4.775 3.730 1.00 0.00 H new ATOM 248 N SER A 20 -9.118 7.444 2.538 1.00 0.00 N ATOM 249 CA SER A 20 -9.418 7.979 1.215 1.00 0.00 C ATOM 250 C SER A 20 -8.182 7.940 0.321 1.00 0.00 C ATOM 251 O SER A 20 -7.111 7.503 0.741 1.00 0.00 O ATOM 252 CB SER A 20 -9.935 9.415 1.327 1.00 0.00 C ATOM 253 OG SER A 20 -9.310 10.100 2.399 1.00 0.00 O ATOM 0 H SER A 20 -9.086 8.145 3.279 1.00 0.00 H new ATOM 0 HA SER A 20 -10.191 7.356 0.765 1.00 0.00 H new ATOM 0 HB2 SER A 20 -9.748 9.946 0.394 1.00 0.00 H new ATOM 0 HB3 SER A 20 -11.015 9.405 1.477 1.00 0.00 H new ATOM 0 HG SER A 20 -9.656 11.016 2.448 1.00 0.00 H new ATOM 259 N ASP A 21 -8.340 8.401 -0.915 1.00 0.00 N ATOM 260 CA ASP A 21 -7.238 8.421 -1.870 1.00 0.00 C ATOM 261 C ASP A 21 -6.088 9.282 -1.356 1.00 0.00 C ATOM 262 O ASP A 21 -4.988 8.785 -1.117 1.00 0.00 O ATOM 263 CB ASP A 21 -7.718 8.946 -3.225 1.00 0.00 C ATOM 264 CG ASP A 21 -8.970 8.240 -3.708 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.042 7.001 -3.572 1.00 0.00 O ATOM 266 OD2 ASP A 21 -9.877 8.927 -4.224 1.00 0.00 O ATOM 0 H ASP A 21 -9.220 8.766 -1.279 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.877 7.400 -1.992 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.914 10.016 -3.148 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -6.925 8.819 -3.962 1.00 0.00 H new ATOM 271 N GLU A 22 -6.352 10.574 -1.189 1.00 0.00 N ATOM 272 CA GLU A 22 -5.337 11.503 -0.705 1.00 0.00 C ATOM 273 C GLU A 22 -4.518 10.876 0.419 1.00 0.00 C ATOM 274 O GLU A 22 -3.288 10.932 0.411 1.00 0.00 O ATOM 275 CB GLU A 22 -5.991 12.796 -0.214 1.00 0.00 C ATOM 276 CG GLU A 22 -5.109 14.023 -0.372 1.00 0.00 C ATOM 277 CD GLU A 22 -5.104 14.560 -1.790 1.00 0.00 C ATOM 278 OE1 GLU A 22 -4.429 13.956 -2.650 1.00 0.00 O ATOM 279 OE2 GLU A 22 -5.775 15.583 -2.040 1.00 0.00 O ATOM 0 H GLU A 22 -7.258 11.001 -1.381 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.668 11.734 -1.534 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.920 12.954 -0.762 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -6.256 12.683 0.837 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -5.454 14.803 0.307 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -4.089 13.773 -0.079 1.00 0.00 H new ATOM 286 N ASP A 23 -5.208 10.281 1.385 1.00 0.00 N ATOM 287 CA ASP A 23 -4.546 9.643 2.517 1.00 0.00 C ATOM 288 C ASP A 23 -3.626 8.521 2.046 1.00 0.00 C ATOM 289 O ASP A 23 -2.446 8.481 2.400 1.00 0.00 O ATOM 290 CB ASP A 23 -5.582 9.092 3.498 1.00 0.00 C ATOM 291 CG ASP A 23 -6.300 10.189 4.259 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.657 11.208 3.633 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.502 10.029 5.481 1.00 0.00 O ATOM 0 H ASP A 23 -6.226 10.227 1.407 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.942 10.396 3.024 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.312 8.494 2.953 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -5.089 8.425 4.206 1.00 0.00 H new ATOM 298 N LEU A 24 -4.172 7.611 1.248 1.00 0.00 N ATOM 299 CA LEU A 24 -3.401 6.486 0.729 1.00 0.00 C ATOM 300 C LEU A 24 -2.165 6.974 -0.021 1.00 0.00 C ATOM 301 O LEU A 24 -1.072 6.431 0.141 1.00 0.00 O ATOM 302 CB LEU A 24 -4.268 5.631 -0.196 1.00 0.00 C ATOM 303 CG LEU A 24 -5.451 4.919 0.462 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.507 4.568 -0.575 1.00 0.00 C ATOM 305 CD2 LEU A 24 -4.982 3.670 1.193 1.00 0.00 C ATOM 0 H LEU A 24 -5.146 7.630 0.946 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.075 5.879 1.574 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.651 6.268 -0.994 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.633 4.880 -0.665 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.898 5.595 1.191 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.341 4.062 -0.088 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.865 5.480 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.073 3.910 -1.328 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.837 3.176 1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.509 2.990 0.485 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.263 3.948 1.964 1.00 0.00 H new ATOM 317 N LYS A 25 -2.346 8.003 -0.842 1.00 0.00 N ATOM 318 CA LYS A 25 -1.246 8.567 -1.616 1.00 0.00 C ATOM 319 C LYS A 25 -0.164 9.125 -0.696 1.00 0.00 C ATOM 320 O LYS A 25 0.952 8.607 -0.648 1.00 0.00 O ATOM 321 CB LYS A 25 -1.761 9.671 -2.543 1.00 0.00 C ATOM 322 CG LYS A 25 -0.834 9.967 -3.709 1.00 0.00 C ATOM 323 CD LYS A 25 -1.523 10.809 -4.769 1.00 0.00 C ATOM 324 CE LYS A 25 -2.040 12.118 -4.192 1.00 0.00 C ATOM 325 NZ LYS A 25 -0.931 13.054 -3.859 1.00 0.00 N ATOM 0 H LYS A 25 -3.244 8.464 -0.989 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.811 7.769 -2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.738 9.382 -2.931 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.905 10.583 -1.963 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.052 10.489 -3.347 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.494 9.031 -4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -0.825 11.018 -5.580 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.352 10.247 -5.199 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -2.711 12.591 -4.909 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.624 11.914 -3.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -1.325 13.934 -3.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -0.304 12.613 -3.