USER MOD reduce.3.24.130724 H: found=0, std=0, add=426, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 427 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 35 THR OG1 : rot 180:sc= 0.192 USER MOD Set 1.2: A 37 ASN : amide:sc= 0 K(o=0.19,f=-1.1) USER MOD Set 2.1: A 19 SER OG : rot 125:sc= 0.318 USER MOD Set 2.2: A 21 THR OG1 : rot 99:sc= 0.417 USER MOD Set 3.1: A 16 SER OG : rot -173:sc= 0.641 USER MOD Set 3.2: A 46 SER OG : rot 150:sc= 0.57 USER MOD Single : A 3 CYS SG : rot 157:sc= -1.1 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 LYS NZ :NH3+ 176:sc= 0.981 (180deg=0.967) USER MOD Single : A 18 LYS NZ :NH3+ -179:sc= 1.65 (180deg=1.64) USER MOD Single : A 25 LYS NZ :NH3+ 163:sc= 1.03 (180deg=0.593) USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ -174:sc= 1.24 (180deg=1.18) USER MOD Single : A 41 THR OG1 : rot -90:sc= -0.0272 USER MOD Single : A 42 ASN : amide:sc= 1.03 K(o=1,f=-0.065) USER MOD ----------------------------------------------------------------- ATOM 18 N LEU A 2 -6.362 -1.085 -6.952 1.00 0.00 N ATOM 19 CA LEU A 2 -5.831 -2.385 -7.379 1.00 0.00 C ATOM 20 C LEU A 2 -4.416 -2.610 -6.829 1.00 0.00 C ATOM 21 O LEU A 2 -3.490 -1.873 -7.181 1.00 0.00 O ATOM 22 CB LEU A 2 -5.869 -2.429 -8.921 1.00 0.00 C ATOM 23 CG LEU A 2 -5.509 -3.800 -9.525 1.00 0.00 C ATOM 24 CD1 LEU A 2 -6.656 -4.794 -9.352 1.00 0.00 C ATOM 25 CD2 LEU A 2 -5.235 -3.660 -11.023 1.00 0.00 C ATOM 0 HA LEU A 2 -6.442 -3.195 -6.980 1.00 0.00 H new ATOM 0 HB2 LEU A 2 -6.867 -2.148 -9.256 1.00 0.00 H new ATOM 0 HB3 LEU A 2 -5.179 -1.681 -9.311 1.00 0.00 H new ATOM 0 HG LEU A 2 -4.624 -4.164 -9.004 1.00 0.00 H new ATOM 0 HD11 LEU A 2 -6.375 -5.753 -9.787 1.00 0.00 H new ATOM 0 HD12 LEU A 2 -6.867 -4.925 -8.291 1.00 0.00 H new ATOM 0 HD13 LEU A 2 -7.546 -4.414 -9.855 1.00 0.00 H new ATOM 0 HD21 LEU A 2 -4.982 -4.635 -11.439 1.00 0.00 H new ATOM 0 HD22 LEU A 2 -6.124 -3.273 -11.521 1.00 0.00 H new ATOM 0 HD23 LEU A 2 -4.404 -2.972 -11.178 1.00 0.00 H new ATOM 37 N CYS A 3 -4.236 -3.632 -5.978 1.00 0.00 N ATOM 38 CA CYS A 3 -2.993 -3.813 -5.243 1.00 0.00 C ATOM 39 C CYS A 3 -1.817 -4.217 -6.156 1.00 0.00 C ATOM 40 O CYS A 3 -1.968 -4.881 -7.180 1.00 0.00 O ATOM 41 CB CYS A 3 -3.306 -4.743 -4.050 1.00 0.00 C ATOM 42 SG CYS A 3 -1.854 -5.348 -3.161 1.00 0.00 S ATOM 0 H CYS A 3 -4.943 -4.343 -5.788 1.00 0.00 H new ATOM 0 HA CYS A 3 -2.620 -2.875 -4.831 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -3.947 -4.209 -3.349 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -3.875 -5.599 -4.414 1.00 0.00 H new ATOM 0 HG CYS A 3 -2.194 -5.685 -1.952 1.00 0.00 H new ATOM 48 N ALA A 4 -0.619 -3.777 -5.780 1.00 0.00 N ATOM 49 CA ALA A 4 0.623 -4.085 -6.498 1.00 0.00 C ATOM 50 C ALA A 4 1.257 -5.409 -6.038 1.00 0.00 C ATOM 51 O ALA A 4 2.030 -6.021 -6.778 1.00 0.00 O ATOM 52 CB ALA A 4 1.617 -2.934 -6.335 1.00 0.00 C ATOM 0 H ALA A 4 -0.478 -3.189 -4.959 1.00 0.00 H new ATOM 0 HA ALA A 4 0.369 -4.205 -7.551 1.00 0.00 H new ATOM 0 HB1 ALA A 4 2.537 -3.169 -6.870 1.00 0.00 H new ATOM 0 HB2 ALA A 4 1.184 -2.020 -6.741 1.00 0.00 H new ATOM 0 HB3 ALA A 4 1.839 -2.792 -5.277 1.00 0.00 H new ATOM 58 N ILE A 5 0.935 -5.845 -4.812 1.00 0.00 N ATOM 59 CA ILE A 5 1.498 -7.051 -4.198 1.00 0.00 C ATOM 60 C ILE A 5 0.746 -8.313 -4.660 1.00 0.00 C ATOM 61 O ILE A 5 1.384 -9.304 -5.022 1.00 0.00 O ATOM 62 CB ILE A 5 1.531 -6.896 -2.660 1.00 0.00 C ATOM 63 CG1 ILE A 5 2.561 -5.844 -2.189 1.00 0.00 C ATOM 64 CG2 ILE A 5 1.896 -8.258 -2.030 1.00 0.00 C ATOM 65 CD1 ILE A 5 1.969 -4.440 -2.035 1.00 0.00 C ATOM 0 H ILE A 5 0.266 -5.361 -4.212 1.00 0.00 H new ATOM 0 HA ILE A 5 2.528 -7.176 -4.532 1.00 0.00 H new ATOM 0 HB ILE A 5 0.544 -6.558 -2.344 1.00 0.00 H new ATOM 0 HG12 ILE A 5 2.981 -6.160 -1.234 1.00 0.00 H new ATOM 0 HG13 ILE A 5 3.384 -5.807 -2.903 1.00 0.00 H new ATOM 0 HG21 ILE A 5 1.922 -8.161 -0.945 1.00 0.00 H new ATOM 0 HG22 ILE A 5 1.149 -9.000 -2.310 1.00 0.00 H new ATOM 0 HG23 ILE A 5 2.875 -8.575 -2.390 1.00 0.00 H new ATOM 0 HD11 ILE A 5 2.746 -3.752 -1.702 1.00 0.00 H new ATOM 0 HD12 ILE A 5 1.574 -4.105 -2.994 1.00 0.00 H new ATOM 0 HD13 ILE A 5 1.165 -4.463 -1.299 1.00 0.00 H new ATOM 77 N SER A 6 -0.594 -8.282 -4.677 1.00 0.00 N ATOM 78 CA SER A 6 -1.433 -9.386 -5.188 1.00 0.00 C ATOM 79 C SER A 