USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 278 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 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 163:sc= -1.44! USER MOD Single : A 12 GLN :FLIP amide:sc= -0.552 F(o=-1.4,f=-0.55) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 170:sc= -1.51! (180deg=-1.86!) USER MOD Single : A 23 SER OG : rot 26:sc= 0.0657 USER MOD Single : A 28 LYS NZ :NH3+ -133:sc= 0.226 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.785 X(o=-0.78,f=-0.31) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 1.928 -6.615 -3.021 1.00 0.00 N ATOM 43 CA TYR A 5 2.810 -5.512 -2.661 1.00 0.00 C ATOM 44 C TYR A 5 3.952 -5.982 -1.770 1.00 0.00 C ATOM 45 O TYR A 5 5.017 -5.367 -1.733 1.00 0.00 O ATOM 46 CB TYR A 5 2.024 -4.419 -1.946 1.00 0.00 C ATOM 47 CG TYR A 5 0.770 -4.000 -2.671 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.819 -3.034 -3.663 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.462 -4.562 -2.361 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.320 -2.636 -4.323 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.608 -4.169 -3.017 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.534 -3.203 -3.999 1.00 0.00 C ATOM 53 OH TYR A 5 -2.675 -2.806 -4.659 1.00 0.00 O ATOM 0 HA TYR A 5 3.234 -5.114 -3.583 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.757 -4.769 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.666 -3.548 -1.816 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.767 -2.586 -3.922 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.522 -5.319 -1.593 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.263 -1.881 -5.093 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.559 -4.615 -2.764 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.444 -3.304 -4.311 1.00 0.00 H new ATOM 63 N SER A 6 3.722 -7.077 -1.055 1.00 0.00 N ATOM 64 CA SER A 6 4.728 -7.632 -0.161 1.00 0.00 C ATOM 65 C SER A 6 6.061 -7.822 -0.885 1.00 0.00 C ATOM 66 O SER A 6 7.118 -7.862 -0.254 1.00 0.00 O ATOM 67 CB SER A 6 4.230 -8.959 0.411 1.00 0.00 C ATOM 68 OG SER A 6 5.076 -9.418 1.451 1.00 0.00 O ATOM 0 H SER A 6 2.845 -7.598 -1.078 1.00 0.00 H new ATOM 0 HA SER A 6 4.894 -6.931 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.216 -8.837 0.791 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.185 -9.706 -0.382 1.00 0.00 H new ATOM 0 HG SER A 6 4.734 -10.267 1.800 1.00 0.00 H new ATOM 74 N SER A 7 6.005 -7.926 -2.211 1.00 0.00 N ATOM 75 CA SER A 7 7.208 -8.097 -3.019 1.00 0.00 C ATOM 76 C SER A 7 7.595 -6.785 -3.704 1.00 0.00 C ATOM 77 O SER A 7 8.756 -6.581 -4.061 1.00 0.00 O ATOM 78 CB SER A 7 6.993 -9.190 -4.067 1.00 0.00 C ATOM 79 OG SER A 7 7.466 -10.444 -3.602 1.00 0.00 O ATOM 0 H SER A 7 5.138 -7.895 -2.748 1.00 0.00 H new ATOM 0 HA SER A 7 8.021 -8.394 -2.357 1.00 0.00 H new ATOM 0 HB2 SER A 7 5.932 -9.264 -4.307 1.00 0.00 H new ATOM 0 HB3 SER A 7 7.510 -8.922 -4.988 1.00 0.00 H new ATOM 0 HG SER A 7 7.315 -11.126 -4.290 1.00 0.00 H new ATOM 85 N LEU A 8 6.616 -5.899 -3.883 1.00 0.00 N ATOM 86 CA LEU A 8 6.857 -4.607 -4.522 1.00 0.00 C ATOM 87 C LEU A 8 7.903 -3.807 -3.750 1.00 0.00 C ATOM 88 O LEU A 8 8.594 -4.346 -2.886 1.00 0.00 O ATOM 89 CB LEU A 8 5.550 -3.811 -4.612 1.00 0.00 C ATOM 90 CG LEU A 8 4.978 -3.646 -6.021 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.799 -4.579 -6.227 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.560 -2.202 -6.264 1.00 0.00 C ATOM 0 H LEU A 8 5.650 -6.052 -3.595 1.00 0.00 H new ATOM 0 HA LEU A 8 7.235 -4.788 -5.528 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.802 -4.302 -3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.717 -2.821 -4.188 1.00 0.00 H new ATOM 0 HG LEU A 8 5.756 -3.905 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.404 -4.449 -7.234 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.124 -5.611 -6.095 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.021 -4.348 -5.499 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.156 -2.105 -7.272 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.798 -1.917 -5.538 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.426 -1.549 -6.156 1.00 0.00 H new