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -0.388 13.269 -4.720 1.00 0.00 H new ATOM 339 N LYS A 26 -0.502 10.183 0.033 1.00 0.00 N ATOM 340 CA LYS A 26 0.439 10.810 0.954 1.00 0.00 C ATOM 341 C LYS A 26 1.312 9.762 1.637 1.00 0.00 C ATOM 342 O LYS A 26 2.537 9.794 1.529 1.00 0.00 O ATOM 343 CB LYS A 26 -0.313 11.628 2.006 1.00 0.00 C ATOM 344 CG LYS A 26 -0.823 12.962 1.489 1.00 0.00 C ATOM 345 CD LYS A 26 -1.150 13.913 2.628 1.00 0.00 C ATOM 346 CE LYS A 26 -2.074 15.032 2.172 1.00 0.00 C ATOM 347 NZ LYS A 26 -2.440 15.941 3.293 1.00 0.00 N ATOM 0 H LYS A 26 -1.421 10.625 0.004 1.00 0.00 H new ATOM 0 HA LYS A 26 1.083 11.475 0.379 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -1.157 11.044 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.346 11.805 2.856 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -0.072 13.413 0.841 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.713 12.801 0.881 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.620 13.360 3.441 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.228 14.339 3.023 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -1.587 15.606 1.383 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.979 14.603 1.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -3.070 16.690 2.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -2.927 15.399 4.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.579 16.370 3.687 1.00 0.00 H new ATOM 361 N ALA A 27 0.672 8.833 2.340 1.00 0.00 N ATOM 362 CA ALA A 27 1.390 7.774 3.038 1.00 0.00 C ATOM 363 C ALA A 27 2.254 6.969 2.073 1.00 0.00 C ATOM 364 O ALA A 27 3.461 6.828 2.276 1.00 0.00 O ATOM 365 CB ALA A 27 0.411 6.860 3.761 1.00 0.00 C ATOM 0 H ALA A 27 -0.342 8.793 2.441 1.00 0.00 H new ATOM 0 HA ALA A 27 2.047 8.238 3.773 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.961 6.074 4.278 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.161 7.440 4.486 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.270 6.411 3.038 1.00 0.00 H new ATOM 371 N TYR A 28 1.630 6.442 1.026 1.00 0.00 N ATOM 372 CA TYR A 28 2.342 5.648 0.031 1.00 0.00 C ATOM 373 C TYR A 28 3.639 6.335 -0.387 1.00 0.00 C ATOM 374 O TYR A 28 4.697 5.709 -0.439 1.00 0.00 O ATOM 375 CB TYR A 28 1.457 5.414 -1.194 1.00 0.00 C ATOM 376 CG TYR A 28 2.177 4.743 -2.342 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.943 3.603 -2.136 1.00 0.00 C ATOM 378 CD2 TYR A 28 2.091 5.250 -3.633 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.604 2.987 -3.181 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.746 4.640 -4.685 1.00 0.00 C ATOM 381 CZ TYR A 28 3.502 3.509 -4.454 1.00 0.00 C ATOM 382 OH TYR A 28 4.157 2.898 -5.498 1.00 0.00 O ATOM 0 H TYR A 28 0.632 6.550 0.844 1.00 0.00 H new ATOM 0 HA TYR A 28 2.590 4.686 0.480 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.604 4.801 -0.904 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.061 6.371 -1.534 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.023 3.191 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.502 6.136 -3.817 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.197 2.102 -3.003 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.667 5.046 -5.683 1.00 0.00 H new ATOM 0 HH TYR A 28 5.112 2.827 -5.288 1.00 0.00 H new ATOM 392 N ARG A 29 3.547 7.627 -0.685 1.00 0.00 N ATOM 393 CA ARG A 29 4.711 8.400 -1.099 1.00 0.00 C ATOM 394 C ARG A 29 5.775 8.410 -0.006 1.00 0.00 C ATOM 395 O ARG A 29 6.867 7.870 -0.184 1.00 0.00 O ATOM 396 CB ARG A 29 4.302 9.835 -1.441 1.00 0.00 C ATOM 397 CG ARG A 29 3.641 9.972 -2.802 1.00 0.00 C ATOM 398 CD ARG A 29 3.906 11.338 -3.415 1.00 0.00 C ATOM 399 NE ARG A 29 5.191 11.388 -4.107 1.00 0.00 N ATOM 400 CZ ARG A 29 5.425 10.786 -5.267 1.00 0.00 C ATOM 401 NH1 ARG A 29 4.465 10.092 -5.863 1.00 0.00 N ATOM 402 NH2 ARG A 29 6.621 10.877 -5.835 1.00 0.00 N ATOM 0 H ARG A 29 2.678 8.160 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 29 5.132 7.928 -1.987 1.00 0.00 H new ATOM 0 HB2 ARG A 29 3.617 10.201 -0.676 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.185 10.473 -1.410 1.00 0.00 H new ATOM 0 HG2 ARG A 29 4.014 9.194 -3.469 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.566 9.819 -2.703 1.00 0.00 H new ATOM 0 HD2 ARG A 29 3.107 11.582 -4.116 1.00 0.00 H new ATOM 0 HD3 ARG A 29 3.886 12.096 -2.632 1.00 0.00 H new ATOM 0 HE ARG A 29 5.951 11.914 -3.675 1.00 0.00 H new ATOM 0 HH11 ARG A 29 3.544 10.020 -5.430 1.00 0.00 H new ATOM 0 HH12 ARG A 29 4.647 9.630 -6.754 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.362 11.410 -5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 29 6.799 10.414 -6.726 1.00 0.00 H new ATOM 416 N ARG A 30 5.449 9.027 1.125 1.00 0.00 N ATOM 417 CA ARG A 30 6.377 9.108 2.246 1.00 0.00 C ATOM 418 C ARG A 30 7.188 7.822 2.375 1.00 0.00 C ATOM 419 O ARG A 30 8.351 7.847 2.781 1.00 0.00 O ATOM 420 CB ARG A 30 5.616 9.376 3.547 1.00 0.00 C ATOM 421 CG ARG A 30 6.491 9.310 4.788 1.00 0.00 C ATOM 422 CD ARG A 30 5.898 10.120 5.931 1.00 0.00 C ATOM 423 NE ARG A 30 6.915 10.529 6.897 1.00 0.00 N ATOM 424 CZ ARG A 30 6.702 11.427 7.852 1.00 0.00 C ATOM 425 NH1 ARG A 30 5.515 12.006 7.969 1.00 0.00 N ATOM 426 NH2 ARG A 30 7.677 11.746 8.693 1.00 0.00 N ATOM 0 H ARG A 30 4.549 9.478 1.289 1.00 0.00 H new ATOM 0 HA ARG A 30 7.064 9.933 2.057 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.153 10.361 3.491 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.809 8.649 3.642 1.00 0.00 H new ATOM 0 HG2 ARG A 30 6.607 8.272 5.098 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.487 9.685 4.553 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.403 11.004 5.530 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.135 9.529 6.437 1.00 0.00 H new ATOM 0 HE ARG A 30 7.839 10.102 6.835 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.763 