6 -2.425 -8.928 -6.247 1.00 0.00 C ATOM 80 O SER A 6 -2.613 -9.604 -7.263 1.00 0.00 O ATOM 81 CB SER A 6 -2.150 -10.134 -4.062 1.00 0.00 C ATOM 82 OG SER A 6 -2.773 -11.311 -4.547 1.00 0.00 O ATOM 0 H SER A 6 -1.134 -7.487 -4.335 1.00 0.00 H new ATOM 0 HA SER A 6 -0.745 -10.082 -5.668 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.436 -10.393 -3.281 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.898 -9.484 -3.608 1.00 0.00 H new ATOM 0 HG SER A 6 -3.223 -11.771 -3.808 1.00 0.00 H new ATOM 88 N GLY A 7 -3.025 -7.751 -6.040 1.00 0.00 N ATOM 89 CA GLY A 7 -3.987 -7.187 -6.983 1.00 0.00 C ATOM 90 C GLY A 7 -5.431 -7.547 -6.680 1.00 0.00 C ATOM 91 O GLY A 7 -6.310 -7.478 -7.541 1.00 0.00 O ATOM 0 H GLY A 7 -2.857 -7.169 -5.219 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -3.886 -6.102 -6.984 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.740 -7.531 -7.987 1.00 0.00 H new ATOM 95 N LYS A 8 -5.652 -7.940 -5.429 1.00 0.00 N ATOM 96 CA LYS A 8 -6.974 -8.172 -4.842 1.00 0.00 C ATOM 97 C LYS A 8 -7.648 -6.845 -4.463 1.00 0.00 C ATOM 98 O LYS A 8 -6.984 -5.806 -4.417 1.00 0.00 O ATOM 99 CB LYS A 8 -6.794 -9.150 -3.669 1.00 0.00 C ATOM 100 CG LYS A 8 -6.314 -8.506 -2.362 1.00 0.00 C ATOM 101 CD LYS A 8 -6.270 -9.542 -1.235 1.00 0.00 C ATOM 102 CE LYS A 8 -5.871 -8.802 0.038 1.00 0.00 C ATOM 103 NZ LYS A 8 -5.927 -9.656 1.249 1.00 0.00 N ATOM 0 H LYS A 8 -4.892 -8.112 -4.771 1.00 0.00 H new ATOM 0 HA LYS A 8 -7.658 -8.627 -5.559 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -7.744 -9.651 -3.483 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -6.080 -9.919 -3.962 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -5.323 -8.074 -2.505 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -6.981 -7.689 -2.086 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -7.242 -10.021 -1.114 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -5.552 -10.330 -1.464 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -4.860 -8.412 -0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -6.530 -7.945 0.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -5.581 -9.118 2.069 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.909 -9.953 1.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.330 -10.496 1.109 1.00 0.00 H new ATOM 117 N VAL A 9 -8.943 -6.877 -4.140 1.00 0.00 N ATOM 118 CA VAL A 9 -9.671 -5.735 -3.551 1.00 0.00 C ATOM 119 C VAL A 9 -9.232 -5.575 -2.084 1.00 0.00 C ATOM 120 O VAL A 9 -9.488 -6.485 -1.285 1.00 0.00 O ATOM 121 CB VAL A 9 -11.199 -5.914 -3.649 1.00 0.00 C ATOM 122 CG1 VAL A 9 -11.938 -4.699 -3.068 1.00 0.00 C ATOM 123 CG2 VAL A 9 -11.644 -6.069 -5.110 1.00 0.00 C ATOM 0 H VAL A 9 -9.527 -7.701 -4.279 1.00 0.00 H new ATOM 0 HA VAL A 9 -9.427 -4.834 -4.114 1.00 0.00 H new ATOM 0 HB VAL A 9 -11.444 -6.812 -3.081 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -13.014 -4.854 -3.151 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -11.669 -4.577 -2.019 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -11.657 -3.803 -3.621 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -12.726 -6.194 -5.149 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -11.360 -5.180 -5.673 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -11.162 -6.944 -5.546 1.00 0.00 H new ATOM 133 N PRO A 10 -8.530 -4.491 -1.702 1.00 0.00 N ATOM 134 CA PRO A 10 -7.927 -4.369 -0.376 1.00 0.00 C ATOM 135 C PRO A 10 -8.972 -4.128 0.725 1.00 0.00 C ATOM 136 O PRO A 10 -9.838 -3.258 0.601 1.00 0.00 O ATOM 137 CB PRO A 10 -6.950 -3.195 -0.497 1.00 0.00 C ATOM 138 CG PRO A 10 -7.581 -2.306 -1.565 1.00 0.00 C ATOM 139 CD PRO A 10 -8.194 -3.330 -2.517 1.00 0.00 C ATOM 0 HA PRO A 10 -7.427 -5.291 -0.080 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.840 -2.666 0.450 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.956 -3.531 -0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.334 -1.638 -1.146 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -6.841 -1.680 -2.063 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.081 -2.926 -3.004 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -7.491 -3.598 -3.306 1.00 0.00 H new ATOM 147 N ARG A 11 -8.858 -4.863 1.838 1.00 0.00 N ATOM 148 CA ARG A 11 -9.615 -4.634 3.083 1.00 0.00 C ATOM 149 C ARG A 11 -9.164 -3.355 