ATOM 104 N THR A 9 8.007 -2.518 -4.061 1.00 0.00 N ATOM 105 CA THR A 9 8.964 -1.646 -3.387 1.00 0.00 C ATOM 106 C THR A 9 8.243 -0.628 -2.516 1.00 0.00 C ATOM 107 O THR A 9 7.083 -0.298 -2.754 1.00 0.00 O ATOM 108 CB THR A 9 9.857 -0.923 -4.400 1.00 0.00 C ATOM 109 OG1 THR A 9 10.323 0.308 -3.869 1.00 0.00 O ATOM 110 CG2 THR A 9 9.165 -0.621 -5.713 1.00 0.00 C ATOM 0 H THR A 9 7.442 -2.055 -4.773 1.00 0.00 H new ATOM 0 HA THR A 9 9.593 -2.272 -2.753 1.00 0.00 H new ATOM 0 HB THR A 9 10.680 -1.611 -4.595 1.00 0.00 H new ATOM 0 HG1 THR A 9 11.089 0.622 -4.394 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.858 -0.109 -6.380 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.838 -1.553 -6.175 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.300 0.016 -5.530 1.00 0.00 H new ATOM 118 N VAL A 10 8.945 -0.128 -1.509 1.00 0.00 N ATOM 119 CA VAL A 10 8.380 0.858 -0.601 1.00 0.00 C ATOM 120 C VAL A 10 7.962 2.115 -1.349 1.00 0.00 C ATOM 121 O VAL A 10 7.012 2.788 -0.960 1.00 0.00 O ATOM 122 CB VAL A 10 9.391 1.252 0.489 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.603 0.106 1.467 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.706 1.681 -0.146 1.00 0.00 C ATOM 0 H VAL A 10 9.908 -0.390 -1.301 1.00 0.00 H new ATOM 0 HA VAL A 10 7.506 0.399 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 10 8.990 2.096 1.050 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.322 0.407 2.229 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.655 -0.147 1.942 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.984 -0.763 0.932 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.414 1.958 0.635 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.114 0.856 -0.730 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.533 2.537 -0.798 1.00 0.00 H new ATOM 134 N VAL A 11 8.683 2.428 -2.421 1.00 0.00 N ATOM 135 CA VAL A 11 8.392 3.614 -3.217 1.00 0.00 C ATOM 136 C VAL A 11 7.107 3.445 -4.014 1.00 0.00 C ATOM 137 O VAL A 11 6.276 4.353 -4.076 1.00 0.00 O ATOM 138 CB VAL A 11 9.554 3.937 -4.181 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.880 3.855 -3.449 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.553 2.996 -5.380 1.00 0.00 C ATOM 0 H VAL A 11 9.472 1.877 -2.758 1.00 0.00 H new ATOM 0 HA VAL A 11 8.267 4.443 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 11 9.414 4.953 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.692 4.085 -4.139 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.888 4.572 -2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 11 11.015 2.849 -3.052 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.382 3.248 -6.041 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.663 1.968 -5.036 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.613 3.099 -5.922 1.00 0.00 H new ATOM 150 N GLN A 12 6.948 2.276 -4.618 1.00 0.00 N ATOM 151 CA GLN A 12 5.764 1.991 -5.409 1.00 0.00 C ATOM 152 C GLN A 12 4.571 1.774 -4.503 1.00 0.00 C ATOM 153 O GLN A 12 3.461 2.204 -4.807 1.00 0.00 O ATOM 154 CB GLN A 12 5.986 0.760 -6.286 1.00 0.00 C ATOM 155 CG GLN A 12 6.940 1.002 -7.444 1.00 0.00 C ATOM 156 CD GLN A 12 7.169 -0.241 -8.282 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.430 -0.531 -8.578 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 6.223 -0.931 -8.660 1.00 0.00 N flip ATOM 0 H GLN A 12 7.623 1.513 -4.575 1.00 0.00 H new ATOM 0 HA GLN A 12 5.568 2.846 -6.056 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.375 -0.050 -5.669 1.00 0.00 H new ATOM 0 HB3 GLN A 12 5.026 0.427 -6.681 1.00 0.00 H new ATOM 0 HG2 GLN A 12 6.542 1.794 -8.078 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.895 1.354 -7.055 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.269 -0.670 -8.409 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.392 -1.764 -9.224 1.00 0.00 H new ATOM 167 N LEU A 13 4.813 1.101 -3.384 1.00 0.00 N ATOM 168 CA LEU A 13 3.762 0.816 -2.424 1.00 0.00 C ATOM 169 C LEU A 13 3.143 2.103 -1.890 1.00 0.00 C ATOM 170 O LEU A 13 1.928 2.283 -1.937 1.00 0.00 O ATOM 171 CB LEU A 13 4.305 -0.029 -1.270 1.00 0.00 C ATOM 172 CG LEU A 13 3.904 -1.506 -1.313 1.00 0.00 C ATOM 173 CD1 LEU A 13 5.026 -2.349 -1.891 