11.762 7.325 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.354 12.695 8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 30 8.591 11.302 8.606 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.513 12.436 9.426 1.00 0.00 H new ATOM 440 N LEU A 31 6.568 6.700 2.027 1.00 0.00 N ATOM 441 CA LEU A 31 7.232 5.404 2.103 1.00 0.00 C ATOM 442 C LEU A 31 8.149 5.190 0.903 1.00 0.00 C ATOM 443 O LEU A 31 9.364 5.063 1.052 1.00 0.00 O ATOM 444 CB LEU A 31 6.196 4.281 2.174 1.00 0.00 C ATOM 445 CG LEU A 31 5.226 4.336 3.355 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.215 3.203 3.269 1.00 0.00 C ATOM 447 CD2 LEU A 31 5.987 4.275 4.672 1.00 0.00 C ATOM 0 H LEU A 31 5.606 6.662 1.689 1.00 0.00 H new ATOM 0 HA LEU A 31 7.839 5.388 3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.615 4.291 1.252 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.724 3.328 2.208 1.00 0.00 H new ATOM 0 HG LEU A 31 4.685 5.282 3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.533 3.258 4.118 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.648 3.291 2.342 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.738 2.247 3.286 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.282 4.315 5.502 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.554 3.345 4.722 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.671 5.121 4.736 1.00 0.00 H new ATOM 459 N ALA A 32 7.559 5.154 -0.287 1.00 0.00 N ATOM 460 CA ALA A 32 8.323 4.960 -1.513 1.00 0.00 C ATOM 461 C ALA A 32 9.610 5.777 -1.493 1.00 0.00 C ATOM 462 O ALA A 32 10.696 5.251 -1.741 1.00 0.00 O ATOM 463 CB ALA A 32 7.480 5.330 -2.725 1.00 0.00 C ATOM 0 H ALA A 32 6.554 5.257 -0.428 1.00 0.00 H new ATOM 0 HA ALA A 32 8.593 3.906 -1.580 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.063 5.180 -3.633 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.591 4.700 -2.756 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.181 6.376 -2.654 1.00 0.00 H new ATOM 469 N LEU A 33 9.482 7.066 -1.197 1.00 0.00 N ATOM 470 CA LEU A 33 10.636 7.957 -1.145 1.00 0.00 C ATOM 471 C LEU A 33 11.716 7.396 -0.224 1.00 0.00 C ATOM 472 O LEU A 33 12.909 7.581 -0.464 1.00 0.00 O ATOM 473 CB LEU A 33 10.212 9.346 -0.665 1.00 0.00 C ATOM 474 CG LEU A 33 9.543 10.241 -1.710 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.560 10.713 -2.738 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.398 9.504 -2.389 1.00 0.00 C ATOM 0 H LEU A 33 8.591 7.517 -0.989 1.00 0.00 H new ATOM 0 HA LEU A 33 11.048 8.037 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.526 9.225 0.174 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.093 9.862 -0.284 1.00 0.00 H new ATOM 0 HG LEU A 33 9.136 11.116 -1.204 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.066 11.348 -3.473 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.346 11.279 -2.239 1.00 0.00 H new ATOM 0 HD13 LEU A 33 10.998 9.850 -3.240 1.00 0.00 H new ATOM 0 HD21 LEU A 33 7.934 10.156 -3.129 1.00 0.00 H new ATOM 0 HD22 LEU A 33 8.782 8.611 -2.882 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.657 9.217 -1.643 1.00 0.00 H new ATOM 488 N LYS A 34 11.289 6.709 0.830 1.00 0.00 N ATOM 489 CA LYS A 34 12.218 6.118 1.786 1.00 0.00 C ATOM 490 C LYS A 34 12.735 4.775 1.282 1.00 0.00 C ATOM 491 O LYS A 34 13.855 4.372 1.597 1.00 0.00 O ATOM 492 CB LYS A 34 11.537 5.937 3.144 1.00 0.00 C ATOM 493 CG LYS A 34 12.363 5.138 4.137 1.00 0.00 C ATOM 494 CD LYS A 34 11.483 4.433 5.156 1.00 0.00 C ATOM 495 CE LYS A 34 12.249 3.348 5.897 1.00 0.00 C ATOM 496 NZ LYS A 34 11.637 3.043 7.220 1.00 0.00 N ATOM 0 H LYS A 34 10.305 6.548 1.044 1.00 0.00 H new ATOM 0 HA LYS A 34 13.065 6.795 1.898 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.324 6.918 3.568 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.579 5.439 2.997 1.00 0.00 H new ATOM 0 HG2 LYS A 34 12.964 4.402 3.603 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.057 5.802 4.652 1.00 0.00 H new ATOM 0 HD2 LYS A 34 11.097 5.160 5.870 1.00 0.00 H new ATOM 0 HD3 LYS A 34 10.622 3.993 4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 34 12.274 2.442 5.291 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.282 3.665 6.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 12.188 2.299 7.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 11.636 3.901 7.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 10.659 2.716 7.083 1.00 0.00 H new ATOM 510 N PHE A 35 11.914 4.086 0.496 1.00 0.00 N ATOM 511 CA PHE A 35 12.290 2.788 -0.053 1.00 0.00 C ATOM 512 C PHE A 35 12.541 2.884 -1.555 1.00 0.00 C ATOM 513 O PHE A 35 12.397 1.902 -2.284 1.00 0.00 O ATOM 514 CB PHE A 35 11.196 1.756 0.228 1.00 0.00 C ATOM 515 CG PHE A 35 10.952 1.524 1.692 1.00 0.00 C ATOM 516 CD1 PHE A 35 11.809 0.726 2.433 1.00 0.00 C ATOM 517 CD2 PHE A 35 9.866 2.104 2.327 1.00 0.00 C ATOM 518 CE1 PHE A 35 11.587 0.511 3.780 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.640 1.893 3.674 1.00 0.00 C ATOM 520 CZ PHE A 35 10.501 1.094 4.401 1.00 0.00 C ATOM 0 H PHE A 35 10.984 4.405 0.225 1.00 0.00 H new ATOM 0 HA PHE A 35 13.213 2.470 0.432 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.268 2.086 -0.239 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.470 0.811 -0.241 1.00 0.00 H new ATOM 0 HD1 PHE A 35 12.660 0.267 1.952 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.188 2.728 1.763 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.263 -0.113 4.346 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.791 2.352 4.158 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.325 0.926 5.453 1.00 0.00 H new ATOM 530 N HIS A 36 12.916 4.075 -2.011 1.00 