3.797 1.00 0.00 C ATOM 150 O ARG A 11 -9.998 -2.651 4.366 1.00 0.00 O ATOM 151 CB ARG A 11 -9.480 -5.849 4.022 1.00 0.00 C ATOM 152 CG ARG A 11 -9.985 -7.180 3.433 1.00 0.00 C ATOM 153 CD ARG A 11 -11.465 -7.177 3.026 1.00 0.00 C ATOM 154 NE ARG A 11 -12.364 -6.954 4.177 1.00 0.00 N ATOM 155 CZ ARG A 11 -13.675 -6.793 4.147 1.00 0.00 C ATOM 156 NH1 ARG A 11 -14.353 -6.815 3.034 1.00 0.00 N ATOM 157 NH2 ARG A 11 -14.340 -6.611 5.252 1.00 0.00 N ATOM 0 H ARG A 11 -8.220 -5.656 1.903 1.00 0.00 H new ATOM 0 HA ARG A 11 -10.663 -4.506 2.813 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -8.431 -5.964 4.296 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -10.029 -5.643 4.941 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -9.382 -7.428 2.560 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -9.825 -7.971 4.166 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -11.633 -6.399 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -11.712 -8.128 2.555 1.00 0.00 H new ATOM 0 HE ARG A 11 -11.924 -6.921 5.097 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -13.872 -6.960 2.146 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -15.365 -6.687 3.051 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -13.849 -6.592 6.146 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -15.352 -6.487 5.224 1.00 0.00 H new ATOM 171 N ARG A 12 -7.863 -3.026 3.724 1.00 0.00 N ATOM 172 CA ARG A 12 -7.264 -1.773 4.220 1.00 0.00 C ATOM 173 C ARG A 12 -6.499 -1.043 3.099 1.00 0.00 C ATOM 174 O ARG A 12 -5.292 -1.245 2.989 1.00 0.00 O ATOM 175 CB ARG A 12 -6.362 -2.067 5.440 1.00 0.00 C ATOM 176 CG ARG A 12 -7.074 -2.680 6.660 1.00 0.00 C ATOM 177 CD ARG A 12 -8.161 -1.798 7.293 1.00 0.00 C ATOM 178 NE ARG A 12 -7.618 -0.536 7.830 1.00 0.00 N ATOM 179 CZ ARG A 12 -8.093 0.192 8.823 1.00 0.00 C ATOM 180 NH1 ARG A 12 -9.160 -0.122 9.500 1.00 0.00 N ATOM 181 NH2 ARG A 12 -7.483 1.289 9.138 1.00 0.00 N ATOM 0 H ARG A 12 -7.173 -3.648 3.302 1.00 0.00 H new ATOM 0 HA ARG A 12 -8.061 -1.104 4.544 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.567 -2.744 5.127 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.885 -1.137 5.749 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -7.525 -3.626 6.360 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -6.327 -2.910 7.420 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -8.924 -1.574 6.547 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -8.652 -2.350 8.095 1.00 0.00 H new ATOM 0 HE ARG A 12 -6.774 -0.183 7.379 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -9.677 -0.971 9.272 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -9.479 0.481 10.258 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -6.651 1.576 8.622 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -7.834 1.866 9.902 1.00 0.00 H new ATOM 195 N PRO A 13 -7.158 -0.247 2.235 1.00 0.00 N ATOM 196 CA PRO A 13 -6.508 0.492 1.155 1.00 0.00 C ATOM 197 C PRO A 13 -5.451 1.466 1.674 1.00 0.00 C ATOM 198 O PRO A 13 -5.692 2.317 2.534 1.00 0.00 O ATOM 199 CB PRO A 13 -7.616 1.196 0.361 1.00 0.00 C ATOM 200 CG PRO A 13 -8.817 1.157 1.300 1.00 0.00 C ATOM 201 CD PRO A 13 -8.587 -0.161 2.036 1.00 0.00 C ATOM 0 HA PRO A 13 -5.959 -0.190 0.506 1.00 0.00 H new ATOM 0 HB2 PRO A 13 -7.339 2.219 0.108 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -7.825 0.682 -0.577 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -8.834 2.009 1.980 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -9.762 1.164 0.757 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -9.118 -0.177 2.988 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -8.954 -1.006 1.453 1.00 0.00 H new ATOM 209 N VAL A 14 -4.258 1.302 1.124 1.00 0.00 N ATOM 210 CA VAL A 14 -3.013 1.982 1.499 1.00 0.00 C ATOM 211 C VAL A 14 -2.215 2.366 0.251 1.00 0.00 C ATOM 212 O VAL A 14 -2.191 1.637 -0.736 1.00 0.00 O ATOM 213 CB VAL A 14 -2.213 1.062 2.452 1.00 0.00 C ATOM 214 CG1 VAL A 14 -0.703 1.001 2.229 1.00 0.00 C ATOM 215 CG2 VAL A 14 -2.431 1.517 3.895 1.00 0.00 C ATOM 0 H VAL A 14 -4.117 0.649 0.353 1.00 0.00 H new ATOM 0 HA VAL A 14 -3.232 2.912 2.024 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.598 0.065 2.239 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -0.255 0.325 2.957 