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.530 -2.003 0.075 1.00 0.00 C ATOM 0 H LEU A 13 5.732 0.743 -3.122 1.00 0.00 H new ATOM 0 HA LEU A 13 2.983 0.251 -2.937 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.393 0.038 -1.270 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.959 0.400 -0.330 1.00 0.00 H new ATOM 0 HG LEU A 13 3.032 -1.601 -1.960 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.721 -3.395 -1.913 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.247 -2.014 -2.904 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.917 -2.244 -1.271 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.248 -3.055 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.383 -1.889 0.744 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.690 -1.422 0.456 1.00 0.00 H new ATOM 186 N LYS A 14 3.978 2.994 -1.376 1.00 0.00 N ATOM 187 CA LYS A 14 3.491 4.253 -0.830 1.00 0.00 C ATOM 188 C LYS A 14 3.010 5.194 -1.931 1.00 0.00 C ATOM 189 O LYS A 14 2.107 5.999 -1.712 1.00 0.00 O ATOM 190 CB LYS A 14 4.577 4.933 -0.004 1.00 0.00 C ATOM 191 CG LYS A 14 5.752 5.426 -0.830 1.00 0.00 C ATOM 192 CD LYS A 14 6.747 6.210 0.015 1.00 0.00 C ATOM 193 CE LYS A 14 6.054 7.248 0.885 1.00 0.00 C ATOM 194 NZ LYS A 14 6.853 8.499 1.004 1.00 0.00 N ATOM 0 H LYS A 14 4.989 2.871 -1.325 1.00 0.00 H new ATOM 0 HA LYS A 14 2.642 4.023 -0.186 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.140 5.777 0.530 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.941 4.233 0.748 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.256 4.576 -1.289 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.387 6.057 -1.641 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.309 5.522 0.647 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.467 6.704 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.077 7.481 0.463 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.881 6.832 1.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.345 9.179 1.605 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.776 8.282 1.431 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.996 8.911 0.060 1.00 0.00 H new ATOM 208 N ASP A 15 3.605 5.089 -3.116 1.00 0.00 N ATOM 209 CA ASP A 15 3.216 5.940 -4.233 1.00 0.00 C ATOM 210 C ASP A 15 1.789 5.619 -4.655 1.00 0.00 C ATOM 211 O ASP A 15 0.929 6.503 -4.748 1.00 0.00 O ATOM 212 CB ASP A 15 4.177 5.747 -5.409 1.00 0.00 C ATOM 213 CG ASP A 15 3.823 6.620 -6.599 1.00 0.00 C ATOM 214 OD1 ASP A 15 4.428 6.428 -7.675 1.00 0.00 O ATOM 215 OD2 ASP A 15 2.943 7.495 -6.454 1.00 0.00 O ATOM 0 H ASP A 15 4.353 4.428 -3.325 1.00 0.00 H new ATOM 0 HA ASP A 15 3.264 6.982 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.193 5.975 -5.085 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.167 4.701 -5.714 1.00 0.00 H new ATOM 220 N LEU A 16 1.529 4.340 -4.878 1.00 0.00 N ATOM 221 CA LEU A 16 0.203 3.909 -5.255 1.00 0.00 C ATOM 222 C LEU A 16 -0.746 4.159 -4.098 1.00 0.00 C ATOM 223 O LEU A 16 -1.904 4.506 -4.298 1.00 0.00 O ATOM 224 CB LEU A 16 0.221 2.425 -5.662 1.00 0.00 C ATOM 225 CG LEU A 16 -0.287 1.414 -4.621 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.166 0.363 -5.281 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.879 0.752 -3.911 1.00 0.00 C ATOM 0 H LEU A 16 2.217 3.591 -4.804 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.143 4.478 -6.118 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.379 2.313 -6.565 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.245 2.157 -5.924 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.884 1.952 -3.884 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.516 -0.344 -4.528 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.022 0.847 -5.750 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.590 -0.169 -6.