0.00 N ATOM 531 CA HIS A 36 13.187 4.301 -3.426 1.00 0.00 C ATOM 532 C HIS A 36 14.610 3.880 -3.781 1.00 0.00 C ATOM 533 O HIS A 36 15.555 4.095 -3.021 1.00 0.00 O ATOM 534 CB HIS A 36 12.976 5.773 -3.779 1.00 0.00 C ATOM 535 CG HIS A 36 12.526 5.992 -5.191 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.381 6.377 -6.202 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.303 5.875 -5.759 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.703 6.490 -7.330 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.440 6.190 -7.089 1.00 0.00 N ATOM 0 H HIS A 36 13.039 4.898 -1.421 1.00 0.00 H new ATOM 0 HA HIS A 36 12.492 3.693 -4.005 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.236 6.198 -3.101 1.00 0.00 H new ATOM 0 HB3 HIS A 36 13.908 6.315 -3.615 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.390 5.588 -5.260 1.00 0.00 H new ATOM 0 HE1 HIS A 36 13.112 6.779 -8.287 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.688 6.192 -7.778 1.00 0.00 H new ATOM 547 N PRO A 37 14.769 3.264 -4.962 1.00 0.00 N ATOM 548 CA PRO A 37 16.074 2.800 -5.443 1.00 0.00 C ATOM 549 C PRO A 37 17.001 3.954 -5.809 1.00 0.00 C ATOM 550 O PRO A 37 18.214 3.778 -5.917 1.00 0.00 O ATOM 551 CB PRO A 37 15.722 1.982 -6.688 1.00 0.00 C ATOM 552 CG PRO A 37 14.424 2.545 -7.157 1.00 0.00 C ATOM 553 CD PRO A 37 13.688 2.975 -5.918 1.00 0.00 C ATOM 0 HA PRO A 37 16.611 2.234 -4.682 1.00 0.00 H new ATOM 0 HB2 PRO A 37 16.493 2.074 -7.453 1.00 0.00 H new ATOM 0 HB3 PRO A 37 15.632 0.922 -6.452 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.584 3.389 -7.828 1.00 0.00 H new ATOM 0 HG3 PRO A 37 13.853 1.800 -7.712 1.00 0.00 H new ATOM 0 HD2 PRO A 37 13.069 3.853 -6.103 1.00 0.00 H new ATOM 0 HD3 PRO A 37 13.026 2.190 -5.551 1.00 0.00 H new ATOM 561 N ASP A 38 16.422 5.135 -5.998 1.00 0.00 N ATOM 562 CA ASP A 38 17.197 6.319 -6.351 1.00 0.00 C ATOM 563 C ASP A 38 17.661 7.057 -5.099 1.00 0.00 C ATOM 564 O ASP A 38 18.772 7.586 -5.053 1.00 0.00 O ATOM 565 CB ASP A 38 16.366 7.255 -7.230 1.00 0.00 C ATOM 566 CG ASP A 38 16.222 6.739 -8.649 1.00 0.00 C ATOM 567 OD1 ASP A 38 17.198 6.844 -9.420 1.00 0.00 O ATOM 568 OD2 ASP A 38 15.132 6.232 -8.988 1.00 0.00 O ATOM 0 H ASP A 38 15.419 5.298 -5.913 1.00 0.00 H new ATOM 0 HA ASP A 38 18.076 5.995 -6.908 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.377 7.380 -6.789 1.00 0.00 H new ATOM 0 HB3 ASP A 38 16.833 8.240 -7.250 1.00 0.00 H new ATOM 573 N LYS A 39 16.804 7.088 -4.084 1.00 0.00 N ATOM 574 CA LYS A 39 17.125 7.760 -2.831 1.00 0.00 C ATOM 575 C LYS A 39 17.882 6.827 -1.891 1.00 0.00 C ATOM 576 O LYS A 39 18.920 7.193 -1.341 1.00 0.00 O ATOM 577 CB LYS A 39 15.847 8.257 -2.153 1.00 0.00 C ATOM 578 CG LYS A 39 15.165 9.393 -2.897 1.00 0.00 C ATOM 579 CD LYS A 39 14.404 10.304 -1.948 1.00 0.00 C ATOM 580 CE LYS A 39 14.238 11.699 -2.529 1.00 0.00 C ATOM 581 NZ LYS A 39 15.495 12.492 -2.437 1.00 0.00 N ATOM 0 H LYS A 39 15.881 6.655 -4.105 1.00 0.00 H new ATOM 0 HA LYS A 39 17.764 8.613 -3.059 1.00 0.00 H new ATOM 0 HB2 LYS A 39 15.149 7.425 -2.058 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.087 8.588 -1.143 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.911 9.973 -3.440 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.479 8.983 -3.638 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.423 9.876 -1.739 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.934 10.365 -0.997 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.932 11.624 -3.572 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.440 12.220 -2.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 15.310 13.472 -2.733 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.838 12.486 -1.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 16.216 12.073 -3.058 1.00 0.00 H new ATOM 595 N ASN A 40 17.356 5.619 -1.714 1.00 0.00 N ATOM 596 CA ASN A 40 17.983 4.633 -0.841 1.00 0.00 C ATOM 597 C ASN A 40 19.255 4.078 -1.474 1.00 0.00 C ATOM 598 O ASN A 40 19.392 4.051 -2.698 1.00 0.00 O ATOM 599 CB ASN A 40 17.008 3.492 -0.543 1.00 0.00 C ATOM 600 CG ASN A 40 17.363 2.746 0.729 1.00 0.00 C ATOM 601 OD1 ASN A 40 18.492 2.287 0.898 1.00 0.00 O ATOM 602 ND2 ASN A 40 16.396 2.622 1.631 1.00 0.00 N ATOM 0 H ASN A 40 16.498 5.300 -2.163 1.00 0.00 H new ATOM 0 HA ASN A 40 18.249 5.128 0.093 1.00 0.00 H new ATOM 0 HB2 ASN A 40 15.998 3.894 -0.456 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.002 2.794 -1.381 1.00 0.00 H new ATOM 0 HD21 ASN A 40 16.575 2.130 2.506 1.00 0.00 H new ATOM 0 HD22 ASN A 40 15.474 3.019 1.448 1.00 0.00 H new ATOM 650 N GLY A 44 17.753 -3.932 0.201 1.00 0.00 N ATOM 651 CA GLY A 44 16.779 -4.409 1.166 1.00 0.00 C ATOM 652 C GLY A 44 15.569 -3.502 1.264 1.00 0.00 C ATOM 653 O GLY A 44 14.434 -3.975 1.323 1.00 0.00 O ATOM 0 HA2 GLY A 44 16.456 -5.412 0.886 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.251 -4.488 2.145 1.00 0.00 H new ATOM 657 N ALA A 45 15.810 -2.195 1.282 1.00 0.00 N ATOM 658 CA ALA A 45 14.730 -1.220 1.374 1.00 0.00 C ATOM 659 C ALA A 45 13.934 -1.160 0.075 1.00 0.00 C ATOM 660 O ALA A 45 12.704 -1.231 0.084 1.00 0.00 O ATOM 661 CB ALA A 45 15.287 0.153 1.718 1.00 0.00 C ATOM 0 H ALA A 45 16.744 -1.787 1.234 1.00 0.00 H new ATOM 0 HA ALA A 45 14.055 -1.535 2.169 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.470 0.871 1.784 1.00 0.00 H new ATOM 0 HB2 ALA A 45 15.806 0.106 2.675 1.00 0.00 H new ATOM 0 HB3 ALA A 45 15.985 0.467 0.942 1.00 0.00 H new ATOM 667 N THR A 46 14.642 -1.027 -1.043 1.00 0.00 N ATOM 668 CA THR A 46 14.001 -0.955 -2.350 1.00 0.00 C ATOM 669 C THR A 46 13.059 -2.135 -2.566 1.00 0.00 C ATOM 670 O THR A 46 