USER MOD reduce.3.24.130724 H: found=0, std=0, add=462, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 463 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 25 LYS NZ :NH3+ -157:sc= 0.0359 (180deg=-0.447) USER MOD Set 1.2: A 56 TYR OH : rot 0:sc= 0.0633 USER MOD Set 1.3: A 60 SER OG : rot 133:sc= 0.0627 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= -0.0396 USER MOD Single : A 26 LYS NZ :NH3+ 169:sc= -0.881 (180deg=-1.22) 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= -2.2! C(o=-2.2!,f=-3.4!) USER MOD Single : A 39 LYS NZ :NH3+ -111:sc= -0.966 (180deg=-3.9!) USER MOD Single : A 40 ASN :FLIP amide:sc= -2.78 F(o=-4.6!,f=-2.8) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0.0691 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= -0.114 (180deg=-0.114) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.9 X(o=-1.9,f=-2.1!) USER MOD Single : A 64 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.0393) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 GLN : amide:sc=-0.00721 X(o=-0.0072,f=0) USER MOD Single : A 68 TYR OH : rot 150:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N ASP A 8 -1.965 -6.883 5.360 1.00 0.00 N ATOM 67 CA ASP A 8 -3.034 -5.972 4.968 1.00 0.00 C ATOM 68 C ASP A 8 -2.466 -4.715 4.317 1.00 0.00 C ATOM 69 O ASP A 8 -1.535 -4.101 4.837 1.00 0.00 O ATOM 70 CB ASP A 8 -3.882 -5.593 6.183 1.00 0.00 C ATOM 71 CG ASP A 8 -4.843 -6.694 6.585 1.00 0.00 C ATOM 72 OD1 ASP A 8 -4.520 -7.878 6.353 1.00 0.00 O ATOM 73 OD2 ASP A 8 -5.918 -6.372 7.132 1.00 0.00 O ATOM 0 HA ASP A 8 -3.664 -6.483 4.240 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -3.226 -5.363 7.023 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -4.445 -4.687 5.961 1.00 0.00 H new ATOM 78 N TYR A 9 -3.031 -4.339 3.175 1.00 0.00 N ATOM 79 CA TYR A 9 -2.579 -3.157 2.451 1.00 0.00 C ATOM 80 C TYR A 9 -2.519 -1.943 3.372 1.00 0.00 C ATOM 81 O TYR A 9 -1.475 -1.304 3.509 1.00 0.00 O ATOM 82 CB TYR A 9 -3.508 -2.870 1.270 1.00 0.00 C ATOM 83 CG TYR A 9 -3.524 -3.968 0.231 1.00 0.00 C ATOM 84 CD1 TYR A 9 -2.354 -4.624 -0.133 1.00 0.00 C ATOM 85 CD2 TYR A 9 -4.708 -4.349 -0.388 1.00 0.00 C ATOM 86 CE1 TYR A 9 -2.364 -5.628 -1.082 1.00 0.00 C ATOM 87 CE2 TYR A 9 -4.727 -5.352 -1.338 1.00 0.00 C ATOM 88 CZ TYR A 9 -3.553 -5.988 -1.681 1.00 0.00 C ATOM 89 OH TYR A 9 -3.568 -6.987 -2.628 1.00 0.00 O ATOM 0 H TYR A 9 -3.803 -4.836 2.731 1.00 0.00 H new ATOM 0 HA TYR A 9 -1.575 -3.355 2.075 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.521 -2.720 1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.202 -1.937 0.796 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -1.421 -4.344 0.334 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -5.630 -3.853 -0.122 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -1.446 -6.128 -1.353 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.656 -5.636 -1.809 1.00 0.00 H new ATOM 0 HH TYR A 9 -4.484 -7.118 -2.950 1.00 0.00 H new ATOM 99 N TYR A 10 -3.645 -1.631 4.003 1.00 0.00 N ATOM 100 CA TYR A 10 -3.723 -0.492 4.911 1.00 0.00 C ATOM 101 C TYR A 10 -2.480 -0.412 5.791 1.00 0.00 C ATOM 102 O TYR A 10 -1.973 0.674 6.069 1.00 0.00 O ATOM 103 CB TYR A 10 -4.975 -0.595 5.784 1.00 0.00 C ATOM 104 CG TYR A 10 -6.245 -0.192 5.070 1.00 0.00 C ATOM 105 CD1 TYR A 10 -6.372 1.063 4.489 1.00 0.00 C ATOM 106 CD2 TYR A 10 -7.320 -1.069 4.977 1.00 0.00 C ATOM 107 CE1 TYR A 10 -7.531 1.435 3.837 1.00 0.00 C ATOM 108 CE2 TYR A 10 -8.483 -0.706 4.325 1.00 0.00 C ATOM 109 CZ TYR A 10 -8.584 0.547 3.757 1.00 0.00 C ATOM 110 OH TYR A 10 -9.740 0.913 3.107 1.00 0.00 O ATOM 0 H TYR A 10 -4.517 -2.151 3.903 1.00 0.00 H new ATOM 0 HA TYR A 10 -3.780 0.416 4.311 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -5.077 -1.621 6.139 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.847 0.035 6.664 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -5.550 1.760 4.548 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -7.245 -2.050 5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -7.613 2.416 3.392 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -9.308 -1.400 4.260 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.382 0.173 3.140 1.00 0.00 H new ATOM 120 N GLU A 11 -1.994 -1.571 6.226 1.00 0.00 N ATOM 121 CA GLU A 11 -0.811 -1.632 7.075 1.00 0.00 C ATOM 122 C GLU A 11 0.452 -1.336 6.271 1.00 0.00 C ATOM 123 O GLU A 11 1.235 -0.456 6.627 1.00 0.00 O ATOM 124 CB GLU A 11 -0.698 -3.009 7.733 1.00 0.00 C ATOM 125 CG GLU A 11 -1.553 -3.159 8.980 1.00 0.00 C ATOM 126 CD GLU A 11 -1.099 -2.257 10.111 1.00 0.00 C ATOM 127 OE1 GLU A 11 0.054 -2.409 10.565 1.00 0.00 O ATOM 128 OE2 GLU A 11 -1.898 -1.399 10.542 1.00 0.00 O ATOM 0 H GLU A 11 -2.402 -2.479 6.004 1.00 0.00 H new ATOM 0 HA GLU A 11 -0.913 -0.873 7.851 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -0.987 -3.772 7.011 1.00 0.00 H new ATOM 0 HB3 GLU A 11 0.344 -3.194 7.993 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -2.590 -2.933 8.734 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -1.524 -4.196 9.313 1.00 0.00 H new ATOM 135 N ILE A 12 0.642 -2.078 5.185 1.00 0.00 N ATOM 136 CA ILE A 12 1.808 -1.895 4.330 1.00 0.00 C ATOM 137 C ILE A 12 2.095 -0.415 4.100 1.00 0.00 C ATOM 138 O ILE A 12 3.251 0.007 4.066 1.00 0.00 O ATOM 139 CB ILE A 12 1.622 -2.589 2.967 1.00 0.00 C ATOM 140 CG1 ILE A 12 1.489 -4.101 3.154 1.00 0.00 C ATOM 141 CG2 ILE A 12 2.786 -2.263 2.044 1.00 0.00 C ATOM 142 CD1 ILE A 12 1.143 -4.840 1.880 1.00 0.00 C ATOM 0 H ILE A 12 0.004 -2.811 4.877 1.00 0.00 H new ATOM 0 HA ILE A 12 2.653 -2.350 4.847 1.00 0.00 H new ATOM 0 HB ILE A 12 0.706 -2.218 2.508 1.00 0.00 H new ATOM 0 HG12 ILE A 12 2.426 -4.494 3.549 1.00 0.00 H new ATOM 0 HG13 ILE A 12 0.720 -4.300 3.900 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.640 -2.760 1.085 1.00 0.00 H new ATOM 0 HG22 ILE A 12 2.837 -1.185 1.890 1.00 0.00 H new ATOM 0 HG23 ILE A 12 3.716 -2.609 2.495 1.00 0.00 H new ATOM 0 HD11 ILE A 12 1.065 -5.907 2.088 1.00 0.00 H new ATOM 0 HD12 ILE A 12 0.191 -4.475 1.495 1.00 0.00 H new ATOM 0 HD13 ILE A 12 1.924 -4.671 1.138 1.00 0.00 H new ATOM 154 N LEU A 13 1.034 0.369 3.943 1.00 0.00 N ATOM 155 CA LEU A 13 1.171 1.804 3.718 1.00 0.00 C ATOM 156 C LEU A 13 1.283 2.555 5.041 1.00 0.00 C ATOM 157 O LEU A 13 2.073 3.489 5.172 1.00 0.00 O ATOM 158 CB LEU A 13 -0.023 2.331 2.920 1.00 0.00 C ATOM 159 CG LEU A 13 -0.267 1.671 1.562 1.00 0.00 C ATOM 160 CD1 LEU A 13 -1.723 1.819 1.150 1.00 0.00 C ATOM 161 CD2 LEU A 13 0.652 2.269 0.507 1.00 0.00 C ATOM 0 H LEU A 13 0.070 0.036 3.967 1.00 0.00 H new ATOM 0 HA LEU A 13 2.085 1.971 3.148 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.921 2.211 3.526 1.00 0.00 H new ATOM 0 HB3 LEU A 13 0.115 3.401 2.762 1.00 0.00 H new ATOM 0 HG LEU A 13 -0.043 0.608 1.650 