USER MOD reduce.3.24.130724 H: found=0, std=0, add=312, rem=0, adj=7 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= 0.319 USER MOD Set 1.2: A 11 GLN : amide:sc= -0.375 K(o=-0.056,f=-6.3!) USER MOD Single : A 4 TYR OH : rot 150:sc= 0 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 61:sc= 0.0579 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=-0.32) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -130:sc= -0.0306 (180deg=-1.95) USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=-0.059) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.283 8.946 3.884 1.00 0.00 N ATOM 25 CA ASP A 3 -0.101 8.711 4.709 1.00 0.00 C ATOM 26 C ASP A 3 0.795 7.631 4.106 1.00 0.00 C ATOM 27 O ASP A 3 2.008 7.630 4.317 1.00 0.00 O ATOM 28 CB ASP A 3 -0.517 8.310 6.125 1.00 0.00 C ATOM 29 CG ASP A 3 -0.639 9.504 7.052 1.00 0.00 C ATOM 30 OD1 ASP A 3 0.373 10.211 7.244 1.00 0.00 O ATOM 31 OD2 ASP A 3 -1.745 9.733 7.584 1.00 0.00 O ATOM 0 HA ASP A 3 0.468 9.640 4.748 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.472 7.785 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.214 7.611 6.531 1.00 0.00 H new ATOM 36 N TYR A 4 0.192 6.711 3.358 1.00 0.00 N ATOM 37 CA TYR A 4 0.939 5.625 2.730 1.00 0.00 C ATOM 38 C TYR A 4 2.074 6.168 1.865 1.00 0.00 C ATOM 39 O TYR A 4 3.214 5.716 1.966 1.00 0.00 O ATOM 40 CB TYR A 4 0.007 4.760 1.881 1.00 0.00 C ATOM 41 CG TYR A 4 -1.169 4.206 2.649 1.00 0.00 C ATOM 42 CD1 TYR A 4 -0.978 3.441 3.792 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.471 4.450 2.233 1.00 0.00 C ATOM 44 CE1 TYR A 4 -2.052 2.935 4.499 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.550 3.948 2.934 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.336 3.191 4.066 1.00 0.00 C ATOM 47 OH TYR A 4 -4.408 2.689 4.768 1.00 0.00 O ATOM 0 H TYR A 4 -0.811 6.696 3.172 1.00 0.00 H new ATOM 0 HA TYR A 4 1.372 5.014 3.522 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.363 5.352 1.044 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.577 3.932 1.459 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.026 3.238 4.134 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.643 5.042 1.346 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.887 2.342 5.386 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.556 4.148 2.597 1.00 0.00 H new ATOM 0 HH TYR A 4 -5.174 3.292 4.670 1.00 0.00 H new ATOM 57 N SER A 5 1.752 7.140 1.017 1.00 0.00 N ATOM 58 CA SER A 5 2.745 7.744 0.135 1.00 0.00 C ATOM 59 C SER A 5 3.911 8.320 0.934 1.00 0.00 C ATOM 60 O SER A 5 5.018 8.470 0.414 1.00 0.00 O ATOM 61 CB SER A 5 2.101 8.843 -0.712 1.00 0.00 C ATOM 62 OG SER A 5 2.755 8.971 -1.963 1.00 0.00 O ATOM 0 H SER A 5 0.813 7.526 0.922 1.00 0.00 H new ATOM 0 HA SER A 5 3.131 6.964 -0.522 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.047 8.614 -0.871 1.00 0.00 H new ATOM 0 HB3 SER A 5 2.144 9.792 -0.177 1.00 0.00 H new ATOM 0 HG SER A 5 2.324 9.679 -2.487 1.00 0.00 H new ATOM 68 N SER A 6 3.658 8.643 2.198 1.00 0.00 N ATOM 69 CA SER A 6 4.688 9.204 3.066 1.00 0.00 C ATOM 70 C SER A 6 5.577 8.108 3.648 1.00 0.00 C ATOM 71 O SER A 6 6.701 8.372 4.074 1.00 0.00 O ATOM 72 CB SER A 6 4.046 10.009 4.196 1.00 0.00 C ATOM 73 OG SER A 6 4.991 10.868 4.811 1.00 0.00 O ATOM 0 H SER A 6 2.748 8.526 2.645 1.00 0.00 H new ATOM 0 HA SER A 6 5.311 9.864 2.463 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.217 10.597 3.802 1.00 0.00 H new ATOM 0 HB3 SER A 6 3.629 9.330 4.940 1.00 0.00 H new ATOM 0 HG SER A 6 4.555 11.373 5.529 1.00 0.00 H new ATOM 79 N LEU A 7 5.070 6.878 3.668 1.00 0.00 N ATOM 80 CA LEU A 7 5.827 5.751 4.203 1.00 0.00 C ATOM 81 C LEU A 7 6.831 5.234 3.178 1.00 0.00 C ATOM 82 O LEU A 7 6.661 5.425 1.974 1.00 0.00 O ATOM 83 CB LEU A 7 4.886 4.617 4.620 1.00 0.00 C ATOM 84 CG LEU A 7 3.555 5.066 5.228 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.707 3.861 5.602 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.796 5.949 6.443 1.00 0.00 C ATOM 0 H LEU A 7 4.141 6.637 3.321 1.00 0.00 H new ATOM 0 HA LEU A 7 6.370 6.102 5.080 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.678 3.999 3.747 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.402 3.985 5.342 1.00 0.00 H new ATOM 0 HG LEU A 7 3.014 5.648 4.482 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.764 4.199 6.033 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.506 3.267 4.711 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.242 3.252 6.331 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.839 6.259 6.863 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.357 5.391 7.193 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.364 