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 28 ASN : amide:sc= -0.133 X(o=-2.7,f=-2.6) USER MOD Set 1.2: A 32 GLN : amide:sc= -2.61 K(o=-2.7,f=-3.9!) USER MOD Single : A 4 TYR OH : rot -124:sc= 0.0174 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 8 THR OG1 : rot 180:sc= 0.318 USER MOD Single : A 11 GLN : amide:sc= -0.292 K(o=-0.29,f=-7.4!) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 71:sc= 0.976 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=-0.00076) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 1.06 (180deg=0.515) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 24 N ASP A 3 -1.303 8.838 4.231 1.00 0.00 N ATOM 25 CA ASP A 3 -0.156 8.528 5.076 1.00 0.00 C ATOM 26 C ASP A 3 0.742 7.484 4.419 1.00 0.00 C ATOM 27 O ASP A 3 1.950 7.455 4.656 1.00 0.00 O ATOM 28 CB ASP A 3 -0.625 8.025 6.443 1.00 0.00 C ATOM 29 CG ASP A 3 -0.991 9.157 7.382 1.00 0.00 C ATOM 30 OD1 ASP A 3 -2.102 9.710 7.240 1.00 0.00 O ATOM 31 OD2 ASP A 3 -0.168 9.490 8.260 1.00 0.00 O ATOM 0 HA ASP A 3 0.421 9.443 5.210 1.00 0.00 H new ATOM 0 HB2 ASP A 3 -1.489 7.373 6.310 1.00 0.00 H new ATOM 0 HB3 ASP A 3 0.163 7.422 6.895 1.00 0.00 H new ATOM 36 N TYR A 4 0.146 6.628 3.596 1.00 0.00 N ATOM 37 CA TYR A 4 0.893 5.580 2.907 1.00 0.00 C ATOM 38 C TYR A 4 2.031 6.171 2.078 1.00 0.00 C ATOM 39 O TYR A 4 3.170 5.714 2.158 1.00 0.00 O ATOM 40 CB TYR A 4 -0.039 4.768 2.007 1.00 0.00 C ATOM 41 CG TYR A 4 -1.174 4.104 2.753 1.00 0.00 C ATOM 42 CD1 TYR A 4 -0.928 3.091 3.671 1.00 0.00 C ATOM 43 CD2 TYR A 4 -2.491 4.488 2.537 1.00 0.00 C ATOM 44 CE1 TYR A 4 -1.963 2.481 4.355 1.00 0.00 C ATOM 45 CE2 TYR A 4 -3.531 3.883 3.217 1.00 0.00 C ATOM 46 CZ TYR A 4 -3.262 2.881 4.125 1.00 0.00 C ATOM 47 OH TYR A 4 -4.295 2.276 4.803 1.00 0.00 O ATOM 0 H TYR A 4 -0.853 6.639 3.389 1.00 0.00 H new ATOM 0 HA TYR A 4 1.324 4.923 3.662 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -0.453 5.424 1.241 1.00 0.00 H new ATOM 0 HB3 TYR A 4 0.542 4.003 1.492 1.00 0.00 H new ATOM 0 HD1 TYR A 4 0.088 2.775 3.853 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -2.706 5.272 1.826 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -1.755 1.695 5.066 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -4.550 4.194 3.038 1.00 0.00 H new ATOM 0 HH TYR A 4 -4.942 1.917 4.161 1.00 0.00 H new ATOM 57 N SER A 5 1.713 7.187 1.284 1.00 0.00 N ATOM 58 CA SER A 5 2.709 7.838 0.440 1.00 0.00 C ATOM 59 C SER A 5 3.860 8.390 1.277 1.00 0.00 C ATOM 60 O SER A 5 4.979 8.539 0.787 1.00 0.00 O ATOM 61 CB SER A 5 2.064 8.966 -0.368 1.00 0.00 C ATOM 62 OG SER A 5 1.315 9.830 0.468 1.00 0.00 O ATOM 0 H SER A 5 0.774 7.578 1.207 1.00 0.00 H new ATOM 0 HA SER A 5 3.110 7.091 -0.245 1.00 0.00 H new ATOM 0 HB2 SER A 5 2.837 9.535 -0.885 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.414 8.543 -1.134 1.00 0.00 H new ATOM 0 HG SER A 5 0.915 10.543 -0.073 1.00 0.00 H new ATOM 68 N SER A 6 3.577 8.695 2.540 1.00 0.00 N ATOM 69 CA SER A 6 4.591 9.232 3.441 1.00 0.00 C ATOM 70 C SER A 6 5.516 8.129 3.952 1.00 0.00 C ATOM 71 O SER A 6 6.632 8.401 4.393 1.00 0.00 O ATOM 72 CB SER A 6 3.926 9.945 4.621 1.00 0.00 C ATOM 73 OG SER A 6 4.438 11.257 4.778 1.00 0.00 O ATOM 0 H SER A 6 2.656 8.580 2.962 1.00 0.00 H new ATOM 0 HA SER A 6 5.192 9.948 2.881 1.00 0.00 H new ATOM 0 HB2 SER A 6 2.848 9.988 4.463 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.092 9.375 5.535 1.00 0.00 H new ATOM 0 HG SER A 6 3.996 11.692 5.537 1.00 0.00 H new ATOM 79 N LEU A 7 5.047 6.886 3.893 1.00 0.00 N ATOM 80 CA LEU A 7 5.841 5.750 4.353 1.00 0.00 C ATOM 81 C LEU A 7 6.836 5.311 3.286 1.00 0.00 C ATOM 82 O LEU A 7 6.631 5.548 2.095 1.00 0.00 O ATOM 83 CB LEU A 7 4.933 4.575 4.727 1.00 0.00 C ATOM 84 CG LEU A 7 3.582 4.961 5.332 1.00 0.00 C ATOM 85 CD1 LEU A 7 2.806 3.718 5.740 1.00 0.00 C ATOM 86 CD2 LEU A 7 3.777 5.885 6.525 1.00 0.00 C ATOM 0 H LEU A 7 4.125 6.640 3.533 1.00 0.00 H new ATOM 0 HA LEU A 7 6.395 6.068 5.236 1.00 0.00 H new ATOM 0 HB2 LEU A 7 4.755 3.976 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 7 5.462 3.939 5.437 1.00 0.00 H new ATOM 0 HG LEU A 7 3.005 5.493 4.576 1.00 0.00 H new ATOM 0 HD11 LEU A 7 1.848 4.012 6.168 1.00 0.00 H new ATOM 0 HD12 LEU A 7 2.635 3.092 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 7 3.378 3.159 6.480 1.00 0.00 H new ATOM 0 HD21 LEU A 7 2.806 6.150 6.943 1.00 0.00 H new ATOM 0 HD22 LEU A 7 4.373 5.378 7.284 