USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=8 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 177:sc= 0.00925 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 70:sc= -1.37 USER MOD Single : A 12 GLN :FLIP amide:sc= -0.583 F(o=-1.9,f=-0.58) 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+ -136:sc= -0.28 (180deg=-1.44) USER MOD Single : A 23 SER OG : rot 30:sc= 0.0846 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -1.29 K(o=-1.3,f=-5.3!) USER MOD Single : A 33 GLN : amide:sc= -0.6 X(o=-0.6,f=-0.28) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 42 N TYR A 5 2.035 -6.613 -3.146 1.00 0.00 N ATOM 43 CA TYR A 5 2.889 -5.527 -2.689 1.00 0.00 C ATOM 44 C TYR A 5 3.999 -6.034 -1.781 1.00 0.00 C ATOM 45 O TYR A 5 5.080 -5.449 -1.722 1.00 0.00 O ATOM 46 CB TYR A 5 2.055 -4.483 -1.958 1.00 0.00 C ATOM 47 CG TYR A 5 0.807 -4.092 -2.705 1.00 0.00 C ATOM 48 CD1 TYR A 5 0.863 -3.174 -3.740 1.00 0.00 C ATOM 49 CD2 TYR A 5 -0.426 -4.638 -2.374 1.00 0.00 C ATOM 50 CE1 TYR A 5 -0.271 -2.807 -4.427 1.00 0.00 C ATOM 51 CE2 TYR A 5 -1.570 -4.277 -3.056 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.488 -3.359 -4.084 1.00 0.00 C ATOM 53 OH TYR A 5 -2.625 -2.995 -4.769 1.00 0.00 O ATOM 0 HA TYR A 5 3.354 -5.074 -3.565 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.778 -4.870 -0.978 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.663 -3.594 -1.789 1.00 0.00 H new ATOM 0 HD1 TYR A 5 1.813 -2.739 -4.013 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -0.491 -5.356 -1.570 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -0.209 -2.089 -5.232 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -2.523 -4.709 -2.788 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.388 -3.512 -4.435 1.00 0.00 H new ATOM 63 N SER A 6 3.729 -7.129 -1.080 1.00 0.00 N ATOM 64 CA SER A 6 4.709 -7.717 -0.176 1.00 0.00 C ATOM 65 C SER A 6 6.049 -7.920 -0.885 1.00 0.00 C ATOM 66 O SER A 6 7.100 -7.961 -0.245 1.00 0.00 O ATOM 67 CB SER A 6 4.183 -9.043 0.373 1.00 0.00 C ATOM 68 OG SER A 6 5.037 -9.555 1.381 1.00 0.00 O ATOM 0 H SER A 6 2.840 -7.627 -1.120 1.00 0.00 H new ATOM 0 HA SER A 6 4.870 -7.032 0.656 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.182 -8.900 0.779 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.098 -9.767 -0.437 1.00 0.00 H new ATOM 0 HG SER A 6 4.676 -10.403 1.716 1.00 0.00 H new ATOM 74 N SER A 7 6.002 -8.031 -2.211 1.00 0.00 N ATOM 75 CA SER A 7 7.209 -8.211 -3.010 1.00 0.00 C ATOM 76 C SER A 7 7.590 -6.906 -3.712 1.00 0.00 C ATOM 77 O SER A 7 8.749 -6.702 -4.074 1.00 0.00 O ATOM 78 CB SER A 7 7.001 -9.319 -4.045 1.00 0.00 C ATOM 79 OG SER A 7 8.125 -9.436 -4.899 1.00 0.00 O ATOM 0 H SER A 7 5.139 -7.999 -2.754 1.00 0.00 H new ATOM 0 HA SER A 7 8.021 -8.498 -2.342 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.826 -10.267 -3.537 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.111 -9.106 -4.637 1.00 0.00 H new ATOM 0 HG SER A 7 7.968 -10.151 -5.550 1.00 0.00 H new ATOM 85 N LEU A 8 6.607 -6.026 -3.896 1.00 0.00 N ATOM 86 CA LEU A 8 6.834 -4.740 -4.548 1.00 0.00 C ATOM 87 C LEU A 8 7.875 -3.923 -3.779 1.00 0.00 C ATOM 88 O LEU A 8 8.633 -4.471 -2.978 1.00 0.00 O ATOM 89 CB LEU A 8 5.513 -3.968 -4.643 1.00 0.00 C ATOM 90 CG LEU A 8 4.973 -3.757 -6.060 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.860 -4.750 -6.353 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.473 -2.330 -6.234 1.00 0.00 C ATOM 0 H LEU A 8 5.643 -6.182 -3.601 1.00 0.00 H new ATOM 0 HA LEU A 8 7.216 -4.917 -5.553 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.760 -4.499 -4.061 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.648 -2.993 -4.175 1.00 0.00 H new ATOM 0 HG LEU A 8 5.784 -3.925 -6.769 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.485 -4.589 -7.364 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.247 -5.766 -6.267 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.049 -4.609 -5.639 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.093 -2.199 -7.247 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.674 -2.135 -5.519 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.293 -1.633 -6.061 1.00 0.00 H new ATOM 104 N THR A 9 