11.893 -1.953 -2.913 1.00 0.00 O ATOM 671 CB THR A 46 15.042 -0.929 -3.485 1.00 0.00 C ATOM 672 OG1 THR A 46 16.109 -0.035 -3.150 1.00 0.00 O ATOM 673 CG2 THR A 46 14.402 -0.494 -4.795 1.00 0.00 C ATOM 0 H THR A 46 15.660 -0.967 -1.069 1.00 0.00 H new ATOM 0 HA THR A 46 13.428 -0.028 -2.371 1.00 0.00 H new ATOM 0 HB THR A 46 15.438 -1.937 -3.609 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.768 -0.025 -3.876 1.00 0.00 H new ATOM 0 HG21 THR A 46 15.156 -0.483 -5.582 1.00 0.00 H new ATOM 0 HG22 THR A 46 13.609 -1.192 -5.062 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.982 0.505 -4.681 1.00 0.00 H new ATOM 681 N GLU A 47 13.574 -3.343 -2.359 1.00 0.00 N ATOM 682 CA GLU A 47 12.777 -4.552 -2.532 1.00 0.00 C ATOM 683 C GLU A 47 11.366 -4.356 -1.986 1.00 0.00 C ATOM 684 O GLU A 47 10.392 -4.828 -2.571 1.00 0.00 O ATOM 685 CB GLU A 47 13.447 -5.735 -1.831 1.00 0.00 C ATOM 686 CG GLU A 47 14.585 -6.351 -2.628 1.00 0.00 C ATOM 687 CD GLU A 47 15.177 -7.572 -1.953 1.00 0.00 C ATOM 688 OE1 GLU A 47 15.541 -7.475 -0.762 1.00 0.00 O ATOM 689 OE2 GLU A 47 15.276 -8.626 -2.615 1.00 0.00 O ATOM 0 H GLU A 47 14.538 -3.510 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 47 12.709 -4.762 -3.599 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.829 -5.405 -0.865 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.697 -6.501 -1.633 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.222 -6.628 -3.618 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.367 -5.606 -2.773 1.00 0.00 H new ATOM 696 N ALA A 48 11.264 -3.656 -0.861 1.00 0.00 N ATOM 697 CA ALA A 48 9.973 -3.396 -0.237 1.00 0.00 C ATOM 698 C ALA A 48 9.089 -2.543 -1.140 1.00 0.00 C ATOM 699 O ALA A 48 7.916 -2.853 -1.349 1.00 0.00 O ATOM 700 CB ALA A 48 10.166 -2.716 1.111 1.00 0.00 C ATOM 0 H ALA A 48 12.061 -3.259 -0.363 1.00 0.00 H new ATOM 0 HA ALA A 48 9.473 -4.352 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.194 -2.528 1.566 1.00 0.00 H new ATOM 0 HB2 ALA A 48 10.753 -3.362 1.764 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.690 -1.771 0.970 1.00 0.00 H new ATOM 706 N PHE A 49 9.658 -1.466 -1.672 1.00 0.00 N ATOM 707 CA PHE A 49 8.920 -0.567 -2.551 1.00 0.00 C ATOM 708 C PHE A 49 7.940 -1.344 -3.425 1.00 0.00 C ATOM 709 O PHE A 49 6.765 -0.990 -3.526 1.00 0.00 O ATOM 710 CB PHE A 49 9.888 0.226 -3.432 1.00 0.00 C ATOM 711 CG PHE A 49 9.201 1.168 -4.379 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.128 1.937 -3.957 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.627 1.285 -5.692 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.494 2.805 -4.825 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.997 2.151 -6.566 1.00 0.00 C ATOM 716 CZ PHE A 49 7.929 2.912 -6.132 1.00 0.00 C ATOM 0 H PHE A 49 10.628 -1.195 -1.510 1.00 0.00 H new ATOM 0 HA PHE A 49 8.354 0.126 -1.929 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.565 0.794 -2.794 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.500 -0.471 -4.005 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.783 1.857 -2.937 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.461 0.692 -6.037 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.660 3.399 -4.482 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.339 2.233 -7.587 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.435 3.589 -6.813 1.00 0.00 H new ATOM 726 N LYS A 50 8.431 -2.405 -4.056 1.00 0.00 N ATOM 727 CA LYS A 50 7.601 -3.234 -4.921 1.00 0.00 C ATOM 728 C LYS A 50 6.297 -3.611 -4.225 1.00 0.00 C ATOM 729 O LYS A 50 5.215 -3.466 -4.793 1.00 0.00 O ATOM 730 CB LYS A 50 8.358 -4.500 -5.329 1.00 0.00 C ATOM 731 CG LYS A 50 9.355 -4.276 -6.453 1.00 0.00 C ATOM 732 CD LYS A 50 10.362 -5.412 -6.540 1.00 0.00 C ATOM 733 CE LYS A 50 9.755 -6.646 -7.189 1.00 0.00 C ATOM 734 NZ LYS A 50 9.929 -6.637 -8.668 1.00 0.00 N ATOM 0 H LYS A 50 9.401 -2.711 -3.984 1.00 0.00 H new ATOM 0 HA LYS A 50 7.362 -2.657 -5.815 1.00 0.00 H new ATOM 0 HB2 LYS A 50 8.885 -4.894 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.640 -5.259 -5.638 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.823 -4.187 -7.400 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.880 -3.334 -6.293 1.00 0.00 H new ATOM 0 HD2 LYS A 50 11.230 -5.087 -7.114 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.717 -5.663 -5.540 1.00 0.00 H new ATOM 0 HE2 LYS A 50 10.220 -7.540 -6.774 1.00 0.00 H new ATOM 0 HE3 LYS A 50 8.693 -6.698 -6.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 9.502 -7.494 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 9.464 -5.797 -9.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 10.943 -6.613 -8.898 1.00 0.00 H new ATOM 748 N ALA A 51 6.408 -4.095 -2.992 1.00 0.00 N ATOM 749 CA ALA A 51 5.238 -4.489 -2.218 1.00 0.00 C ATOM 750 C ALA A 51 4.327 -3.295 -1.953 1.00 0.00 C ATOM 751 O ALA A 51 3.160 -3.294 -2.344 1.00 0.00 O ATOM 752 CB ALA A 51 5.665 -5.132 -0.907 1.00 0.00 C ATOM 0 H ALA A 51 7.297 -4.223 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 51 4.676 -5.218 -2.801 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.781 -5.421 -0.339 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.268 -6.016 -1.115 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.252 -4.420 -0.327 1.00 0.00 H new ATOM 758 N ILE A 52 4.868 -2.281 -1.286 1.00 0.00 N ATOM 759 CA ILE A 52 4.104 -1.082 -0.969 1.00 0.00 C ATOM 760 C ILE A 52 3.145 -0.726 -2.100 1.00 0.00 C ATOM 761 O ILE A 52 1.928 -0.721 -1.918 1.00 0.00 O ATOM 762 CB ILE A 52 5.028 0.120 -0.698 1.00 0.00 C ATOM 763 CG1 ILE A 52 6.237 -0.316 0.134 1.00 0.00 C ATOM 764 CG2 ILE A 52 4.263 1.228 0.009 