1.00 0.00 H new ATOM 0 HD23 LEU A 7 4.292 6.790 6.204 1.00 0.00 H new ATOM 98 N THR A 8 7.913 4.667 3.721 1.00 0.00 N ATOM 99 CA THR A 8 8.942 4.189 2.805 1.00 0.00 C ATOM 100 C THR A 8 8.459 2.959 2.048 1.00 0.00 C ATOM 101 O THR A 8 7.413 2.395 2.366 1.00 0.00 O ATOM 102 CB THR A 8 10.219 3.846 3.574 1.00 0.00 C ATOM 103 OG1 THR A 8 10.091 2.589 4.218 1.00 0.00 O ATOM 104 CG2 THR A 8 10.579 4.870 4.630 1.00 0.00 C ATOM 0 H THR A 8 8.096 4.464 4.704 1.00 0.00 H new ATOM 0 HA THR A 8 9.154 4.984 2.090 1.00 0.00 H new ATOM 0 HB THR A 8 11.012 3.830 2.826 1.00 0.00 H new ATOM 0 HG1 THR A 8 10.917 2.385 4.704 1.00 0.00 H new ATOM 0 HG21 THR A 8 11.494 4.564 5.136 1.00 0.00 H new ATOM 0 HG22 THR A 8 10.732 5.841 4.158 1.00 0.00 H new ATOM 0 HG23 THR A 8 9.770 4.943 5.356 1.00 0.00 H new ATOM 112 N VAL A 9 9.231 2.539 1.050 1.00 0.00 N ATOM 113 CA VAL A 9 8.878 1.365 0.263 1.00 0.00 C ATOM 114 C VAL A 9 8.810 0.132 1.154 1.00 0.00 C ATOM 115 O VAL A 9 7.899 -0.688 1.032 1.00 0.00 O ATOM 116 CB VAL A 9 9.890 1.120 -0.872 1.00 0.00 C ATOM 117 CG1 VAL A 9 9.443 -0.042 -1.748 1.00 0.00 C ATOM 118 CG2 VAL A 9 10.076 2.380 -1.703 1.00 0.00 C ATOM 0 H VAL A 9 10.100 2.992 0.769 1.00 0.00 H new ATOM 0 HA VAL A 9 7.900 1.551 -0.181 1.00 0.00 H new ATOM 0 HB VAL A 9 10.850 0.860 -0.426 1.00 0.00 H new ATOM 0 HG11 VAL A 9 10.171 -0.199 -2.544 1.00 0.00 H new ATOM 0 HG12 VAL A 9 9.366 -0.945 -1.143 1.00 0.00 H new ATOM 0 HG13 VAL A 9 8.471 0.185 -2.185 1.00 0.00 H new ATOM 0 HG21 VAL A 9 10.794 2.188 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 9 9.121 2.673 -2.139 1.00 0.00 H new ATOM 0 HG23 VAL A 9 10.446 3.184 -1.067 1.00 0.00 H new ATOM 128 N VAL A 10 9.775 0.015 2.060 1.00 0.00 N ATOM 129 CA VAL A 10 9.819 -1.108 2.985 1.00 0.00 C ATOM 130 C VAL A 10 8.620 -1.074 3.923 1.00 0.00 C ATOM 131 O VAL A 10 8.017 -2.105 4.220 1.00 0.00 O ATOM 132 CB VAL A 10 11.113 -1.103 3.820 1.00 0.00 C ATOM 133 CG1 VAL A 10 11.233 -2.385 4.629 1.00 0.00 C ATOM 134 CG2 VAL A 10 12.327 -0.915 2.922 1.00 0.00 C ATOM 0 H VAL A 10 10.536 0.685 2.172 1.00 0.00 H new ATOM 0 HA VAL A 10 9.793 -2.019 2.387 1.00 0.00 H new ATOM 0 HB VAL A 10 11.071 -0.265 4.516 1.00 0.00 H new ATOM 0 HG11 VAL A 10 12.154 -2.362 5.212 1.00 0.00 H new ATOM 0 HG12 VAL A 10 10.380 -2.472 5.301 1.00 0.00 H new ATOM 0 HG13 VAL A 10 11.252 -3.241 3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 10 13.232 -0.914 3.529 1.00 0.00 H new ATOM 0 HG22 VAL A 10 12.375 -1.730 2.200 1.00 0.00 H new ATOM 0 HG23 VAL A 10 12.244 0.034 2.392 1.00 0.00 H new ATOM 144 N GLN A 11 8.272 0.127 4.381 1.00 0.00 N ATOM 145 CA GLN A 11 7.137 0.302 5.278 1.00 0.00 C ATOM 146 C GLN A 11 5.837 -0.038 4.559 1.00 0.00 C ATOM 147 O GLN A 11 4.985 -0.749 5.094 1.00 0.00 O ATOM 148 CB GLN A 11 7.087 1.739 5.801 1.00 0.00 C ATOM 149 CG GLN A 11 7.884 1.950 7.078 1.00 0.00 C ATOM 150 CD GLN A 11 7.951 3.408 7.487 1.00 0.00 C ATOM 151 OE1 GLN A 11 8.041 4.299 6.642 1.00 0.00 O ATOM 152 NE2 GLN A 11 7.909 3.660 8.791 1.00 0.00 N ATOM 0 H GLN A 11 8.760 0.991 4.145 1.00 0.00 H new ATOM 0 HA GLN A 11 7.258 -0.374 6.124 1.00 0.00 H new ATOM 0 HB2 GLN A 11 7.466 2.410 5.031 1.00 0.00 H new ATOM 0 HB3 GLN A 11 6.048 2.015 5.981 1.00 0.00 H new ATOM 0 HG2 GLN A 11 7.433 1.370 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.895 1.568 6.938 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.834 2.891 9.457 1.00 0.00 H new ATOM 0 HE22 GLN A 11 7.952 4.622 9.126 1.00 0.00 H new ATOM 161 N LEU A 12 5.696 0.470 3.339 1.00 0.00 N ATOM 162 CA LEU A 12 4.506 0.217 2.538 1.00 0.00 C ATOM 163 C LEU A 12 4.377 -1.269 2.224 1.00 0.00 C ATOM 164 O LEU A 12 3.276 -1.819 2.204 1.00 0.00 O ATOM 165 CB LEU A 12 4.561 1.023 1.240 1.00 0.00 C ATOM 166 CG LEU A 12 4.007 2.444 1.335 1.00 0.00 C ATOM 167 CD1 LEU A 12 4.313 3.222 0.065 1.00 0.00 C ATOM 168 CD2 LEU A 12 2.509 2.415 1.598 1.00 0.00 C ATOM 0 H LEU A 12 6.393 1.060 2.884 1.00 0.00 H new ATOM 0 HA LEU A 12 3.633 0.528 3.112 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.597 1.075 0.907 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.006 0.484 0.472 1.00 0.00 H new ATOM 0 HG LEU A 12 4.492 2.948 2.171 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.911 4.231 0.151 1.00 0.00 H new ATOM 0 HD12 LEU A 12 5.392 3.272 -0.080 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.856 2.721 -0.788 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.131 