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.501 0.039 -3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.499 0.229 -4.639 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.476 1.511 -3.405 1.00 0.00 H new ATOM 239 N LEU A 17 -0.225 3.981 -2.883 1.00 0.00 N ATOM 240 CA LEU A 17 -1.006 4.175 -1.669 1.00 0.00 C ATOM 241 C LEU A 17 -1.681 5.532 -1.653 1.00 0.00 C ATOM 242 O LEU A 17 -2.903 5.631 -1.540 1.00 0.00 O ATOM 243 CB LEU A 17 -0.094 4.079 -0.456 1.00 0.00 C ATOM 244 CG LEU A 17 0.014 2.700 0.168 1.00 0.00 C ATOM 245 CD1 LEU A 17 1.091 2.701 1.241 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.329 2.277 0.738 1.00 0.00 C ATOM 0 H LEU A 17 0.742 3.701 -2.717 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.772 3.400 -1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.904 4.408 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.451 4.776 0.302 1.00 0.00 H new ATOM 0 HG LEU A 17 0.296 1.978 -0.598 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.163 1.708 1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.049 2.970 0.795 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.834 3.426 2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.240 1.286 1.183 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.642 2.990 1.501 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.071 2.251 -0.060 1.00 0.00 H new ATOM 258 N THR A 18 -0.880 6.577 -1.789 1.00 0.00 N ATOM 259 CA THR A 18 -1.420 7.927 -1.812 1.00 0.00 C ATOM 260 C THR A 18 -2.291 8.079 -3.047 1.00 0.00 C ATOM 261 O THR A 18 -3.253 8.846 -3.054 1.00 0.00 O ATOM 262 CB THR A 18 -0.308 8.991 -1.785 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.668 10.119 -2.563 1.00 0.00 O ATOM 264 CG2 THR A 18 1.030 8.499 -2.290 1.00 0.00 C ATOM 0 H THR A 18 0.134 6.519 -1.884 1.00 0.00 H new ATOM 0 HA THR A 18 -2.019 8.085 -0.915 1.00 0.00 H new ATOM 0 HB THR A 18 -0.201 9.249 -0.731 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.052 10.783 -2.530 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.758 9.308 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.368 7.667 -1.673 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.929 8.167 -3.323 1.00 0.00 H new ATOM 272 N LYS A 19 -1.952 7.324 -4.092 1.00 0.00 N ATOM 273 CA LYS A 19 -2.714 7.364 -5.327 1.00 0.00 C ATOM 274 C LYS A 19 -4.089 6.698 -5.158 1.00 0.00 C ATOM 275 O LYS A 19 -4.999 6.949 -5.948 1.00 0.00 O ATOM 276 CB LYS A 19 -1.940 6.683 -6.457 1.00 0.00 C ATOM 277 CG LYS A 19 -0.735 7.478 -6.934 1.00 0.00 C ATOM 278 CD LYS A 19 0.237 6.604 -7.710 1.00 0.00 C ATOM 279 CE LYS A 19 0.817 7.341 -8.907 1.00 0.00 C ATOM 280 NZ LYS A 19 2.277 7.091 -9.061 1.00 0.00 N ATOM 0 H LYS A 19 -1.159 6.683 -4.103 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.872 8.412 -5.584 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.607 5.702 -6.118 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.612 6.518 -7.299 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.068 8.302 -7.565 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.226 7.918 -6.077 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.045 6.284 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.274 5.703 -8.049 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.298 7.027 -9.813 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.642 8.411 -8.794 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 2.599 7.468 -9.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 2.793 7.562 -8.291 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 2.460 6.068 -9.025 1.00 0.00 H new ATOM 351 N SER A 23 -3.140 6.033 2.521 1.00 0.00 N ATOM 352 CA SER A 23 -1.977 6.735 3.038 1.00 0.00 C ATOM 353 C SER A 23 -0.752 5.841 3.075 1.00 0.00 C ATOM 354 O SER A 23 -0.793 4.678 2.676 1.00 0.00 O ATOM 355 CB SER A 23 -2.236 7.290 4.433 1.00 0.00 C ATOM 356 OG SER A 23 -3.347 8.168 4.441 1.00 0.00 O ATOM 0 HA SER A 23 -1.787 7.563 2.355 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.415 6.468 5.126 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.350 7.818 4.787 1.00 0.00 H new ATOM 0 HG SER A 23 -3.951 7.939 3.704 1.00 0.00 H new ATOM 362 N VAL A 24 0.343 6.413 3.553 1.00 0.00 N ATOM 363 CA VAL A 24 1.604 5.706 3.650 1.00 0.00 C ATOM 364 C VAL A 24 2.192 5.808 5.058 1.00 0.00 C ATOM 365 O VAL A 24 3.259 5.259 5.333 1.00 0.00 O ATOM 366 CB VAL A 24 2.613 6.258 2.628 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.933 6.460 1.285 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.219 7.563 3.125 1.00 0.00 C ATOM 0 H VAL A 24 0.379 7.378 3.883 1.00 0.00 H new ATOM 0 HA VAL A 24 1.409 4.656 3.432 1.00 0.00 H new ATOM 0 HB VAL A 24 3.420 5.536 2.506 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.654 6.851 0.567 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.545 5.507 0.