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -1.877 1.343 0.181 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -2.362 1.343 1.894 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -1.975 2.877 1.079 1.00 0.00 H new ATOM 0 HD21 LEU A 13 0.465 1.788 -0.453 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.459 3.338 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 13 1.691 2.110 0.797 1.00 0.00 H new ATOM 173 N GLY A 14 0.488 2.137 6.022 1.00 0.00 N ATOM 174 CA GLY A 14 0.516 2.780 7.323 1.00 0.00 C ATOM 175 C GLY A 14 -0.606 3.784 7.498 1.00 0.00 C ATOM 176 O GLY A 14 -0.363 4.950 7.807 1.00 0.00 O ATOM 0 H GLY A 14 -0.174 1.366 5.939 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.445 2.021 8.102 1.00 0.00 H new ATOM 0 HA3 GLY A 14 1.474 3.283 7.456 1.00 0.00 H new ATOM 180 N VAL A 15 -1.840 3.330 7.299 1.00 0.00 N ATOM 181 CA VAL A 15 -3.004 4.198 7.436 1.00 0.00 C ATOM 182 C VAL A 15 -4.172 3.453 8.073 1.00 0.00 C ATOM 183 O VAL A 15 -4.108 2.242 8.285 1.00 0.00 O ATOM 184 CB VAL A 15 -3.449 4.759 6.073 1.00 0.00 C ATOM 185 CG1 VAL A 15 -2.331 5.572 5.439 1.00 0.00 C ATOM 186 CG2 VAL A 15 -3.888 3.632 5.151 1.00 0.00 C ATOM 0 H VAL A 15 -2.059 2.367 7.043 1.00 0.00 H new ATOM 0 HA VAL A 15 -2.709 5.025 8.082 1.00 0.00 H new ATOM 0 HB VAL A 15 -4.301 5.420 6.233 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -2.664 5.960 4.477 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.069 6.403 6.094 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -1.458 4.937 5.291 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.199 4.047 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.057 2.944 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -4.723 3.097 5.603 1.00 0.00 H new ATOM 196 N SER A 16 -5.239 4.185 8.375 1.00 0.00 N ATOM 197 CA SER A 16 -6.422 3.595 8.991 1.00 0.00 C ATOM 198 C SER A 16 -7.330 2.970 7.935 1.00 0.00 C ATOM 199 O SER A 16 -7.159 3.202 6.738 1.00 0.00 O ATOM 200 CB SER A 16 -7.194 4.653 9.781 1.00 0.00 C ATOM 201 OG SER A 16 -6.591 4.888 11.042 1.00 0.00 O ATOM 0 H SER A 16 -5.309 5.188 8.203 1.00 0.00 H new ATOM 0 HA SER A 16 -6.093 2.811 9.673 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.229 5.582 9.212 1.00 0.00 H new ATOM 0 HB3 SER A 16 -8.224 4.326 9.922 1.00 0.00 H new ATOM 0 HG SER A 16 -7.102 5.569 11.527 1.00 0.00 H new ATOM 207 N ARG A 17 -8.295 2.177 8.388 1.00 0.00 N ATOM 208 CA ARG A 17 -9.229 1.517 7.484 1.00 0.00 C ATOM 209 C ARG A 17 -10.308 2.489 7.013 1.00 0.00 C ATOM 210 O ARG A 17 -11.261 2.773 7.738 1.00 0.00 O ATOM 211 CB ARG A 17 -9.876 0.315 8.174 1.00 0.00 C ATOM 212 CG ARG A 17 -8.941 -0.872 8.334 1.00 0.00 C ATOM 213 CD ARG A 17 -8.121 -0.766 9.611 1.00 0.00 C ATOM 214 NE ARG A 17 -8.879 -1.188 10.785 1.00 0.00 N ATOM 215 CZ ARG A 17 -8.365 -1.250 12.008 1.00 0.00 C ATOM 216 NH1 ARG A 17 -7.098 -0.919 12.216 1.00 0.00 N ATOM 217 NH2 ARG A 17 -9.119 -1.644 13.027 1.00 0.00 N ATOM 0 H ARG A 17 -8.451 1.976 9.376 1.00 0.00 H new ATOM 0 HA ARG A 17 -8.671 1.171 6.614 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -10.233 0.620 9.158 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -10.749 0.004 7.600 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -9.521 -1.795 8.348 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -8.273 -0.929 7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -7.225 -1.380 9.518 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -7.790 0.264 9.744 1.00 0.00 H new ATOM 0 HE ARG A 17 -9.857 -1.450 10.659 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -6.515 -0.616 11.436 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -6.706 -0.968 13.156 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -10.094 -1.899 12.871 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -8.723 -1.691 13.966 1.00 0.00 H new ATOM 231 N GLY A 18 -10.149 2.995 5.794 1.00 0.00 N ATOM 232 CA GLY A 18 -11.116 3.929 5.248 1.00 0.00 C ATOM 233 C GLY A 18 -10.496 5.268 4.901 1.00 0.00 C ATOM 234 O GLY A 18 -11.203 6.260 4.724 1.00 0.00 O ATOM 0 H GLY A 18 -9.368 2.775 5.175 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -11.568 3.499 4.354 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -11.919 4.080 5.970 1.00 0.00 H new ATOM 238 N ALA A 19 -9.171 5.298 4.804 1.00 0.00 N ATOM 239 CA ALA A 19 -8.456 6.525 4.476 1.00 0.00 C ATOM 240 C ALA A 19 -8.746 6.963 3.044 1.00 0.00 C ATOM 241 O ALA A 19 -8.713 6.152 2.118 1.00 0.00 O ATOM 242 CB ALA A 19 -6.960 6.335 4.679 1.00 0.00 C ATOM 0 H ALA A 19 -8.571 4.486 4.948 1.00 0.00 H new ATOM 0 HA ALA A 19 -8.805 7.310 5.147 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -6.439 7.259 4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -6.764 6.077 5.720 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -6.604 5.533 4.033 1.00 0.00 H new ATOM 248 N SER A 20 -9.030 8.249 2.869 1.00 0.00 N ATOM 249 CA SER A 20 -9.331 8.793 1.550 1.00 0.00 C ATOM 250 C SER A 20 -8.111 8.711 0.638 1.00 0.00 C ATOM 251 O SER A 20 -6.980 8.577 1.106 1.00 0.00 O ATOM 252 CB SER A 20 -9.796 10.246 1.668 1.00 0.00 C ATOM 253 OG SER A 20 -10.171 10.766 0.404 1.00 0.00 O ATOM 0 H SER A 20 -9.058 8.934 3.624 1.00 0.00 H new ATOM 0 HA SER A 20 -10.132 8.197 1.112 1.00 0.00 H new ATOM 0 HB2 SER A 20 -10.641 10.306 2.355 1.00 0.00 H new ATOM 0 HB3 SER A 20 -8.997 10.854 2.092 1.00 0.00 H new ATOM 0 HG SER A 20 -10.466 11.695 0.507 1.00 0.00 H new ATOM 259 N ASP A 21 -8.349 8.792 -0.666 1.00 0.00 N ATOM 260 CA ASP A 21 -7.270 8.728 -1.646 1.00 0.00 C ATOM 261 C ASP A 21 -6.052 9.510 -1.165 1.00 0.00 C ATOM 262 O ASP A 21 -4.976 8.944 -0.973 1.00 0.00 O ATOM 263 CB ASP A 21 -7.743 9.275 -2.994 1.00 0.00 C ATOM 264 CG ASP A 21 -9.168 8.868 -3.316 1.00 0.00 C ATOM 265 OD1 ASP A 21 -9.405 7.662 -3.534 1.00 0.00 O ATOM 266 OD2 ASP A 21 -10.045 9.756 -3.350 1.00 0.00 O ATOM 0 H ASP A 21 -9.279 8.902 -1.070 1.00 0.00 H new ATOM 0 HA ASP A 21 -6.984 7.683 -1.767 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -7.672 10.363 -2.987 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -7.079 8.917 -3.781 1.00 0.00 H new ATOM 271 N GLU A 22 -6.230 10.813 -0.973 1.00 0.00 N ATOM 272 CA GLU A 22 -5.144 11.672 -0.516 1.00 0.00 C ATOM 273 C GLU A 22 -4.331 10.987 0.578 1.00 0.00 C ATOM 274 O GLU A 22 -3.127 10.776 0.433 1.00 0.00 O ATOM 275 CB GLU A 22 -5.698 13.001 0.002 1.00 0.00 C ATOM 276 CG GLU A 22 -4.741 14.169 -0.171 1.00 0.00 C ATOM 277 CD GLU A 22 -4.816 14.785 -1.554 1.00 0.00 C ATOM 278 OE1 GLU A 22 -5.891 15.310 -1.913 1.00 0.00 O ATOM 279 OE2 GLU A 22 -3.799 14.743 -2.278 1.00 0.00 O ATOM 0 H GLU A 22 -7.115 11.297 -1.127 1.00 0.00 H new ATOM 0 HA GLU A 22 -4.488 11.866 -1.365 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -6.629 13.225 -0.519 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -5.942 12.896 1.059 