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -0.498 0.638 1.222 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -0.277 1.997 2.349 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -1.869 0.871 4.569 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.088 2.545 4.008 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -3.492 1.460 4.138 1.00 0.00 H new ATOM 225 N LEU A 15 -1.529 3.502 0.316 1.00 0.00 N ATOM 226 CA LEU A 15 -0.666 4.049 -0.729 1.00 0.00 C ATOM 227 C LEU A 15 0.716 4.377 -0.145 1.00 0.00 C ATOM 228 O LEU A 15 0.858 4.638 1.052 1.00 0.00 O ATOM 229 CB LEU A 15 -1.404 5.273 -1.321 1.00 0.00 C ATOM 230 CG LEU A 15 -0.641 6.134 -2.352 1.00 0.00 C ATOM 231 CD1 LEU A 15 -1.616 6.766 -3.349 1.00 0.00 C ATOM 232 CD2 LEU A 15 0.106 7.305 -1.696 1.00 0.00 C ATOM 0 H LEU A 15 -1.561 4.099 1.142 1.00 0.00 H new ATOM 0 HA LEU A 15 -0.477 3.338 -1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -2.321 4.918 -1.792 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.699 5.920 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 15 0.064 5.458 -2.837 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.061 7.369 -4.068 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -2.158 5.980 -3.876 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -2.324 7.399 -2.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.626 7.880 -2.462 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -0.607 7.949 -1.181 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.830 6.919 -0.978 1.00 0.00 H new ATOM 244 N SER A 16 1.724 4.410 -1.010 1.00 0.00 N ATOM 245 CA SER A 16 3.067 4.920 -0.715 1.00 0.00 C ATOM 246 C SER A 16 3.431 5.963 -1.783 1.00 0.00 C ATOM 247 O SER A 16 3.060 5.799 -2.951 1.00 0.00 O ATOM 248 CB SER A 16 4.095 3.778 -0.645 1.00 0.00 C ATOM 249 OG SER A 16 3.860 2.951 0.479 1.00 0.00 O ATOM 0 H SER A 16 1.630 4.073 -1.968 1.00 0.00 H new ATOM 0 HA SER A 16 3.079 5.395 0.266 1.00 0.00 H new ATOM 0 HB2 SER A 16 4.044 3.182 -1.556 1.00 0.00 H new ATOM 0 HB3 SER A 16 5.101 4.193 -0.591 1.00 0.00 H new ATOM 0 HG SER A 16 4.590 2.303 0.567 1.00 0.00 H new ATOM 255 N PRO A 17 4.147 7.050 -1.431 1.00 0.00 N ATOM 256 CA PRO A 17 4.415 8.176 -2.337 1.00 0.00 C ATOM 257 C PRO A 17 5.390 7.838 -3.479 1.00 0.00 C ATOM 258 O PRO A 17 5.699 8.704 -4.302 1.00 0.00 O ATOM 259 CB PRO A 17 4.948 9.294 -1.432 1.00 0.00 C ATOM 260 CG PRO A 17 5.619 8.533 -0.294 1.00 0.00 C ATOM 261 CD PRO A 17 4.690 7.336 -0.113 1.00 0.00 C ATOM 0 HA PRO A 17 3.507 8.468 -2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 17 5.654 9.936 -1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 17 4.145 9.935 -1.069 1.00 0.00 H new ATOM 0 HG2 PRO A 17 6.633 8.226 -0.552 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.689 9.135 0.612 1.00 0.00 H new ATOM 0 HD2 PRO A 17 5.233 6.477 0.281 1.00 0.00 H new ATOM 0 HD3 PRO A 17 3.894 7.563 0.596 1.00 0.00 H new ATOM 269 N LYS A 18 5.868 6.591 -3.543 1.00 0.00 N ATOM 270 CA LYS A 18 6.783 6.067 -4.558 1.00 0.00 C ATOM 271 C LYS A 18 5.983 5.430 -5.703 1.00 0.00 C ATOM 272 O LYS A 18 5.922 5.997 -6.795 1.00 0.00 O ATOM 273 CB LYS A 18 7.773 5.093 -3.903 1.00 0.00 C ATOM 274 CG LYS A 18 8.411 5.596 -2.599 1.00 0.00 C ATOM 275 CD LYS A 18 9.343 4.506 -2.061 1.00 0.00 C ATOM 276 CE LYS A 18 10.012 4.867 -0.733 1.00 0.00 C ATOM 277 NZ LYS A 18 10.835 6.096 -0.826 1.00 0.00 N ATOM 0 H LYS A 18 5.613 5.885 -2.852 1.00 0.00 H new ATOM 0 HA LYS A 18 7.369 6.875 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 18 7.256 4.155 -3.699 1.00 0.00 H new ATOM 0 HB3 LYS A 18 8.567 4.871 -4.616 1.00 0.00 H new ATOM 0 HG2 LYS A 18 8.968 6.515 -2.780 1.00 0.00 H new ATOM 0 HG3 LYS A 18 7.639 5.830 -1.866 1.00 0.00 H new ATOM 0 HD2 LYS A 18 8.774 3.585 -1.932 1.00 0.00 H new ATOM 0 HD3 LYS A 18 10.115 4.302 -2.803 1.00 0.00 H new ATOM 0 HE2 LYS A 18 9.246 5.004 0.030 1.00 0.00 H new ATOM 0 HE3 LYS A 18 10.640 4.037 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 11.279 6.287 0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 11.574 5.965 -1.