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.111 7.168 1.396 1.00 0.00 H new ATOM 0 HG21 VAL A 24 3.930 7.938 2.389 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.428 8.298 3.273 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.733 7.389 4.070 1.00 0.00 H new ATOM 378 N GLY A 25 1.489 6.502 5.949 1.00 0.00 N ATOM 379 CA GLY A 25 1.960 6.642 7.314 1.00 0.00 C ATOM 380 C GLY A 25 1.841 5.344 8.088 1.00 0.00 C ATOM 381 O GLY A 25 1.162 5.281 9.114 1.00 0.00 O ATOM 0 H GLY A 25 0.604 6.968 5.750 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.000 6.967 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.386 7.420 7.818 1.00 0.00 H new ATOM 385 N GLY A 26 2.504 4.306 7.590 1.00 0.00 N ATOM 386 CA GLY A 26 2.470 3.012 8.237 1.00 0.00 C ATOM 387 C GLY A 26 3.766 2.263 8.031 1.00 0.00 C ATOM 388 O GLY A 26 4.677 2.354 8.851 1.00 0.00 O ATOM 0 H GLY A 26 3.069 4.341 6.741 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.287 3.141 9.304 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.641 2.426 7.840 1.00 0.00 H new ATOM 392 N LEU A 27 3.848 1.527 6.925 1.00 0.00 N ATOM 393 CA LEU A 27 5.038 0.756 6.585 1.00 0.00 C ATOM 394 C LEU A 27 4.743 -0.189 5.429 1.00 0.00 C ATOM 395 O LEU A 27 3.586 -0.420 5.098 1.00 0.00 O ATOM 396 CB LEU A 27 5.516 -0.039 7.797 1.00 0.00 C ATOM 397 CG LEU A 27 6.959 0.227 8.222 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.924 -0.374 7.217 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.217 1.722 8.378 1.00 0.00 C ATOM 0 H LEU A 27 3.094 1.449 6.243 1.00 0.00 H new ATOM 0 HA LEU A 27 5.824 1.448 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.860 0.183 8.639 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.408 -1.102 7.580 1.00 0.00 H new ATOM 0 HG LEU A 27 7.120 -0.247 9.190 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.948 -0.176 7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.764 -1.451 7.158 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.754 0.073 6.237 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.252 1.883 8.681 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.035 2.224 7.428 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.549 2.129 9.137 1.00 0.00 H new ATOM 411 N LYS A 28 5.790 -0.740 4.819 1.00 0.00 N ATOM 412 CA LYS A 28 5.621 -1.666 3.703 1.00 0.00 C ATOM 413 C LYS A 28 4.576 -2.725 4.041 1.00 0.00 C ATOM 414 O LYS A 28 3.565 -2.856 3.353 1.00 0.00 O ATOM 415 CB LYS A 28 6.955 -2.331 3.353 1.00 0.00 C ATOM 416 CG LYS A 28 7.222 -2.410 1.859 1.00 0.00 C ATOM 417 CD LYS A 28 8.411 -3.308 1.553 1.00 0.00 C ATOM 418 CE LYS A 28 8.307 -3.918 0.164 1.00 0.00 C ATOM 419 NZ LYS A 28 8.874 -5.294 0.118 1.00 0.00 N ATOM 0 H LYS A 28 6.760 -0.562 5.078 1.00 0.00 H new ATOM 0 HA LYS A 28 5.276 -1.101 2.837 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.764 -1.777 3.829 1.00 0.00 H new ATOM 0 HB3 LYS A 28 6.970 -3.338 3.770 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.337 -2.790 1.350 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.410 -1.410 1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.333 -2.731 1.630 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.469 -4.103 2.297 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.261 -3.946 -0.143 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.832 -3.285 -0.551 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 9.497 -5.385 -0.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.420 -5.473 0.