USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 313 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 8 THR OG1 : rot 180:sc= 0.318 USER MOD Set 1.2: A 11 GLN : amide:sc= -2.13! C(o=-1.8!,f=-8.9!) USER MOD Single : A 4 TYR OH : rot -16:sc= 0.377 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 68:sc= 0.199 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= -0.133 K(o=-0.13,f=-1.2!) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.270 9.011 3.734 1.00 0.00 N ATOM 25 CA ASP A 3 -0.173 8.719 4.651 1.00 0.00 C ATOM 26 C ASP A 3 0.712 7.601 4.108 1.00 0.00 C ATOM 27 O ASP A 3 1.913 7.564 4.371 1.00 0.00 O ATOM 28 CB ASP A 3 -0.719 8.332 6.026 1.00 0.00 C ATOM 29 CG ASP A 3 -0.763 9.507 6.982 1.00 0.00 C ATOM 30 OD1 ASP A 3 -1.836 10.136 7.105 1.00 0.00 O ATOM 31 OD2 ASP A 3 0.277 9.801 7.610 1.00 0.00 O ATOM 0 HA ASP A 3 0.433 9.620 4.749 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.722 7.921 5.913 1.00 0.00 H new ATOM 0 HB3 ASP A 3 -0.098 7.544 6.452 1.00 0.00 H new ATOM 36 N TYR A 4 0.110 6.689 3.349 1.00 0.00 N ATOM 37 CA TYR A 4 0.844 5.569 2.770 1.00 0.00 C ATOM 38 C TYR A 4 2.019 6.059 1.930 1.00 0.00 C ATOM 39 O TYR A 4 3.144 5.582 2.079 1.00 0.00 O ATOM 40 CB TYR A 4 -0.087 4.711 1.911 1.00 0.00 C ATOM 41 CG TYR A 4 -1.273 4.158 2.670 1.00 0.00 C ATOM 42 CD1 TYR A 4 -2.561 4.597 2.398 1.00 0.00 C ATOM 43 CD2 TYR A 4 -1.102 3.197 3.658 1.00 0.00 C ATOM 44 CE1 TYR A 4 -3.648 4.093 3.089 1.00 0.00 C ATOM 45 CE2 TYR A 4 -2.183 2.688 4.353 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.453 3.140 4.064 1.00 0.00 C ATOM 47 OH TYR A 4 -4.531 2.637 4.755 1.00 0.00 O ATOM 0 H TYR A 4 -0.884 6.704 3.121 1.00 0.00 H new ATOM 0 HA TYR A 4 1.235 4.965 3.589 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.448 5.308 1.074 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.482 3.883 1.489 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -2.717 5.344 1.634 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -0.108 2.842 3.887 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.644 4.445 2.865 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -2.034 1.940 5.118 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.305 3.224 4.626 1.00 0.00 H new ATOM 57 N SER A 5 1.751 7.017 1.049 1.00 0.00 N ATOM 58 CA SER A 5 2.786 7.574 0.186 1.00 0.00 C ATOM 59 C SER A 5 3.920 8.179 1.010 1.00 0.00 C ATOM 60 O SER A 5 5.047 8.305 0.533 1.00 0.00 O ATOM 61 CB SER A 5 2.191 8.636 -0.739 1.00 0.00 C ATOM 62 OG SER A 5 1.630 9.704 0.005 1.00 0.00 O ATOM 0 H SER A 5 0.825 7.424 0.914 1.00 0.00 H new ATOM 0 HA SER A 5 3.194 6.762 -0.417 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.965 9.019 -1.404 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.424 8.186 -1.369 1.00 0.00 H new ATOM 0 HG SER A 5 1.258 10.371 -0.609 1.00 0.00 H new ATOM 68 N SER A 6 3.613 8.555 2.248 1.00 0.00 N ATOM 69 CA SER A 6 4.607 9.149 3.135 1.00 0.00 C ATOM 70 C SER A 6 5.528 8.083 3.726 1.00 0.00 C ATOM 71 O SER A 6 6.634 8.387 4.173 1.00 0.00 O ATOM 72 CB SER A 6 3.917 9.922 4.261 1.00 0.00 C ATOM 73 OG SER A 6 4.834 10.764 4.937 1.00 0.00 O ATOM 0 H SER A 6 2.684 8.459 2.659 1.00 0.00 H new ATOM 0 HA SER A 6 5.214 9.836 2.545 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.104 10.520 3.850 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.472 9.222 4.968 1.00 0.00 H new ATOM 0 HG SER A 6 4.369 11.248 5.651 1.00 0.00 H new ATOM 79 N LEU A 7 5.067 6.835 3.729 1.00 0.00 N ATOM 80 CA LEU A 7 5.858 5.734 4.269 1.00 0.00 C ATOM 81 C LEU A 7 6.866 5.232 3.241 1.00 0.00 C ATOM 82 O LEU A 7 6.696 5.436 2.039 1.00 0.00 O ATOM 83 CB LEU A 7 4.948 4.583 4.707 1.00 0.00 C ATOM 84 CG LEU A 7 3.644 5.007 5.385 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.695 3.825 5.502 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.927 5.604 6.755 1.00 0.00 C ATOM 0 H LEU A 7 4.154 6.562 3.365 1.00 0.00 H new ATOM 0 HA LEU A 7 6.402 6.108 5.137 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.705 3.980 3.832 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.503 3.942 5.392 1.00 0.00 H new ATOM 0 HG LEU A 7 3.167 5.770 4.769 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.773 4.145 5.987 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.468 3.441 4.508 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.163 3.040 6.096 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.989 5.900 7.224 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.426 4.863 7.379 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.570 6.478 6.646 1.00 0.00 H new ATOM 98 N THR A 8 7.913 4.573 3.723 1.00 0.00 N ATOM 99 CA THR A 8 8.950 4.037 