3.435 1.663 1.00 0.00 H new ATOM 0 HD22 LEU A 12 2.007 1.893 0.784 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.314 1.896 2.536 1.00 0.00 H new ATOM 180 N LYS A 13 5.514 -1.913 1.981 1.00 0.00 N ATOM 181 CA LYS A 13 5.535 -3.337 1.669 1.00 0.00 C ATOM 182 C LYS A 13 5.065 -4.159 2.864 1.00 0.00 C ATOM 183 O LYS A 13 4.310 -5.119 2.712 1.00 0.00 O ATOM 184 CB LYS A 13 6.943 -3.771 1.257 1.00 0.00 C ATOM 185 CG LYS A 13 7.186 -3.703 -0.242 1.00 0.00 C ATOM 186 CD LYS A 13 8.646 -3.956 -0.582 1.00 0.00 C ATOM 187 CE LYS A 13 8.804 -4.491 -1.996 1.00 0.00 C ATOM 188 NZ LYS A 13 9.942 -5.446 -2.104 1.00 0.00 N ATOM 0 H LYS A 13 6.433 -1.471 1.994 1.00 0.00 H new ATOM 0 HA LYS A 13 4.853 -3.513 0.837 1.00 0.00 H new ATOM 0 HB2 LYS A 13 7.672 -3.139 1.764 1.00 0.00 H new ATOM 0 HB3 LYS A 13 7.114 -4.792 1.599 1.00 0.00 H new ATOM 0 HG2 LYS A 13 6.561 -4.440 -0.747 1.00 0.00 H new ATOM 0 HG3 LYS A 13 6.889 -2.723 -0.616 1.00 0.00 H new ATOM 0 HD2 LYS A 13 9.211 -3.030 -0.477 1.00 0.00 H new ATOM 0 HD3 LYS A 13 9.068 -4.669 0.127 1.00 0.00 H new ATOM 0 HE2 LYS A 13 7.883 -4.988 -2.301 1.00 0.00 H new ATOM 0 HE3 LYS A 13 8.961 -3.660 -2.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 10.016 -5.788 -3.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 10.825 -4.966 -1.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 9.780 -6.252 -1.467 1.00 0.00 H new ATOM 202 N ASP A 14 5.514 -3.773 4.055 1.00 0.00 N ATOM 203 CA ASP A 14 5.135 -4.473 5.276 1.00 0.00 C ATOM 204 C ASP A 14 3.633 -4.366 5.509 1.00 0.00 C ATOM 205 O ASP A 14 2.967 -5.360 5.807 1.00 0.00 O ATOM 206 CB ASP A 14 5.892 -3.899 6.475 1.00 0.00 C ATOM 207 CG ASP A 14 6.090 -4.921 7.577 1.00 0.00 C ATOM 208 OD1 ASP A 14 5.638 -4.666 8.713 1.00 0.00 O ATOM 209 OD2 ASP A 14 6.698 -5.978 7.304 1.00 0.00 O ATOM 0 H ASP A 14 6.140 -2.980 4.199 1.00 0.00 H new ATOM 0 HA ASP A 14 5.397 -5.525 5.163 1.00 0.00 H new ATOM 0 HB2 ASP A 14 6.864 -3.531 6.145 1.00 0.00 H new ATOM 0 HB3 ASP A 14 5.345 -3.043 6.871 1.00 0.00 H new ATOM 214 N LEU A 15 3.104 -3.155 5.367 1.00 0.00 N ATOM 215 CA LEU A 15 1.679 -2.918 5.556 1.00 0.00 C ATOM 216 C LEU A 15 0.861 -3.729 4.558 1.00 0.00 C ATOM 217 O LEU A 15 -0.195 -4.265 4.893 1.00 0.00 O ATOM 218 CB LEU A 15 1.365 -1.428 5.407 1.00 0.00 C ATOM 219 CG LEU A 15 1.340 -0.636 6.715 1.00 0.00 C ATOM 220 CD1 LEU A 15 0.950 0.811 6.457 1.00 0.00 C ATOM 221 CD2 LEU A 15 0.384 -1.278 7.708 1.00 0.00 C ATOM 0 H LEU A 15 3.641 -2.323 5.122 1.00 0.00 H new ATOM 0 HA LEU A 15 1.409 -3.237 6.563 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.106 -0.981 4.744 1.00 0.00 H new ATOM 0 HB3 LEU A 15 0.396 -1.324 4.919 1.00 0.00 H new ATOM 0 HG LEU A 15 2.342 -0.649 7.144 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.938 1.358 7.400 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.673 1.268 5.782 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.041 0.846 6.005 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.379 -0.701 8.633 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.621 -1.296 7.286 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.708 -2.297 7.918 1.00 0.00 H new ATOM 233 N LEU A 16 1.361 -3.818 3.332 1.00 0.00 N ATOM 234 CA LEU A 16 0.686 -4.566 2.283 1.00 0.00 C ATOM 235 C LEU A 16 0.603 -6.043 2.648 1.00 0.00 C ATOM 236 O LEU A 16 -0.451 -6.666 2.522 1.00 0.00 O ATOM 237 CB LEU A 16 1.428 -4.393 0.958 1.00 0.00 C ATOM 238 CG LEU A 16 1.262 -3.023 0.297 1.00 0.00 C ATOM 239 CD1 LEU A 16 2.463 -2.704 -0.582 1.00 0.00 C ATOM 240 CD2 LEU A 16 -0.025 -2.976 -0.514 1.00 0.00 C ATOM 0 H LEU A 16 2.235 -3.379 3.041 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.327 -4.179 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 16 2.490 -4.571 1.128 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.083 -5.159 0.263 1.00 0.00 H new ATOM 0 HG LEU A 16 1.202 -2.267 1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.327 -1.726 -1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 16 3.367 -2.695 0.027 1.00 0.00 H new ATOM 0 HD13 LEU A 16 2.556 -3.462 -1.360 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -0.127 -1.995 -0.977 1.00 0.00 H new ATOM 0 HD22 LEU A 16 0.005 -3.742 -1.289 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -0.876 -3.158 0.143 1.00 0.00 H new ATOM 252 N THR A 17 1.717 -6.598 3.112 1.00 0.00 N ATOM 253 CA THR A 17 1.757 -8.001 3.504 1.00 0.00 C ATOM 254 C THR