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 8.101 -5.986 0.047 1.00 0.00 H new ATOM 433 N ASN A 29 4.816 -3.464 5.122 1.00 0.00 N ATOM 434 CA ASN A 29 3.884 -4.495 5.565 1.00 0.00 C ATOM 435 C ASN A 29 2.490 -3.897 5.725 1.00 0.00 C ATOM 436 O ASN A 29 1.497 -4.462 5.262 1.00 0.00 O ATOM 437 CB ASN A 29 4.367 -5.103 6.888 1.00 0.00 C ATOM 438 CG ASN A 29 3.296 -5.911 7.598 1.00 0.00 C ATOM 439 OD1 ASN A 29 2.746 -6.860 7.040 1.00 0.00 O ATOM 440 ND2 ASN A 29 2.997 -5.533 8.834 1.00 0.00 N ATOM 0 H ASN A 29 5.647 -3.367 5.706 1.00 0.00 H new ATOM 0 HA ASN A 29 3.839 -5.287 4.817 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.228 -5.743 6.694 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.706 -4.303 7.546 1.00 0.00 H new ATOM 0 HD21 ASN A 29 2.284 -6.036 9.363 1.00 0.00 H new ATOM 0 HD22 ASN A 29 3.480 -4.740 9.256 1.00 0.00 H new ATOM 447 N GLU A 30 2.438 -2.737 6.364 1.00 0.00 N ATOM 448 CA GLU A 30 1.183 -2.028 6.572 1.00 0.00 C ATOM 449 C GLU A 30 0.619 -1.552 5.240 1.00 0.00 C ATOM 450 O GLU A 30 -0.593 -1.415 5.077 1.00 0.00 O ATOM 451 CB GLU A 30 1.407 -0.837 7.504 1.00 0.00 C ATOM 452 CG GLU A 30 1.213 -1.172 8.974 1.00 0.00 C ATOM 453 CD GLU A 30 0.270 -0.212 9.673 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.913 -0.569 9.853 1.00 0.00 O ATOM 455 OE2 GLU A 30 0.714 0.896 10.039 1.00 0.00 O ATOM 0 H GLU A 30 3.256 -2.264 6.750 1.00 0.00 H new ATOM 0 HA GLU A 30 0.465 -2.708 7.031 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.417 -0.456 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.721 -0.036 7.228 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.824 -2.186 9.063 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.180 -1.156 9.477 1.00 0.00 H new ATOM 462 N TRP A 31 1.517 -1.291 4.295 1.00 0.00 N ATOM 463 CA TRP A 31 1.136 -0.817 2.976 1.00 0.00 C ATOM 464 C TRP A 31 0.497 -1.930 2.155 1.00 0.00 C ATOM 465 O TRP A 31 -0.553 -1.734 1.546 1.00 0.00 O ATOM 466 CB TRP A 31 2.363 -0.237 2.266 1.00 0.00 C ATOM 467 CG TRP A 31 2.852 1.023 2.913 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.208 1.729 3.889 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.076 1.729 2.651 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.943 2.826 4.243 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.093 2.849 3.505 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.159 1.531 1.785 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.141 3.760 3.519 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.200 2.440 1.803 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.185 3.542 2.665 1.00 0.00 C ATOM 0 H TRP A 31 2.523 -1.402 4.424 1.00 0.00 H new ATOM 0 HA TRP A 31 0.389 -0.031 3.085 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.163 -0.977 2.266 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.115 -0.035 1.224 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.255 1.459 4.319 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.676 3.516 4.945 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.180 0.684 1.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.131 4.612 4.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.040 2.297 1.140 1.00 0.00 H new ATOM 0 HH2 TRP A 31 7.015 4.234 2.655 1.00 0.00 H new ATOM 486 N VAL A 32 1.116 -3.107 2.155 1.00 0.00 N ATOM 487 CA VAL A 32 0.570 -4.237 1.418 1.00 0.00 C ATOM 488 C VAL A 32 -0.759 -4.669 2.028 1.00 0.00 C ATOM 489 O VAL A 32 -1.681 -5.062 1.317 1.00 0.00 O ATOM 490 CB VAL A 32 1.538 -5.439 1.397 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.836 -5.922 2.809 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.971 -6.569 0.547 1.00 0.00 C ATOM 0 H VAL A 32 1.986 -3.300 2.652 1.00 0.00 H new ATOM 0 HA VAL A 32 0.419 -3.908 0.390 1.00 0.00 H new ATOM 0 HB VAL A 32 2.476 -5.112 0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.520 -6.769 2.767 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.293 -5.115 3.381 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.908 -6.228 3.292 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.668 -7.407 0.545 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.016 -6.892 0.961 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.823 -6.217 -0.474 1.00 0.00 H new ATOM 502 N GLN A 33 -0.849 -4.588 3.350 1.00 0.00 N ATOM 503 CA GLN A 33 -2.068 -4.967 4.053 1.00 0.00 C ATOM 504 C GLN A 33 -3.197 -3.983 3.760 1.00 0.00 C ATOM 505 O GLN A 33 -4.325 -4.389 3.474 1.00 0.00 O ATOM 506 CB GLN A 33 -1.811 -5.036 5.561 1.00 0.00 C ATOM 507 CG GLN A 33 -0.996 -6.246 5.984 1.00 0.00 C ATOM 508 CD GLN A 33 -1.597 -7.551 