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -4.966 14.931 0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.722 13.830 0.017 1.00 0.00 H new ATOM 286 N ASP A 23 -4.998 10.642 1.674 1.00 0.00 N ATOM 287 CA ASP A 23 -4.340 9.980 2.794 1.00 0.00 C ATOM 288 C ASP A 23 -3.452 8.840 2.305 1.00 0.00 C ATOM 289 O ASP A 23 -2.275 8.759 2.660 1.00 0.00 O ATOM 290 CB ASP A 23 -5.378 9.446 3.782 1.00 0.00 C ATOM 291 CG ASP A 23 -6.070 10.555 4.550 1.00 0.00 C ATOM 292 OD1 ASP A 23 -6.640 11.458 3.903 1.00 0.00 O ATOM 293 OD2 ASP A 23 -6.040 10.521 5.798 1.00 0.00 O ATOM 0 H ASP A 23 -5.995 10.810 1.811 1.00 0.00 H new ATOM 0 HA ASP A 23 -3.713 10.714 3.300 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -6.123 8.862 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -4.892 8.770 4.485 1.00 0.00 H new ATOM 298 N LEU A 24 -4.023 7.960 1.490 1.00 0.00 N ATOM 299 CA LEU A 24 -3.283 6.823 0.953 1.00 0.00 C ATOM 300 C LEU A 24 -2.084 7.290 0.135 1.00 0.00 C ATOM 301 O LEU A 24 -1.026 6.661 0.149 1.00 0.00 O ATOM 302 CB LEU A 24 -4.200 5.957 0.087 1.00 0.00 C ATOM 303 CG LEU A 24 -5.417 5.356 0.790 1.00 0.00 C ATOM 304 CD1 LEU A 24 -6.548 5.127 -0.201 1.00 0.00 C ATOM 305 CD2 LEU A 24 -5.044 4.055 1.485 1.00 0.00 C ATOM 0 H LEU A 24 -4.995 8.012 1.187 1.00 0.00 H new ATOM 0 HA LEU A 24 -2.918 6.230 1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -4.551 6.560 -0.751 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -3.608 5.143 -0.331 1.00 0.00 H new ATOM 0 HG LEU A 24 -5.761 6.063 1.545 1.00 0.00 H new ATOM 0 HD11 LEU A 24 -7.405 4.699 0.318 1.00 0.00 H new ATOM 0 HD12 LEU A 24 -6.834 6.077 -0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 24 -6.216 4.441 -0.980 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -5.923 3.642 1.980 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -4.674 3.342 0.748 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -4.268 4.248 2.225 1.00 0.00 H new ATOM 317 N LYS A 25 -2.256 8.400 -0.576 1.00 0.00 N ATOM 318 CA LYS A 25 -1.187 8.955 -1.398 1.00 0.00 C ATOM 319 C LYS A 25 -0.002 9.379 -0.537 1.00 0.00 C ATOM 320 O LYS A 25 1.087 8.813 -0.639 1.00 0.00 O ATOM 321 CB LYS A 25 -1.703 10.153 -2.200 1.00 0.00 C ATOM 322 CG LYS A 25 -0.939 10.395 -3.490 1.00 0.00 C ATOM 323 CD LYS A 25 -1.399 11.669 -4.179 1.00 0.00 C ATOM 324 CE LYS A 25 -2.609 11.418 -5.065 1.00 0.00 C ATOM 325 NZ LYS A 25 -2.273 10.556 -6.232 1.00 0.00 N ATOM 0 H LYS A 25 -3.126 8.933 -0.599 1.00 0.00 H new ATOM 0 HA LYS A 25 -0.853 8.180 -2.087 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -2.756 9.996 -2.435 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -1.645 11.047 -1.580 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.128 10.461 -3.275 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -1.077 9.547 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.646 12.421 -3.429 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -0.584 12.073 -4.780 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -3.396 10.945 -4.479 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -3.004 12.370 -5.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -2.964 10.716 -6.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -1.320 10.792 -6.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -2.300 9.557 -5.945 1.00 0.00 H new ATOM 339 N LYS A 26 -0.221 10.376 0.313 1.00 0.00 N ATOM 340 CA LYS A 26 0.828 10.874 1.195 1.00 0.00 C ATOM 341 C LYS A 26 1.572 9.721 1.861 1.00 0.00 C ATOM 342 O LYS A 26 2.796 9.630 1.778 1.00 0.00 O ATOM 343 CB LYS A 26 0.231 11.794 2.263 1.00 0.00 C ATOM 344 CG LYS A 26 -0.513 12.988 1.690 1.00 0.00 C ATOM 345 CD LYS A 26 -1.015 13.911 2.787 1.00 0.00 C ATOM 346 CE LYS A 26 -2.285 14.636 2.368 1.00 0.00 C ATOM 347 NZ LYS A 26 -3.499 13.804 2.596 1.00 0.00 N ATOM 0 H LYS A 26 -1.116 10.856 0.410 1.00 0.00 H new ATOM 0 HA LYS A 26 1.537 11.440 0.591 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -0.451 11.217 2.888 1.00 0.00 H new ATOM 0 HB3 LYS A 26 1.031 12.152 2.911 1.00 0.00 H new ATOM 0 HG2 LYS A 26 0.146 13.541 1.021 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.355 12.640 1.092 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -1.206 13.333 3.691 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -0.243 14.640 3.032 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -2.373 15.568 2.927 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -2.220 14.902 1.313 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -4.349 14.391 2.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -3.518 13.023 1.910 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -3.478 13.417 3.561 1.00 0.00 H new ATOM 361 N ALA A 27 0.824 8.842 2.521 1.00 0.00 N ATOM 362 CA ALA A 27 1.412 7.693 3.197 1.00 0.00 C ATOM 363 C ALA A 27 2.190 6.820 2.220 1.00 0.00 C ATOM 364 O ALA A 27 3.300 6.377 2.515 1.00 0.00 O ATOM 365 CB ALA A 27 0.331 6.879 3.891 1.00 0.00 C ATOM 0 H ALA A 27 -0.191 8.904 2.601 1.00 0.00 H new ATOM 0 HA ALA A 27 2.111 8.063 3.948 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.785 6.024 4.392 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -0.178 7.502 4.626 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.390 6.527 3.153 1.00 0.00 H new ATOM 371 N TYR A 28 1.601 6.575 1.055 1.00 0.00 N ATOM 372 CA TYR A 28 2.238 5.750 0.034 1.00 0.00 C ATOM 373 C TYR A 28 3.607 6.309 -0.341 1.00 0.00 C ATOM 374 O TYR A 28 4.622 5.623 -0.227 1.00 0.00 O ATOM 375 CB TYR A 28 1.351 5.665 -1.209 1.00 0.00 C ATOM 376 CG TYR A 28 2.022 4.996 -2.387 1.00 0.00 C ATOM 377 CD1 TYR A 28 2.902 3.937 -2.201 1.00 0.00 C ATOM 378 CD2 TYR A 28 1.776 5.422 -3.686 1.00 0.00 C ATOM 379 CE1 TYR A 28 3.518 3.323 -3.274 1.00 0.00 C ATOM 380 CE2 TYR A 28 2.386 4.813 -4.766 1.00 0.00 C ATOM 381 CZ TYR A 28 3.257 3.765 -4.555 1.00 0.00 C ATOM 382 OH TYR A 28 3.867 3.155 -5.627 1.00 0.00 O ATOM 0 H TYR A 28 0.683 6.936 0.794 1.00 0.00 H new ATOM 0 HA TYR A 28 2.374 4.749 0.444 1.00 0.00 H new ATOM 0 HB2 TYR A 28 0.442 5.117 -0.960 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.047 6.671 -1.498 1.00 0.00 H new ATOM 0 HD1 TYR A 28 3.108 3.588 -1.200 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.096 6.244 -3.855 1.00 0.00 H new ATOM 0 HE1 TYR A 28 4.200 2.502 -3.111 1.00 0.00 H new ATOM 0 HE2 TYR A 28 2.182 5.156 -5.770 1.00 0.00 H new ATOM 0 HH TYR A 28 3.575 3.585 -6.458 1.00 0.00 H new ATOM 392 N ARG A 29 3.625 7.560 -0.789 1.00 0.00 N ATOM 393 CA ARG A 29 4.868 8.213 -1.182 1.00 0.00 C ATOM 394 C ARG A 29 5.870 8.213 -0.031 1.00 0.00 C ATOM 395 O ARG A 29 6.979 7.695 -0.160 1.00 0.00 O ATOM 396 CB ARG A 29 4.595 9.648 -1.635 1.00 0.00 C ATOM 397 CG ARG A 29 3.696 9.740 -2.857 1.00 0.00 C ATOM 398 CD ARG A 29 3.829 11.090 -3.546 1.00 0.00 C ATOM 399 NE ARG A 29 4.883 11.088 -4.556 1.00 0.00 N ATOM 400 CZ ARG A 29 4.788 