7.907 -2.612 -4.019 1.00 0.00 N ATOM 105 CA THR A 9 8.856 -1.737 -3.339 1.00 0.00 C ATOM 106 C THR A 9 8.128 -0.721 -2.472 1.00 0.00 C ATOM 107 O THR A 9 6.950 -0.435 -2.681 1.00 0.00 O ATOM 108 CB THR A 9 9.750 -1.003 -4.346 1.00 0.00 C ATOM 109 OG1 THR A 9 10.167 0.251 -3.825 1.00 0.00 O ATOM 110 CG2 THR A 9 9.077 -0.741 -5.678 1.00 0.00 C ATOM 0 H THR A 9 7.289 -2.136 -4.676 1.00 0.00 H new ATOM 0 HA THR A 9 9.483 -2.364 -2.705 1.00 0.00 H new ATOM 0 HB THR A 9 10.597 -1.669 -4.513 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.800 0.106 -3.091 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.769 -0.219 -6.339 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.787 -1.689 -6.132 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.190 -0.127 -5.523 1.00 0.00 H new ATOM 118 N VAL A 10 8.846 -0.169 -1.507 1.00 0.00 N ATOM 119 CA VAL A 10 8.283 0.829 -0.613 1.00 0.00 C ATOM 120 C VAL A 10 7.869 2.071 -1.384 1.00 0.00 C ATOM 121 O VAL A 10 6.865 2.702 -1.067 1.00 0.00 O ATOM 122 CB VAL A 10 9.298 1.243 0.467 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.479 0.136 1.493 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.625 1.614 -0.179 1.00 0.00 C ATOM 0 H VAL A 10 9.823 -0.396 -1.323 1.00 0.00 H new ATOM 0 HA VAL A 10 7.411 0.379 -0.139 1.00 0.00 H new ATOM 0 HB VAL A 10 8.913 2.118 0.991 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.201 0.452 2.246 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.523 -0.075 1.973 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.843 -0.764 0.997 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.337 1.906 0.593 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.015 0.756 -0.727 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.475 2.446 -0.867 1.00 0.00 H new ATOM 134 N VAL A 11 8.654 2.420 -2.398 1.00 0.00 N ATOM 135 CA VAL A 11 8.377 3.599 -3.209 1.00 0.00 C ATOM 136 C VAL A 11 7.059 3.460 -3.961 1.00 0.00 C ATOM 137 O VAL A 11 6.255 4.393 -4.009 1.00 0.00 O ATOM 138 CB VAL A 11 9.520 3.870 -4.213 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.870 3.730 -3.528 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.436 2.934 -5.413 1.00 0.00 C ATOM 0 H VAL A 11 9.487 1.903 -2.677 1.00 0.00 H new ATOM 0 HA VAL A 11 8.301 4.444 -2.525 1.00 0.00 H new ATOM 0 HB VAL A 11 9.412 4.892 -4.576 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.665 3.924 -4.248 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.939 4.447 -2.710 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.975 2.719 -3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.254 3.150 -6.101 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.510 1.901 -5.074 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.484 3.081 -5.923 1.00 0.00 H new ATOM 150 N GLN A 12 6.843 2.290 -4.545 1.00 0.00 N ATOM 151 CA GLN A 12 5.625 2.031 -5.293 1.00 0.00 C ATOM 152 C GLN A 12 4.452 1.851 -4.348 1.00 0.00 C ATOM 153 O GLN A 12 3.363 2.373 -4.586 1.00 0.00 O ATOM 154 CB GLN A 12 5.788 0.787 -6.168 1.00 0.00 C ATOM 155 CG GLN A 12 6.520 1.056 -7.474 1.00 0.00 C ATOM 156 CD GLN A 12 6.840 -0.215 -8.237 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.127 -0.501 -8.397 1.00 0.00 O flip ATOM 158 NE2 GLN A 12 5.940 -0.932 -8.678 1.00 0.00 N flip ATOM 0 H GLN A 12 7.496 1.507 -4.514 1.00 0.00 H new ATOM 0 HA GLN A 12 5.429 2.889 -5.937 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.330 0.026 -5.607 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.803 0.377 -6.391 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.910 1.707 -8.100 1.00 0.00 H new ATOM 0 HG3 GLN A 12 7.446 1.592 -7.263 1.00 0.00 H new ATOM 0 HE21 GLN A 12 4.964 -0.674 -8.532 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.171 -1.784 -9.189 1.00 0.00 H new ATOM 167 N LEU A 13 4.685 1.103 -3.279 1.00 0.00 N ATOM 168 CA LEU A 13 3.652 0.835 -2.295 1.00 0.00 C ATOM 169 C LEU A 13 3.060 2.122 -1.730 1.00 0.00 C ATOM 170 O LEU A 13 1.844 2.304 -1.732 1.00 0.00 O ATOM 171 CB LEU A 13 4.200 -0.044 -1.172 1.00 0.00 C ATOM 172 CG LEU A 13 3.815 -1.521 -1.277 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.923 -2.310 -1.954 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.515 -2.099 0.097 1.00 0.00 C ATOM 0 H LEU A 13 5.585 0.670 -3.073 1.00 0.00 H new ATOM 0 HA LEU A 13 2.847 0.300 -2.800 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.287 0.035 -1.163 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.844 0.344 -0.218 1.00 0.00 H new ATOM 0 HG LEU A 13 2.913 -1.597 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.634 -3.359 -2.021 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.091 -1.915 -2.956 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.840 -2.223 -1.371 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.244 -3.150 -0.002 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.398 -2.010 0.730 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.688 -1.552 0.549 1.00 0.00 H new ATOM 186 N LYS A 14 3.914 3.012 -1.244 1.00 0.00 N ATOM 187 CA LYS A 14 3.444 4.268 -0.676 1.00 0.00 C ATOM 188 C LYS A 14 2.962 5.227 -1.759 1.00 0.00 C ATOM 189 O LYS A 14 2.007 5.975 -1.551 1.00 0.00 O ATOM 190 CB LYS A 14 4.540 4.925 0.161 1.00 0.00 C ATOM 191 CG LYS A 14 5.865 5.078 -0.566 1.00 0.00 C ATOM 192 CD LYS A 14 6.235 6.536 -0.792 1.00 0.00 C ATOM 193 CE LYS A 14 6.091 7.367 0.475 1.00 0.00 C ATOM 194 NZ LYS A 14 6.961 8.575 0.451 1.00 0.00 N ATOM 0 H LYS A 14 4.927 2.890 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 14 2.597 4.038 -0.030 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.197 5.909 0.481 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.698 4.333 1.063 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.651 4.591 0.011 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.811 4.566 -1.527 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.263 6.597 -1.150 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.600 6.954 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.051 7.671 0.593 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.344 6.755 1.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.833 9.113 1.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.956 8.285 0.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 6.703 9.173 -0.360 1.00 0.00 H new ATOM 208 N ASP A 15 3.612 5.202 -2.919 1.00 0.00 N ATOM 209 CA ASP A 15 3.223 6.074 -4.021 1.00 0.00 C ATOM 210 C ASP A 15 1.812 5.732 -4.482 1.00 0.00 C ATOM 211 O ASP A 15 0.966 6.613 -4.671 1.00 0.00 O ATOM 212 CB ASP A 15 4.206 5.936 -5.185 1.00 0.00 C ATOM 213 CG ASP A 15 3.865 6.851 -6.344 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.603 6.336 -7.451 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.859 8.085 -6.144 1.00 0.00 O ATOM 0 H ASP A 15 4.405 4.592 -3.119 1.00 0.00 H new ATOM 0 HA ASP A 15 3.242 7.107 -3.673 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.213 6.160 -4.834 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.211 4.903 -5.531 1.00 0.00 H new ATOM 220 N LEU A 16 1.558 4.441 -4.640 1.00 0.00 N ATOM 221 CA LEU A 16 0.252 3.972 -5.056 1.00 0.00 C ATOM 222 C LEU A 16 -0.742 4.149 -3.917 1.00 0.00 C ATOM 223 O LEU A 16 -1.924 4.376 -4.148 1.00 0.00 O ATOM 224 CB LEU A 16 0.336 2.510 -5.532 1.00 0.00 C ATOM 225 CG LEU A 16 -0.216 1.438 -4.578 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.228 0.551 -5.287 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.915 0.593 -4.016 1.00 0.00 C ATOM 0 H LEU A 16 2.243 3.701 -4.485 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.100 4.564 -5.901 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.198 2.430 -6.479 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.382 2.278 -5.735 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.719 1.946 -3.755 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.604 -0.199 -4.592 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.057 1.160 -5.647 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.749 0.055 -6.131 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.506 -0.161 -3.343 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.443 0.102 -4.833 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.608 1.231 -3.468 1.00 0.00 H new ATOM 239 N LEU A 17 -0.251 4.045 -2.684 1.00 0.00 N ATOM 240 CA LEU A 17 -1.105 4.202 -1.513 1.00 0.00 C ATOM 241 C LEU A 17 -1.787 5.562 -1.526 1.00 0.00 C ATOM 242 O LEU A 17 -3.013 5.659 -1.482 1.00 0.00 O ATOM 243 CB LEU A 17 -0.272 4.085 -0.238 1.00 0.00 C ATOM 244 CG LEU A 17 -0.143 2.682 0.345 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.897 2.667 1.455 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.483 2.192 0.864 1.00 0.00 C ATOM 0 H LEU A 17 0.728 3.854 -2.472 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.861 3.417 -1.538 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.728 4.466 -0.444 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.710 4.734 0.520 1.00 0.00 H new ATOM 0 HG LEU A 17 0.183 2.007 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.979 1.660 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.862 2.976 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.596 3.355 2.245 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.369 1.189 1.276 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.840 2.866 1.643 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.203 2.169 0.046 1.00 0.00 H new ATOM 258 N THR A 18 -0.977 6.611 -1.604 1.00 0.00 N ATOM 259 CA THR A 18 -1.499 7.971 -1.634 1.00 0.00 C ATOM 260 C THR A 18 -2.331 8.184 -2.892 1.00 0.00 C ATOM 261 O THR A 18 -3.365 8.850 -2.858 1.00 0.00 O ATOM 262 CB THR A 18 -0.367 9.010 -1.550 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.730 10.206 -2.217 1.00 0.00 O ATOM 264 CG2 THR A 18 0.947 8.542 -2.138 1.00 0.00 C ATOM 0 H THR A 18 0.040 6.546 -1.647 1.00 0.00 H new ATOM 0 HA THR A 18 -2.136 8.109 -0.760 1.00 0.00 H new ATOM 0 HB THR A 18 -0.222 9.174 -0.482 1.00 0.00 H new ATOM 0 HG1 THR A 18 0.003 10.853 -2.150 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.692 9.332 -2.039 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.288 7.654 -1.606 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.809 8.303 -3.193 1.00 0.00 H new ATOM 272 N LYS A 19 -1.882 7.601 -3.999 1.00 0.00 N ATOM 273 CA LYS A 19 -2.603 7.719 -5.260 1.00 0.00 C ATOM 274 C LYS A 19 -3.869 6.858 -5.256 1.00 0.00 C ATOM 275 O LYS A 19 -4.713 6.979 -6.144 1.00 0.00 O ATOM 276 CB LYS A 19 -1.700 7.313 -6.426 1.00 0.00 C ATOM 277 CG LYS A 19 -0.551 8.277 -6.670 1.00 0.00 C ATOM 278 CD LYS A 19 0.549 7.633 -7.498 1.00 0.00 C ATOM 279 CE LYS A 19 0.040 7.204 -8.865 1.00 0.00 C ATOM 280 NZ LYS A 19 -0.539 5.833 -8.839 1.00 0.00 N ATOM 0 H LYS A 19 -1.028 7.046 -4.048 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.899 8.761 -5.381 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.295 6.320 -6.232 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.301 7.241 -7.332 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -0.922 9.165 -7.183 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.143 8.608 -5.715 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.373 8.336 -7.620 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.945 6.767 -6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.716 7.910 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 19 0.859 7.238 -9.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.206 5.300 -9.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.239 5.346 -7.970 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.577 5.894 -8.861 1.00 0.00 H new ATOM 351 N SER A 23 -3.115 6.318 2.657 1.00 0.00 N ATOM 352 CA SER A 23 -1.910 7.023 3.060 1.00 0.00 C ATOM 353 C SER A 23 -0.726 6.071 3.108 1.00 0.00 C ATOM 354 O SER A 23 -0.830 4.910 2.715 1.00 0.00 O ATOM 355 CB SER A 23 -2.092 7.688 4.421 1.00 0.00 C ATOM 356 OG SER A 23 -3.197 8.575 4.416 1.00 0.00 O ATOM 0 HA SER A 23 -1.715 7.798 2.319 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.239 6.924 5.185 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.186 8.233 4.686 1.00 0.00 H new ATOM 0 HG SER A 23 -3.866 8.260 3.773 1.00 0.00 H new ATOM 362 N VAL A 24 0.403 6.575 3.582 1.00 0.00 N ATOM 363 CA VAL A 24 1.613 5.777 3.671 1.00 0.00 C ATOM 364 C VAL A 24 2.239 5.847 5.061 1.00 0.00 C ATOM 365 O VAL A 24 3.273 5.229 5.309 1.00 0.00 O ATOM 366 CB VAL A 24 2.638 6.229 2.622 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.953 6.435 1.285 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.340 7.504 3.072 1.00 0.00 C ATOM 0 H VAL A 24 0.505 7.535 3.911 1.00 0.00 H new ATOM 