5.502 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.519 -8.089 6.116 1.00 0.00 O ATOM 510 NE2 GLN A 33 -1.077 -8.069 4.395 1.00 0.00 N ATOM 0 H GLN A 33 -0.095 -4.264 3.955 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.371 -5.952 3.697 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -1.291 -4.131 5.874 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.767 -5.052 6.084 1.00 0.00 H new ATOM 0 HG2 GLN A 33 0.017 -6.151 5.594 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.919 -6.265 7.071 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.313 -7.590 3.918 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -1.441 -8.946 4.022 1.00 0.00 H new ATOM 519 N ARG A 34 -2.893 -2.689 3.834 1.00 0.00 N ATOM 520 CA ARG A 34 -3.894 -1.659 3.577 1.00 0.00 C ATOM 521 C ARG A 34 -4.312 -1.652 2.107 1.00 0.00 C ATOM 522 O ARG A 34 -5.495 -1.514 1.798 1.00 0.00 O ATOM 523 CB ARG A 34 -3.376 -0.285 4.002 1.00 0.00 C ATOM 524 CG ARG A 34 -2.237 0.231 3.157 1.00 0.00 C ATOM 525 CD ARG A 34 -1.852 1.643 3.560 1.00 0.00 C ATOM 526 NE ARG A 34 -1.688 1.791 5.005 1.00 0.00 N ATOM 527 CZ ARG A 34 -0.802 2.604 5.577 1.00 0.00 C ATOM 528 NH1 ARG A 34 0.000 3.357 4.836 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.726 2.671 6.898 1.00 0.00 N ATOM 0 H ARG A 34 -1.967 -2.331 4.068 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.776 -1.891 4.173 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -4.198 0.430 3.961 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.050 -0.337 5.041 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.375 -0.428 3.262 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.524 0.215 2.106 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.922 1.918 3.063 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -2.617 2.337 3.212 1.00 0.00 H new ATOM 0 HE ARG A 34 -2.290 1.237 5.614 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -0.059 3.317 3.818 1.00 0.00 H new ATOM 0 HH12 ARG A 34 0.675 3.977 5.284 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -1.345 2.101 7.474 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.048 3.293 7.339 1.00 0.00 H new ATOM 543 N LEU A 35 -3.349 -1.826 1.202 1.00 0.00 N ATOM 544 CA LEU A 35 -3.656 -1.860 -0.225 1.00 0.00 C ATOM 545 C LEU A 35 -4.520 -3.076 -0.534 1.00 0.00 C ATOM 546 O LEU A 35 -5.586 -2.958 -1.141 1.00 0.00 O ATOM 547 CB LEU A 35 -2.376 -1.927 -1.062 1.00 0.00 C ATOM 548 CG LEU A 35 -1.457 -0.704 -0.996 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.094 -1.057 -1.565 1.00 0.00 C ATOM 550 CD2 LEU A 35 -2.052 0.478 -1.751 1.00 0.00 C ATOM 0 H LEU A 35 -2.362 -1.944 1.429 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.191 -0.945 -0.479 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.806 -2.801 -0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.656 -2.089 -2.103 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.350 -0.412 0.049 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.558 -0.185 -1.517 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.343 -1.869 -0.984 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.203 -1.371 -2.603 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.375 1.330 -1.685 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.193 0.207 -2.797 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -3.014 0.744 -1.312 1.00 0.00 H new ATOM 562 N ILE A 36 -4.060 -4.245 -0.089 1.00 0.00 N ATOM 563 CA ILE A 36 -4.791 -5.490 -0.299 1.00 0.00 C ATOM 564 C ILE A 36 -6.219 -5.356 0.220 1.00 0.00 C ATOM 565 O ILE A 36 -7.165 -5.847 -0.396 1.00 0.00 O ATOM 566 CB ILE A 36 -4.099 -6.679 0.410 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.772 -7.023 -0.274 1.00 0.00 C ATOM 568 CG2 ILE A 36 -5.010 -7.902 0.428 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.927 -7.996 0.520 1.00 0.00 C ATOM 0 H ILE A 36 -3.183 -4.354 0.420 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.805 -5.687 -1.371 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.894 -6.382 1.438 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -2.977 -7.447 -1.257 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.205 -6.106 -0.434 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.503 -8.726 0.931 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.930 -7.662 0.961 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.248 -8.193 -0.595 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.001 -8.198 -0.