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 10.230 6.899 -1.092 1.00 0.00 H new ATOM 291 N SER A 19 5.303 4.311 -5.438 1.00 0.00 N ATOM 292 CA SER A 19 4.355 3.661 -6.345 1.00 0.00 C ATOM 293 C SER A 19 3.195 4.546 -6.827 1.00 0.00 C ATOM 294 O SER A 19 2.836 4.479 -8.004 1.00 0.00 O ATOM 295 CB SER A 19 3.747 2.438 -5.647 1.00 0.00 C ATOM 296 OG SER A 19 2.860 2.811 -4.604 1.00 0.00 O ATOM 0 H SER A 19 5.402 3.815 -4.552 1.00 0.00 H new ATOM 0 HA SER A 19 4.940 3.403 -7.228 1.00 0.00 H new ATOM 0 HB2 SER A 19 3.213 1.831 -6.378 1.00 0.00 H new ATOM 0 HB3 SER A 19 4.546 1.818 -5.240 1.00 0.00 H new ATOM 0 HG SER A 19 1.988 2.387 -4.749 1.00 0.00 H new ATOM 302 N ARG A 20 2.598 5.360 -5.936 1.00 0.00 N ATOM 303 CA ARG A 20 1.339 6.122 -6.119 1.00 0.00 C ATOM 304 C ARG A 20 0.103 5.247 -6.430 1.00 0.00 C ATOM 305 O ARG A 20 -0.981 5.779 -6.680 1.00 0.00 O ATOM 306 CB ARG A 20 1.522 7.269 -7.143 1.00 0.00 C ATOM 307 CG ARG A 20 2.637 8.271 -6.795 1.00 0.00 C ATOM 308 CD ARG A 20 2.263 9.170 -5.609 1.00 0.00 C ATOM 309 NE ARG A 20 3.391 10.051 -5.250 1.00 0.00 N ATOM 310 CZ ARG A 20 3.394 11.336 -4.959 1.00 0.00 C ATOM 311 NH1 ARG A 20 2.314 12.067 -4.975 1.00 0.00 N ATOM 312 NH2 ARG A 20 4.513 11.916 -4.631 1.00 0.00 N ATOM 0 H ARG A 20 3.002 5.516 -5.013 1.00 0.00 H new ATOM 0 HA ARG A 20 1.119 6.567 -5.149 1.00 0.00 H new ATOM 0 HB2 ARG A 20 1.735 6.835 -8.120 1.00 0.00 H new ATOM 0 HB3 ARG A 20 0.581 7.811 -7.233 1.00 0.00 H new ATOM 0 HG2 ARG A 20 3.552 7.726 -6.561 1.00 0.00 H new ATOM 0 HG3 ARG A 20 2.849 8.892 -7.666 1.00 0.00 H new ATOM 0 HD2 ARG A 20 1.391 9.772 -5.863 1.00 0.00 H new ATOM 0 HD3 ARG A 20 1.988 8.555 -4.752 1.00 0.00 H new ATOM 0 HE ARG A 20 4.304 9.598 -5.223 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.417 11.647 -5.220 1.00 0.00 H new ATOM 0 HH12 ARG A 20 2.366 13.059 -4.742 1.00 0.00 H new ATOM 0 HH21 ARG A 20 5.378 11.376 -4.601 1.00 0.00 H new ATOM 0 HH22 ARG A 20 4.525 12.910 -4.404 1.00 0.00 H new ATOM 326 N THR A 21 0.237 3.919 -6.393 1.00 0.00 N ATOM 327 CA THR A 21 -0.822 2.905 -6.486 1.00 0.00 C ATOM 328 C THR A 21 -1.590 2.765 -5.159 1.00 0.00 C ATOM 329 O THR A 21 -1.241 3.419 -4.173 1.00 0.00 O ATOM 330 CB THR A 21 -0.181 1.558 -6.855 1.00 0.00 C ATOM 331 OG1 THR A 21 0.728 1.160 -5.860 1.00 0.00 O ATOM 332 CG2 THR A 21 0.611 1.597 -8.162 1.00 0.00 C ATOM 0 H THR A 21 1.157 3.490 -6.290 1.00 0.00 H new ATOM 0 HA THR A 21 -1.535 3.214 -7.250 1.00 0.00 H new ATOM 0 HB THR A 21 -1.017 0.866 -6.959 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.298 0.512 -5.264 1.00 0.00 H new ATOM 0 HG21 THR A 21 1.035 0.613 -8.360 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.052 1.878 -8.981 1.00 0.00 H new ATOM 0 HG23 THR A 21 1.415 2.328 -8.079 1.00 0.00 H new ATOM 340 N ILE A 22 -2.633 1.918 -5.100 1.00 0.00 N ATOM 341 CA ILE A 22 -3.296 1.554 -3.837 1.00 0.00 C ATOM 342 C ILE A 22 -3.246 0.035 -3.670 1.00 0.00 C ATOM 343 O ILE A 22 -3.884 -0.701 -4.422 1.00 0.00 O ATOM 344 CB ILE A 22 -4.735 2.103 -3.746 1.00 0.00 C ATOM 345 CG1 ILE A 22 -4.770 3.639 -3.942 1.00 0.00 C ATOM 346 CG2 ILE A 22 -5.374 1.726 -2.393 1.00 0.00 C ATOM 347 CD1 ILE A 22 -6.176 4.250 -3.963 1.00 0.00 C ATOM 0 H ILE A 22 -3.037 1.469 -5.922 1.00 0.00 H new ATOM 0 HA ILE A 22 -2.758 2.021 -3.012 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.312 1.647 -4.551 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.197 4.107 -3.141 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -4.268 3.884 -4.878 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.389 2.122 -2.347 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.403 0.641 -2.294 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.783 2.149 -1.581 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -6.102 5.328 -4.105 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.750 3.815 -4.781 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.677 4.042 -3.018 1.00 0.00 H new ATOM 359 N PHE A 23 -2.524 -0.423 -2.656 1.00 0.00 N ATOM 360 CA PHE A 23 -2.420 -1.819 -2.222 1.00 0.00 C ATOM 361 C PHE A 23 -3.107 -2.032 -0.875 1.00 0.00 C ATOM 362 O PHE A 23 -3.553 -1.084 -0.228 1.00 0.00 O ATOM 363 CB PHE A 23 -0.960 -2.321 -2.218 1.00 0.00 C ATOM 364 CG PHE A 23 0.132 -1.289 -2.131 1.00 0.00 C ATOM 365 CD1 PHE A 23 0.373 -0.622 -0.928 1.00 0.00 C ATOM 366 CD2 PHE A 23 0.925 -1.014 -3.250 1.00 0.00 C ATOM 367 CE1 PHE A 23 1.313 0.429 -0.889 1.00 0.00 C ATOM 368 CE2 PHE A 23 1.911 -0.022 -3.201 1.00 0.00 C ATOM 369 CZ PHE A 23 2.084 