0 HA VAL A 24 1.328 4.743 3.478 1.00 0.00 H new ATOM 0 HB VAL A 24 3.393 5.451 2.511 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.687 6.756 0.546 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.497 5.499 0.962 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.182 7.198 1.385 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.063 7.808 2.315 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.604 8.296 3.209 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.857 7.322 4.014 1.00 0.00 H new ATOM 378 N GLY A 25 1.613 6.592 5.967 1.00 0.00 N ATOM 379 CA GLY A 25 2.131 6.700 7.318 1.00 0.00 C ATOM 380 C GLY A 25 1.973 5.400 8.088 1.00 0.00 C ATOM 381 O GLY A 25 1.395 5.376 9.174 1.00 0.00 O ATOM 0 H GLY A 25 0.759 7.121 5.790 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.185 6.976 7.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.610 7.500 7.844 1.00 0.00 H new ATOM 385 N GLY A 26 2.491 4.319 7.514 1.00 0.00 N ATOM 386 CA GLY A 26 2.410 3.016 8.135 1.00 0.00 C ATOM 387 C GLY A 26 3.710 2.260 7.983 1.00 0.00 C ATOM 388 O GLY A 26 4.588 2.346 8.841 1.00 0.00 O ATOM 0 H GLY A 26 2.972 4.328 6.615 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.172 3.128 9.193 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.598 2.445 7.684 1.00 0.00 H new ATOM 392 N LEU A 27 3.832 1.530 6.878 1.00 0.00 N ATOM 393 CA LEU A 27 5.028 0.751 6.574 1.00 0.00 C ATOM 394 C LEU A 27 4.750 -0.204 5.424 1.00 0.00 C ATOM 395 O LEU A 27 3.597 -0.439 5.083 1.00 0.00 O ATOM 396 CB LEU A 27 5.483 -0.030 7.801 1.00 0.00 C ATOM 397 CG LEU A 27 6.914 0.259 8.255 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.911 -0.302 7.256 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.135 1.757 8.441 1.00 0.00 C ATOM 0 H LEU A 27 3.103 1.462 6.167 1.00 0.00 H new ATOM 0 HA LEU A 27 5.824 1.437 6.283 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.805 0.190 8.625 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.393 -1.095 7.589 1.00 0.00 H new ATOM 0 HG LEU A 27 7.070 -0.230 9.217 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.925 -0.088 7.594 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.776 -1.381 7.174 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.748 0.159 6.282 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.160 1.936 8.764 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.957 2.271 7.496 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.445 2.136 9.196 1.00 0.00 H new ATOM 411 N LYS A 28 5.803 -0.754 4.828 1.00 0.00 N ATOM 412 CA LYS A 28 5.639 -1.684 3.714 1.00 0.00 C ATOM 413 C LYS A 28 4.597 -2.748 4.046 1.00 0.00 C ATOM 414 O LYS A 28 3.589 -2.877 3.353 1.00 0.00 O ATOM 415 CB LYS A 28 6.973 -2.345 3.366 1.00 0.00 C ATOM 416 CG LYS A 28 7.154 -2.590 1.876 1.00 0.00 C ATOM 417 CD LYS A 28 8.538 -3.138 1.565 1.00 0.00 C ATOM 418 CE LYS A 28 8.602 -3.736 0.168 1.00 0.00 C ATOM 419 NZ LYS A 28 8.723 -5.220 0.204 1.00 0.00 N ATOM 0 H LYS A 28 6.771 -0.575 5.094 1.00 0.00 H new ATOM 0 HA LYS A 28 5.292 -1.118 2.849 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.787 -1.715 3.725 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.048 -3.295 3.895 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.397 -3.292 1.527 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.000 -1.658 1.332 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.275 -2.339 1.654 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.802 -3.899 2.300 1.00 0.00 H new ATOM 0 HE2 LYS A 28 7.706 -3.458 -0.387 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.453 -3.315 -0.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.764 -5.589 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 9.591 -5.485 0.