2.849 1.00 0.00 C ATOM 100 C THR A 8 8.448 2.803 2.111 1.00 0.00 C ATOM 101 O THR A 8 7.377 2.278 2.419 1.00 0.00 O ATOM 102 CB THR A 8 10.195 3.676 3.661 1.00 0.00 C ATOM 103 OG1 THR A 8 10.011 2.441 4.333 1.00 0.00 O ATOM 104 CG2 THR A 8 10.559 4.715 4.701 1.00 0.00 C ATOM 0 H THR A 8 8.067 4.397 4.716 1.00 0.00 H new ATOM 0 HA THR A 8 9.207 4.805 2.119 1.00 0.00 H new ATOM 0 HB THR A 8 11.006 3.617 2.935 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.817 2.225 4.846 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.451 4.394 5.239 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.755 5.668 4.210 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.734 4.831 5.403 1.00 0.00 H new ATOM 112 N VAL A 9 9.231 2.335 1.146 1.00 0.00 N ATOM 113 CA VAL A 9 8.861 1.153 0.380 1.00 0.00 C ATOM 114 C VAL A 9 8.750 -0.058 1.297 1.00 0.00 C ATOM 115 O VAL A 9 7.824 -0.860 1.176 1.00 0.00 O ATOM 116 CB VAL A 9 9.885 0.857 -0.734 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.434 -0.328 -1.577 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.097 2.086 -1.604 1.00 0.00 C ATOM 0 H VAL A 9 10.121 2.754 0.877 1.00 0.00 H new ATOM 0 HA VAL A 9 7.895 1.353 -0.083 1.00 0.00 H new ATOM 0 HB VAL A 9 10.836 0.600 -0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.170 -0.521 -2.357 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.338 -1.210 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.471 -0.103 -2.035 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.823 1.858 -2.385 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.151 2.376 -2.061 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.469 2.906 -0.990 1.00 0.00 H new ATOM 128 N VAL A 10 9.694 -0.175 2.225 1.00 0.00 N ATOM 129 CA VAL A 10 9.695 -1.278 3.176 1.00 0.00 C ATOM 130 C VAL A 10 8.479 -1.194 4.088 1.00 0.00 C ATOM 131 O VAL A 10 7.854 -2.207 4.405 1.00 0.00 O ATOM 132 CB VAL A 10 10.973 -1.282 4.035 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.043 -2.546 4.881 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.207 -1.148 3.158 1.00 0.00 C ATOM 0 H VAL A 10 10.467 0.481 2.338 1.00 0.00 H new ATOM 0 HA VAL A 10 9.660 -2.203 2.600 1.00 0.00 H new ATOM 0 HB VAL A 10 10.941 -0.424 4.707 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.953 -2.532 5.482 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.175 -2.592 5.538 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.052 -3.420 4.230 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.100 -1.153 3.783 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.249 -1.983 2.459 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.158 -0.212 2.602 1.00 0.00 H new ATOM 144 N GLN A 11 8.139 0.026 4.497 1.00 0.00 N ATOM 145 CA GLN A 11 6.989 0.246 5.364 1.00 0.00 C ATOM 146 C GLN A 11 5.700 -0.089 4.623 1.00 0.00 C ATOM 147 O GLN A 11 4.838 -0.796 5.143 1.00 0.00 O ATOM 148 CB GLN A 11 6.955 1.697 5.846 1.00 0.00 C ATOM 149 CG GLN A 11 7.747 1.933 7.121 1.00 0.00 C ATOM 150 CD GLN A 11 7.919 3.406 7.436 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.288 4.199 6.569 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.654 3.780 8.682 1.00 0.00 N ATOM 0 H GLN A 11 8.644 0.875 4.241 1.00 0.00 H new ATOM 0 HA GLN A 11 7.078 -0.408 6.231 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.348 2.342 5.060 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.919 1.992 6.012 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.242 1.444 7.954 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.728 1.468 7.026 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.351 3.089 9.368 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.754 4.758 8.953 1.00 0.00 H new ATOM 161 N LEU A 12 5.583 0.419 3.401 1.00 0.00 N ATOM 162 CA LEU A 12 4.407 0.169 2.579 1.00 0.00 C ATOM 163 C LEU A 12 4.276 -1.318 2.272 1.00 0.00 C ATOM 164 O LEU A 12 3.173 -1.861 2.232 1.00 0.00 O ATOM 165 CB LEU A 12 4.493 0.966 1.277 1.00 0.00 C ATOM 166 CG LEU A 12 3.970 2.399 1.362 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.723 3.300 0.394 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.476 2.440 1.080 1.00 0.00 C ATOM 0 H LEU A 12 6.289 1.007 2.958 1.00 0.00 H new ATOM 0 HA LEU A 12 3.525 0.490 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.533 0.993 0.953 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.933 0.436 0.506 1.00 0.00 H new ATOM 0 HG LEU A 12 4.138 2.767 2.374 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.337 4.317 0.468 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.784 3.295 0.643 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.588 2.934 -0.624 