10.448 -5.716 1.00 0.00 C ATOM 401 NH1 ARG A 29 3.692 9.762 -6.011 1.00 0.00 N ATOM 402 NH2 ARG A 29 5.790 10.493 -6.584 1.00 0.00 N ATOM 0 H ARG A 29 2.793 8.142 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 29 5.296 7.653 -2.013 1.00 0.00 H new ATOM 0 HB2 ARG A 29 4.135 10.198 -0.814 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.544 10.137 -1.855 1.00 0.00 H new ATOM 0 HG2 ARG A 29 3.951 8.946 -3.558 1.00 0.00 H new ATOM 0 HG3 ARG A 29 2.659 9.582 -2.560 1.00 0.00 H new ATOM 0 HD2 ARG A 29 2.880 11.353 -4.013 1.00 0.00 H new ATOM 0 HD3 ARG A 29 4.042 11.857 -2.802 1.00 0.00 H new ATOM 0 HE ARG A 29 5.739 11.606 -4.360 1.00 0.00 H new ATOM 0 HH11 ARG A 29 2.919 9.725 -5.346 1.00 0.00 H new ATOM 0 HH12 ARG A 29 3.622 9.272 -6.903 1.00 0.00 H new ATOM 0 HH21 ARG A 29 6.635 11.019 -6.361 1.00 0.00 H new ATOM 0 HH22 ARG A 29 5.716 10.001 -7.474 1.00 0.00 H new ATOM 416 N ARG A 30 5.470 8.799 1.093 1.00 0.00 N ATOM 417 CA ARG A 30 6.333 8.868 2.267 1.00 0.00 C ATOM 418 C ARG A 30 7.197 7.615 2.382 1.00 0.00 C ATOM 419 O ARG A 30 8.332 7.672 2.857 1.00 0.00 O ATOM 420 CB ARG A 30 5.494 9.040 3.534 1.00 0.00 C ATOM 421 CG ARG A 30 6.293 8.892 4.818 1.00 0.00 C ATOM 422 CD ARG A 30 5.390 8.592 6.005 1.00 0.00 C ATOM 423 NE ARG A 30 4.854 9.810 6.606 1.00 0.00 N ATOM 424 CZ ARG A 30 4.103 9.820 7.702 1.00 0.00 C ATOM 425 NH1 ARG A 30 3.801 8.682 8.313 1.00 0.00 N ATOM 426 NH2 ARG A 30 3.653 10.969 8.190 1.00 0.00 N ATOM 0 H ARG A 30 4.555 9.232 1.216 1.00 0.00 H new ATOM 0 HA ARG A 30 6.989 9.731 2.154 1.00 0.00 H new ATOM 0 HB2 ARG A 30 5.026 10.024 3.519 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.690 8.304 3.530 1.00 0.00 H new ATOM 0 HG2 ARG A 30 7.023 8.091 4.703 1.00 0.00 H new ATOM 0 HG3 ARG A 30 6.852 9.808 5.007 1.00 0.00 H new ATOM 0 HD2 ARG A 30 4.567 7.954 5.682 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.950 8.034 6.755 1.00 0.00 H new ATOM 0 HE ARG A 30 5.068 10.702 6.160 1.00 0.00 H new ATOM 0 HH11 ARG A 30 4.146 7.797 7.942 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.224 8.692 9.154 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.884 11.846 7.724 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.077 10.975 9.031 1.00 0.00 H new ATOM 440 N LEU A 31 6.651 6.485 1.945 1.00 0.00 N ATOM 441 CA LEU A 31 7.371 5.218 1.999 1.00 0.00 C ATOM 442 C LEU A 31 8.283 5.057 0.787 1.00 0.00 C ATOM 443 O LEU A 31 9.501 4.950 0.924 1.00 0.00 O ATOM 444 CB LEU A 31 6.384 4.051 2.066 1.00 0.00 C ATOM 445 CG LEU A 31 5.376 4.090 3.216 1.00 0.00 C ATOM 446 CD1 LEU A 31 4.282 3.056 3.001 1.00 0.00 C ATOM 447 CD2 LEU A 31 6.076 3.861 4.547 1.00 0.00 C ATOM 0 H LEU A 31 5.713 6.421 1.550 1.00 0.00 H new ATOM 0 HA LEU A 31 7.988 5.217 2.898 1.00 0.00 H new ATOM 0 HB2 LEU A 31 5.832 4.013 1.127 1.00 0.00 H new ATOM 0 HB3 LEU A 31 6.953 3.124 2.139 1.00 0.00 H new ATOM 0 HG LEU A 31 4.915 5.077 3.237 1.00 0.00 H new ATOM 0 HD11 LEU A 31 3.574 3.098 3.829 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.761 3.266 2.067 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.726 2.062 2.953 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.343 3.892 5.353 1.00 0.00 H new ATOM 0 HD22 LEU A 31 6.565 2.887 4.538 1.00 0.00 H new ATOM 0 HD23 LEU A 31 6.822 4.640 4.704 1.00 0.00 H new ATOM 459 N ALA A 32 7.685 5.044 -0.400 1.00 0.00 N ATOM 460 CA ALA A 32 8.444 4.902 -1.636 1.00 0.00 C ATOM 461 C ALA A 32 9.727 5.724 -1.591 1.00 0.00 C ATOM 462 O ALA A 32 10.809 5.223 -1.898 1.00 0.00 O ATOM 463 CB ALA A 32 7.593 5.313 -2.829 1.00 0.00 C ATOM 0 H ALA A 32 6.677 5.130 -0.531 1.00 0.00 H new ATOM 0 HA ALA A 32 8.720 3.853 -1.744 1.00 0.00 H new ATOM 0 HB1 ALA A 32 8.173 5.202 -3.745 1.00 0.00 H new ATOM 0 HB2 ALA A 32 6.708 4.679 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 32 7.288 6.353 -2.717 1.00 0.00 H new ATOM 469 N LEU A 33 9.600 6.990 -1.207 1.00 0.00 N ATOM 470 CA LEU A 33 10.750 7.883 -1.122 1.00 0.00 C ATOM 471 C LEU A 33 11.835 7.290 -0.229 1.00 0.00 C ATOM 472 O LEU A 33 13.027 7.467 -0.481 1.00 0.00 O ATOM 473 CB LEU A 33 10.321 9.249 -0.584 1.00 0.00 C ATOM 474 CG LEU A 33 9.609 10.168 -1.578 1.00 0.00 C ATOM 475 CD1 LEU A 33 10.618 10.871 -2.473 1.00 0.00 C ATOM 476 CD2 LEU A 33 8.611 9.380 -2.413 1.00 0.00 C ATOM 0 H LEU A 33 8.712 7.421 -0.950 1.00 0.00 H new ATOM 0 HA LEU A 33 11.158 8.006 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 33 9.662 9.090 0.270 1.00 0.00 H new ATOM 0 HB3 LEU A 33 11.206 9.765 -0.212 1.00 0.00 H new ATOM 0 HG LEU A 33 9.063 10.926 -1.016 1.00 0.00 H new ATOM 0 HD11 LEU A 33 10.093 11.520 -3.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 11.293 11.469 -1.861 1.00 0.00 H new ATOM 0 HD13 LEU A 33 11.192 10.129 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 33 8.114 10.050 -3.114 1.00 0.00 H new ATOM 0 HD22 LEU A 33 9.135 8.600 -2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 33 7.868 8.925 -1.758 1.00 0.00 H new ATOM 488 N LYS A 34 11.414 6.584 0.814 1.00 0.00 N ATOM 489 CA LYS A 34 12.349 5.961 1.744 1.00 0.00 C ATOM 490 C LYS A 34 12.866 4.637 1.190 1.00 0.00 C ATOM 491 O LYS A 34 13.979 4.214 1.504 1.00 0.00 O ATOM 492 CB LYS A 34 11.676 5.731 3.099 1.00 0.00 C ATOM 493 CG LYS A 34 12.516 4.913 4.064 1.00 0.00 C ATOM 494 CD LYS A 34 11.651 4.201 5.091 1.00 0.00 C ATOM 495 CE LYS A 34 12.471 3.739 6.286 1.00 0.00 C ATOM 496 NZ LYS A 34 12.706 4.842 7.258 1.00 0.00 N ATOM 0 H LYS A 34 10.431 6.429 1.037 1.00 0.00 H new ATOM 0 HA LYS A 34 13.195 6.635 1.876 1.00 0.00 H new ATOM 0 HB2 LYS A 34 11.453 6.697 3.553 1.00 0.00 H new ATOM 0 HB3 LYS A 34 10.723 5.225 2.941 1.00 0.00 H new ATOM 0 HG2 LYS A 34 13.100 4.180 3.508 1.00 0.00 H new ATOM 0 HG3 LYS A 34 13.225 5.565 4.574 1.00 0.00 H new ATOM 0 HD2 LYS A 34 10.860 4.870 5.428 1.00 0.00 H new ATOM 0 HD3 LYS A 34 11.166 3.342 4.627 1.00 0.00 H new ATOM 0 HE2 LYS A 34 11.955 2.919 6.785 1.00 0.00 H new ATOM 0 HE3 LYS A 34 13.429 3.349 5.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 13.268 4.486 8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 13.221 5.614 6.