6.830 6.145 1.00 0.00 H new ATOM 98 N THR A 8 7.877 4.576 3.666 1.00 0.00 N ATOM 99 CA THR A 8 8.909 4.025 2.796 1.00 0.00 C ATOM 100 C THR A 8 8.398 2.784 2.075 1.00 0.00 C ATOM 101 O THR A 8 7.336 2.259 2.405 1.00 0.00 O ATOM 102 CB THR A 8 10.155 3.669 3.608 1.00 0.00 C ATOM 103 OG1 THR A 8 9.967 2.444 4.298 1.00 0.00 O ATOM 104 CG2 THR A 8 10.526 4.721 4.632 1.00 0.00 C ATOM 0 H THR A 8 8.032 4.411 4.661 1.00 0.00 H new ATOM 0 HA THR A 8 9.167 4.782 2.056 1.00 0.00 H new ATOM 0 HB THR A 8 10.964 3.595 2.881 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.774 2.230 4.811 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.418 4.404 5.172 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.724 5.667 4.127 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.703 4.850 5.335 1.00 0.00 H new ATOM 112 N VAL A 9 9.163 2.313 1.096 1.00 0.00 N ATOM 113 CA VAL A 9 8.783 1.125 0.346 1.00 0.00 C ATOM 114 C VAL A 9 8.685 -0.079 1.274 1.00 0.00 C ATOM 115 O VAL A 9 7.764 -0.889 1.165 1.00 0.00 O ATOM 116 CB VAL A 9 9.788 0.819 -0.782 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.315 -0.361 -1.619 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.001 2.047 -1.654 1.00 0.00 C ATOM 0 H VAL A 9 10.045 2.734 0.806 1.00 0.00 H new ATOM 0 HA VAL A 9 7.810 1.323 -0.104 1.00 0.00 H new ATOM 0 HB VAL A 9 10.742 0.552 -0.328 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.039 -0.560 -2.409 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.219 -1.242 -0.984 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.348 -0.127 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.713 1.812 -2.445 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.052 2.347 -2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.391 2.863 -1.045 1.00 0.00 H new ATOM 128 N VAL A 10 9.636 -0.181 2.197 1.00 0.00 N ATOM 129 CA VAL A 10 9.651 -1.276 3.157 1.00 0.00 C ATOM 130 C VAL A 10 8.440 -1.193 4.077 1.00 0.00 C ATOM 131 O VAL A 10 7.821 -2.207 4.401 1.00 0.00 O ATOM 132 CB VAL A 10 10.935 -1.265 4.008 1.00 0.00 C ATOM 133 CG1 VAL A 10 10.999 -2.497 4.898 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.167 -1.177 3.118 1.00 0.00 C ATOM 0 H VAL A 10 10.405 0.481 2.299 1.00 0.00 H new ATOM 0 HA VAL A 10 9.619 -2.206 2.589 1.00 0.00 H new ATOM 0 HB VAL A 10 10.914 -0.384 4.649 1.00 0.00 H new ATOM 0 HG11 VAL A 10 11.913 -2.470 5.491 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.135 -2.511 5.563 1.00 0.00 H new ATOM 0 HG13 VAL A 10 10.994 -3.394 4.279 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.064 -1.170 3.738 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.195 -2.037 2.449 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.126 -0.260 2.529 1.00 0.00 H new ATOM 144 N GLN A 11 8.100 0.026 4.487 1.00 0.00 N ATOM 145 CA GLN A 11 6.954 0.244 5.361 1.00 0.00 C ATOM 146 C GLN A 11 5.662 -0.098 4.629 1.00 0.00 C ATOM 147 O GLN A 11 4.804 -0.807 5.155 1.00 0.00 O ATOM 148 CB GLN A 11 6.917 1.695 5.842 1.00 0.00 C ATOM 149 CG GLN A 11 7.685 1.929 7.132 1.00 0.00 C ATOM 150 CD GLN A 11 7.757 3.394 7.512 1.00 0.00 C ATOM 151 OE1 GLN A 11 7.978 4.257 6.662 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.569 3.683 8.794 1.00 0.00 N ATOM 0 H GLN A 11 8.601 0.876 4.228 1.00 0.00 H new ATOM 0 HA GLN A 11 7.051 -0.408 6.229 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.328 2.338 5.063 1.00 0.00 H new ATOM 0 HB3 GLN A 11 5.879 1.994 5.988 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.210 1.371 7.939 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.696 1.536 7.025 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.389 2.936 9.464 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.605 4.653 9.109 1.00 0.00 H new ATOM 161 N LEU A 12 5.537 0.406 3.405 1.00 0.00 N ATOM 162 CA LEU A 12 4.359 0.150 2.589 1.00 0.00 C ATOM 163 C LEU A 12 4.227 -1.339 2.291 1.00 0.00 C ATOM 164 O LEU A 12 3.123 -1.884 2.265 1.00 0.00 O ATOM 165 CB LEU A 12 4.443 0.935 1.280 1.00 0.00 C ATOM 166 CG LEU A 12 3.935 2.375 1.358 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.775 3.288 0.478 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.470 2.443 0.953 1.00 0.00 C ATOM 0 H LEU A 12 6.239 0.995 2.957 1.00 0.00 H new ATOM 0 HA LEU A 12 3.479 0.475 3.145 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.481 0.949 0.948 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.872 0.405 0.518 1.00 0.00 H new ATOM 0 HG LEU A 12 4.025 2.717 2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.398 4.308 0.547 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.812 3.261 