A 17 0.737 -8.269 4.601 1.00 0.00 C ATOM 255 O THR A 17 0.012 -9.264 4.565 1.00 0.00 O ATOM 256 CB THR A 17 3.160 -8.382 3.984 1.00 0.00 C ATOM 257 OG1 THR A 17 3.859 -7.240 4.447 1.00 0.00 O ATOM 258 CG2 THR A 17 4.004 -9.031 2.908 1.00 0.00 C ATOM 0 H THR A 17 2.600 -6.100 3.225 1.00 0.00 H new ATOM 0 HA THR A 17 1.509 -8.611 2.636 1.00 0.00 H new ATOM 0 HB THR A 17 3.005 -9.103 4.787 1.00 0.00 H new ATOM 0 HG1 THR A 17 3.465 -6.935 5.291 1.00 0.00 H new ATOM 0 HG21 THR A 17 4.986 -9.276 3.314 1.00 0.00 H new ATOM 0 HG22 THR A 17 3.516 -9.943 2.563 1.00 0.00 H new ATOM 0 HG23 THR A 17 4.119 -8.342 2.071 1.00 0.00 H new ATOM 266 N LYS A 18 0.677 -7.362 5.568 1.00 0.00 N ATOM 267 CA LYS A 18 -0.265 -7.482 6.672 1.00 0.00 C ATOM 268 C LYS A 18 -1.697 -7.295 6.178 1.00 0.00 C ATOM 269 O LYS A 18 -2.641 -7.825 6.765 1.00 0.00 O ATOM 270 CB LYS A 18 0.056 -6.452 7.758 1.00 0.00 C ATOM 271 CG LYS A 18 0.557 -7.069 9.053 1.00 0.00 C ATOM 272 CD LYS A 18 1.494 -6.129 9.793 1.00 0.00 C ATOM 273 CE LYS A 18 1.983 -6.741 11.096 1.00 0.00 C ATOM 274 NZ LYS A 18 2.811 -5.786 11.882 1.00 0.00 N ATOM 0 H LYS A 18 1.271 -6.534 5.609 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.172 -8.482 7.096 1.00 0.00 H new ATOM 0 HB2 LYS A 18 0.809 -5.760 7.380 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -0.839 -5.866 7.967 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.291 -7.316 9.692 1.00 0.00 H new ATOM 0 HG3 LYS A 18 1.075 -8.003 8.836 1.00 0.00 H new ATOM 0 HD2 LYS A 18 2.348 -5.891 9.159 1.00 0.00 H new ATOM 0 HD3 LYS A 18 0.980 -5.191 10.001 1.00 0.00 H new ATOM 0 HE2 LYS A 18 1.127 -7.056 11.693 1.00 0.00 H new ATOM 0 HE3 LYS A 18 2.567 -7.636 10.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 3.125 -6.242 12.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 3.642 -5.505 11.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 2.246 -4.943 12.110 1.00 0.00 H new ATOM 288 N ARG A 19 -1.851 -6.534 5.096 1.00 0.00 N ATOM 289 CA ARG A 19 -3.167 -6.274 4.524 1.00 0.00 C ATOM 290 C ARG A 19 -3.512 -7.280 3.423 1.00 0.00 C ATOM 291 O ARG A 19 -4.621 -7.267 2.889 1.00 0.00 O ATOM 292 CB ARG A 19 -3.219 -4.849 3.964 1.00 0.00 C ATOM 293 CG ARG A 19 -4.014 -3.885 4.830 1.00 0.00 C ATOM 294 CD ARG A 19 -3.564 -2.447 4.622 1.00 0.00 C ATOM 295 NE ARG A 19 -3.284 -1.772 5.886 1.00 0.00 N ATOM 296 CZ ARG A 19 -4.225 -1.265 6.681 1.00 0.00 C ATOM 297 NH1 ARG A 19 -5.506 -1.354 6.346 1.00 0.00 N ATOM 298 NH2 ARG A 19 -3.884 -0.668 7.815 1.00 0.00 N ATOM 0 H ARG A 19 -1.080 -6.088 4.599 1.00 0.00 H new ATOM 0 HA ARG A 19 -3.905 -6.383 5.319 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -2.202 -4.473 3.855 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -3.658 -4.875 2.967 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -5.075 -3.973 4.595 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -3.897 -4.156 5.879 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -2.670 -2.434 3.998 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -4.337 -1.900 4.083 1.00 0.00 H new ATOM 0 HE ARG A 19 -2.311 -1.683 6.177 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -5.775 -1.813 5.475 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -6.222 -0.964 6.959 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -2.901 -0.597 8.078 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -4.605 -0.280 8.424 1.00 0.00 H new ATOM 312 N ASN A 20 -2.562 -8.151 3.089 1.00 0.00 N ATOM 313 CA ASN A 20 -2.777 -9.157 2.055 1.00 0.00 C ATOM 314 C ASN A 20 -3.020 -8.502 0.697 1.00 0.00 C ATOM 315 O ASN A 20 -3.916 -8.901 -0.046 1.00 0.00 O ATOM 316 CB ASN A 20 -3.963 -10.051 2.423 1.00 0.00 C ATOM 317 CG ASN A 20 -3.822 -10.659 3.805 1.00 0.00 C ATOM 318 OD1 ASN A 20 -4.330 -10.119 4.788 1.00 0.00 O ATOM 319 ND2 ASN A 20 -3.128 -11.788 3.887 1.00 0.00 N ATOM 0 H ASN A 20 -1.638 -8.179 3.519 1.00 0.00 H new ATOM 0 HA ASN A 20 -1.877 -9.768 1.986 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -4.882 -9.467 2.378 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -4.056 -10.849 1.686 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -2.999 -12.243 4.791 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -2.724 -12.201 3.046 1.00 0.00 H new ATOM 326 N LEU A 21 -2.215 -7.494 0.381 1.00 0.00 N ATOM 327 CA LEU A 21 -2.342 -6.782 -0.887 1.00 0.00 C ATOM 328 C LEU A 21 -1.175 -7.109 -1.815 1.00 0.00 C ATOM 329 O LEU A 21 -0.153 -7.641 -1.380 1.00 0.00 O ATOM 330 CB LEU A 21 -2.410 -5.274 -0.643 1.00 0.00 C ATOM 331 CG LEU A 21 -3.693 -4.784 0.031 1.00 0.00 C ATOM 332 CD1 LEU A 21 -3.591 -3.303 0.361 1.00 0.00 C ATOM 333 CD2 LEU A 21 -4.897 -5.053 -0.857 1.00 0.00 C ATOM 0 H LEU A 21 -1.468 -7.151 0.984 1.00 0.00 H new ATOM 0 HA LEU A 21 -3.265 -7.107 -1.368 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -1.560 -4.982 -0.026 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -2.301 -4.761 -1.599 1.00 0.00 H new ATOM 0 HG LEU A 21 -3.824 -5.334 0.963 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -4.513 -2.973 0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -2.752 -3.138 1.037 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.435 -2.736 -0.557 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -5.801 -4.698 -0.362 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -4.774 -4.530 -1.805 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -4.981 -6.124 -1.041 1.00 0.00 H new ATOM 345 N SER A 22 -1.335 -6.788 -3.095 1.00 0.00 N ATOM 346 CA SER A 22 -0.297 -7.048 -4.086 1.00 0.00 C ATOM 347 C SER A 22 0.927 -6.173 -3.837 1.00 0.00 C ATOM 348 O SER A 22 0.843 -4.945 -3.872 1.00 0.00 O ATOM 349 CB SER A 22 -0.836 -6.801 -5.496 1.00 0.00 C ATOM 350 OG SER A 22 -1.959 -7.623 -5.764 1.00 0.00 O ATOM 0 H SER A 22 -2.175 -6.347 -3.470 1.00 0.00 H new ATOM 0 HA SER A 22 0.002 -8.092 -3.996 1.00 0.00 H new ATOM 0 HB2 SER A 22 -1.115 -5.753 -5.604 1.00 0.00 H new ATOM 0 HB3 SER A 22 -0.053 -7.000 -6.228 1.00 0.00 H new ATOM 0 HG SER A 22 -2.286 -7.445 -6.671 1.00 0.00 H new ATOM 356 N VAL A 23 2.065 -6.812 -3.586 1.00 0.00 N ATOM 357 CA VAL A 23 3.308 -6.092 -3.330 1.00 0.00 C ATOM 358 C VAL A 23 4.259 -6.176 -4.522 1.00 0.00 C ATOM 359 O VAL A 23 5.461 -5.948 -4.382 1.00 0.00 O ATOM 360 CB VAL A 23 4.024 -6.637 -2.080 1.00 0.00 C ATOM 361 CG1 VAL A 23 3.199 -6.368 -0.832 1.00 0.00 C ATOM 362 CG2 VAL A 23 4.307 -8.123 -2.233 1.00 0.00 C ATOM 0 H VAL A 23 2.152 -7.828 -3.554 1.00 0.00 H new ATOM 0 HA VAL A 23 3.036 -5.050 -3.163 1.00 0.00 H new ATOM 0 HB VAL A 23 4.977 -6.119 -1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 23 3.721 -6.760 0.041 1.00 0.00 H new ATOM 0 HG12 VAL A 23 3.054 -5.294 -0.716 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.229 -6.857 -0.925 1.00 0.00 H new ATOM 0 HG21 VAL A 23 4.813 -8.491 -1.340 1.00 0.00 H new ATOM 0 HG22 VAL A 23 3.368 -8.660 -2.365 1.00 0.00 H new ATOM 0 HG23 VAL A 23 4.943 -8.285 -3.103 1.00 0.00 H new ATOM 372 N GLY A 24 3.718 -6.506 -5.692 1.00 0.00 N ATOM 373 CA GLY A 24 4.544 -6.613 -6.882 1.00 0.00 C ATOM 374 C GLY A 24 4.433 -5.399 -7.788 1.00 0.00 C ATOM 375 O GLY A 24 4.859 -5.440 -8.942 1.00 0.00 O ATOM 0 H GLY A 24 2.727 -6.700 -5.837 1.00 0.00 H new ATOM 0 HA2 GLY A 24 5.585 -6.745 -6.586 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.256 -7.504 -7.440 1.00 0.00 H new ATOM 379 N GLY A 25 3.864 -4.316 -7.267 1.00 0.00 N ATOM 380 CA GLY A 25 3.715 -3.106 -8.057 1.00 0.00 C ATOM 381 C GLY A 25 4.654 -2.003 -7.611 1.00 0.00 C ATOM 382 O GLY A 25 5.343 -2.135 -6.600 1.00 0.00 O ATOM 0 H GLY A 25 3.504 -4.254 -6.315 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.901 -3.336 -9.106 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.686 -2.754 -7.986 1.00 0.00 H new ATOM 386 N LEU A 26 4.682 -0.909 -8.366 1.00 0.00 N ATOM 387 CA LEU A 26 5.542 0.223 -8.041 1.00 0.00 C ATOM 388 C LEU A 26 5.061 0.915 -6.770 1.00 0.00 C ATOM 389 O LEU A 26 3.927 0.715 -6.337 1.00 0.00 O ATOM 390 CB LEU A 26 5.572 1.221 -9.201 1.00 0.00 C ATOM 391 CG LEU A 26 5.820 0.605 -10.579 1.00 0.00 C ATOM 392 CD1 LEU A 26 5.119 1.414 -11.659 1.00 0.00 C ATOM 393 CD2 LEU A 26 7.312 0.514 -10.861 1.00 0.00 C ATOM 0 H LEU A 26 4.119 -0.783 -9.207 1.00 0.00 H new ATOM 0 HA LEU A 26 6.551 -0.153 -7.873 1.00 0.00 H new ATOM 0 HB2 LEU A 26 4.623 1.756 -9.225 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.349 1.960 -9.005 1.00 0.00 H new ATOM 0 HG LEU A 26 5.407 -0.404 -10.585 1.00 0.00 H new ATOM 0 HD11 LEU A 26 5.307 0.961 -12.632 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.046 1.427 -11.465 1.00 0.00 H new ATOM 0 HD13 LEU A 26 5.501 2.435 -11.654 1.00 0.00 H new ATOM 0 HD21 LEU A 26 7.470 0.073 -11.845 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.749 1.512 -10.836 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.788 -0.109 -10.104 1.00 0.00 H new