0.722 -2.026 1.00 0.00 C ATOM 0 H PHE A 23 -1.961 0.202 -2.078 1.00 0.00 H new ATOM 0 HA PHE A 23 -2.949 -2.427 -2.956 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -0.843 -3.006 -1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -0.802 -2.901 -3.127 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -0.158 -0.909 -0.032 1.00 0.00 H new ATOM 0 HD2 PHE A 23 0.775 -1.573 -4.162 1.00 0.00 H new ATOM 0 HE1 PHE A 23 1.440 1.008 0.014 1.00 0.00 H new ATOM 0 HE2 PHE A 23 2.534 0.169 -4.062 1.00 0.00 H new ATOM 0 HZ PHE A 23 2.810 1.521 -1.995 1.00 0.00 H new ATOM 379 N GLU A 24 -3.242 -3.291 -0.452 1.00 0.00 N ATOM 380 CA GLU A 24 -3.683 -3.542 0.918 1.00 0.00 C ATOM 381 C GLU A 24 -2.553 -3.184 1.905 1.00 0.00 C ATOM 382 O GLU A 24 -1.385 -3.480 1.631 1.00 0.00 O ATOM 383 CB GLU A 24 -4.118 -4.993 1.113 1.00 0.00 C ATOM 384 CG GLU A 24 -4.985 -5.161 2.366 1.00 0.00 C ATOM 385 CD GLU A 24 -5.588 -6.566 2.424 1.00 0.00 C ATOM 386 OE1 GLU A 24 -4.872 -7.543 2.739 1.00 0.00 O ATOM 387 OE2 GLU A 24 -6.786 -6.703 2.099 1.00 0.00 O ATOM 0 H GLU A 24 -3.060 -4.122 -1.014 1.00 0.00 H new ATOM 0 HA GLU A 24 -4.550 -2.911 1.115 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -4.675 -5.327 0.238 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -3.237 -5.630 1.192 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -4.383 -4.981 3.257 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -5.782 -4.418 2.365 1.00 0.00 H new ATOM 394 N LYS A 25 -2.878 -2.645 3.088 1.00 0.00 N ATOM 395 CA LYS A 25 -1.922 -2.420 4.176 1.00 0.00 C ATOM 396 C LYS A 25 -1.249 -3.731 4.546 1.00 0.00 C ATOM 397 O LYS A 25 -0.029 -3.782 4.672 1.00 0.00 O ATOM 398 CB LYS A 25 -2.625 -1.780 5.388 1.00 0.00 C ATOM 399 CG LYS A 25 -1.599 -1.321 6.443 1.00 0.00 C ATOM 400 CD LYS A 25 -2.151 -0.306 7.454 1.00 0.00 C ATOM 401 CE LYS A 25 -3.297 -0.863 8.306 1.00 0.00 C ATOM 402 NZ LYS A 25 -3.702 0.111 9.353 1.00 0.00 N ATOM 0 H LYS A 25 -3.827 -2.349 3.317 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.152 -1.725 3.843 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -3.220 -0.928 5.060 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -3.314 -2.497 5.834 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -1.234 -2.194 6.984 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -0.742 -0.881 5.933 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -1.344 0.019 8.110 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -2.501 0.577 6.919 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -4.151 -1.093 7.668 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -2.987 -1.798 8.774 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -4.640 -0.146 9.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -3.009 0.096 10.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -3.741 1.066 8.942 1.00 0.00 H new ATOM 416 N SER A 26 -2.041 -4.798 4.652 1.00 0.00 N ATOM 417 CA SER A 26 -1.535 -6.116 5.032 1.00 0.00 C ATOM 418 C SER A 26 -0.627 -6.756 3.970 1.00 0.00 C ATOM 419 O SER A 26 0.367 -7.392 4.326 1.00 0.00 O ATOM 420 CB SER A 26 -2.676 -7.068 5.396 1.00 0.00 C ATOM 421 OG SER A 26 -3.546 -6.466 6.346 1.00 0.00 O ATOM 0 H SER A 26 -3.046 -4.773 4.478 1.00 0.00 H new ATOM 0 HA SER A 26 -0.916 -5.946 5.913 1.00 0.00 H new ATOM 0 HB2 SER A 26 -3.236 -7.333 4.499 1.00 0.00 H new ATOM 0 HB3 SER A 26 -2.269 -7.994 5.803 1.00 0.00 H new ATOM 0 HG SER A 26 -4.271 -7.088 6.566 1.00 0.00 H new ATOM 427 N LEU A 27 -0.911 -6.571 2.670 1.00 0.00 N ATOM 428 CA LEU A 27 -0.057 -7.079 1.596 1.00 0.00 C ATOM 429 C LEU A 27 1.241 -6.266 1.458 1.00 0.00 C ATOM 430 O LEU A 27 2.305 -6.853 1.263 1.00 0.00 O ATOM 431 CB LEU A 27 -0.817 -7.111 0.257 1.00 0.00 C ATOM 432 CG LEU A 27 -2.066 -8.013 0.122 1.00 0.00 C ATOM 433 CD1 LEU A 27 -2.104 -8.632 -1.255 1.00 0.00 C ATOM 434 CD2 LEU A 27 -2.143 -9.170 1.121 1.00 0.00 C ATOM 0 H LEU A 27 -1.735 -6.068 2.341 1.00 0.00 H new ATOM 0 HA LEU A 27 0.221 -8.098 1.864 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -1.123 -6.090 0.028 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.109 -7.412 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 27 -2.905 -7.345 0.319 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -2.986 -9.266 -1.345 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -2.146 -7.844 -2.