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.981 0.838 0.768 1.00 0.00 C ATOM 0 H ILE A 52 5.833 -2.266 -0.955 1.00 0.00 H new ATOM 0 HA ILE A 52 3.533 -1.302 -0.067 1.00 0.00 H new ATOM 0 HB ILE A 52 5.387 0.506 -1.652 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.903 -0.996 0.917 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.923 -0.875 -0.502 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.930 2.070 0.193 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.432 1.553 -0.617 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.878 0.856 0.958 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.825 0.455 1.342 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.346 1.508 -0.011 1.00 0.00 H new ATOM 0 HD13 ILE A 52 6.309 1.384 1.430 1.00 0.00 H new ATOM 777 N GLY A 53 3.702 -0.431 -3.271 1.00 0.00 N ATOM 778 CA GLY A 53 2.882 -0.080 -4.415 1.00 0.00 C ATOM 779 C GLY A 53 1.723 -1.037 -4.613 1.00 0.00 C ATOM 780 O GLY A 53 0.561 -0.630 -4.590 1.00 0.00 O ATOM 0 H GLY A 53 4.707 -0.429 -3.447 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.496 0.931 -4.285 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.500 -0.072 -5.313 1.00 0.00 H new ATOM 784 N THR A 54 2.038 -2.313 -4.810 1.00 0.00 N ATOM 785 CA THR A 54 1.014 -3.330 -5.016 1.00 0.00 C ATOM 786 C THR A 54 -0.215 -3.055 -4.157 1.00 0.00 C ATOM 787 O THR A 54 -1.348 -3.186 -4.618 1.00 0.00 O ATOM 788 CB THR A 54 1.548 -4.738 -4.691 1.00 0.00 C ATOM 789 OG1 THR A 54 2.385 -5.202 -5.756 1.00 0.00 O ATOM 790 CG2 THR A 54 0.402 -5.715 -4.478 1.00 0.00 C ATOM 0 H THR A 54 2.994 -2.667 -4.831 1.00 0.00 H new ATOM 0 HA THR A 54 0.735 -3.289 -6.069 1.00 0.00 H new ATOM 0 HB THR A 54 2.130 -4.679 -3.771 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.722 -6.097 -5.541 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.803 -6.702 -4.250 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.217 -5.374 -3.648 1.00 0.00 H new ATOM 0 HG23 THR A 54 -0.203 -5.769 -5.383 1.00 0.00 H new ATOM 798 N ALA A 55 0.017 -2.672 -2.906 1.00 0.00 N ATOM 799 CA ALA A 55 -1.072 -2.375 -1.983 1.00 0.00 C ATOM 800 C ALA A 55 -1.784 -1.084 -2.372 1.00 0.00 C ATOM 801 O ALA A 55 -3.012 -1.039 -2.447 1.00 0.00 O ATOM 802 CB ALA A 55 -0.546 -2.282 -0.558 1.00 0.00 C ATOM 0 H ALA A 55 0.949 -2.560 -2.508 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.795 -3.189 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.370 -2.060 0.120 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -0.090 -3.231 -0.276 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.199 -1.489 -0.496 1.00 0.00 H new ATOM 808 N TYR A 56 -1.006 -0.036 -2.617 1.00 0.00 N ATOM 809 CA TYR A 56 -1.563 1.258 -2.995 1.00 0.00 C ATOM 810 C TYR A 56 -2.386 1.144 -4.274 1.00 0.00 C ATOM 811 O TYR A 56 -3.550 1.541 -4.314 1.00 0.00 O ATOM 812 CB TYR A 56 -0.443 2.283 -3.186 1.00 0.00 C ATOM 813 CG TYR A 56 -0.921 3.605 -3.740 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.455 4.580 -2.906 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.838 3.881 -5.100 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.893 5.789 -3.409 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.273 5.089 -5.611 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.800 6.039 -4.762 1.00 0.00 C ATOM 819 OH TYR A 56 -2.235 7.243 -5.267 1.00 0.00 O ATOM 0 H TYR A 56 0.012 -0.057 -2.561 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.219 1.592 -2.191 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.047 2.456 -2.228 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.308 1.867 -3.858 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.529 4.389 -1.846 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.427 3.139 -5.768 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.306 6.535 -2.746 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.201 5.288 -6.670 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.098 7.259 -6.237 1.00 0.00 H new ATOM 829 N ALA A 57 -1.772 0.597 -5.318 1.00 0.00 N ATOM 830 CA ALA A 57 -2.448 0.427 -6.599 1.00 0.00 C ATOM 831 C ALA A 57 -3.852 -0.136 -6.408 1.00 0.00 C ATOM 832 O ALA A 57 -4.749 0.120 -7.212 1.00 0.00 O ATOM 833 CB ALA A 57 -1.633 -0.479 -7.509 1.00 0.00 C ATOM 0 H ALA A 57 -0.808 0.264 -5.302 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.539 1.407 -7.067 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.149 -0.597 -8.462 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -0.652 -0.035 -7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.513 -1.455 -7.038 1.00 0.00 H new ATOM 839 N VAL A 58 -4.037 -0.904 -5.339 1.00 0.00 N ATOM 840 CA VAL A 58 -5.333 -1.503 -5.043 1.00 0.00 C ATOM 841 C VAL A 58 -6.267 -0.494 -4.384 1.00 0.00 C ATOM 842 O VAL A 58 -7.255 -0.064 -4.980 1.00 0.00 O ATOM 843 CB VAL A 58 -5.187 -2.729 -4.122 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.551 -3.316 -3.794 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.288 -3.774 -4.765 1.00 0.00 C ATOM 0 H VAL A 58 -3.306 -1.126 -4.664 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.760 -1.821 -5.994 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.723 -2.408 -3.189 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.428 -4.181 -3.143 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.158 -2.565 -3.289 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.046 -3.623 -4.715 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.196 -4.633 -4.101 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.721 -4.093 -5.713 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.302 -3.346 -4.943 1.00 0.00 H new ATOM 855 N LEU A 59 -5.948 -0.119 -3.150 1.00 0.00 N ATOM 856 CA LEU A 59 -6.758 0.841 -2.408 1.00 0.00 C ATOM 857 C LEU A 59 -7.011 2.096 -3.238 1.00 0.00 C ATOM 858 O LEU A 59 -8.004 2.795 -3.037 1.00 0.00 O ATOM 859 CB LEU A 59 -6.067 1.215 -1.096 1.00 0.00 C ATOM 860 CG LEU A 59 -5.508 0.051 -0.276 1.00 0.00 C ATOM 861 CD1 LEU A 59 -4.948 0.550 1.047 1.00 0.00 C ATOM 862 CD2 LEU A 59 -6.583 -1.000 -0.040 1.00 0.00 C ATOM 0 H LEU A 59 -5.134 -0.465 -2.642 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.718 0.374 -2.186 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.250 1.900 -1.322 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -6.779 1.761 -0.477 1.00 0.00 H new ATOM 0 HG LEU A 59 -4.696 -0.409 -0.840 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.555 -0.292 1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.147 1.265 0.857 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.740 1.036 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.167 -1.821 0.545 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.416 -0.553 0.503 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -6.937 -1.380 -0.998 1.00 0.00 H new ATOM 874 N SER A 60 -6.108 2.373 -4.172 1.00 0.00 N ATOM 875 CA SER A 60 -6.232 3.545 -5.032 1.00 0.00 C ATOM 876 C SER A 60 -7.429 3.406 -5.969 1.00 0.00 C ATOM 877 O SER A 60 -8.071 4.394 -6.323 1.00 0.00 O ATOM 878 CB SER A 60 -4.953 3.744 -5.847 1.00 0.00 C ATOM 879 OG SER A 60 -4.940 2.906 -6.989 1.00 0.00 O ATOM 0 H SER A 60 -5.282 1.802 -4.353 1.00 0.00 H new ATOM 0 HA SER A 60 -6.388 4.417 -4.397 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.874 4.786 -6.156 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.084 3.529 -5.225 1.00 0.00 H new ATOM 0 HG SER A 60 -4.113 3.053 -7.493 1.00 0.00 H new ATOM 885 N ASN A 61 -7.722 2.172 -6.366 1.00 0.00 N ATOM 886 CA ASN A 61 -8.840 1.903 -7.262 1.00 0.00 C ATOM 887 C ASN A 61 -10.112 1.609 -6.472 1.00 0.00 C ATOM 888 O ASN A 61 -10.080 1.006 -5.399 1.00 0.00 O ATOM 889 CB ASN A 61 -8.513 0.724 -8.180 1.00 0.00 C ATOM 890 CG ASN A 61 -7.598 1.118 -9.323 1.00 0.00 C ATOM 891 OD1 ASN A 61 -7.671 2.235 -9.835 1.00 0.00 O ATOM 892 ND2 ASN A 61 -6.729 0.199 -9.729 1.00 0.00 N ATOM 0 H ASN A 61 -7.201 1.343 -6.081 1.00 0.00 H new ATOM 0 HA ASN A 61 -9.008 2.792 -7.870 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -8.042 -0.067 -7.597 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -9.439 0.314 -8.584 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -6.087 0.407 -10.494 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.703 -0.714 -9.276 1.00 0.00 H new ATOM 899 N PRO A 62 -11.259 2.044 -7.013 1.00 0.00 N ATOM 900 CA PRO A 62 -12.563 1.838 -6.377 1.00 0.00 C ATOM 901 C PRO A 62 -12.994 0.375 -6.397 1.00 0.00 C ATOM 902 O PRO A 62 -13.603 -0.115 -5.447 1.00 0.00 O ATOM 903 CB PRO A 62 -13.511 2.687 -7.227 1.00 0.00 C ATOM 904 CG PRO A 62 -12.851 2.772 -8.560 1.00 0.00 C ATOM 905 CD PRO A 62 -11.371 2.770 -8.290 1.00 0.00 C ATOM 0 HA PRO A 62 -12.550 2.115 -5.323 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.496 2.226 -7.302 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.654 3.676 -6.792 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -13.134 1.929 -9.190 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -13.150 3.678 -9.087 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.818 2.271 -9.086 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.975 3.783 -8.213 1.00 0.00 H new ATOM 913 N GLU A 63 -12.673 -0.316 -7.487 1.00 0.00 N ATOM 914 CA GLU A 63 -13.028 -1.723 -7.630 1.00 0.00 C ATOM 915 C GLU A 63 -12.073 -2.609 -6.835 1.00 0.00 C ATOM 916 O GLU A 63 -12.488 -3.585 -6.209 1.00 0.00 O ATOM 917 CB GLU A 63 -13.010 -2.129 -9.105 1.00 0.00 C ATOM 918 CG GLU A 63 -13.688 -3.461 -9.378 1.00 0.00 C ATOM 919 CD GLU A 63 -14.104 -3.617 -10.828 1.00 0.00 C ATOM 920 OE1 GLU A 63 -14.643 -2.645 -11.397 1.00 0.00 O ATOM 921 OE2 GLU A 63 -13.892 -4.711 -11.392 1.00 0.00 O ATOM 0 H GLU A 63 -12.169 0.075 -8.282 1.00 0.00 H new ATOM 0 HA GLU A 63 -14.035 -1.859 -7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -13.502 -1.354 -9.693 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -11.976 -2.180 -9.446 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.010 -4.271 -9.109 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -14.567 -3.555 -8.740 1.00 0.00 H new ATOM 928 N LYS A 64 -10.791 -2.261 -6.864 1.00 0.00 N ATOM 929 CA LYS A 64 -9.775 -3.023 -6.147 1.00 0.00 C ATOM 930 C LYS A 64 -9.859 -2.763 -4.646 1.00 0.00 C ATOM 931 O LYS A 64 -9.467 -3.605 -3.838 1.00 0.00 O ATOM 932 CB LYS A 64 -8.380 -2.660 -6.660 1.00 0.00 C ATOM 933 CG LYS A 64 -8.259 -2.702 -8.174 1.00 0.00 C ATOM 934 CD LYS A 64 -6.844 -3.044 -8.611 1.00 0.00 C ATOM 935 CE LYS A 64 -6.654 -4.545 -8.759 1.00 0.00 C ATOM 936 NZ LYS A 64 -7.468 -5.100 -9.876 1.00 0.00 N ATOM 0 H LYS A 64 -10.431 -1.456 -7.376 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.957 -4.083 -6.326 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -8.122 -1.660 -6.311 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.653 -3.346 -6.226 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.953 -3.440 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.546 -1.736 -8.590 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.627 -2.553 -9.560 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -6.133 -2.656 -7.881 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.600 -4.762 -8.935 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.930 -5.040 -7.828 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -7.029 -5.976 -10.224 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.429 -5.306 -9.