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 11.793 5.197 7.608 1.00 0.00 H new ATOM 510 N PHE A 35 12.052 3.988 0.364 1.00 0.00 N ATOM 511 CA PHE A 35 12.428 2.712 -0.234 1.00 0.00 C ATOM 512 C PHE A 35 12.564 2.840 -1.748 1.00 0.00 C ATOM 513 O PHE A 35 12.326 1.884 -2.487 1.00 0.00 O ATOM 514 CB PHE A 35 11.391 1.640 0.108 1.00 0.00 C ATOM 515 CG PHE A 35 11.221 1.418 1.583 1.00 0.00 C ATOM 516 CD1 PHE A 35 12.234 0.838 2.331 1.00 0.00 C ATOM 517 CD2 PHE A 35 10.049 1.788 2.223 1.00 0.00 C ATOM 518 CE1 PHE A 35 12.081 0.632 3.689 1.00 0.00 C ATOM 519 CE2 PHE A 35 9.891 1.586 3.581 1.00 0.00 C ATOM 520 CZ PHE A 35 10.908 1.006 4.315 1.00 0.00 C ATOM 0 H PHE A 35 11.128 4.325 0.093 1.00 0.00 H new ATOM 0 HA PHE A 35 13.394 2.417 0.176 1.00 0.00 H new ATOM 0 HB2 PHE A 35 10.431 1.925 -0.321 1.00 0.00 H new ATOM 0 HB3 PHE A 35 11.683 0.701 -0.361 1.00 0.00 H new ATOM 0 HD1 PHE A 35 13.153 0.544 1.847 1.00 0.00 H new ATOM 0 HD2 PHE A 35 9.250 2.239 1.654 1.00 0.00 H new ATOM 0 HE1 PHE A 35 12.878 0.179 4.260 1.00 0.00 H new ATOM 0 HE2 PHE A 35 8.973 1.881 4.068 1.00 0.00 H new ATOM 0 HZ PHE A 35 10.786 0.845 5.376 1.00 0.00 H new ATOM 530 N HIS A 36 12.948 4.028 -2.203 1.00 0.00 N ATOM 531 CA HIS A 36 13.116 4.283 -3.629 1.00 0.00 C ATOM 532 C HIS A 36 14.420 3.677 -4.139 1.00 0.00 C ATOM 533 O HIS A 36 15.454 3.715 -3.471 1.00 0.00 O ATOM 534 CB HIS A 36 13.097 5.786 -3.906 1.00 0.00 C ATOM 535 CG HIS A 36 12.564 6.139 -5.261 1.00 0.00 C ATOM 536 ND1 HIS A 36 13.374 6.494 -6.319 1.00 0.00 N ATOM 537 CD2 HIS A 36 11.294 6.188 -5.728 1.00 0.00 C ATOM 538 CE1 HIS A 36 12.625 6.748 -7.378 1.00 0.00 C ATOM 539 NE2 HIS A 36 11.359 6.569 -7.046 1.00 0.00 N ATOM 0 H HIS A 36 13.149 4.829 -1.605 1.00 0.00 H new ATOM 0 HA HIS A 36 12.286 3.813 -4.157 1.00 0.00 H new ATOM 0 HB2 HIS A 36 12.491 6.279 -3.146 1.00 0.00 H new ATOM 0 HB3 HIS A 36 14.110 6.178 -3.810 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.397 5.968 -5.168 1.00 0.00 H new ATOM 0 HE1 HIS A 36 12.987 7.050 -8.350 1.00 0.00 H new ATOM 0 HE2 HIS A 36 10.560 6.693 -7.667 1.00 0.00 H new ATOM 547 N PRO A 37 14.373 3.103 -5.351 1.00 0.00 N ATOM 548 CA PRO A 37 15.542 2.478 -5.977 1.00 0.00 C ATOM 549 C PRO A 37 16.593 3.501 -6.394 1.00 0.00 C ATOM 550 O PRO A 37 17.771 3.365 -6.063 1.00 0.00 O ATOM 551 CB PRO A 37 14.955 1.781 -7.207 1.00 0.00 C ATOM 552 CG PRO A 37 13.718 2.549 -7.524 1.00 0.00 C ATOM 553 CD PRO A 37 13.175 3.021 -6.203 1.00 0.00 C ATOM 0 HA PRO A 37 16.059 1.804 -5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 37 15.655 1.796 -8.042 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.729 0.735 -6.999 1.00 0.00 H new ATOM 0 HG2 PRO A 37 13.939 3.392 -8.179 1.00 0.00 H new ATOM 0 HG3 PRO A 37 12.992 1.923 -8.043 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.680 3.988 -6.294 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.441 2.324 -5.798 1.00 0.00 H new ATOM 561 N ASP A 38 16.159 4.524 -7.122 1.00 0.00 N ATOM 562 CA ASP A 38 17.063 5.571 -7.583 1.00 0.00 C ATOM 563 C ASP A 38 17.563 6.412 -6.412 1.00 0.00 C ATOM 564 O ASP A 38 18.702 6.879 -6.411 1.00 0.00 O ATOM 565 CB ASP A 38 16.361 6.466 -8.606 1.00 0.00 C ATOM 566 CG ASP A 38 17.334 7.331 -9.382 1.00 0.00 C ATOM 567 OD1 ASP A 38 18.142 6.772 -10.154 1.00 0.00 O ATOM 568 OD2 ASP A 38 17.288 8.568 -9.219 1.00 0.00 O ATOM 0 H ASP A 38 15.187 4.650 -7.405 1.00 0.00 H new ATOM 0 HA ASP A 38 17.921 5.094 -8.057 1.00 0.00 H new ATOM 0 HB2 ASP A 38 15.797 5.845 -9.302 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.641 7.104 -8.093 1.00 0.00 H new ATOM 573 N LYS A 39 16.704 6.602 -5.417 1.00 0.00 N ATOM 574 CA LYS A 39 17.057 7.386 -4.240 1.00 0.00 C ATOM 575 C LYS A 39 17.948 6.582 -3.298 1.00 0.00 C ATOM 576 O LYS A 39 19.128 6.887 -3.134 1.00 0.00 O ATOM 577 CB LYS A 39 15.793 7.836 -3.503 1.00 0.00 C ATOM 578 CG LYS A 39 15.946 9.168 -2.790 1.00 0.00 C ATOM 579 CD LYS A 39 15.065 9.244 -1.554 1.00 0.00 C ATOM 580 CE LYS A 39 13.675 9.760 -1.892 1.00 0.00 C ATOM 581 NZ LYS A 39 13.687 11.213 -2.219 1.00 0.00 N ATOM 0 H LYS A 39 15.757 6.223 -5.402 1.00 0.00 H new ATOM 0 HA LYS A 39 17.609 8.265 -4.572 1.00 0.00 H new ATOM 0 HB2 LYS A 39 14.973 7.908 -4.217 1.00 0.00 H new ATOM 0 HB3 LYS A 39 15.516 7.073 -2.775 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.988 9.311 -2.504 1.00 0.00 H new ATOM 0 HG3 LYS A 39 15.688 9.978 -3.472 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.987 8.256 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 39 15.528 9.899 -0.816 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.276 9.201 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.007 9.583 -1.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.202 11.742 -1.466 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.670 11.543 -2.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.197 11.369 -3.123 1.00 0.00 H new ATOM 595 N ASN A 40 17.374 5.553 -2.682 1.00 0.00 N ATOM 596 CA ASN A 40 18.118 4.705 -1.758 1.00 0.00 C ATOM 597 C ASN A 40 19.180 3.896 -2.496 1.00 0.00 C ATOM 598 O ASN A 40 18.958 3.434 -3.615 1.00 0.00 O ATOM 599 CB ASN A 40 17.165 3.762 -1.020 1.00 0.00 C ATOM 600 CG ASN A 40 17.677 3.383 0.356 1.00 0.00 C ATOM 601 OD1 ASN A 40 16.800 2.822 1.180 1.00 0.00 O flip ATOM 602 ND2 ASN A 40 18.848 3.592 0.674 1.00 0.00 N flip ATOM 0 H ASN A 40 16.397 5.287 -2.806 1.00 0.00 H new ATOM 0 HA ASN A 40 18.616 5.349 -1.034 1.00 0.00 H new ATOM 0 HB2 ASN A 40 16.189 4.239 -0.923 1.00 0.00 H new ATOM 0 HB3 ASN A 40 17.021 2.859 -1.613 1.00 0.00 H new ATOM 0 HD21 ASN A 40 19.488 4.026 0.008 1.00 0.00 H new ATOM 0 HD22 ASN A 40 19.178 3.331 1.603 1.00 0.00 H new ATOM 650 N GLY A 44 17.683 -3.988 -0.043 1.00 0.00 N ATOM 651 CA GLY A 44 16.674 -4.323 0.945 1.00 0.00 C ATOM 652 C GLY A 44 15.561 -3.296 1.007 1.00 0.00 C ATOM 653 O GLY A 44 14.401 -3.641 1.233 1.00 0.00 O ATOM 0 HA2 GLY A 44 16.251 -5.300 0.711 1.00 0.00 H new ATOM 0 HA3 GLY A 44 17.143 -4.406 1.925 1.00 0.00 H new ATOM 657 N ALA A 45 15.913 -2.031 0.806 1.00 0.00 N ATOM 658 CA ALA A 45 14.934 -0.951 0.840 1.00 0.00 C ATOM 659 C ALA A 45 13.953 -1.063 -0.322 1.00 0.00 C ATOM 660 O ALA A 45 12.747 -1.214 -0.119 1.00 0.00 O ATOM 661 CB ALA A 45 15.636 0.399 0.812 1.00 0.00 C ATOM 0 H ALA A 45 16.869 -1.728 0.618 1.00 0.00 H new ATOM 0 HA ALA A 45 14.369 -1.035 1.768 1.00 0.00 H new ATOM 0 HB1 ALA A 45 14.893 1.196 0.838 1.00 0.00 H new ATOM 0 HB2 ALA A 45 16.292 0.486 1.678 1.00 0.00 H new ATOM 0 HB3 ALA A 45 16.227 0.483 -0.100 1.00 0.00 H new ATOM 667 N THR A 46 14.476 -0.988 -1.542 1.00 0.00 N ATOM 668 CA THR A 46 13.646 -1.079 -2.736 1.00 0.00 C ATOM 669 C THR A 46 12.767 -2.324 -2.702 1.00 0.00 C ATOM 670 O THR A 46 11.561 -2.250 -2.935 1.00 0.00 O ATOM 671 CB THR A 46 14.503 -1.105 -4.015 1.00 0.00 C ATOM 672 OG1 THR A 46 15.697 -0.337 -3.821 1.00 0.00 O ATOM 673 CG2 THR A 46 13.725 -0.551 -5.200 1.00 0.00 C ATOM 0 H THR A 46 15.471 -0.864 -1.729 1.00 0.00 H new ATOM 0 HA THR A 46 13.013 -0.191 -2.749 1.00 0.00 H new ATOM 0 HB THR A 46 14.768 -2.141 -4.227 1.00 0.00 H new ATOM 0 HG1 THR A 46 16.237 -0.360 -4.638 1.00 0.00 H new ATOM 0 HG21 THR A 46 14.351 -0.580 -6.092 1.00 0.00 H new ATOM 0 HG22 THR A 46 12.833 -1.155 -5.364 1.00 0.00 H new ATOM 0 HG23 THR A 46 13.433 0.479 -4.994 1.00 0.00 H new ATOM 681 N GLU A 47 13.380 -3.467 -2.409 1.00 0.00 N ATOM 682 CA GLU A 47 12.651 -4.728 -2.344 1.00 0.00 C ATOM 683 C GLU A 47 11.322 -4.552 -1.614 1.00 0.00 C ATOM 684 O GLU A 47 10.370 -5.296 -1.849 1.00 0.00 O ATOM 685 CB GLU A 47 13.494 -5.794 -1.641 1.00 