ATOM 405 N LYS A 27 5.930 1.730 -6.175 1.00 0.00 N ATOM 406 CA LYS A 27 5.591 2.451 -4.949 1.00 0.00 C ATOM 407 C LYS A 27 4.230 3.132 -5.068 1.00 0.00 C ATOM 408 O LYS A 27 3.358 2.953 -4.217 1.00 0.00 O ATOM 409 CB LYS A 27 6.667 3.491 -4.630 1.00 0.00 C ATOM 410 CG LYS A 27 6.855 3.736 -3.143 1.00 0.00 C ATOM 411 CD LYS A 27 7.642 5.010 -2.884 1.00 0.00 C ATOM 412 CE LYS A 27 7.103 5.762 -1.677 1.00 0.00 C ATOM 413 NZ LYS A 27 7.897 5.484 -0.448 1.00 0.00 N ATOM 0 H LYS A 27 6.873 1.908 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 27 5.541 1.725 -4.137 1.00 0.00 H new ATOM 0 HB2 LYS A 27 7.615 3.164 -5.058 1.00 0.00 H new ATOM 0 HB3 LYS A 27 6.406 4.432 -5.114 1.00 0.00 H new ATOM 0 HG2 LYS A 27 5.881 3.804 -2.658 1.00 0.00 H new ATOM 0 HG3 LYS A 27 7.375 2.889 -2.696 1.00 0.00 H new ATOM 0 HD2 LYS A 27 8.691 4.764 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.597 5.652 -3.764 1.00 0.00 H new ATOM 0 HE2 LYS A 27 7.114 6.833 -1.882 1.00 0.00 H new ATOM 0 HE3 LYS A 27 6.063 5.481 -1.509 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 7.278 5.541 0.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 8.309 4.531 -0.509 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 8.660 6.186 -0.361 1.00 0.00 H new ATOM 427 N ASN A 28 4.053 3.905 -6.133 1.00 0.00 N ATOM 428 CA ASN A 28 2.795 4.604 -6.368 1.00 0.00 C ATOM 429 C ASN A 28 1.636 3.614 -6.441 1.00 0.00 C ATOM 430 O ASN A 28 0.517 3.916 -6.021 1.00 0.00 O ATOM 431 CB ASN A 28 2.870 5.417 -7.663 1.00 0.00 C ATOM 432 CG ASN A 28 1.928 6.604 -7.656 1.00 0.00 C ATOM 433 OD1 ASN A 28 2.356 7.751 -7.528 1.00 0.00 O ATOM 434 ND2 ASN A 28 0.635 6.334 -7.794 1.00 0.00 N ATOM 0 H ASN A 28 4.764 4.064 -6.847 1.00 0.00 H new ATOM 0 HA ASN A 28 2.622 5.284 -5.534 1.00 0.00 H new ATOM 0 HB2 ASN A 28 3.891 5.768 -7.809 1.00 0.00 H new ATOM 0 HB3 ASN A 28 2.631 4.772 -8.508 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -0.047 7.093 -7.797 1.00 0.00 H new ATOM 0 HD22 ASN A 28 0.324 5.368 -7.897 1.00 0.00 H new ATOM 441 N GLU A 29 1.918 2.427 -6.969 1.00 0.00 N ATOM 442 CA GLU A 29 0.908 1.387 -7.091 1.00 0.00 C ATOM 443 C GLU A 29 0.517 0.875 -5.713 1.00 0.00 C ATOM 444 O GLU A 29 -0.643 0.550 -5.464 1.00 0.00 O ATOM 445 CB GLU A 29 1.427 0.235 -7.955 1.00 0.00 C ATOM 446 CG GLU A 29 0.905 0.263 -9.383 1.00 0.00 C ATOM 447 CD GLU A 29 -0.539 -0.187 -9.484 1.00 0.00 C ATOM 448 OE1 GLU A 29 -1.226 0.231 -10.440 1.00 0.00 O ATOM 449 OE2 GLU A 29 -0.983 -0.959 -8.608 1.00 0.00 O ATOM 0 H GLU A 29 2.839 2.163 -7.319 1.00 0.00 H new ATOM 0 HA GLU A 29 0.028 1.812 -7.573 1.00 0.00 H new ATOM 0 HB2 GLU A 29 2.516 0.268 -7.974 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.145 -0.711 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 29 0.995 1.274 -9.779 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.527 -0.380 -10.006 1.00 0.00 H new ATOM 456 N LEU A 30 1.498 0.813 -4.821 1.00 0.00 N ATOM 457 CA LEU A 30 1.267 0.348 -3.462 1.00 0.00 C ATOM 458 C LEU A 30 0.363 1.315 -2.705 1.00 0.00 C ATOM 459 O LEU A 30 -0.582 0.899 -2.036 1.00 0.00 O ATOM 460 CB LEU A 30 2.599 0.197 -2.722 1.00 0.00 C ATOM 461 CG LEU A 30 3.714 -0.499 -3.506 1.00 0.00 C ATOM 462 CD1 LEU A 30 4.877 -0.840 -2.587 1.00 0.00 C ATOM 463 CD2 LEU A 30 3.191 -1.753 -4.191 1.00 0.00 C ATOM 0 H LEU A 30 2.463 1.080 -5.016 1.00 0.00 H new ATOM 0 HA LEU A 30 0.773 -0.622 -3.514 1.00 0.00 H new ATOM 0 HB2 LEU A 30 2.947 1.188 -2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 30 2.422 -0.361 -1.803 1.00 0.00 H new ATOM 0 HG LEU A 30 4.069 0.186 -4.275 1.00 0.00 H new ATOM 0 HD11 LEU A 30 5.661 -1.334 -3.161 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.272 0.075 -2.146 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.532 -1.505 -1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.001 -2.231 -4.742 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.805 -2.443 -3.441 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.392 -1.484 -4.881 1.00 0.00 H new ATOM 475 N VAL A 31 0.662 2.606 -2.815 1.00 0.00 N ATOM 476 CA VAL A 31 -0.126 3.628 -2.138 1.00 0.00 C ATOM 477 C VAL A 31 -1.570 3.617 -2.622 1.00 0.00 C ATOM 478 O VAL A 31 -2.504 3.621 -1.821 1.00 0.00 O ATOM 479 CB VAL A 31 0.468 5.033 -2.358 1.00 0.00 C ATOM 480 CG1 VAL A 31 -0.258 6.062 -1.503 1.00 0.00 C ATOM 481 CG2 VAL A 31 1.961 5.037 -2.057 1.00 0.00 C ATOM 0 H VAL A 31 1.442 2.967 -3.365 1.00 0.00 H new