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.122 3.469 1.145 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.284 2.053 0.079 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.950 1.828 1.813 1.00 0.00 H new ATOM 180 N LYS A 13 5.415 -1.969 2.059 1.00 0.00 N ATOM 181 CA LYS A 13 5.435 -3.395 1.758 1.00 0.00 C ATOM 182 C LYS A 13 4.971 -4.208 2.962 1.00 0.00 C ATOM 183 O LYS A 13 4.287 -5.220 2.815 1.00 0.00 O ATOM 184 CB LYS A 13 6.841 -3.832 1.341 1.00 0.00 C ATOM 185 CG LYS A 13 7.037 -3.895 -0.165 1.00 0.00 C ATOM 186 CD LYS A 13 8.224 -4.769 -0.536 1.00 0.00 C ATOM 187 CE LYS A 13 9.474 -3.939 -0.777 1.00 0.00 C ATOM 188 NZ LYS A 13 10.690 -4.788 -0.904 1.00 0.00 N ATOM 0 H LYS A 13 6.336 -1.531 2.089 1.00 0.00 H new ATOM 0 HA LYS A 13 4.748 -3.577 0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.568 -3.140 1.765 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.049 -4.813 1.767 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.135 -4.287 -0.634 1.00 0.00 H new ATOM 0 HG3 LYS A 13 7.188 -2.889 -0.556 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.411 -5.487 0.262 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.989 -5.343 -1.432 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.348 -3.348 -1.684 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.607 -3.236 0.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.520 -4.183 -1.068 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.826 -5.333 -0.029 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.575 -5.442 -1.705 1.00 0.00 H new ATOM 202 N ASP A 14 5.344 -3.753 4.155 1.00 0.00 N ATOM 203 CA ASP A 14 4.961 -4.436 5.385 1.00 0.00 C ATOM 204 C ASP A 14 3.454 -4.359 5.590 1.00 0.00 C ATOM 205 O ASP A 14 2.801 -5.363 5.878 1.00 0.00 O ATOM 206 CB ASP A 14 5.686 -3.819 6.583 1.00 0.00 C ATOM 207 CG ASP A 14 5.825 -4.792 7.737 1.00 0.00 C ATOM 208 OD1 ASP A 14 4.826 -5.010 8.454 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.934 -5.337 7.923 1.00 0.00 O ATOM 0 H ASP A 14 5.910 -2.916 4.295 1.00 0.00 H new ATOM 0 HA ASP A 14 5.249 -5.484 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.676 -3.484 6.272 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.142 -2.936 6.919 1.00 0.00 H new ATOM 214 N LEU A 15 2.905 -3.159 5.432 1.00 0.00 N ATOM 215 CA LEU A 15 1.472 -2.948 5.593 1.00 0.00 C ATOM 216 C LEU A 15 0.694 -3.766 4.571 1.00 0.00 C ATOM 217 O LEU A 15 -0.358 -4.328 4.878 1.00 0.00 O ATOM 218 CB LEU A 15 1.134 -1.463 5.445 1.00 0.00 C ATOM 219 CG LEU A 15 1.182 -0.656 6.743 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.939 0.819 6.462 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.160 -1.186 7.737 1.00 0.00 C ATOM 0 H LEU A 15 3.431 -2.318 5.193 1.00 0.00 H new ATOM 0 HA LEU A 15 1.186 -3.276 6.592 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.828 -1.017 4.732 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.136 -1.374 5.016 1.00 0.00 H new ATOM 0 HG LEU A 15 2.175 -0.764 7.180 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.977 1.378 7.397 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.707 1.192 5.785 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.041 0.945 6.003 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.208 -0.600 8.655 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.839 -1.108 7.308 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.378 -2.230 7.961 1.00 0.00 H new ATOM 233 N LEU A 16 1.225 -3.835 3.355 1.00 0.00 N ATOM 234 CA LEU A 16 0.589 -4.590 2.287 1.00 0.00 C ATOM 235 C LEU A 16 0.565 -6.076 2.625 1.00 0.00 C ATOM 236 O LEU A 16 -0.451 -6.747 2.450 1.00 0.00 O ATOM 237 CB LEU A 16 1.329 -4.362 0.968 1.00 0.00 C ATOM 238 CG LEU A 16 0.990 -3.051 0.255 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.246 -2.412 -0.322 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.040 -3.292 -0.840 1.00 0.00 C ATOM 0 H LEU A 16 2.095 -3.376 3.086 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.438 -4.242 2.181 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.401 -4.386 1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.107 -5.191 0.296 1.00 0.00 H new ATOM 0 HG LEU A 16 0.563 -2.364 0.985 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.983 -1.481 -0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.951 -2.203 0.483 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.705 -3.094 -1.038 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.270 -2.350 -1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.361 -3.998 -1.568 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.949 -3.702 -0.400 1.00 0.00 H new ATOM 252 N THR A 17 1.687 -6.582 3.126 