0.00 C ATOM 686 CG GLU A 47 14.735 -6.200 -2.420 1.00 0.00 C ATOM 687 CD GLU A 47 15.440 -7.396 -1.811 1.00 0.00 C ATOM 688 OE1 GLU A 47 14.759 -8.220 -1.165 1.00 0.00 O ATOM 689 OE2 GLU A 47 16.672 -7.509 -1.980 1.00 0.00 O ATOM 0 H GLU A 47 14.378 -3.545 -2.213 1.00 0.00 H new ATOM 0 HA GLU A 47 12.445 -5.052 -3.364 1.00 0.00 H new ATOM 0 HB2 GLU A 47 13.796 -5.420 -0.663 1.00 0.00 H new ATOM 0 HB3 GLU A 47 12.878 -6.677 -1.469 1.00 0.00 H new ATOM 0 HG2 GLU A 47 14.455 -6.432 -3.447 1.00 0.00 H new ATOM 0 HG3 GLU A 47 15.426 -5.358 -2.461 1.00 0.00 H new ATOM 696 N ALA A 48 11.267 -3.564 -0.728 1.00 0.00 N ATOM 697 CA ALA A 48 10.056 -3.289 0.035 1.00 0.00 C ATOM 698 C ALA A 48 9.115 -2.373 -0.740 1.00 0.00 C ATOM 699 O ALA A 48 7.897 -2.548 -0.709 1.00 0.00 O ATOM 700 CB ALA A 48 10.409 -2.670 1.379 1.00 0.00 C ATOM 0 H ALA A 48 12.047 -2.940 -0.521 1.00 0.00 H new ATOM 0 HA ALA A 48 9.541 -4.234 0.206 1.00 0.00 H new ATOM 0 HB1 ALA A 48 9.495 -2.470 1.939 1.00 0.00 H new ATOM 0 HB2 ALA A 48 11.036 -3.360 1.944 1.00 0.00 H new ATOM 0 HB3 ALA A 48 10.949 -1.736 1.219 1.00 0.00 H new ATOM 706 N PHE A 49 9.687 -1.395 -1.435 1.00 0.00 N ATOM 707 CA PHE A 49 8.898 -0.451 -2.218 1.00 0.00 C ATOM 708 C PHE A 49 7.957 -1.185 -3.169 1.00 0.00 C ATOM 709 O PHE A 49 6.785 -0.831 -3.296 1.00 0.00 O ATOM 710 CB PHE A 49 9.818 0.480 -3.010 1.00 0.00 C ATOM 711 CG PHE A 49 9.118 1.210 -4.122 1.00 0.00 C ATOM 712 CD1 PHE A 49 8.145 2.156 -3.842 1.00 0.00 C ATOM 713 CD2 PHE A 49 9.434 0.950 -5.445 1.00 0.00 C ATOM 714 CE1 PHE A 49 7.500 2.829 -4.863 1.00 0.00 C ATOM 715 CE2 PHE A 49 8.793 1.620 -6.470 1.00 0.00 C ATOM 716 CZ PHE A 49 7.824 2.560 -6.178 1.00 0.00 C ATOM 0 H PHE A 49 10.694 -1.236 -1.472 1.00 0.00 H new ATOM 0 HA PHE A 49 8.298 0.142 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 49 10.259 1.208 -2.329 1.00 0.00 H new ATOM 0 HB3 PHE A 49 10.639 -0.103 -3.428 1.00 0.00 H new ATOM 0 HD1 PHE A 49 7.888 2.370 -2.815 1.00 0.00 H new ATOM 0 HD2 PHE A 49 10.190 0.215 -5.679 1.00 0.00 H new ATOM 0 HE1 PHE A 49 6.743 3.564 -4.632 1.00 0.00 H new ATOM 0 HE2 PHE A 49 9.049 1.409 -7.498 1.00 0.00 H new ATOM 0 HZ PHE A 49 7.320 3.084 -6.977 1.00 0.00 H new ATOM 726 N LYS A 50 8.479 -2.209 -3.835 1.00 0.00 N ATOM 727 CA LYS A 50 7.687 -2.995 -4.774 1.00 0.00 C ATOM 728 C LYS A 50 6.369 -3.431 -4.142 1.00 0.00 C ATOM 729 O LYS A 50 5.304 -3.283 -4.741 1.00 0.00 O ATOM 730 CB LYS A 50 8.475 -4.223 -5.234 1.00 0.00 C ATOM 731 CG LYS A 50 9.314 -3.977 -6.477 1.00 0.00 C ATOM 732 CD LYS A 50 10.416 -5.013 -6.619 1.00 0.00 C ATOM 733 CE LYS A 50 11.693 -4.569 -5.921 1.00 0.00 C ATOM 734 NZ LYS A 50 12.711 -5.654 -5.884 1.00 0.00 N ATOM 0 H LYS A 50 9.448 -2.514 -3.742 1.00 0.00 H new ATOM 0 HA LYS A 50 7.466 -2.368 -5.638 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.127 -4.550 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 50 7.779 -5.038 -5.431 1.00 0.00 H new ATOM 0 HG2 LYS A 50 8.675 -4.001 -7.359 1.00 0.00 H new ATOM 0 HG3 LYS A 50 9.754 -2.981 -6.429 1.00 0.00 H new ATOM 0 HD2 LYS A 50 10.081 -5.961 -6.199 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.619 -5.187 -7.676 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.106 -3.702 -6.436 1.00 0.00 H new ATOM 0 HE3 LYS A 50 11.460 -4.255 -4.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 13.566 -5.312 -5.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 12.327 -6.473 -5.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 12.952 -5.937 -6.855 1.00 0.00 H new ATOM 748 N ALA A 51 6.448 -3.968 -2.929 1.00 0.00 N ATOM 749 CA ALA A 51 5.261 -4.423 -2.216 1.00 0.00 C ATOM 750 C ALA A 51 4.282 -3.275 -1.994 1.00 0.00 C ATOM 751 O ALA A 51 3.074 -3.433 -2.177 1.00 0.00 O ATOM 752 CB ALA A 51 5.652 -5.050 -0.886 1.00 0.00 C ATOM 0 H ALA A 51 7.322 -4.099 -2.419 1.00 0.00 H new ATOM 0 HA ALA A 51 4.765 -5.176 -2.828 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.756 -5.385 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 51 6.308 -5.902 -1.064 1.00 0.00 H new ATOM 0 HB3 ALA A 51 6.173 -4.313 -0.275 1.00 0.00 H new ATOM 758 N ILE A 52 4.809 -2.122 -1.598 1.00 0.00 N ATOM 759 CA ILE A 52 3.980 -0.948 -1.351 1.00 0.00 C ATOM 760 C ILE A 52 3.058 -0.669 -2.533 1.00 0.00 C ATOM 761 O ILE A 52 1.836 -0.756 -2.414 1.00 0.00 O ATOM 762 CB ILE A 52 4.839 0.301 -1.079 1.00 0.00 C ATOM 763 CG1 ILE A 52 5.968 -0.034 -0.101 1.00 0.00 C ATOM 764 CG2 ILE A 52 3.976 1.429 -0.534 1.00 0.00 C ATOM 765 CD1 ILE A 52 6.663 1.187 0.459 1.00 0.00 C ATOM 0 H ILE A 52 5.806 -1.975 -1.441 1.00 0.00 H new ATOM 0 HA ILE A 52 3.380 -1.165 -0.467 1.00 0.00 H new ATOM 0 HB ILE A 52 5.283 0.631 -2.018 1.00 0.00 H new ATOM 0 HG12 ILE A 52 5.562 -0.621 0.723 1.00 0.00 H new ATOM 0 HG13 ILE A 52 6.703 -0.660 -0.607 1.00 0.00 H new ATOM 0 HG21 ILE A 52 4.597 2.305 -0.347 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.204 1.681 -1.261 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.507 1.111 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 52 7.451 0.875 1.144 1.00 0.00 H new ATOM 0 HD12 ILE A 52 7.099 1.764 -0.357 1.00 0.00 H new ATOM 0 HD13 ILE A 52 5.941 1.804 0.994 1.00 0.00 H new ATOM 777 N GLY A 53 3.651 -0.333 -3.674 1.00 0.00 N ATOM 778 CA GLY A 53 2.868 -0.047 -4.862 1.00 0.00 C ATOM 779 C GLY A 53 1.669 -0.964 -5.000 1.00 0.00 C ATOM 780 O GLY A 53 0.537 -0.501 -5.145 1.00 0.00 O ATOM 0 H GLY A 53 4.660 -0.254 -3.797 1.00 0.00 H new ATOM 0 HA2 GLY A 53 2.528 0.988 -4.829 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.501 -0.147 -5.744 1.00 0.00 H new ATOM 784 N THR A 54 1.915 -2.270 -4.956 1.00 0.00 N ATOM 785 CA THR A 54 0.848 -3.254 -5.080 1.00 0.00 C ATOM 786 C THR A 54 -0.326 -2.909 -4.169 1.00 0.00 C ATOM 787 O THR A 54 -1.484 -2.994 -4.575 1.00 0.00 O ATOM 788 CB THR A 54 1.347 -4.671 -4.740 1.00 0.00 C ATOM 789 OG1 THR A 54 2.559 -4.946 -5.453 1.00 0.00 O ATOM 790 CG2 THR A 54 0.297 -5.713 -5.093 1.00 0.00 C ATOM 0 H THR A 54 2.845 -2.670 -4.835 1.00 0.00 H new ATOM 0 HA THR A 54 0.518 -3.233 -6.119 1.00 0.00 H new ATOM 0 HB THR A 54 1.537 -4.719 -3.668 1.00 0.00 H new ATOM 0 HG1 THR A 54 2.872 -5.848 -5.231 1.00 0.00 H new ATOM 0 HG21 THR A 54 0.672 -6.706 -4.844 1.00 0.00 H new ATOM 0 HG22 THR A 54 -0.614 -5.517 -4.528 1.00 0.00 H new ATOM 0 HG23 THR A 54 0.080 -5.664 -6.160 1.00 0.00 H new ATOM 798 N ALA A 55 -0.018 -2.520 -2.936 1.00 0.00 N ATOM 799 CA ALA A 55 -1.047 -2.161 -1.969 1.00 0.00 C ATOM 800 C ALA A 55 -1.759 -0.876 -2.378 1.00 0.00 C ATOM 801 O ALA A 55 -2.976 -0.861 -2.565 1.00 0.00 O ATOM 802 CB ALA A 55 -0.439 -2.012 -0.582 1.00 0.00 C ATOM 0 H ALA A 55 0.936 -2.446 -2.584 1.00 0.00 H new ATOM 0 HA ALA A 55 -1.785 -2.963 -1.945 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -1.219 -1.744 0.130 1.00 0.00 H new ATOM 0 HB2 ALA A 55 0.018 -2.955 -0.282 