ATOM 0 HA VAL A 31 -0.101 3.394 -1.074 1.00 0.00 H new ATOM 0 HB VAL A 31 0.331 5.303 -3.405 1.00 0.00 H new ATOM 0 HG11 VAL A 31 0.176 7.047 -1.673 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.314 6.079 -1.773 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -0.157 5.797 -0.451 1.00 0.00 H new ATOM 0 HG21 VAL A 31 2.362 6.038 -2.218 1.00 0.00 H new ATOM 0 HG22 VAL A 31 2.124 4.743 -1.020 1.00 0.00 H new ATOM 0 HG23 VAL A 31 2.467 4.333 -2.717 1.00 0.00 H new ATOM 491 N GLN A 32 -1.744 3.598 -3.937 1.00 0.00 N ATOM 492 CA GLN A 32 -3.077 3.580 -4.530 1.00 0.00 C ATOM 493 C GLN A 32 -3.816 2.296 -4.168 1.00 0.00 C ATOM 494 O GLN A 32 -5.035 2.300 -3.995 1.00 0.00 O ATOM 495 CB GLN A 32 -2.989 3.725 -6.049 1.00 0.00 C ATOM 496 CG GLN A 32 -2.260 2.576 -6.726 1.00 0.00 C ATOM 497 CD GLN A 32 -2.171 2.748 -8.230 1.00 0.00 C ATOM 498 OE1 GLN A 32 -2.511 1.843 -8.991 1.00 0.00 O ATOM 499 NE2 GLN A 32 -1.711 3.915 -8.666 1.00 0.00 N ATOM 0 H GLN A 32 -0.981 3.595 -4.613 1.00 0.00 H new ATOM 0 HA GLN A 32 -3.636 4.425 -4.128 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -3.997 3.797 -6.458 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -2.480 4.659 -6.288 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.255 2.495 -6.313 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -2.774 1.641 -6.501 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -1.440 4.638 -7.999 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -1.628 4.089 -9.668 1.00 0.00 H new ATOM 508 N ARG A 33 -3.075 1.197 -4.055 1.00 0.00 N ATOM 509 CA ARG A 33 -3.671 -0.088 -3.711 1.00 0.00 C ATOM 510 C ARG A 33 -4.254 -0.044 -2.304 1.00 0.00 C ATOM 511 O ARG A 33 -5.380 -0.483 -2.072 1.00 0.00 O ATOM 512 CB ARG A 33 -2.632 -1.207 -3.813 1.00 0.00 C ATOM 513 CG ARG A 33 -3.237 -2.583 -4.032 1.00 0.00 C ATOM 514 CD ARG A 33 -2.161 -3.650 -4.158 1.00 0.00 C ATOM 515 NE ARG A 33 -1.135 -3.283 -5.131 1.00 0.00 N ATOM 516 CZ ARG A 33 -1.278 -3.422 -6.447 1.00 0.00 C ATOM 517 NH1 ARG A 33 -2.403 -3.914 -6.952 1.00 0.00 N ATOM 518 NH2 ARG A 33 -0.294 -3.067 -7.262 1.00 0.00 N ATOM 0 H ARG A 33 -2.065 1.171 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 33 -4.475 -0.292 -4.419 1.00 0.00 H new ATOM 0 HB2 ARG A 33 -1.951 -0.984 -4.634 1.00 0.00 H new ATOM 0 HB3 ARG A 33 -2.037 -1.223 -2.900 1.00 0.00 H new ATOM 0 HG2 ARG A 33 -3.898 -2.828 -3.201 1.00 0.00 H new ATOM 0 HG3 ARG A 33 -3.849 -2.573 -4.934 1.00 0.00 H new ATOM 0 HD2 ARG A 33 -1.696 -3.812 -3.185 1.00 0.00 H new ATOM 0 HD3 ARG A 33 -2.620 -4.594 -4.454 1.00 0.00 H new ATOM 0 HE ARG A 33 -0.258 -2.898 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 33 -3.164 -4.188 -6.331 1.00 0.00 H new ATOM 0 HH12 ARG A 33 -2.506 -4.018 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG A 33 0.572 -2.687 -6.880 1.00 0.00 H new ATOM 0 HH22 ARG A 33 -0.404 -3.174 -8.270 1.00 0.00 H new ATOM 532 N LEU A 34 -3.485 0.507 -1.371 1.00 0.00 N ATOM 533 CA LEU A 34 -3.932 0.630 0.009 1.00 0.00 C ATOM 534 C LEU A 34 -5.087 1.618 0.094 1.00 0.00 C ATOM 535 O LEU A 34 -6.042 1.420 0.846 1.00 0.00 O ATOM 536 CB LEU A 34 -2.779 1.090 0.904 1.00 0.00 C ATOM 537 CG LEU A 34 -1.642 0.080 1.067 1.00 0.00 C ATOM 538 CD1 LEU A 34 -0.323 0.796 1.310 1.00 0.00 C ATOM 539 CD2 LEU A 34 -1.946 -0.883 2.206 1.00 0.00 C ATOM 0 H LEU A 34 -2.550 0.875 -1.547 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.272 -0.346 0.356 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -2.368 2.013 0.495 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.178 1.327 1.890 1.00 0.00 H new ATOM 0 HG LEU A 34 -1.555 -0.494 0.144 1.00 0.00 H new ATOM 0 HD11 LEU A 34 0.474 0.061 1.424 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.100 1.445 0.463 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -0.396 1.395 2.218 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.127 -1.595 2.309 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.059 -0.324 3.135 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.870 -1.421 1.991 1.00 0.00 H new ATOM 551 N ILE A 35 -4.989 2.682 -0.696 1.00 0.00 N ATOM 552 CA ILE A 35 -6.015 3.714 -0.738 1.00 0.00 C ATOM 553 C ILE A 35 -7.317 3.158 -1.310 1.00 0.00 C ATOM 554 O ILE A 35 -8.401 3.437 -0.798 1.00 0.00 O ATOM 555 CB ILE A 35 -5.545 4.919 -1.584 1.00 0.00 C ATOM 556 CG1 ILE A 35 -4.404 5.649 -0.872 1.00 0.00 C ATOM 557 CG2 ILE A 35 -6.695 5.876 -1.866 1.00 0.00 C ATOM 558 