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.899 -5.624 0.693 1.00 0.00 H new ATOM 433 N ASN A 29 4.830 -3.494 5.124 1.00 0.00 N ATOM 434 CA ASN A 29 3.894 -4.529 5.549 1.00 0.00 C ATOM 435 C ASN A 29 2.500 -3.935 5.699 1.00 0.00 C ATOM 436 O ASN A 29 1.511 -4.495 5.222 1.00 0.00 O ATOM 437 CB ASN A 29 4.347 -5.152 6.871 1.00 0.00 C ATOM 438 CG ASN A 29 4.592 -4.110 7.946 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.522 -3.310 7.851 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.756 -4.117 8.977 1.00 0.00 N ATOM 0 H ASN A 29 5.655 -3.401 5.716 1.00 0.00 H new ATOM 0 HA ASN A 29 3.869 -5.311 4.791 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.590 -5.856 7.216 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.261 -5.723 6.707 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.871 -3.441 9.732 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.998 -4.799 9.015 1.00 0.00 H new ATOM 447 N GLU A 30 2.439 -2.779 6.346 1.00 0.00 N ATOM 448 CA GLU A 30 1.181 -2.080 6.545 1.00 0.00 C ATOM 449 C GLU A 30 0.627 -1.609 5.209 1.00 0.00 C ATOM 450 O GLU A 30 -0.582 -1.511 5.026 1.00 0.00 O ATOM 451 CB GLU A 30 1.390 -0.885 7.475 1.00 0.00 C ATOM 452 CG GLU A 30 1.153 -1.208 8.941 1.00 0.00 C ATOM 453 CD GLU A 30 0.450 -0.086 9.679 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.793 -0.137 9.791 1.00 0.00 O ATOM 455 OE2 GLU A 30 1.141 0.845 10.145 1.00 0.00 O ATOM 0 H GLU A 30 3.251 -2.306 6.743 1.00 0.00 H new ATOM 0 HA GLU A 30 0.465 -2.764 7.001 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.407 -0.514 7.353 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.719 -0.080 7.176 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.557 -2.117 9.017 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.109 -1.412 9.423 1.00 0.00 H new ATOM 462 N TRP A 31 1.529 -1.322 4.281 1.00 0.00 N ATOM 463 CA TRP A 31 1.151 -0.851 2.960 1.00 0.00 C ATOM 464 C TRP A 31 0.523 -1.966 2.138 1.00 0.00 C ATOM 465 O TRP A 31 -0.540 -1.780 1.547 1.00 0.00 O ATOM 466 CB TRP A 31 2.374 -0.263 2.263 1.00 0.00 C ATOM 467 CG TRP A 31 2.852 0.994 2.921 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.214 1.681 3.915 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.057 1.717 2.646 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.939 2.787 4.264 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.076 2.829 3.508 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.121 1.537 1.760 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.112 3.753 3.511 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.153 2.460 1.764 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.142 3.554 2.635 1.00 0.00 C ATOM 0 H TRP A 31 2.535 -1.409 4.423 1.00 0.00 H new ATOM 0 HA TRP A 31 0.397 -0.070 3.062 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.178 -0.999 2.262 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.131 -0.055 1.221 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.273 1.392 4.361 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.674 3.470 4.974 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.139 0.694 1.085 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.104 4.599 4.182 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 6.981 2.333 1.082 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.963 4.255 2.615 1.00 0.00 H new ATOM 486 N VAL A 32 1.159 -3.130 2.120 1.00 0.00 N ATOM 487 CA VAL A 32 0.613 -4.259 1.383 1.00 0.00 C ATOM 488 C VAL A 32 -0.737 -4.639 1.973 1.00 0.00 C ATOM 489 O VAL A 32 -1.668 -4.988 1.251 1.00 0.00 O ATOM 490 CB VAL A 32 1.556 -5.481 1.404 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.828 -5.934 2.829 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.973 -6.620 0.576 1.00 0.00 C ATOM 0 H VAL A 32 2.040 -3.315 2.600 1.00 0.00 H new ATOM 0 HA VAL A 32 0.500 -3.955 0.342 1.00 0.00 H new ATOM 0 HB VAL A 32 2.506 -5.185 0.960 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.495 -6.796 2.816 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.296 -5.122 3.386 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.889 -6.209 3.309 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.651 -7.473 0.602 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.007 -6.912 0.988 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.843 -6.291 -0.455 1.00 0.00 H new ATOM 502 N GLN A 33 -0.846 -4.540 3.296 1.00 0.00 N ATOM 503 CA GLN A 33 -2.096 -4.846 3.975 1.00 0.00 C ATOM 504 C GLN A 33 -3.118 -3.752 3.688 1.00 0.00 C ATOM 505 O GLN A 33 -4.311 -4.017 3.551 1.00 0.00 O ATOM 506 CB GLN A 33 -1.868 -4.980 5.483 1.00 0.00 C ATOM 507 CG GLN A 33 -2.374 -6.293 6.060 1.00 0.00 C ATOM 508 CD GLN