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -7.515 -4.406 -10.649 1.00 0.00 H new ATOM 950 N ARG A 65 -10.375 -1.594 -4.281 1.00 0.00 N ATOM 951 CA ARG A 65 -10.511 -1.225 -2.877 1.00 0.00 C ATOM 952 C ARG A 65 -11.793 -1.802 -2.284 1.00 0.00 C ATOM 953 O ARG A 65 -11.752 -2.619 -1.364 1.00 0.00 O ATOM 954 CB ARG A 65 -10.507 0.298 -2.725 1.00 0.00 C ATOM 955 CG ARG A 65 -10.808 0.770 -1.312 1.00 0.00 C ATOM 956 CD ARG A 65 -10.992 2.278 -1.256 1.00 0.00 C ATOM 957 NE ARG A 65 -11.161 2.759 0.112 1.00 0.00 N ATOM 958 CZ ARG A 65 -11.567 3.987 0.415 1.00 0.00 C ATOM 959 NH1 ARG A 65 -11.845 4.853 -0.549 1.00 0.00 N ATOM 960 NH2 ARG A 65 -11.696 4.350 1.685 1.00 0.00 N ATOM 0 H ARG A 65 -10.706 -0.887 -4.937 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.661 -1.640 -2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.533 0.682 -3.028 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.243 0.725 -3.406 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -11.710 0.279 -0.947 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -9.995 0.477 -0.648 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -10.128 2.765 -1.707 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.862 2.559 -1.849 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.956 2.117 0.877 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -11.747 4.577 -1.526 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -12.157 5.795 -0.314 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.483 3.686 2.429 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -12.008 5.293 1.917 1.00 0.00 H new ATOM 974 N LYS A 66 -12.931 -1.372 -2.818 1.00 0.00 N ATOM 975 CA LYS A 66 -14.226 -1.845 -2.344 1.00 0.00 C ATOM 976 C LYS A 66 -14.236 -3.365 -2.214 1.00 0.00 C ATOM 977 O LYS A 66 -14.795 -3.912 -1.263 1.00 0.00 O ATOM 978 CB LYS A 66 -15.337 -1.398 -3.297 1.00 0.00 C ATOM 979 CG LYS A 66 -15.303 -2.101 -4.643 1.00 0.00 C ATOM 980 CD LYS A 66 -16.113 -3.386 -4.621 1.00 0.00 C ATOM 981 CE LYS A 66 -17.574 -3.129 -4.956 1.00 0.00 C ATOM 982 NZ LYS A 66 -18.299 -4.390 -5.278 1.00 0.00 N ATOM 0 H LYS A 66 -12.983 -0.696 -3.580 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.404 -1.412 -1.360 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.303 -1.580 -2.826 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.257 -0.323 -3.456 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.695 -1.436 -5.412 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -14.271 -2.325 -4.912 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -15.694 -4.094 -5.336 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -16.040 -3.847 -3.636 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -18.059 -2.636 -4.113 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -17.638 -2.447 -5.804 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -19.291 -4.173 -5.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.852 -4.848 -6.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -18.260 -5.031 -4.460 1.00 0.00 H new ATOM 996 N GLN A 67 -13.612 -4.040 -3.174 1.00 0.00 N ATOM 997 CA GLN A 67 -13.549 -5.497 -3.165 1.00 0.00 C ATOM 998 C GLN A 67 -12.634 -5.995 -2.051 1.00 0.00 C ATOM 999 O GLN A 67 -12.864 -7.059 -1.475 1.00 0.00 O ATOM 1000 CB GLN A 67 -13.055 -6.015 -4.517 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.540 -6.035 -4.644 1.00 0.00 C ATOM 1002 CD GLN A 67 -11.073 -6.644 -5.951 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -11.849 -6.786 -6.896 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -9.797 -7.008 -6.012 1.00 0.00 N ATOM 0 H GLN A 67 -13.143 -3.602 -3.967 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.554 -5.878 -2.983 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -13.438 -7.024 -4.672 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.470 -5.392 -5.309 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.159 -5.017 -4.565 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -11.117 -6.599 -3.813 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.189 -6.872 -5.205 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.425 -7.423 -6.866 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.598 -5.220 -1.753 1.00 0.00 N ATOM 1014 CA TYR A 68 -10.646 -5.585 -0.709 1.00 0.00 C ATOM 1015 C TYR A 68 -11.246 -5.362 0.676 1.00 0.00 C ATOM 1016 O TYR A 68 -10.983 -6.123 1.608 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.359 -4.771 -0.857 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.361 -5.011 0.253 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -7.586 -6.165 0.279 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -8.192 -4.086 1.275 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -6.673 -6.389 1.291 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -7.281 -4.301 2.290 1.00 0.00 C ATOM 1023 CZ TYR A 68 -6.523 -5.454 2.294 1.00 0.00 C ATOM 1024 OH TYR A 68 -5.615 -5.672 3.304 1.00 0.00 O ATOM 0 H TYR A 68 -11.395 -4.335 -2.219 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.413 -6.644 -0.818 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -8.893 -5.014 -1.812 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.611 -3.711 -0.885 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -7.700 -6.899 -0.505 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -8.784 -3.182 1.276 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.080 -7.291 1.297 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -7.162 -3.571 3.077 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.778 -6.550 3.707 1.00 0.00 H new