CD1 ILE A 35 -3.617 6.569 -1.780 1.00 0.00 C ATOM 0 H ILE A 35 -4.201 2.852 -1.321 1.00 0.00 H new ATOM 0 HA ILE A 35 -6.194 4.050 0.284 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.182 4.542 -2.540 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -4.814 6.230 -0.046 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -3.727 4.913 -0.438 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -6.333 6.713 -2.463 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -7.479 5.352 -2.413 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -7.097 6.249 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.825 7.053 -1.209 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -3.177 5.990 -2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -4.281 7.328 -2.194 1.00 0.00 H new ATOM 570 N LYS A 36 -7.200 2.370 -2.374 1.00 0.00 N ATOM 571 CA LYS A 36 -8.365 1.775 -3.018 1.00 0.00 C ATOM 572 C LYS A 36 -9.045 0.770 -2.092 1.00 0.00 C ATOM 573 O LYS A 36 -10.268 0.769 -1.951 1.00 0.00 O ATOM 574 CB LYS A 36 -7.959 1.088 -4.324 1.00 0.00 C ATOM 575 CG LYS A 36 -9.139 0.594 -5.144 1.00 0.00 C ATOM 576 CD LYS A 36 -8.748 0.351 -6.593 1.00 0.00 C ATOM 577 CE LYS A 36 -7.681 -0.726 -6.711 1.00 0.00 C ATOM 578 NZ LYS A 36 -8.238 -2.006 -7.230 1.00 0.00 N ATOM 0 H LYS A 36 -6.309 2.129 -2.809 1.00 0.00 H new ATOM 0 HA LYS A 36 -9.072 2.574 -3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.376 1.785 -4.925 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.309 0.244 -4.094 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -9.524 -0.329 -4.710 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.945 1.327 -5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -9.629 0.056 -7.164 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -8.380 1.278 -7.032 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -6.888 -0.380 -7.374 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -7.228 -0.897 -5.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -7.479 -2.714 -7.295 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -8.977 -2.350 -6.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -8.647 -1.849 -8.173 1.00 0.00 H new ATOM 592 N ASP A 37 -8.243 -0.083 -1.463 1.00 0.00 N ATOM 593 CA ASP A 37 -8.765 -1.093 -0.552 1.00 0.00 C ATOM 594 C ASP A 37 -9.495 -0.443 0.619 1.00 0.00 C ATOM 595 O ASP A 37 -10.569 -0.891 1.020 1.00 0.00 O ATOM 596 CB ASP A 37 -7.631 -1.979 -0.034 1.00 0.00 C ATOM 597 CG ASP A 37 -8.031 -3.440 0.052 1.00 0.00 C ATOM 598 OD1 ASP A 37 -8.124 -4.093 -1.008 1.00 0.00 O ATOM 599 OD2 ASP A 37 -8.251 -3.929 1.179 1.00 0.00 O ATOM 0 H ASP A 37 -7.228 -0.094 -1.568 1.00 0.00 H new ATOM 0 HA ASP A 37 -9.475 -1.710 -1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 37 -6.767 -1.880 -0.691 1.00 0.00 H new ATOM 0 HB3 ASP A 37 -7.323 -1.631 0.952 1.00 0.00 H new ATOM 604 N ASP A 38 -8.904 0.615 1.164 1.00 0.00 N ATOM 605 CA ASP A 38 -9.499 1.326 2.291 1.00 0.00 C ATOM 606 C ASP A 38 -10.783 2.031 1.870 1.00 0.00 C ATOM 607 O ASP A 38 -11.771 2.034 2.604 1.00 0.00 O ATOM 608 CB ASP A 38 -8.507 2.342 2.861 1.00 0.00 C ATOM 609 CG ASP A 38 -7.663 1.761 3.978 1.00 0.00 C ATOM 610 OD1 ASP A 38 -6.930 0.783 3.722 1.00 0.00 O ATOM 611 OD2 ASP A 38 -7.734 2.286 5.110 1.00 0.00 O ATOM 0 H ASP A 38 -8.015 0.999 0.844 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.743 0.596 3.063 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -7.855 2.696 2.063 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -9.053 3.208 3.235 1.00 0.00 H new ATOM 616 N GLU A 39 -10.759 2.629 0.685 1.00 0.00 N ATOM 617 CA GLU A 39 -11.921 3.339 0.164 1.00 0.00 C ATOM 618 C GLU A 39 -13.025 2.364 -0.229 1.00 0.00 C ATOM 619 O GLU A 39 -14.203 2.605 0.030 1.00 0.00 O ATOM 620 CB GLU A 39 -11.524 4.193 -1.041 1.00 0.00 C ATOM 621 CG GLU A 39 -11.038 5.584 -0.669 1.00 0.00 C ATOM 622 CD GLU A 39 -10.874 6.487 -1.874 1.00 0.00 C ATOM 623 OE1 GLU A 39 -11.886 7.066 -2.324 1.00 0.00 O ATOM 624 OE2 GLU A 39 -9.734 6.617 -2.369 1.00 0.00 O ATOM 0 H GLU A 39 -9.948 2.637 0.067 1.00 0.00 H new ATOM 0 HA GLU A 39 -12.301 3.989 0.952 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -10.739 3.680 -1.596 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -12.380 4.283 -1.709 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.744 6.037 0.026 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -10.084 5.504 -0.147 1.00 0.00 H new