1.00 0.00 H new ATOM 0 HB3 ALA A 55 0.321 -1.230 -0.600 1.00 0.00 H new ATOM 808 N TYR A 56 -0.994 0.201 -2.514 1.00 0.00 N ATOM 809 CA TYR A 56 -1.552 1.493 -2.897 1.00 0.00 C ATOM 810 C TYR A 56 -2.467 1.352 -4.111 1.00 0.00 C ATOM 811 O TYR A 56 -3.560 1.915 -4.146 1.00 0.00 O ATOM 812 CB TYR A 56 -0.431 2.487 -3.202 1.00 0.00 C ATOM 813 CG TYR A 56 -0.928 3.830 -3.689 1.00 0.00 C ATOM 814 CD1 TYR A 56 -1.523 4.731 -2.814 1.00 0.00 C ATOM 815 CD2 TYR A 56 -0.801 4.198 -5.023 1.00 0.00 C ATOM 816 CE1 TYR A 56 -1.979 5.958 -3.255 1.00 0.00 C ATOM 817 CE2 TYR A 56 -1.252 5.424 -5.471 1.00 0.00 C ATOM 818 CZ TYR A 56 -1.841 6.300 -4.584 1.00 0.00 C ATOM 819 OH TYR A 56 -2.293 7.522 -5.026 1.00 0.00 O ATOM 0 H TYR A 56 0.015 0.205 -2.365 1.00 0.00 H new ATOM 0 HA TYR A 56 -2.142 1.868 -2.061 1.00 0.00 H new ATOM 0 HB2 TYR A 56 0.167 2.635 -2.303 1.00 0.00 H new ATOM 0 HB3 TYR A 56 0.228 2.058 -3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -1.631 4.467 -1.772 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -0.342 3.514 -5.721 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -2.441 6.646 -2.563 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -1.144 5.695 -6.511 1.00 0.00 H new ATOM 0 HH TYR A 56 -2.681 8.018 -4.275 1.00 0.00 H new ATOM 829 N ALA A 57 -2.010 0.595 -5.103 1.00 0.00 N ATOM 830 CA ALA A 57 -2.786 0.377 -6.317 1.00 0.00 C ATOM 831 C ALA A 57 -4.165 -0.186 -5.993 1.00 0.00 C ATOM 832 O ALA A 57 -5.165 0.209 -6.594 1.00 0.00 O ATOM 833 CB ALA A 57 -2.040 -0.556 -7.260 1.00 0.00 C ATOM 0 H ALA A 57 -1.106 0.122 -5.090 1.00 0.00 H new ATOM 0 HA ALA A 57 -2.922 1.340 -6.810 1.00 0.00 H new ATOM 0 HB1 ALA A 57 -2.631 -0.710 -8.163 1.00 0.00 H new ATOM 0 HB2 ALA A 57 -1.080 -0.113 -7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 57 -1.873 -1.514 -6.768 1.00 0.00 H new ATOM 839 N VAL A 58 -4.213 -1.112 -5.040 1.00 0.00 N ATOM 840 CA VAL A 58 -5.470 -1.729 -4.636 1.00 0.00 C ATOM 841 C VAL A 58 -6.446 -0.688 -4.100 1.00 0.00 C ATOM 842 O VAL A 58 -7.452 -0.377 -4.739 1.00 0.00 O ATOM 843 CB VAL A 58 -5.245 -2.808 -3.561 1.00 0.00 C ATOM 844 CG1 VAL A 58 -6.571 -3.420 -3.133 1.00 0.00 C ATOM 845 CG2 VAL A 58 -4.295 -3.880 -4.072 1.00 0.00 C ATOM 0 H VAL A 58 -3.395 -1.451 -4.534 1.00 0.00 H new ATOM 0 HA VAL A 58 -5.894 -2.196 -5.525 1.00 0.00 H new ATOM 0 HB VAL A 58 -4.790 -2.338 -2.689 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -6.392 -4.180 -2.373 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -7.215 -2.642 -2.724 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -7.056 -3.876 -3.996 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -4.148 -4.634 -3.299 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.719 -4.349 -4.960 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -3.336 -3.427 -4.324 1.00 0.00 H new ATOM 855 N LEU A 59 -6.143 -0.152 -2.923 1.00 0.00 N ATOM 856 CA LEU A 59 -6.993 0.856 -2.299 1.00 0.00 C ATOM 857 C LEU A 59 -7.216 2.037 -3.238 1.00 0.00 C ATOM 858 O LEU A 59 -8.354 2.420 -3.511 1.00 0.00 O ATOM 859 CB LEU A 59 -6.367 1.341 -0.991 1.00 0.00 C ATOM 860 CG LEU A 59 -5.921 0.252 -0.015 1.00 0.00 C ATOM 861 CD1 LEU A 59 -5.201 0.864 1.176 1.00 0.00 C ATOM 862 CD2 LEU A 59 -7.114 -0.572 0.446 1.00 0.00 C ATOM 0 H LEU A 59 -5.315 -0.399 -2.381 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.959 0.399 -2.084 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -5.503 1.960 -1.233 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.087 1.983 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.226 -0.410 -0.532 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.891 0.073 1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.323 1.409 0.830 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.872 1.549 1.694 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -6.778 -1.342 1.140 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -7.834 0.077 0.945 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -7.587 -1.042 -0.416 1.00 0.00 H new ATOM 874 N SER A 60 -6.123 2.609 -3.732 1.00 0.00 N ATOM 875 CA SER A 60 -6.199 3.747 -4.640 1.00 0.00 C ATOM 876 C SER A 60 -7.235 3.502 -5.733 1.00 0.00 C ATOM 877 O SER A 60 -7.816 4.442 -6.274 1.00 0.00 O ATOM 878 CB SER A 60 -4.831 4.016 -5.270 1.00 0.00 C ATOM 879 OG SER A 60 -4.855 5.193 -6.059 1.00 0.00 O ATOM 0 H SER A 60 -5.174 2.303 -3.519 1.00 0.00 H new ATOM 0 HA SER A 60 -6.504 4.620 -4.063 1.00 0.00 H new ATOM 0 HB2 SER A 60 -4.080 4.115 -4.487 1.00 0.00 H new ATOM 0 HB3 SER A 60 -4.538 3.167 -5.887 1.00 0.00 H new ATOM 0 HG SER A 60 -4.073 5.745 -5.847 1.00 0.00 H new ATOM 885 N ASN A 61 -7.460 2.232 -6.052 1.00 0.00 N ATOM 886 CA ASN A 61 -8.425 1.862 -7.081 1.00 0.00 C ATOM 887 C ASN A 61 -9.789 1.566 -6.466 1.00 0.00 C ATOM 888 O ASN A 61 -9.897 1.062 -5.347 1.00 0.00 O ATOM 889 CB ASN A 61 -7.929 0.642 -7.860 1.00 0.00 C ATOM 890 CG ASN A 61 -6.798 0.984 -8.811 1.00 0.00 C ATOM 891 OD1 ASN A 61 -6.667 2.126 -9.252 1.00 0.00 O ATOM 892 ND2 ASN A 61 -5.975 -0.007 -9.131 1.00 0.00 N ATOM 0 H ASN A 61 -6.987 1.442 -5.613 1.00 0.00 H new ATOM 0 HA ASN A 61 -8.529 2.704 -7.765 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -7.592 -0.121 -7.159 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -8.757 0.213 -8.424 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -5.195 0.163 -9.767 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -6.122 -0.938 -8.741 1.00 0.00 H new ATOM 899 N PRO A 62 -10.857 1.885 -7.212 1.00 0.00 N ATOM 900 CA PRO A 62 -12.234 1.661 -6.761 1.00 0.00 C ATOM 901 C PRO A 62 -12.592 0.180 -6.706 1.00 0.00 C ATOM 902 O PRO A 62 -13.095 -0.309 -5.695 1.00 0.00 O ATOM 903 CB PRO A 62 -13.075 2.376 -7.821 1.00 0.00 C ATOM 904 CG PRO A 62 -12.221 2.382 -9.042 1.00 0.00 C ATOM 905 CD PRO A 62 -10.802 2.488 -8.554 1.00 0.00 C ATOM 0 HA PRO A 62 -12.397 2.030 -5.748 1.00 0.00 H new ATOM 0 HB2 PRO A 62 -14.015 1.854 -7.998 1.00 0.00 H new ATOM 0 HB3 PRO A 62 -13.327 3.390 -7.509 1.00 0.00 H new ATOM 0 HG2 PRO A 62 -12.366 1.472 -9.625 1.00 0.00 H new ATOM 0 HG3 PRO A 62 -12.474 3.220 -9.691 1.00 0.00 H new ATOM 0 HD2 PRO A 62 -10.112 1.954 -9.207 1.00 0.00 H new ATOM 0 HD3 PRO A 62 -10.467 3.524 -8.515 1.00 0.00 H new ATOM 913 N GLU A 63 -12.329 -0.529 -7.799 1.00 0.00 N ATOM 914 CA GLU A 63 -12.625 -1.955 -7.874 1.00 0.00 C ATOM 915 C GLU A 63 -11.755 -2.743 -6.899 1.00 0.00 C ATOM 916 O GLU A 63 -12.261 -3.419 -6.003 1.00 0.00 O ATOM 917 CB GLU A 63 -12.408 -2.469 -9.299 1.00 0.00 C ATOM 918 CG GLU A 63 -13.631 -2.327 -10.190 1.00 0.00 C ATOM 919 CD GLU A 63 -14.832 -3.084 -9.657 1.00 0.00 C ATOM 920 OE1 GLU A 63 -15.511 -2.558 -8.751 1.00 0.00 O ATOM 921 OE2 GLU A 63 -15.093 -4.203 -10.147 1.00 0.00 O ATOM 0 H GLU A 63 -11.912 -0.140 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 63 -13.670 -2.098 -7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -11.576 -1.927 -9.749 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -12.119 -3.519 -9.257 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -13.885 -1.271 -10.286 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -13.392 -2.690 -11.190 1.00 0.00 H new ATOM 928 N LYS A 64 -10.442 -2.652 -7.080 1.00 0.00 N ATOM 929 CA LYS A 64 -9.499 -3.354 -6.218 1.00 0.00 C ATOM 930 C LYS A 64 -9.789 -3.069 -4.748 1.00 0.00 C ATOM 931 O LYS A 64 -9.540 -3.908 -3.882 1.00 0.00 O ATOM 932 CB LYS A 64 -8.064 -2.943 -6.555 1.00 0.00 C ATOM 933 CG LYS A 64 -7.726 -3.066 -8.030 1.00 0.00 C ATOM 934 CD LYS A 64 -6.247 -3.344 -8.242 1.00 0.00 C ATOM 935 CE LYS A 64 -5.958 -4.837 -8.262 1.00 0.00 C ATOM 936 NZ LYS A 64 -6.389 -5.470 -9.539 1.00 0.00 N ATOM 0 H LYS A 64 -10.006 -2.098 -7.817 1.00 0.00 H new ATOM 0 HA LYS A 64 -9.614 -4.424 -6.392 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -7.907 -1.911 -6.240 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -7.374 -3.560 -5.980 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -8.315 -3.869 -8.473 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -8.002 -2.146 -8.545 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -5.923 -2.897 -9.182 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.669 -2.871 -7.448 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -4.890 -5.002 -8.118 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -6.470 -5.317 -7.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.997 -6.432 -9.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -7.427 -5.516 -9.570 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.043 -4.905 -10.341 1.00 0.00 H new ATOM 950 N ARG A 65 -10.319 -1.881 -4.474 1.00 0.00 N ATOM 951 CA ARG A 65 -10.643 -1.485 -3.109 1.00 0.00 C ATOM 952 C ARG A 65 -11.982 -2.076 -2.675 1.00 0.00 C ATOM 953 O ARG A 65 -12.129 -2.547 -1.547 1.00 0.00 O ATOM 954 CB ARG A 65 -10.684 0.039 -2.993 1.00 0.00 C ATOM 955 CG ARG A 65 -11.148 0.534 -1.633 1.00 0.00 C ATOM 956 CD ARG A 65 -10.925 2.031 -1.479 1.00 0.00 C ATOM 957 NE ARG A 65 -11.238 2.495 -0.129 1.00 0.00 N ATOM 958 CZ ARG A 65 -12.472 2.565 0.356 1.00 0.00 C ATOM 959 NH1 ARG A 65 -13.504 2.204 -0.394 1.00 0.00 N ATOM 960 NH2 ARG A 65 -12.676 2.998 1.593 1.00 0.00 N ATOM 0 H ARG A 65 -10.533 -1.176 -5.180 1.00 0.00 H new ATOM 0 HA ARG A 65 -9.865 -1.871 -2.451 1.00 0.00 H new ATOM 0 HB2 ARG A 65 -9.690 0.437 -3.195 1.00 0.00 H new ATOM 0 HB3 ARG A 65 -11.348 0.436 -3.761 1.00 0.00 H new ATOM 0 HG2 ARG A 65 -12.206 0.308 -1.504 1.00 0.00 H new ATOM 0 HG3 ARG A 65 -10.610 0.002 -0.848 1.00 0.00 H new ATOM 0 HD2 ARG A 65 -9.887 2.269 -1.713 1.00 0.00 H new ATOM 0 HD3 ARG A 65 -11.544 2.566 -2.199 1.00 0.00 H new ATOM 0 HE ARG A 65 -10.466 2.781 0.474 1.00 0.00 H new ATOM 0 HH11 ARG A 65 -13.351 1.871 -1.346 1.00 0.00 H new ATOM 0 HH12 ARG A 65 -14.451 2.259 -0.019 1.00 0.00 H new ATOM 0 HH21 ARG A 65 -11.885 3.278 2.173 1.00 0.00 H new ATOM 0 HH22 ARG A 65 -13.624 3.051 1.965 1.00 0.00 H new ATOM 974 N LYS A 66 -12.956 -2.046 -3.579 1.00 0.00 N ATOM 975 CA LYS A 66 -14.282 -2.578 -3.292 1.00 0.00 C ATOM 976 C LYS A 66 -14.188 -3.962 -2.658 1.00 0.00 C ATOM 977 O LYS A 66 -14.605 -4.162 -1.518 1.00 0.00 O ATOM 978 CB LYS A 66 -15.115 -2.648 -4.574 1.00 0.00 C ATOM 979 CG LYS A 66 -15.763 -1.327 -4.951 1.00 0.00 C ATOM 980 CD LYS A 66 -17.131 -1.174 -4.307 1.00 0.00 C ATOM 981 CE LYS A 66 -17.780 0.149 -4.685 1.00 0.00 C ATOM 982 NZ LYS A 66 -17.269 1.275 -3.856 1.00 0.00 N ATOM 0 H LYS A 66 -12.851 -1.659 -4.517 1.00 0.00 H new ATOM 0 HA LYS A 66 -14.770 -1.907 -2.585 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -14.477 -2.977 -5.394 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -15.892 -3.402 -4.452 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -15.120 -0.503 -4.641 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -15.861 -1.265 -6.035 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.774 -1.998 -4.617 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.033 -1.236 -3.223 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -17.591 0.358 -5.738 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -18.861 0.071 -4.565 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -17.736 2.158 -4.145 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -17.472 1.088 -2.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -16.242 1.367 -3.990 1.00 0.00 H new ATOM 996 N GLN A 67 -13.637 -4.914 -3.405 1.00 0.00 N ATOM 997 CA GLN A 67 -13.488 -6.279 -2.915 1.00 0.00 C ATOM 998 C GLN A 67 -12.772 -6.298 -1.568 1.00 0.00 C ATOM 999 O GLN A 67 -13.121 -7.076 -0.679 1.00 0.00 O ATOM 1000 CB GLN A 67 -12.717 -7.126 -3.928 1.00 0.00 C ATOM 1001 CG GLN A 67 -11.295 -6.645 -4.167 1.00 0.00 C ATOM 1002 CD GLN A 67 -10.740 -7.101 -5.502 1.00 0.00 C ATOM 1003 OE1 GLN A 67 -9.850 -7.949 -5.560 1.00 0.00 O ATOM 1004 NE2 GLN A 67 -11.266 -6.540 -6.584 1.00 0.00 N ATOM 0 H GLN A 67 -13.287 -4.765 -4.351 1.00 0.00 H new ATOM 0 HA GLN A 67 -14.484 -6.702 -2.783 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -12.689 -8.158 -3.579 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -13.256 -7.125 -4.875 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -11.272 -5.556 -4.121 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -10.652 -7.012 -3.367 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -12.003 -5.841 -6.489 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -10.934 -6.808 -7.510 1.00 0.00 H new ATOM 1013 N TYR A 68 -11.769 -5.440 -1.425 1.00 0.00 N ATOM 1014 CA TYR A 68 -11.001 -5.360 -0.188 1.00 0.00 C ATOM 1015 C TYR A 68 -11.907 -5.030 0.995 1.00 0.00 C ATOM 1016 O TYR A 68 -11.628 -5.415 2.130 1.00 0.00 O ATOM 1017 CB TYR A 68 -9.901 -4.305 -0.313 1.00 0.00 C ATOM 1018 CG TYR A 68 -8.908 -4.327 0.827 1.00 0.00 C ATOM 1019 CD1 TYR A 68 -9.229 -3.783 2.065 1.00 0.00 C ATOM 1020 CD2 TYR A 68 -7.650 -4.894 0.667 1.00 0.00 C ATOM 1021 CE1 TYR A 68 -8.325 -3.801 3.109 1.00 0.00 C ATOM 1022 CE2 TYR A 68 -6.739 -4.918 1.707 1.00 0.00 C ATOM 1023 CZ TYR A 68 -7.081 -4.369 2.925 1.00 0.00 C ATOM 1024 OH TYR A 68 -6.178 -4.390 3.963 1.00 0.00 O ATOM 0 H TYR A 68 -11.468 -4.789 -2.151 1.00 0.00 H new ATOM 0 HA TYR A 68 -10.543 -6.333 -0.011 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -9.368 -4.458 -1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -10.360 -3.318 -0.365 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -10.202 -3.339 2.213 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -7.379 -5.323 -0.286 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -8.590 -3.373 4.064 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -5.766 -5.364 1.566 1.00 0.00 H new ATOM 0 HH TYR A 68 -5.600 -5.177 3.878 1.00 0.00 H new