0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.718 2.950 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.123 3.475 1.014 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.358 2.082 -0.069 1.00 0.00 H new ATOM 0 HD23 LEU A 12 1.878 1.821 1.624 1.00 0.00 H new ATOM 180 N LYS A 13 5.363 -1.992 2.068 1.00 0.00 N ATOM 181 CA LYS A 13 5.383 -3.419 1.773 1.00 0.00 C ATOM 182 C LYS A 13 4.937 -4.231 2.984 1.00 0.00 C ATOM 183 O LYS A 13 4.252 -5.244 2.846 1.00 0.00 O ATOM 184 CB LYS A 13 6.786 -3.852 1.338 1.00 0.00 C ATOM 185 CG LYS A 13 6.928 -4.033 -0.164 1.00 0.00 C ATOM 186 CD LYS A 13 8.187 -4.811 -0.517 1.00 0.00 C ATOM 187 CE LYS A 13 9.262 -3.901 -1.089 1.00 0.00 C ATOM 188 NZ LYS A 13 10.618 -4.506 -0.980 1.00 0.00 N ATOM 0 H LYS A 13 6.284 -1.554 2.086 1.00 0.00 H new ATOM 0 HA LYS A 13 4.685 -3.607 0.957 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.508 -3.108 1.676 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.038 -4.789 1.834 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.055 -4.557 -0.552 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.955 -3.057 -0.648 1.00 0.00 H new ATOM 0 HD2 LYS A 13 8.568 -5.312 0.373 1.00 0.00 H new ATOM 0 HD3 LYS A 13 7.944 -5.589 -1.241 1.00 0.00 H new ATOM 0 HE2 LYS A 13 9.041 -3.692 -2.136 1.00 0.00 H new ATOM 0 HE3 LYS A 13 9.247 -2.946 -0.563 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 11.322 -3.854 -1.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.840 -4.683 0.021 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 10.640 -5.404 -1.503 1.00 0.00 H new ATOM 202 N ASP A 14 5.327 -3.779 4.172 1.00 0.00 N ATOM 203 CA ASP A 14 4.961 -4.463 5.405 1.00 0.00 C ATOM 204 C ASP A 14 3.456 -4.394 5.630 1.00 0.00 C ATOM 205 O ASP A 14 2.811 -5.403 5.920 1.00 0.00 O ATOM 206 CB ASP A 14 5.697 -3.846 6.596 1.00 0.00 C ATOM 207 CG ASP A 14 6.147 -4.888 7.601 1.00 0.00 C ATOM 208 OD1 ASP A 14 5.313 -5.314 8.428 1.00 0.00 O ATOM 209 OD2 ASP A 14 7.333 -5.278 7.563 1.00 0.00 O ATOM 0 H ASP A 14 5.896 -2.943 4.306 1.00 0.00 H new ATOM 0 HA ASP A 14 5.252 -5.509 5.314 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.565 -3.293 6.236 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.044 -3.127 7.090 1.00 0.00 H new ATOM 214 N LEU A 15 2.901 -3.197 5.485 1.00 0.00 N ATOM 215 CA LEU A 15 1.469 -2.994 5.665 1.00 0.00 C ATOM 216 C LEU A 15 0.681 -3.796 4.639 1.00 0.00 C ATOM 217 O LEU A 15 -0.364 -4.367 4.950 1.00 0.00 O ATOM 218 CB LEU A 15 1.125 -1.508 5.548 1.00 0.00 C ATOM 219 CG LEU A 15 1.162 -0.728 6.863 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.866 0.743 6.620 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.172 -1.317 7.858 1.00 0.00 C ATOM 0 H LEU A 15 3.420 -2.353 5.244 1.00 0.00 H new ATOM 0 HA LEU A 15 1.196 -3.342 6.661 1.00 0.00 H new ATOM 0 HB2 LEU A 15 1.820 -1.044 4.849 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.129 -1.415 5.116 1.00 0.00 H new ATOM 0 HG LEU A 15 2.164 -0.810 7.285 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.897 1.282 7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.613 1.157 5.943 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.124 0.846 6.176 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.211 -0.751 8.788 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.835 -1.265 7.443 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.430 -2.357 8.056 1.00 0.00 H new ATOM 233 N LEU A 16 1.194 -3.842 3.416 1.00 0.00 N ATOM 234 CA LEU A 16 0.547 -4.579 2.344 1.00 0.00 C ATOM 235 C LEU A 16 0.545 -6.072 2.650 1.00 0.00 C ATOM 236 O LEU A 16 -0.465 -6.752 2.474 1.00 0.00 O ATOM 237 CB LEU A 16 1.260 -4.313 1.020 1.00 0.00 C ATOM 238 CG LEU A 16 0.988 -2.940 0.402 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.139 -2.521 -0.497 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.320 -2.956 -0.374 1.00 0.00 C ATOM 0 H LEU A 16 2.059 -3.375 3.144 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.486 -4.241 2.263 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.334 -4.418 1.176 1.00 0.00 H new ATOM 0 HB3 LEU A 16 0.965 -5.081 0.305 1.00 0.00 H new ATOM 0 HG LEU A 16 0.901 -2.211 1.207 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.927 -1.542 -0.927 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.057 -2.469 0.088 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.260 -3.251 -1.298 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.498 -1.972 -0.807 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -0.261 -3.698 -1.171 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -1.139 -3.210 0.299 1.00 0.00 H new ATOM 252 N THR A 17 1.681 -6.577 