1.00 0.00 N ATOM 253 CA THR A 17 1.782 -7.988 3.500 1.00 0.00 C ATOM 254 C THR A 17 0.734 -8.321 4.554 1.00 0.00 C ATOM 255 O THR A 17 0.066 -9.352 4.479 1.00 0.00 O ATOM 256 CB THR A 17 3.183 -8.308 4.026 1.00 0.00 C ATOM 257 OG1 THR A 17 3.831 -7.132 4.476 1.00 0.00 O ATOM 258 CG2 THR A 17 4.076 -8.957 2.992 1.00 0.00 C ATOM 0 H THR A 17 2.539 -6.043 3.282 1.00 0.00 H new ATOM 0 HA THR A 17 1.598 -8.597 2.615 1.00 0.00 H new ATOM 0 HB THR A 17 3.030 -9.012 4.844 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.375 -6.793 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.054 -9.157 3.430 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.628 -9.894 2.661 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.191 -8.288 2.139 1.00 0.00 H new ATOM 266 N LYS A 18 0.588 -7.430 5.526 1.00 0.00 N ATOM 267 CA LYS A 18 -0.388 -7.612 6.591 1.00 0.00 C ATOM 268 C LYS A 18 -1.807 -7.496 6.040 1.00 0.00 C ATOM 269 O LYS A 18 -2.739 -8.104 6.564 1.00 0.00 O ATOM 270 CB LYS A 18 -0.168 -6.580 7.699 1.00 0.00 C ATOM 271 CG LYS A 18 0.699 -7.088 8.839 1.00 0.00 C ATOM 272 CD LYS A 18 0.775 -6.079 9.974 1.00 0.00 C ATOM 273 CE LYS A 18 0.705 -6.759 11.332 1.00 0.00 C ATOM 274 NZ LYS A 18 1.963 -7.487 11.654 1.00 0.00 N ATOM 0 H LYS A 18 1.135 -6.572 5.598 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.257 -8.609 7.011 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.295 -5.691 7.270 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.136 -6.275 8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 18 0.295 -8.029 9.213 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.703 -7.297 8.469 1.00 0.00 H new ATOM 0 HD2 LYS A 18 1.703 -5.513 9.897 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -0.043 -5.364 9.882 1.00 0.00 H new ATOM 0 HE2 LYS A 18 0.510 -6.013 12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.132 -7.457 11.346 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.875 -7.937 12.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 2.136 -8.217 10.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.758 -6.817 11.666 1.00 0.00 H new ATOM 288 N ARG A 19 -1.961 -6.705 4.980 1.00 0.00 N ATOM 289 CA ARG A 19 -3.265 -6.504 4.357 1.00 0.00 C ATOM 290 C ARG A 19 -3.511 -7.513 3.234 1.00 0.00 C ATOM 291 O ARG A 19 -4.594 -7.548 2.650 1.00 0.00 O ATOM 292 CB ARG A 19 -3.368 -5.077 3.810 1.00 0.00 C ATOM 293 CG ARG A 19 -4.244 -4.165 4.652 1.00 0.00 C ATOM 294 CD ARG A 19 -4.744 -2.975 3.847 1.00 0.00 C ATOM 295 NE ARG A 19 -4.733 -1.741 4.630 1.00 0.00 N ATOM 296 CZ ARG A 19 -5.669 -1.421 5.522 1.00 0.00 C ATOM 297 NH1 ARG A 19 -6.688 -2.239 5.748 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.582 -0.278 6.190 1.00 0.00 N ATOM 0 H ARG A 19 -1.199 -6.194 4.536 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.029 -6.658 5.119 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.368 -4.648 3.746 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.765 -5.113 2.796 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.094 -4.729 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.679 -3.811 5.515 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -4.121 -2.848 2.962 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -5.757 -3.174 3.498 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.964 -1.087 4.485 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -6.758 -3.119 5.237 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -7.401 -1.988 6.432 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.799 0.354 6.020 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -6.298 -0.031 6.874 1.00 0.00 H new ATOM 312 N ASN A 20 -2.504 -8.332 2.934 1.00 0.00 N ATOM 313 CA ASN A 20 -2.621 -9.336 1.881 1.00 0.00 C ATOM 314 C ASN A 20 -2.827 -8.677 0.521 1.00 0.00 C ATOM 315 O ASN A 20 -3.665 -9.110 -0.270 1.00 0.00 O ATOM 316 CB ASN A 20 -3.776 -10.294 2.182 1.00 0.00 C ATOM 317 CG ASN A 20 -3.343 -11.472 3.031 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.624 -12.357 2.565 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.779 -11.491 4.286 1.00 0.00 N ATOM 0 H ASN A 20 -1.600 -8.319 3.405 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.691 -9.904 1.851 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.570 -9.752 2.696 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.195 -10.660 1.245 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.520 -12.260 4.904 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.373 -10.737 4.631 1.00 0.00 H new ATOM 326 N LEU A 21 -2.055 -7.629 0.255 1.00 0.00 N ATOM 327 CA LEU A 21 -2.150 -6.908 -1.009 1.00 0.00 C ATOM 328 C LEU A 21 -0.935 -7.189 -1.888 