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.693 -7.565 1.493 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.477 -8.927 0.658 1.00 0.00 H new ATOM 581 N LYS A 37 -6.364 -4.672 1.348 1.00 0.00 N ATOM 582 CA LYS A 37 -7.670 -4.451 1.945 1.00 0.00 C ATOM 583 C LYS A 37 -8.452 -3.448 1.113 1.00 0.00 C ATOM 584 O LYS A 37 -9.679 -3.512 1.030 1.00 0.00 O ATOM 585 CB LYS A 37 -7.524 -3.945 3.382 1.00 0.00 C ATOM 586 CG LYS A 37 -8.853 -3.686 4.073 1.00 0.00 C ATOM 587 CD LYS A 37 -8.655 -3.246 5.515 1.00 0.00 C ATOM 588 CE LYS A 37 -8.894 -4.391 6.488 1.00 0.00 C ATOM 589 NZ LYS A 37 -9.972 -4.073 7.465 1.00 0.00 N ATOM 0 H LYS A 37 -5.589 -4.260 1.867 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.211 -5.397 1.967 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.960 -4.676 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -6.941 -3.024 3.377 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -9.403 -2.918 3.529 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.460 -4.591 4.048 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -7.642 -2.864 5.644 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -9.336 -2.426 5.743 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -9.161 -5.290 5.932 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -7.971 -4.610 7.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -10.104 -4.878 8.110 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -9.706 -3.230 8.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -10.859 -3.889 6.955 1.00 0.00 H new ATOM 603 N ASP A 38 -7.726 -2.522 0.494 1.00 0.00 N ATOM 604 CA ASP A 38 -8.340 -1.503 -0.337 1.00 0.00 C ATOM 605 C ASP A 38 -8.938 -2.124 -1.594 1.00 0.00 C ATOM 606 O ASP A 38 -10.088 -1.861 -1.945 1.00 0.00 O ATOM 607 CB ASP A 38 -7.309 -0.441 -0.718 1.00 0.00 C ATOM 608 CG ASP A 38 -7.951 0.799 -1.308 1.00 0.00 C ATOM 609 OD1 ASP A 38 -7.644 1.130 -2.473 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.761 1.440 -0.605 1.00 0.00 O ATOM 0 H ASP A 38 -6.710 -2.460 0.555 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.141 -1.032 0.232 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.733 -0.164 0.165 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.607 -0.861 -1.438 1.00 0.00 H new ATOM 615 N ASP A 39 -8.147 -2.954 -2.265 1.00 0.00 N ATOM 616 CA ASP A 39 -8.592 -3.624 -3.480 1.00 0.00 C ATOM 617 C ASP A 39 -9.677 -4.644 -3.159 1.00 0.00 C ATOM 618 O ASP A 39 -10.599 -4.858 -3.947 1.00 0.00 O ATOM 619 CB ASP A 39 -7.411 -4.313 -4.169 1.00 0.00 C ATOM 620 CG ASP A 39 -6.786 -3.454 -5.251 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.352 -2.385 -5.564 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.729 -3.850 -5.785 1.00 0.00 O ATOM 0 H ASP A 39 -7.192 -3.179 -1.987 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.006 -2.875 -4.155 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.654 -4.560 -3.424 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.748 -5.253 -4.606 1.00 0.00 H new ATOM 627 N GLU A 40 -9.558 -5.269 -1.993 1.00 0.00 N ATOM 628 CA GLU A 40 -10.526 -6.267 -1.554 1.00 0.00 C ATOM 629 C GLU A 40 -11.761 -5.605 -0.958 1.00 0.00 C ATOM 630 O GLU A 40 -12.832 -6.208 -0.897 1.00 0.00 O ATOM 631 CB GLU A 40 -9.892 -7.215 -0.534 1.00 0.00 C ATOM 632 CG GLU A 40 -10.451 -8.627 -0.583 1.00 0.00 C ATOM 633 CD GLU A 40 -11.369 -8.932 0.585 1.00 0.00 C ATOM 634 OE1 GLU A 40 -11.028 -8.549 1.724 1.00 0.00 O ATOM 635 OE2 GLU A 40 -12.429 -9.553 0.360 1.00 0.00 O ATOM 0 H GLU A 40 -8.798 -5.101 -1.333 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.834 -6.843 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.816 -7.253 -0.706 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.040 -6.810 0.467 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -10.998 -8.765 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.627 -9.340 -0.588 1.00 0.00 H new