3.124 1.00 0.00 N ATOM 253 CA THR A 17 1.797 -7.988 3.465 1.00 0.00 C ATOM 254 C THR A 17 0.767 -8.354 4.525 1.00 0.00 C ATOM 255 O THR A 17 0.110 -9.392 4.439 1.00 0.00 O ATOM 256 CB THR A 17 3.207 -8.310 3.966 1.00 0.00 C ATOM 257 OG1 THR A 17 3.836 -7.148 4.482 1.00 0.00 O ATOM 258 CG2 THR A 17 4.106 -8.886 2.892 1.00 0.00 C ATOM 0 H THR A 17 2.529 -6.032 3.279 1.00 0.00 H new ATOM 0 HA THR A 17 1.609 -8.577 2.567 1.00 0.00 H new ATOM 0 HB THR A 17 3.073 -9.061 4.744 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.318 -6.804 5.239 1.00 0.00 H new ATOM 0 HG21 THR A 17 5.090 -9.092 3.313 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.673 -9.812 2.513 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.203 -8.170 2.076 1.00 0.00 H new ATOM 266 N LYS A 18 0.623 -7.483 5.516 1.00 0.00 N ATOM 267 CA LYS A 18 -0.339 -7.698 6.588 1.00 0.00 C ATOM 268 C LYS A 18 -1.766 -7.588 6.056 1.00 0.00 C ATOM 269 O LYS A 18 -2.684 -8.226 6.572 1.00 0.00 O ATOM 270 CB LYS A 18 -0.118 -6.686 7.715 1.00 0.00 C ATOM 271 CG LYS A 18 -0.010 -7.324 9.092 1.00 0.00 C ATOM 272 CD LYS A 18 -0.810 -6.555 10.131 1.00 0.00 C ATOM 273 CE LYS A 18 -1.576 -7.493 11.051 1.00 0.00 C ATOM 274 NZ LYS A 18 -0.707 -8.054 12.122 1.00 0.00 N ATOM 0 H LYS A 18 1.161 -6.620 5.599 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.191 -8.702 6.985 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.792 -6.122 7.512 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.942 -5.972 7.718 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.367 -8.353 9.046 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.037 -7.363 9.394 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -0.138 -5.933 10.722 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -1.508 -5.884 9.631 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.410 -6.956 11.504 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.002 -8.308 10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -1.267 -8.688 12.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.074 -8.588 11.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.320 -7.279 12.697 1.00 0.00 H new ATOM 288 N ARG A 19 -1.944 -6.771 5.020 1.00 0.00 N ATOM 289 CA ARG A 19 -3.257 -6.574 4.416 1.00 0.00 C ATOM 290 C ARG A 19 -3.507 -7.568 3.279 1.00 0.00 C ATOM 291 O ARG A 19 -4.598 -7.605 2.710 1.00 0.00 O ATOM 292 CB ARG A 19 -3.383 -5.140 3.894 1.00 0.00 C ATOM 293 CG ARG A 19 -4.258 -4.250 4.762 1.00 0.00 C ATOM 294 CD ARG A 19 -3.433 -3.467 5.771 1.00 0.00 C ATOM 295 NE ARG A 19 -3.754 -2.042 5.754 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.821 -1.516 6.351 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.672 -2.292 7.012 1.00 0.00 N ATOM 298 NH2 ARG A 19 -5.040 -0.210 6.286 1.00 0.00 N ATOM 0 H ARG A 19 -1.194 -6.235 4.582 1.00 0.00 H new ATOM 0 HA ARG A 19 -4.009 -6.749 5.185 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.388 -4.699 3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.793 -5.165 2.884 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -4.814 -3.557 4.130 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -4.992 -4.861 5.287 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -3.608 -3.866 6.770 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -2.373 -3.602 5.555 1.00 0.00 H new ATOM 0 HE ARG A 19 -3.124 -1.414 5.256 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.510 -3.298 7.065 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.488 -1.882 7.467 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -4.391 0.391 5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -5.858 0.193 6.743 1.00 0.00 H new ATOM 312 N ASN A 20 -2.496 -8.370 2.955 1.00 0.00 N ATOM 313 CA ASN A 20 -2.614 -9.361 1.889 1.00 0.00 C ATOM 314 C ASN A 20 -2.841 -8.686 0.539 1.00 0.00 C ATOM 315 O ASN A 20 -3.683 -9.119 -0.249 1.00 0.00 O ATOM 316 CB ASN A 20 -3.754 -10.337 2.188 1.00 0.00 C ATOM 317 CG ASN A 20 -3.333 -11.444 3.134 1.00 0.00 C ATOM 318 OD1 ASN A 20 -2.723 -11.191 4.172 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.659 -12.683 2.778 1.00 0.00 N ATOM 0 H ASN A 20 -1.586 -8.353 3.415 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.678 -9.917 1.842 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.592 -9.791 2.622 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.108 -10.775 1.255 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -3.403 -13.469 3.375 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -4.165 -12.847 1.908 1.00 0.00 H new ATOM 326 N LEU A 21 -2.084 -7.626 0.278 1.00 0.00 N ATOM 327 CA LEU A 21 -2.202 -6.892 -0.977 1.00 0.00 C ATOM 328 C