1.00 0.00 C ATOM 329 O LEU A 21 0.065 -7.736 -1.423 1.00 0.00 O ATOM 330 CB LEU A 21 -2.276 -5.406 -0.754 1.00 0.00 C ATOM 331 CG LEU A 21 -3.635 -4.951 -0.221 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.633 -3.453 0.042 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.741 -5.322 -1.198 1.00 0.00 C ATOM 0 H LEU A 21 -1.356 -7.259 0.899 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.041 -7.256 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.506 -5.108 -0.043 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.072 -4.877 -1.685 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.823 -5.463 0.723 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.609 -3.149 0.421 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.867 -3.214 0.780 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.422 -2.921 -0.886 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.701 -4.991 -0.803 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.557 -4.838 -2.157 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.758 -6.403 -1.335 1.00 0.00 H new ATOM 345 N SER A 22 -1.028 -6.810 -3.159 1.00 0.00 N ATOM 346 CA SER A 22 0.064 -7.022 -4.101 1.00 0.00 C ATOM 347 C SER A 22 1.157 -5.974 -3.914 1.00 0.00 C ATOM 348 O SER A 22 0.910 -4.775 -4.038 1.00 0.00 O ATOM 349 CB SER A 22 -0.459 -6.978 -5.538 1.00 0.00 C ATOM 350 OG SER A 22 -0.805 -8.272 -5.996 1.00 0.00 O ATOM 0 H SER A 22 -1.848 -6.355 -3.559 1.00 0.00 H new ATOM 0 HA SER A 22 0.492 -8.005 -3.906 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.330 -6.325 -5.591 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.301 -6.549 -6.191 1.00 0.00 H new ATOM 0 HG SER A 22 -1.138 -8.215 -6.916 1.00 0.00 H new ATOM 356 N VAL A 23 2.368 -6.437 -3.616 1.00 0.00 N ATOM 357 CA VAL A 23 3.500 -5.540 -3.412 1.00 0.00 C ATOM 358 C VAL A 23 4.464 -5.582 -4.595 1.00 0.00 C ATOM 359 O VAL A 23 5.623 -5.185 -4.474 1.00 0.00 O ATOM 360 CB VAL A 23 4.271 -5.892 -2.127 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.463 -5.508 -0.896 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.620 -7.372 -2.102 1.00 0.00 C ATOM 0 H VAL A 23 2.590 -7.427 -3.511 1.00 0.00 H new ATOM 0 HA VAL A 23 3.089 -4.535 -3.320 1.00 0.00 H new ATOM 0 HB VAL A 23 5.200 -5.322 -2.116 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.024 -5.765 0.002 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.268 -4.436 -0.908 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.516 -6.048 -0.899 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.165 -7.602 -1.186 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.704 -7.962 -2.138 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.241 -7.614 -2.964 1.00 0.00 H new ATOM 372 N GLY A 24 3.982 -6.065 -5.737 1.00 0.00 N ATOM 373 CA GLY A 24 4.821 -6.147 -6.919 1.00 0.00 C ATOM 374 C GLY A 24 4.893 -4.835 -7.674 1.00 0.00 C ATOM 375 O GLY A 24 5.898 -4.537 -8.321 1.00 0.00 O ATOM 0 H GLY A 24 3.027 -6.400 -5.864 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.827 -6.449 -6.626 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.435 -6.922 -7.581 1.00 0.00 H new ATOM 379 N GLY A 25 3.825 -4.048 -7.594 1.00 0.00 N ATOM 380 CA GLY A 25 3.792 -2.770 -8.283 1.00 0.00 C ATOM 381 C GLY A 25 4.730 -1.753 -7.664 1.00 0.00 C ATOM 382 O GLY A 25 5.293 -1.986 -6.596 1.00 0.00 O ATOM 0 H GLY A 25 2.982 -4.272 -7.065 1.00 0.00 H new ATOM 0 HA2 GLY A 25 4.060 -2.918 -9.329 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.775 -2.378 -8.267 1.00 0.00 H new ATOM 386 N LEU A 26 4.899 -0.620 -8.339 1.00 0.00 N ATOM 387 CA LEU A 26 5.775 0.438 -7.851 1.00 0.00 C ATOM 388 C LEU A 26 5.203 1.075 -6.589 1.00 0.00 C ATOM 389 O LEU A 26 4.052 0.834 -6.229 1.00 0.00 O ATOM 390 CB LEU A 26 5.971 1.505 -8.930 1.00 0.00 C ATOM 391 CG LEU A 26 6.872 1.091 -10.095 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.462 1.813 -11.369 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.330 1.371 -9.766 1.00 0.00 C ATOM 0 H LEU A 26 4.440 -0.412 -9.226 1.00 0.00 H new ATOM 0 HA LEU A 26 6.741 -0.005 -7.609 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.994 1.782 -9.327 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.391 2.397 -8.465 1.00 0.00 H new ATOM 0 HG LEU A 26 6.756 0.019 -10.257 1.00 0.00 H new ATOM 0 HD11 LEU A 26 7.114 1.506 -12.187 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.430 1.562 -11.614 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.548 2.889 -11.221 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.957 1.070 -10.606 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.462 2.436 -9.578 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.618 