A 33 -1.804 -7.502 5.345 1.00 0.00 C ATOM 509 OE1 GLN A 33 -2.530 -8.438 5.010 1.00 0.00 O ATOM 510 NE2 GLN A 33 -0.498 -7.487 5.107 1.00 0.00 N ATOM 0 H GLN A 33 -0.087 -4.252 3.913 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.478 -5.796 3.602 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.802 -4.888 5.691 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.364 -4.154 5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -2.114 -6.345 7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -3.462 -6.318 5.997 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.065 -6.690 5.403 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.058 -8.273 4.628 1.00 0.00 H new ATOM 519 N ARG A 34 -2.627 -2.518 3.595 1.00 0.00 N ATOM 520 CA ARG A 34 -3.477 -1.367 3.318 1.00 0.00 C ATOM 521 C ARG A 34 -4.085 -1.470 1.927 1.00 0.00 C ATOM 522 O ARG A 34 -5.295 -1.323 1.745 1.00 0.00 O ATOM 523 CB ARG A 34 -2.666 -0.074 3.444 1.00 0.00 C ATOM 524 CG ARG A 34 -2.525 0.395 4.867 1.00 0.00 C ATOM 525 CD ARG A 34 -2.637 1.895 4.980 1.00 0.00 C ATOM 526 NE ARG A 34 -1.350 2.459 5.334 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.189 3.677 5.839 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.237 4.470 6.029 1.00 0.00 N ATOM 529 NH2 ARG A 34 0.021 4.108 6.158 1.00 0.00 N ATOM 0 H ARG A 34 -1.639 -2.291 3.708 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.287 -1.352 4.047 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.675 -0.231 3.019 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.145 0.708 2.855 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.294 -0.073 5.481 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.561 0.072 5.262 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -2.981 2.315 4.035 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.379 2.157 5.734 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.519 1.887 5.187 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.173 4.145 5.787 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.106 5.404 6.417 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.831 3.505 6.016 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.143 5.043 6.546 1.00 0.00 H new ATOM 543 N LEU A 35 -3.232 -1.731 0.947 1.00 0.00 N ATOM 544 CA LEU A 35 -3.660 -1.860 -0.432 1.00 0.00 C ATOM 545 C LEU A 35 -4.533 -3.097 -0.617 1.00 0.00 C ATOM 546 O LEU A 35 -5.637 -3.011 -1.156 1.00 0.00 O ATOM 547 CB LEU A 35 -2.432 -1.939 -1.328 1.00 0.00 C ATOM 548 CG LEU A 35 -1.447 -0.783 -1.172 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.097 -1.176 -1.731 1.00 0.00 C ATOM 550 CD2 LEU A 35 -1.961 0.469 -1.863 1.00 0.00 C ATOM 0 H LEU A 35 -2.230 -1.858 1.087 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.256 -0.989 -0.704 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.909 -2.873 -1.122 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.760 -1.980 -2.367 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.342 -0.562 -0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.600 -0.346 -1.616 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.281 -2.045 -1.192 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.198 -1.421 -2.788 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.240 1.277 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.098 0.268 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.915 0.762 -1.424 1.00 0.00 H new ATOM 562 N ILE A 36 -4.041 -4.244 -0.154 1.00 0.00 N ATOM 563 CA ILE A 36 -4.787 -5.493 -0.266 1.00 0.00 C ATOM 564 C ILE A 36 -6.194 -5.328 0.303 1.00 0.00 C ATOM 565 O ILE A 36 -7.168 -5.816 -0.272 1.00 0.00 O ATOM 566 CB ILE A 36 -4.076 -6.649 0.474 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.774 -7.032 -0.234 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.988 -7.865 0.583 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.936 -8.011 0.559 1.00 0.00 C ATOM 0 H ILE A 36 -3.132 -4.333 0.301 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.844 -5.740 -1.326 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.836 -6.302 1.479 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.009 -7.467 -1.205 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.190 -6.131 -0.421 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.466 -8.665 1.107 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.888 -7.596 1.135 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.263 -8.204 -0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.027 -8.244 0.005 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.672 -7.569 1.520 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.504 -8.926 0.724 1.00 0.00 H new ATOM 581 N LYS A 37 -6.291 -4.625 1.425 1.00 0.00 N ATOM 582 CA LYS A 37 -7.575 -4.384 2.064 1.00 0.00 C ATOM 583 C LYS A 37 -8.383 -3.396 1.243 1.00 0.00 C ATOM 584 O LYS A 37 -9.612 -3.458 1.208 1.00 0.00 O ATOM 585 CB LYS A 37 -7.378 -3.853 3.485 1.00 0.00 C ATOM 586 CG LYS A 37 -8.519 -4.199 4.428 1.00 0.00 C ATOM 587 CD LYS A 37 -8.369 -5.603 4.993 1.00 0.00 C ATOM 588 CE LYS A 37 -8.588 -5.627 6.497 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.795 -6.700 7.158 1.00 0.00 N ATOM 0 H LYS A 37 -5.494 -4.212 1.910 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.118 -5.327 2.122 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.449 -4.256 3.889 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -7.265 -2.770 3.447 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -8.548 -3.478 5.245 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -9.468 -4.119 3.898 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -9.084 -6.269 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -7.374 -5.984 4.763 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -8.313 -4.660 6.919 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -9.647 -5.777 6.707 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.973 -6.682 8.183 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -8.075 -7.625 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.782 -6.543 6.980 1.00 0.00 H new ATOM 603 N ASP A 38 -7.684 -2.483 0.577 1.00 0.00 N ATOM 604 CA ASP A 38 -8.341 -1.486 -0.247 1.00 0.00 C ATOM 605 C ASP A 38 -8.994 -2.141 -1.458 1.00 0.00 C ATOM 606 O ASP A 38 -10.104 -1.784 -1.850 1.00 0.00 O ATOM 607 CB ASP A 38 -7.342 -0.424 -0.701 1.00 0.00 C ATOM 608 CG ASP A 38 -8.018 0.884 -1.065 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.169 1.742 -0.171 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.394 1.049 -2.244 1.00 0.00 O ATOM 0 H ASP A 38 -6.666 -2.416 0.594 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.115 -1.005 0.351 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.617 -0.247 0.094 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.787 -0.795 -1.562 1.00 0.00 H new ATOM 615 N ASP A 39 -8.293 -3.108 -2.041 1.00 0.00 N ATOM 616 CA ASP A 39 -8.798 -3.825 -3.205 1.00 0.00 C ATOM 617 C ASP A 39 -9.810 -4.888 -2.789 1.00 0.00 C ATOM 618 O ASP A 39 -10.670 -5.281 -3.578 1.00 0.00 O ATOM 619 CB ASP A 39 -7.643 -4.475 -3.969 1.00 0.00 C ATOM 620 CG ASP A 39 -6.906 -3.486 -4.852 1.00 0.00 C ATOM 621 OD1 ASP A 39 -7.565 -2.590 -5.419 1.00 0.00 O ATOM 622 OD2 ASP A 39 -5.668 -3.608 -4.975 1.00 0.00 O ATOM 0 H ASP A 39 -7.372 -3.413 -1.725 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.297 -3.108 -3.857 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.943 -4.916 -3.259 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -8.029 -5.289 -4.583 1.00 0.00 H new ATOM 627 N GLU A 40 -9.705 -5.349 -1.545 1.00 0.00 N ATOM 628 CA GLU A 40 -10.616 -6.366 -1.029 1.00 0.00 C ATOM 629 C GLU A 40 -11.996 -5.779 -0.764 1.00 0.00 C ATOM 630 O GLU A 40 -12.989 -6.505 -0.717 1.00 0.00 O ATOM 631 CB GLU A 40 -10.059 -6.993 0.250 1.00 0.00 C ATOM 632 CG GLU A 40 -10.224 -8.502 0.310 1.00 0.00 C ATOM 633 CD GLU A 40 -9.757 -9.089 1.628 1.00 0.00 C ATOM 634 OE1 GLU A 40 -8.529 -9.205 1.824 1.00 0.00 O ATOM 635 OE2 GLU A 40 -10.620 -9.431 2.465 1.00 0.00 O ATOM 0 H GLU A 40 -9.000 -5.035 -0.878 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.711 -7.143 -1.788 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -9.000 -6.748 0.333 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.558 -6.547 1.110 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.273 -8.755 0.155 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.662 -8.958 -0.505 1.00 0.00 H new