LEU A 21 -0.993 -7.149 -1.872 1.00 0.00 C ATOM 329 O LEU A 21 0.018 -7.692 -1.426 1.00 0.00 O ATOM 330 CB LEU A 21 -2.340 -5.394 -0.703 1.00 0.00 C ATOM 331 CG LEU A 21 -3.662 -4.971 -0.062 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.596 -3.523 0.396 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.814 -5.173 -1.036 1.00 0.00 C ATOM 0 H LEU A 21 -1.382 -7.256 0.919 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.095 -7.243 -1.494 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.523 -5.083 -0.053 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.222 -4.856 -1.644 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.836 -5.598 0.813 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.546 -3.241 0.849 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.797 -3.409 1.128 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.398 -2.879 -0.461 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.748 -4.867 -0.564 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.645 -4.572 -1.929 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.876 -6.225 -1.313 1.00 0.00 H new ATOM 345 N SER A 22 -1.105 -6.756 -3.137 1.00 0.00 N ATOM 346 CA SER A 22 -0.021 -6.945 -4.095 1.00 0.00 C ATOM 347 C SER A 22 1.122 -5.973 -3.825 1.00 0.00 C ATOM 348 O SER A 22 0.936 -4.756 -3.854 1.00 0.00 O ATOM 349 CB SER A 22 -0.538 -6.759 -5.524 1.00 0.00 C ATOM 350 OG SER A 22 -0.949 -7.995 -6.083 1.00 0.00 O ATOM 0 H SER A 22 -1.935 -6.305 -3.522 1.00 0.00 H new ATOM 0 HA SER A 22 0.357 -7.961 -3.981 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.375 -6.061 -5.523 1.00 0.00 H new ATOM 0 HB3 SER A 22 0.244 -6.319 -6.143 1.00 0.00 H new ATOM 0 HG SER A 22 -1.276 -7.849 -6.995 1.00 0.00 H new ATOM 356 N VAL A 23 2.305 -6.518 -3.561 1.00 0.00 N ATOM 357 CA VAL A 23 3.480 -5.699 -3.285 1.00 0.00 C ATOM 358 C VAL A 23 4.449 -5.698 -4.465 1.00 0.00 C ATOM 359 O VAL A 23 5.626 -5.373 -4.310 1.00 0.00 O ATOM 360 CB VAL A 23 4.223 -6.191 -2.029 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.400 -5.918 -0.780 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.552 -7.672 -2.149 1.00 0.00 C ATOM 0 H VAL A 23 2.476 -7.523 -3.532 1.00 0.00 H new ATOM 0 HA VAL A 23 3.121 -4.684 -3.116 1.00 0.00 H new ATOM 0 HB VAL A 23 5.160 -5.641 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.941 -6.273 0.097 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.222 -4.846 -0.688 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.445 -6.439 -0.852 1.00 0.00 H new ATOM 0 HG21 VAL A 23 5.077 -8.002 -1.252 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.629 -8.242 -2.260 1.00 0.00 H new ATOM 0 HG23 VAL A 23 5.186 -7.834 -3.021 1.00 0.00 H new ATOM 372 N GLY A 24 3.951 -6.064 -5.643 1.00 0.00 N ATOM 373 CA GLY A 24 4.794 -6.098 -6.825 1.00 0.00 C ATOM 374 C GLY A 24 4.825 -4.771 -7.558 1.00 0.00 C ATOM 375 O GLY A 24 5.802 -4.453 -8.236 1.00 0.00 O ATOM 0 H GLY A 24 2.981 -6.337 -5.800 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.808 -6.373 -6.535 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.434 -6.874 -7.501 1.00 0.00 H new ATOM 379 N GLY A 25 3.754 -3.995 -7.424 1.00 0.00 N ATOM 380 CA GLY A 25 3.687 -2.706 -8.088 1.00 0.00 C ATOM 381 C GLY A 25 4.639 -1.691 -7.488 1.00 0.00 C ATOM 382 O GLY A 25 5.175 -1.900 -6.400 1.00 0.00 O ATOM 0 H GLY A 25 2.933 -4.235 -6.869 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.918 -2.834 -9.146 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.668 -2.323 -8.028 1.00 0.00 H new ATOM 386 N LEU A 26 4.851 -0.588 -8.199 1.00 0.00 N ATOM 387 CA LEU A 26 5.746 0.465 -7.732 1.00 0.00 C ATOM 388 C LEU A 26 5.167 1.161 -6.504 1.00 0.00 C ATOM 389 O LEU A 26 4.007 0.949 -6.149 1.00 0.00 O ATOM 390 CB LEU A 26 5.990 1.487 -8.843 1.00 0.00 C ATOM 391 CG LEU A 26 6.770 0.958 -10.049 1.00 0.00 C ATOM 392 CD1 LEU A 26 6.278 1.612 -11.331 1.00 0.00 C ATOM 393 CD2 LEU A 26 8.261 1.197 -9.864 1.00 0.00 C ATOM 0 H LEU A 26 4.415 -0.400 -9.102 1.00 0.00 H new ATOM 0 HA LEU A 26 6.696 0.006 -7.457 1.00 0.00 H new ATOM 0 HB2 LEU A 26 5.027 1.862 -9.189 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.531 2.335 -8.423 1.00 0.00 H new ATOM 0 HG LEU A 26 6.601 -0.116 -10.126 1.00 0.00 H new ATOM 0 HD11 LEU A 26 6.844 1.224 -12.178 1.00 0.00 H new ATOM 0 HD12 LEU A 26 5.220 1.390 -11.470 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.417 2.691 -11.266 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.801 0.815 -10.730 1.00 0.00 H new ATOM 0 HD22 LEU A 26 8.448 2.266 -9.762 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.604 0.682 -8.967 1.00 0.00 H new ATOM 405 N