0.807 -8.879 1.00 0.00 H new ATOM 405 N LYS A 27 6.016 1.890 -5.920 1.00 0.00 N ATOM 406 CA LYS A 27 5.592 2.563 -4.695 1.00 0.00 C ATOM 407 C LYS A 27 4.224 3.218 -4.871 1.00 0.00 C ATOM 408 O LYS A 27 3.348 3.088 -4.016 1.00 0.00 O ATOM 409 CB LYS A 27 6.624 3.617 -4.285 1.00 0.00 C ATOM 410 CG LYS A 27 6.549 4.003 -2.816 1.00 0.00 C ATOM 411 CD LYS A 27 7.718 4.887 -2.414 1.00 0.00 C ATOM 412 CE LYS A 27 7.395 5.707 -1.175 1.00 0.00 C ATOM 413 NZ LYS A 27 8.608 6.358 -0.608 1.00 0.00 N ATOM 0 H LYS A 27 6.972 2.100 -6.206 1.00 0.00 H new ATOM 0 HA LYS A 27 5.514 1.811 -3.910 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.623 3.239 -4.502 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.481 4.509 -4.894 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.612 4.526 -2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.544 3.103 -2.202 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.595 4.268 -2.224 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.971 5.554 -3.238 1.00 0.00 H new ATOM 0 HE2 LYS A 27 6.658 6.469 -1.426 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.943 5.063 -0.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 8.345 6.907 0.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 9.302 5.630 -0.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.026 6.993 -1.318 1.00 0.00 H new ATOM 427 N ASN A 28 4.048 3.916 -5.987 1.00 0.00 N ATOM 428 CA ASN A 28 2.786 4.585 -6.278 1.00 0.00 C ATOM 429 C ASN A 28 1.649 3.573 -6.367 1.00 0.00 C ATOM 430 O ASN A 28 0.513 3.863 -5.989 1.00 0.00 O ATOM 431 CB ASN A 28 2.890 5.373 -7.585 1.00 0.00 C ATOM 432 CG ASN A 28 1.853 6.475 -7.679 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.113 7.622 -7.315 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.667 6.131 -8.169 1.00 0.00 N ATOM 0 H ASN A 28 4.763 4.033 -6.705 1.00 0.00 H new ATOM 0 HA ASN A 28 2.572 5.278 -5.464 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.886 5.807 -7.666 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.770 4.692 -8.427 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.071 6.830 -8.255 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.495 5.168 -8.459 1.00 0.00 H new ATOM 441 N GLU A 29 1.965 2.381 -6.865 1.00 0.00 N ATOM 442 CA GLU A 29 0.974 1.322 -6.998 1.00 0.00 C ATOM 443 C GLU A 29 0.576 0.799 -5.624 1.00 0.00 C ATOM 444 O GLU A 29 -0.582 0.452 -5.389 1.00 0.00 O ATOM 445 CB GLU A 29 1.525 0.182 -7.856 1.00 0.00 C ATOM 446 CG GLU A 29 1.084 0.248 -9.310 1.00 0.00 C ATOM 447 CD GLU A 29 -0.013 -0.748 -9.632 1.00 0.00 C ATOM 448 OE1 GLU A 29 -1.058 -0.327 -10.172 1.00 0.00 O ATOM 449 OE2 GLU A 29 0.172 -1.949 -9.343 1.00 0.00 O ATOM 0 H GLU A 29 2.900 2.126 -7.183 1.00 0.00 H new ATOM 0 HA GLU A 29 0.091 1.732 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.614 0.200 -7.814 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.205 -0.769 -7.431 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.732 1.255 -9.534 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.942 0.059 -9.955 1.00 0.00 H new ATOM 456 N LEU A 30 1.547 0.751 -4.722 1.00 0.00 N ATOM 457 CA LEU A 30 1.310 0.280 -3.366 1.00 0.00 C ATOM 458 C LEU A 30 0.371 1.225 -2.626 1.00 0.00 C ATOM 459 O LEU A 30 -0.568 0.789 -1.960 1.00 0.00 O ATOM 460 CB LEU A 30 2.634 0.161 -2.610 1.00 0.00 C ATOM 461 CG LEU A 30 3.728 -0.628 -3.333 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.023 -0.593 -2.538 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.283 -2.065 -3.567 1.00 0.00 C ATOM 0 H LEU A 30 2.509 1.034 -4.907 1.00 0.00 H new ATOM 0 HA LEU A 30 0.842 -0.703 -3.420 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.008 1.164 -2.404 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.443 -0.312 -1.647 1.00 0.00 H new ATOM 0 HG LEU A 30 3.907 -0.162 -4.302 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.790 -1.159 -3.067 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.350 0.440 -2.421 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.859 -1.035 -1.555 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.073 -2.611 -4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.077 -2.543 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.380 -2.071 -4.178 1.00 0.00 H new ATOM 475 N VAL A 31 0.630 2.523 -2.750 1.00 0.00 N ATOM 476 CA VAL A 31 -0.195 3.530 -2.096 1.00 0.00 C ATOM 477 C VAL A 31 -1.617 3.499 -2.639 1.00 0.00 C ATOM 478 O VAL A 31 -2.585 3.524 -1.879 1.00 0.00 O ATOM 479 CB VAL A 31 0.386 4.945 -2.282 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.418 5.965 -1.489 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.852 4.979 -1.875 1.00 0.00 C ATOM 0 H VAL A 31 1.404 2.901 -3.297 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.206 3.293 -1.032 1.00 0.00 H new ATOM 0 HB VAL A 31 0.319 5.207 -3.338 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.009 6.957 -1.634 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.452 5.961 -1.834 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.388 5.708 -0.430 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.245 5.986 -2.013 1.00 0.00 H new ATOM 0 HG22 VAL A 31 1.945 4.694 -0.827 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.417 4.281 -2.493 1.00 0.00 H new ATOM 491 N GLN A 32 -1.734 3.438 -3.959 1.00 0.00 N ATOM 492 CA GLN A 32 -3.037 3.396 -4.610 1.00 0.00 C ATOM 493 C GLN A 32 -3.791 2.128 -4.222 1.00 0.00 C ATOM 494 O GLN A 32 -5.015 2.139 -4.089 1.00 0.00 O ATOM 495 CB GLN A 32 -2.876 3.464 -6.131 1.00 0.00 C ATOM 496 CG GLN A 32 -3.005 4.870 -6.694 1.00 0.00 C ATOM 497 CD GLN A 32 -3.533 4.882 -8.114 1.00 0.00 C ATOM 498 OE1 GLN A 32 -4.375 4.063 -8.483 1.00 0.00 O ATOM 499 NE2 GLN A 32 -3.041 5.815 -8.922 1.00 0.00 N ATOM 0 H GLN A 32 -0.941 3.416 -4.601 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.612 4.260 -4.277 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.901 3.061 -6.403 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.626 2.825 -6.596 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.671 5.453 -6.058 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.031 5.359 -6.668 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -2.344 6.474 -8.575 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -3.360 5.872 -9.889 1.00 0.00 H new ATOM 508 N ARG A 33 -3.052 1.039 -4.035 1.00 0.00 N ATOM 509 CA ARG A 33 -3.658 -0.231 -3.656 1.00 0.00 C ATOM 510 C ARG A 33 -4.273 -0.134 -2.266 1.00 0.00 C ATOM 511 O ARG A 33 -5.405 -0.563 -2.044 1.00 0.00 O ATOM 512 CB ARG A 33 -2.615 -1.351 -3.691 1.00 0.00 C ATOM 513 CG ARG A 33 -3.219 -2.740 -3.824 1.00 0.00 C ATOM 514 CD ARG A 33 -3.152 -3.241 -5.258 1.00 0.00 C ATOM 515 NE ARG A 33 -1.788 -3.574 -5.659 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.478 -4.175 -6.806 1.00 0.00 C ATOM 517 NH1 ARG A 33 -2.431 -4.510 -7.666 1.00 0.00 N ATOM 518 NH2 ARG A 33 -0.211 -4.441 -7.093 1.00 0.00 N ATOM 0 H ARG A 33 -2.038 1.011 -4.139 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.446 -0.462 -4.372 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.936 -1.178 -4.526 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.018 -1.309 -2.780 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.689 -3.433 -3.170 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.257 -2.720 -3.492 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -3.786 -4.121 -5.364 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -3.550 -2.478 -5.927 1.00 0.00 H new ATOM 0 HE ARG A 33 -1.028 -3.332 -5.023 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.407 -4.307 -7.450 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.188 -4.970 -8.543 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.525 -4.185 -6.435 1.00 0.00 H new ATOM 0 HH22 ARG A 33 0.027 -4.901 -7.971 1.00 0.00 H new ATOM 532 N LEU A 34 -3.524 0.452 -1.335 1.00 0.00 N ATOM 533 CA LEU A 34 -4.006 0.626 0.029 1.00 0.00 C ATOM 534 C LEU A 34 -5.159 1.620 0.053 1.00 0.00 C ATOM 535 O LEU A 34 -6.109 1.474 0.820 1.00 0.00 O ATOM 536 CB LEU A 34 -2.874 1.112 0.936 1.00 0.00 C ATOM 537 CG LEU A 34 -1.822 0.056 1.282 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.445 0.693 1.401 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.192 -0.660 2.572 1.00 0.00 C ATOM 0 H LEU A 34 -2.584 0.813 -1.501 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.360 -0.336 0.399 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.377 1.953 0.452 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.308 1.488 1.863 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.792 -0.678 0.477 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.290 -0.073 1.647 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.178 1.161 0.454 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.460 1.448 2.187 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.433 -1.408 2.804 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.249 0.063 3.386 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.159 -1.149 2.452 1.00 0.00 H new ATOM 551 N ILE A 35 -5.064 2.629 -0.807 1.00 0.00 N ATOM 552 CA ILE A 35 -6.089 3.657 -0.909 1.00 0.00 C ATOM 553 C ILE A 35 -7.397 3.067 -1.432 1.00 0.00 C ATOM 554 O ILE A 35 -8.477 3.384 -0.934 1.00 0.00 O ATOM 555 CB ILE A 35 -5.626 4.807 -1.833 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.528 