LYS A 27 5.980 1.993 -5.858 1.00 0.00 N ATOM 406 CA LYS A 27 5.546 2.719 -4.667 1.00 0.00 C ATOM 407 C LYS A 27 4.190 3.381 -4.890 1.00 0.00 C ATOM 408 O LYS A 27 3.325 3.358 -4.014 1.00 0.00 O ATOM 409 CB LYS A 27 6.584 3.777 -4.283 1.00 0.00 C ATOM 410 CG LYS A 27 6.662 4.036 -2.788 1.00 0.00 C ATOM 411 CD LYS A 27 7.910 4.823 -2.423 1.00 0.00 C ATOM 412 CE LYS A 27 8.153 4.817 -0.921 1.00 0.00 C ATOM 413 NZ LYS A 27 9.505 5.335 -0.575 1.00 0.00 N ATOM 0 H LYS A 27 6.942 2.181 -6.139 1.00 0.00 H new ATOM 0 HA LYS A 27 5.447 2.000 -3.854 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.564 3.460 -4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.346 4.710 -4.793 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.777 4.585 -2.466 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.660 3.087 -2.253 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.773 4.396 -2.934 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.809 5.851 -2.772 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.394 5.425 -0.428 1.00 0.00 H new ATOM 0 HE3 LYS A 27 8.045 3.802 -0.540 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 9.977 4.669 0.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 10.070 5.437 -1.442 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 9.414 6.261 -0.110 1.00 0.00 H new ATOM 427 N ASN A 28 4.008 3.963 -6.070 1.00 0.00 N ATOM 428 CA ASN A 28 2.754 4.623 -6.410 1.00 0.00 C ATOM 429 C ASN A 28 1.618 3.609 -6.498 1.00 0.00 C ATOM 430 O ASN A 28 0.488 3.888 -6.095 1.00 0.00 O ATOM 431 CB ASN A 28 2.890 5.372 -7.737 1.00 0.00 C ATOM 432 CG ASN A 28 1.989 6.588 -7.809 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.392 7.697 -7.457 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.759 6.387 -8.268 1.00 0.00 N ATOM 0 H ASN A 28 4.713 3.991 -6.807 1.00 0.00 H new ATOM 0 HA ASN A 28 2.521 5.339 -5.622 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.926 5.683 -7.871 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.651 4.697 -8.558 1.00 0.00 H new ATOM 0 HD21 ASN A 28 0.107 7.168 -8.340 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.466 5.451 -8.549 1.00 0.00 H new ATOM 441 N GLU A 29 1.930 2.426 -7.020 1.00 0.00 N ATOM 442 CA GLU A 29 0.940 1.365 -7.154 1.00 0.00 C ATOM 443 C GLU A 29 0.568 0.816 -5.786 1.00 0.00 C ATOM 444 O GLU A 29 -0.585 0.462 -5.535 1.00 0.00 O ATOM 445 CB GLU A 29 1.479 0.243 -8.044 1.00 0.00 C ATOM 446 CG GLU A 29 1.083 0.379 -9.504 1.00 0.00 C ATOM 447 CD GLU A 29 0.652 -0.939 -10.117 1.00 0.00 C ATOM 448 OE1 GLU A 29 1.514 -1.636 -10.692 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.548 -1.275 -10.022 1.00 0.00 O ATOM 0 H GLU A 29 2.861 2.179 -7.357 1.00 0.00 H new ATOM 0 HA GLU A 29 0.047 1.781 -7.620 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.566 0.224 -7.972 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.118 -0.714 -7.666 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.269 1.099 -9.590 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.924 0.780 -10.069 1.00 0.00 H new ATOM 456 N LEU A 30 1.556 0.754 -4.902 1.00 0.00 N ATOM 457 CA LEU A 30 1.345 0.258 -3.550 1.00 0.00 C ATOM 458 C LEU A 30 0.416 1.187 -2.777 1.00 0.00 C ATOM 459 O LEU A 30 -0.522 0.739 -2.118 1.00 0.00 O ATOM 460 CB LEU A 30 2.684 0.129 -2.822 1.00 0.00 C ATOM 461 CG LEU A 30 3.699 -0.803 -3.486 1.00 0.00 C ATOM 462 CD1 LEU A 30 5.038 -0.731 -2.767 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.181 -2.233 -3.507 1.00 0.00 C ATOM 0 H LEU A 30 2.514 1.042 -5.099 1.00 0.00 H new ATOM 0 HA LEU A 30 0.878 -0.725 -3.611 1.00 0.00 H new ATOM 0 HB2 LEU A 30 3.128 1.120 -2.734 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.496 -0.227 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 30 3.842 -0.476 -4.516 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.748 -1.400 -3.253 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.417 0.290 -2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.909 -1.031 -1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.918 -2.880 -3.983 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.007 -2.572 -2.486 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.247 -2.273 -4.067 1.00 0.00 H new ATOM 475 N VAL A 31 0.682 2.486 -2.871 1.00 0.00 N ATOM 476 CA VAL A 31 -0.133 3.482 -2.186 1.00 0.00 C ATOM 477 C VAL A 31 -1.567 3.450 -2.699 1.00 0.00 C ATOM 478 O VAL A 31 -2.517 3.456 -1.918 1.00 0.00 O ATOM 479 CB VAL A 31 0.438 4.902 -2.371 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.340 5.906 -1.533 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.918 4.933 -2.015 1.00 0.00 C ATOM 0 H VAL A 31 1.454 2.873 -3.414 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.119 3.234 -1.125 1.00 0.00 H new ATOM 0 HB VAL A 31 0.333 5.181 -3.419 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.078 6.902 -1.677 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.386 5.904 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.271 5.632 -0.480 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.304 5.943 -2.152 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.049 4.632 -0.976 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.462 4.246 -2.663 1.00 0.00 H new ATOM 491 N GLN A 32 -1.710 3.412 -4.016 1.00 0.00 N ATOM 492 CA GLN A 32 -3.027 3.373 -4.640 1.00 0.00 C ATOM 493 C GLN A 32 -3.775 2.106 -4.241 1.00 0.00 C ATOM 494 O GLN A 32 -4.994 2.121 -4.071 1.00 0.00 O ATOM 495 CB GLN A 32 -2.897 3.447 -6.163 1.00 0.00 C ATOM 496 CG GLN A 32 -2.978 4.862 -6.713 1.00 0.00 C ATOM 497 CD GLN A 32 -3.158 4.892 -8.218 1.00 0.00 C ATOM 498 OE1 GLN A 32 -2.521 4.131 -8.947 1.00 0.00 O ATOM 499 NE2 GLN A 32 -4.029 5.776 -8.693 1.00 0.00 N ATOM 0 H GLN A 32 -0.931 3.407 -4.674 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.595 4.236 -4.291 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -1.946 3.005 -6.460 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -3.684 2.844 -6.616 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -3.810 5.385 -6.241 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.070 5.403 -6.448 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -4.536 6.388 -8.053 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -4.191 5.843 -9.698 1.00 0.00 H new ATOM 508 N ARG A 33 -3.037 1.011 -4.087 1.00 0.00 N ATOM 509 CA ARG A 33 -3.637 -0.260 -3.701 1.00 0.00 C ATOM 510 C ARG A 33 -4.228 -0.161 -2.301 1.00 0.00 C ATOM 511 O ARG A 33 -5.360 -0.584 -2.061 1.00 0.00 O ATOM 512 CB ARG A 33 -2.596 -1.380 -3.752 1.00 0.00 C ATOM 513 CG ARG A 33 -3.200 -2.768 -3.885 1.00 0.00 C ATOM 514 CD ARG A 33 -3.659 -3.045 -5.310 1.00 0.00 C ATOM 515 NE ARG A 33 -2.563 -3.513 -6.157 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.807 -2.714 -6.909 1.00 0.00 C ATOM 517 NH1 ARG A 33 -2.018 -1.403 -6.928 1.00 0.00 N ATOM 518 NH2 ARG A 33 -0.833 -3.231 -7.646 1.00 0.00 N ATOM 0 H ARG A 33 -2.027 0.979 -4.223 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.436 -0.492 -4.406 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.925 -1.203 -4.593 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -1.990 -1.342 -2.847 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -2.465 -3.515 -3.587 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -4.046 -2.864 -3.204 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -4.452 -3.793 -5.297 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -4.085 -2.137 -5.737 1.00 0.00 H new ATOM 0 HE ARG A 33 -2.365 -4.513 -6.173 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -2.765 -0.998 -6.363 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -1.433 -0.801 -7.507 1.00 0.00 H new ATOM 0 HH21 ARG A 33 -0.665 -4.237 -7.636 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.252 -2.623 -8.223 1.00 0.00 H new ATOM 532 N LEU A 34 -3.462 0.419 -1.382 1.00 0.00 N ATOM 533 CA LEU A 34 -3.920 0.596 -0.011 1.00 0.00 C ATOM 534 C LEU A 34 -5.068 1.597 0.029 1.00 0.00 C ATOM 535 O LEU A 34 -6.013 1.453 0.805 1.00 0.00 O ATOM 536 CB LEU A 34 -2.773 1.074 0.880 1.00 0.00 C ATOM 537 CG LEU A 34 -1.774 -0.011 1.288 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.400 0.592 1.528 1.00 0.00 C ATOM 539 CD2 LEU A 34 -2.262 -0.744 2.529 1.00 0.00 C ATOM 0 H LEU A 34 -2.523 0.773 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.272 -0.364 0.365 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.234 1.865 0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.194 1.516 1.783 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.694 -0.731 0.473 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.297 -0.195 1.