5.623 -1.150 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.792 5.705 -2.224 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.763 6.521 -2.097 1.00 0.00 C ATOM 0 H ILE A 35 -4.280 2.755 -1.447 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.258 4.058 0.090 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.224 4.367 -2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.975 6.233 -0.365 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.829 4.942 -0.664 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.434 6.504 -2.874 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.543 5.117 -2.752 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.235 6.138 -1.327 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -3.001 7.069 -1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.286 5.915 -2.868 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.450 7.227 -2.564 1.00 0.00 H new ATOM 570 N LYS A 36 -7.291 2.205 -2.440 1.00 0.00 N ATOM 571 CA LYS A 36 -8.465 1.570 -3.028 1.00 0.00 C ATOM 572 C LYS A 36 -9.137 0.638 -2.027 1.00 0.00 C ATOM 573 O LYS A 36 -10.358 0.653 -1.872 1.00 0.00 O ATOM 574 CB LYS A 36 -8.074 0.793 -4.286 1.00 0.00 C ATOM 575 CG LYS A 36 -9.095 0.894 -5.406 1.00 0.00 C ATOM 576 CD LYS A 36 -8.512 0.445 -6.736 1.00 0.00 C ATOM 577 CE LYS A 36 -9.480 0.693 -7.881 1.00 0.00 C ATOM 578 NZ LYS A 36 -9.161 1.948 -8.618 1.00 0.00 N ATOM 0 H LYS A 36 -6.405 1.931 -2.865 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.174 2.352 -3.300 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.114 1.162 -4.647 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.935 -0.256 -4.026 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.964 0.282 -5.164 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.444 1.923 -5.490 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -7.580 0.978 -6.924 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.268 -0.616 -6.688 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.450 -0.150 -8.571 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -10.496 0.750 -7.491 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -9.844 2.080 -9.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.215 2.757 -7.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.201 1.884 -9.012 1.00 0.00 H new ATOM 592 N ASP A 37 -8.331 -0.172 -1.348 1.00 0.00 N ATOM 593 CA ASP A 37 -8.847 -1.113 -0.360 1.00 0.00 C ATOM 594 C ASP A 37 -9.490 -0.375 0.810 1.00 0.00 C ATOM 595 O ASP A 37 -10.493 -0.822 1.364 1.00 0.00 O ATOM 596 CB ASP A 37 -7.723 -2.018 0.147 1.00 0.00 C ATOM 597 CG ASP A 37 -7.627 -3.314 -0.634 1.00 0.00 C ATOM 598 OD1 ASP A 37 -7.591 -4.389 -0.001 1.00 0.00 O ATOM 599 OD2 ASP A 37 -7.589 -3.253 -1.881 1.00 0.00 O ATOM 0 H ASP A 37 -7.318 -0.196 -1.464 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.609 -1.726 -0.841 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.774 -1.486 0.081 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.889 -2.243 1.200 1.00 0.00 H new ATOM 604 N ASP A 38 -8.903 0.759 1.182 1.00 0.00 N ATOM 605 CA ASP A 38 -9.417 1.559 2.286 1.00 0.00 C ATOM 606 C ASP A 38 -10.733 2.228 1.907 1.00 0.00 C ATOM 607 O ASP A 38 -11.663 2.292 2.710 1.00 0.00 O ATOM 608 CB ASP A 38 -8.391 2.616 2.699 1.00 0.00 C ATOM 609 CG ASP A 38 -7.501 2.147 3.833 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.991 1.010 3.756 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.315 2.916 4.799 1.00 0.00 O ATOM 0 H ASP A 38 -8.071 1.143 0.734 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.600 0.894 3.130 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.773 2.874 1.839 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.911 3.525 3.001 1.00 0.00 H new ATOM 616 N GLU A 39 -10.801 2.727 0.678 1.00 0.00 N ATOM 617 CA GLU A 39 -12.003 3.393 0.190 1.00 0.00 C ATOM 618 C GLU A 39 -13.128 2.388 -0.037 1.00 0.00 C ATOM 619 O GLU A 39 -14.296 2.683 0.212 1.00 0.00 O ATOM 620 CB GLU A 39 -11.703 4.142 -1.110 1.00 0.00 C ATOM 621 CG GLU A 39 -11.253 5.578 -0.894 1.00 0.00 C ATOM 622 CD GLU A 39 -10.632 6.187 -2.136 1.00 0.00 C ATOM 623 OE1 GLU A 39 -11.114 5.886 -3.249 1.00 0.00 O ATOM 624 OE2 GLU A 39 -9.666 6.965 -1.997 1.00 0.00 O ATOM 0 H GLU A 39 -10.039 2.683 0.002 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.326 4.107 0.947 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.928 3.606 -1.658 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.596 4.140 -1.735 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -12.108 6.181 -0.587 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.531 5.610 -0.078 1.00 0.00 H new