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.048 1.071 0.614 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.462 1.333 2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.540 -1.512 2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.371 -0.036 3.351 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.225 -1.210 2.321 1.00 0.00 H new ATOM 551 N ILE A 35 -4.972 2.610 -0.826 1.00 0.00 N ATOM 552 CA ILE A 35 -5.990 3.647 -0.915 1.00 0.00 C ATOM 553 C ILE A 35 -7.308 3.073 -1.432 1.00 0.00 C ATOM 554 O ILE A 35 -8.380 3.396 -0.921 1.00 0.00 O ATOM 555 CB ILE A 35 -5.524 4.795 -1.840 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.346 5.537 -1.206 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.665 5.760 -2.137 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.458 6.233 -2.214 1.00 0.00 C ATOM 0 H ILE A 35 -4.192 2.734 -1.472 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.148 4.043 0.088 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.200 4.360 -2.786 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.729 6.274 -0.501 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.747 4.829 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.307 6.557 -2.790 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.476 5.224 -2.630 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.029 6.191 -1.204 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.644 6.738 -1.694 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.046 5.498 -2.905 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.043 6.965 -2.770 1.00 0.00 H new ATOM 570 N LYS A 36 -7.218 2.220 -2.448 1.00 0.00 N ATOM 571 CA LYS A 36 -8.401 1.601 -3.032 1.00 0.00 C ATOM 572 C LYS A 36 -9.075 0.665 -2.034 1.00 0.00 C ATOM 573 O LYS A 36 -10.290 0.718 -1.841 1.00 0.00 O ATOM 574 CB LYS A 36 -8.026 0.830 -4.300 1.00 0.00 C ATOM 575 CG LYS A 36 -8.265 1.614 -5.581 1.00 0.00 C ATOM 576 CD LYS A 36 -9.749 1.794 -5.855 1.00 0.00 C ATOM 577 CE LYS A 36 -9.990 2.744 -7.017 1.00 0.00 C ATOM 578 NZ LYS A 36 -10.268 2.011 -8.283 1.00 0.00 N ATOM 0 H LYS A 36 -6.338 1.942 -2.883 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.104 2.393 -3.291 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -6.974 0.549 -4.247 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.602 -0.095 -4.337 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -7.787 2.591 -5.506 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -7.800 1.095 -6.419 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.199 0.826 -6.076 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.241 2.178 -4.961 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.830 3.398 -6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.117 3.383 -7.151 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.427 2.693 -9.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -9.456 1.406 -8.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -11.116 1.421 -8.163 1.00 0.00 H new ATOM 592 N ASP A 37 -8.280 -0.191 -1.402 1.00 0.00 N ATOM 593 CA ASP A 37 -8.800 -1.138 -0.423 1.00 0.00 C ATOM 594 C ASP A 37 -9.443 -0.411 0.752 1.00 0.00 C ATOM 595 O ASP A 37 -10.480 -0.833 1.264 1.00 0.00 O ATOM 596 CB ASP A 37 -7.679 -2.050 0.079 1.00 0.00 C ATOM 597 CG ASP A 37 -8.209 -3.294 0.764 1.00 0.00 C ATOM 598 OD1 ASP A 37 -7.740 -3.604 1.880 1.00 0.00 O ATOM 599 OD2 ASP A 37 -9.094 -3.960 0.185 1.00 0.00 O ATOM 0 H ASP A 37 -7.272 -0.249 -1.550 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.563 -1.744 -0.912 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -7.048 -2.342 -0.761 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.048 -1.497 0.774 1.00 0.00 H new ATOM 604 N ASP A 38 -8.822 0.686 1.176 1.00 0.00 N ATOM 605 CA ASP A 38 -9.337 1.473 2.291 1.00 0.00 C ATOM 606 C ASP A 38 -10.635 2.174 1.910 1.00 0.00 C ATOM 607 O ASP A 38 -11.574 2.237 2.704 1.00 0.00 O ATOM 608 CB ASP A 38 -8.297 2.504 2.738 1.00 0.00 C ATOM 609 CG ASP A 38 -7.425 1.993 3.868 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.680 1.015 3.649 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.487 2.572 4.973 1.00 0.00 O ATOM 0 H ASP A 38 -7.962 1.049 0.765 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.543 0.793 3.118 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.667 2.772 1.890 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -8.805 3.414 3.058 1.00 0.00 H new ATOM 616 N GLU A 39 -10.680 2.698 0.693 1.00 0.00 N ATOM 617 CA GLU A 39 -11.862 3.397 0.203 1.00 0.00 C ATOM 618 C GLU A 39 -13.005 2.420 -0.053 1.00 0.00 C ATOM 619 O GLU A 39 -14.172 2.739 0.175 1.00 0.00 O ATOM 620 CB GLU A 39 -11.533 4.165 -1.079 1.00 0.00 C ATOM 621 CG GLU A 39 -11.106 5.602 -0.834 1.00 0.00 C ATOM 622 CD GLU A 39 -12.280 6.561 -0.803 1.00 0.00 C ATOM 623 OE1 GLU A 39 -12.728 6.986 -1.889 1.00 0.00 O ATOM 624 OE2 GLU A 39 -12.751 6.887 0.306 1.00 0.00 O ATOM 0 H GLU A 39 -9.911 2.653 0.025 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.178 4.105 0.969 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.737 3.644 -1.611 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.407 4.160 -1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -10.568 5.661 0.112 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.411 5.909 -1.616 1.00 0.00 H new