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.208 -9.233 -1.409 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -3.054 -9.743 0.945 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.276 -9.819 0.994 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -2.154 -8.774 2.136 1.00 0.00 H new ATOM 446 N LEU A 28 1.193 -4.937 1.614 1.00 0.00 N ATOM 447 CA LEU A 28 2.410 -4.123 1.687 1.00 0.00 C ATOM 448 C LEU A 28 3.235 -4.556 2.904 1.00 0.00 C ATOM 449 O LEU A 28 4.439 -4.737 2.771 1.00 0.00 O ATOM 450 CB LEU A 28 2.131 -2.614 1.760 1.00 0.00 C ATOM 451 CG LEU A 28 3.444 -1.786 1.682 1.00 0.00 C ATOM 452 CD1 LEU A 28 4.014 -1.763 0.264 1.00 0.00 C ATOM 453 CD2 LEU A 28 3.189 -0.377 2.206 1.00 0.00 C ATOM 0 H LEU A 28 0.326 -4.405 1.692 1.00 0.00 H new ATOM 0 HA LEU A 28 2.963 -4.292 0.763 1.00 0.00 H new ATOM 0 HB2 LEU A 28 1.469 -2.326 0.943 1.00 0.00 H new ATOM 0 HB3 LEU A 28 1.610 -2.384 2.689 1.00 0.00 H new ATOM 0 HG LEU A 28 4.196 -2.264 2.310 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.931 -1.175 0.250 1.00 0.00 H new ATOM 0 HD12 LEU A 28 4.231 -2.782 -0.057 1.00 0.00 H new ATOM 0 HD13 LEU A 28 3.286 -1.316 -0.413 1.00 0.00 H new ATOM 0 HD21 LEU A 28 4.110 0.204 2.151 1.00 0.00 H new ATOM 0 HD22 LEU A 28 2.421 0.103 1.600 1.00 0.00 H new ATOM 0 HD23 LEU A 28 2.854 -0.429 3.242 1.00 0.00 H new ATOM 465 N GLU A 29 2.600 -4.761 4.067 1.00 0.00 N ATOM 466 CA GLU A 29 3.279 -5.199 5.297 1.00 0.00 C ATOM 467 C GLU A 29 4.075 -6.491 5.054 1.00 0.00 C ATOM 468 O GLU A 29 5.223 -6.610 5.478 1.00 0.00 O ATOM 469 CB GLU A 29 2.283 -5.396 6.453 1.00 0.00 C ATOM 470 CG GLU A 29 2.989 -5.525 7.815 1.00 0.00 C ATOM 471 CD GLU A 29 2.146 -6.339 8.812 1.00 0.00 C ATOM 472 OE1 GLU A 29 1.230 -5.772 9.454 1.00 0.00 O ATOM 473 OE2 GLU A 29 2.419 -7.556 8.969 1.00 0.00 O ATOM 0 H GLU A 29 1.595 -4.627 4.182 1.00 0.00 H new ATOM 0 HA GLU A 29 3.974 -4.409 5.582 1.00 0.00 H new ATOM 0 HB2 GLU A 29 1.592 -4.553 6.482 1.00 0.00 H new ATOM 0 HB3 GLU A 29 1.687 -6.290 6.269 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.958 -6.005 7.680 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.179 -4.532 8.223 1.00 0.00 H new ATOM 480 N GLN A 30 3.498 -7.432 4.299 1.00 0.00 N ATOM 481 CA GLN A 30 4.176 -8.660 3.882 1.00 0.00 C ATOM 482 C GLN A 30 5.446 -8.352 3.070 1.00 0.00 C ATOM 483 O GLN A 30 6.536 -8.811 3.411 1.00 0.00 O ATOM 484 CB GLN A 30 3.194 -9.539 3.087 1.00 0.00 C ATOM 485 CG GLN A 30 3.676 -10.991 2.979 1.00 0.00 C ATOM 486 CD GLN A 30 2.690 -11.852 2.194 1.00 0.00 C ATOM 487 OE1 GLN A 30 2.841 -12.093 1.002 1.00 0.00 O ATOM 488 NE2 GLN A 30 1.639 -12.351 2.817 1.00 0.00 N ATOM 0 H GLN A 30 2.539 -7.360 3.958 1.00 0.00 H new ATOM 0 HA GLN A 30 4.498 -9.207 4.768 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.217 -9.517 3.569 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.066 -9.125 2.087 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.651 -11.016 2.492 1.00 0.00 H new ATOM 0 HG3 GLN A 30 3.808 -11.407 3.978 1.00 0.00 H new ATOM 0 HE21 GLN A 30 1.497 -12.161 3.809 1.00 0.00 H new ATOM 0 HE22 GLN A 30 0.969 -12.926 2.306 1.00 0.00 H new ATOM 497 N TYR A 31 5.315 -7.546 2.013 1.00 0.00 N ATOM 498 CA TYR A 31 6.409 -7.249 1.083 1.00 0.00 C ATOM 499 C TYR A 31 7.525 -6.422 1.739 1.00 0.00 C ATOM 500 O TYR A 31 8.722 -6.631 1.515 1.00 0.00 O ATOM 501 CB TYR A 31 5.815 -6.544 -0.144 1.00 0.00 C ATOM 502 CG TYR A 31 6.783 -6.388 -1.298 1.00 0.00 C ATOM 503 CD1 TYR A 31 7.297 -7.530 -1.940 1.00 0.00 C ATOM 504 CD2 TYR A 31 7.168 -5.112 -1.738 1.00 0.00 C ATOM 505 CE1 TYR A 31 8.156 -7.397 -3.049 1.00 0.00 C ATOM 506 CE2 TYR A 31 8.082 -4.984 -2.801 1.00 0.00 C ATOM 507 CZ TYR A 31 8.568 -6.118 -3.472 1.00 0.00 C ATOM 508 OH TYR A 31 9.428 -5.971 -4.516 1.00 0.00 O ATOM 0 H TYR A 31 4.440 -7.077 1.776 1.00 0.00 H new ATOM 0 HA TYR A 31 6.885 -8.180 0.776 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.946 -7.106 -0.487 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.460 -5.557 0.154 1.00 0.00 H new ATOM 0 HD1 TYR A 31 7.032 -8.513 -1.581 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.764 -4.231 -1.262 1.00 0.00 H new ATOM 0 HE1 TYR A 31 8.499 -8.276 -3.575 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.413 -4.002 -3.104 1.00 0.00 H new ATOM 0 HH TYR A 31 9.599 -5.018 -4.667 1.00 0.00 H new ATOM 518 N VAL A 32 7.133 -5.502 2.620 1.00 0.00 N ATOM 519 CA VAL A 32 8.025 -4.549 3.286 1.00 0.00 C ATOM 520 C VAL A 32 8.715 -5.140 4.536 1.00 0.00 C ATOM 521 O VAL A 32 9.664 -4.564 5.064 1.00 0.00 O ATOM 522 CB VAL A 32 7.246 -3.240 3.559 1.00 0.00 C ATOM 523 CG1 VAL A 32 6.425 -3.326 4.850 1.00 0.00 C ATOM 524 CG2 VAL A 32 8.092 -1.976 3.658 1.00 0.00 C ATOM 0 H VAL A 32 6.158 -5.395 2.899 1.00 0.00 H new ATOM 0 HA VAL A 32 8.857 -4.315 2.622 1.00 0.00 H new ATOM 0 HB VAL A 32 6.614 -3.152 2.675 1.00 0.00 H new ATOM 0 HG11 VAL A 32 5.893 -2.388 5.006 1.00 0.00 H new ATOM 0 HG12 VAL A 32 5.706 -4.142 4.771 1.00 0.00 H new ATOM 0 HG13 VAL A 32 7.091 -3.510 5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 32 7.446 -1.120 3.851 1.00 0.00 H new ATOM 0 HG22 VAL A 32 8.808 -2.081 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 32 8.628 -1.823 2.721 1.00 0.00 H new ATOM 534 N LYS A 33 8.281 -6.319 4.999 1.00 0.00 N ATOM 535 CA LYS A 33 8.988 -7.128 6.018 1.00 0.00 C ATOM 536 C LYS A 33 9.749 -8.303 5.376 1.00 0.00 C ATOM 537 O LYS A 33 10.596 -8.923 6.019 1.00 0.00 O ATOM 538 CB LYS A 33 8.062 -7.511 7.187 1.00 0.00 C ATOM 539 CG LYS A 33 7.129 -8.708 6.948 1.00 0.00 C ATOM 540 CD LYS A 33 6.061 -8.762 8.052 1.00 0.00 C ATOM 541 CE LYS A 33 5.048 -9.882 7.797 1.00 0.00 C ATOM 542 NZ LYS A 33 3.978 -9.888 8.829 1.00 0.00 N ATOM 0 H LYS A 33 7.415 -6.751 4.675 1.00 0.00 H new ATOM 0 HA LYS A 33 9.762 -6.512 6.476 1.00 0.00 H new ATOM 0 HB2 LYS A 33 8.681 -7.727 8.058 1.00 0.00 H new ATOM 0 HB3 LYS A 33 7.450 -6.644 7.438 1.00 0.00 H new ATOM 0 HG2 LYS A 33 6.652 -8.620 5.972 1.00 0.00 H new ATOM 0 HG3 LYS A 33 7.704 -9.634 6.940 1.00 0.00 H new ATOM 0 HD2 LYS A 33 6.542 -8.917 9.018 1.00 0.00 H new ATOM 0 HD3 LYS A 33 5.542 -7.805 8.105 1.00 0.00 H new ATOM 0 HE2 LYS A 33 4.603 -9.755 6.810 1.00 0.00 H new ATOM 0 HE3 LYS A 33 5.560 -10.844 7.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 3.366 -10.717 8.689 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 4.408 -9.931 9.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 3.410 -9.020 8.746 1.00 0.00 H new ATOM 556 N ASP A 34 9.501 -8.556 4.086 1.00 0.00 N ATOM 557 CA ASP A 34 10.259 -9.472 3.221 1.00 0.00 C ATOM 558 C ASP A 34 11.594 -8.840 2.799 1.00 0.00 C ATOM 559 O ASP A 34 12.661 -9.419 3.013 1.00 0.00 O ATOM 560 CB ASP A 34 9.447 -9.800 1.952 1.00 0.00 C ATOM 561 CG ASP A 34 9.110 -11.298 1.844 1.00 0.00 C ATOM 562 OD1 ASP A 34 10.054 -12.121 1.757 1.00 0.00 O ATOM 563 OD2 ASP A 34 7.911 -11.663 1.825 1.00 0.00 O ATOM 0 H ASP A 34 8.730 -8.107 3.592 1.00 0.00 H new ATOM 0 HA ASP A 34 10.451 -10.384 3.786 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.523 -9.222 1.955 1.00 0.00 H new ATOM 0 HB3 ASP A 34 10.012 -9.493 1.072 1.00 0.00 H new ATOM 568 N THR A 35 11.520 -7.646 2.195 1.00 0.00 N ATOM 569 CA THR A 35 12.676 -6.902 1.654 1.00 0.00 C ATOM 570 C THR A 35 12.656 -5.430 2.048 1.00 0.00 C ATOM 571 O THR A 35 13.701 -4.775 2.054 1.00 0.00 O ATOM 572 CB THR A 35 12.724 -6.961 0.117 1.00 0.00 C ATOM 573 OG1 THR A 35 11.566 -6.367 -0.431 1.00 0.00 O ATOM 574 CG2 THR A 35 12.849 -8.376 -0.447 1.00 0.00 C ATOM 0 H THR A 35 10.635 -7.155 2.064 1.00 0.00 H new ATOM 0 HA THR A 35 13.552 -7.388 2.083 1.00 0.00 H new ATOM 0 HB THR A 35 13.624 -6.415 -0.166 1.00 0.00 H new ATOM 0 HG1 THR A 35 11.609 -6.409 -1.409 1.00 0.00 H new ATOM 0 HG21 THR A 35 12.876 -8.333 -1.536 1.00 0.00 H new ATOM 0 HG22 THR A 35 13.767 -8.835 -0.079 1.00 0.00 H new ATOM 0 HG23 THR A 35 11.993 -8.971 -0.129 1.00 0.00 H new ATOM 582 N GLY A 36 11.475 -4.899 2.376 1.00 0.00 N ATOM 583 CA GLY A 36 11.252 -3.474 2.604 1.00 0.00 C ATOM 584 C GLY A 36 10.940 -2.704 1.322 1.00 0.00 C ATOM 585 O GLY A 36 10.481 -1.574 1.387 1.00 0.00 O ATOM 0 H GLY A 36 10.632 -5.461 2.492 1.00 0.00 H new ATOM 0 HA2 GLY A 36 10.427 -3.349 3.306 1.00 0.00 H new ATOM 0 HA3 GLY A 36 12.137 -3.044 3.073 1.00 0.00 H new ATOM 589 N ASN A 37 11.146 -3.280 0.146 1.00 0.00 N ATOM 590 CA ASN A 37 11.077 -2.525 -1.099 1.00 0.00 C ATOM 591 C ASN A 37 9.659 -2.020 -1.438 1.00 0.00 C ATOM 592 O ASN A 37 8.656 -2.589 -1.012 1.00 0.00 O ATOM 593 CB ASN A 37 11.626 -3.429 -2.218 1.00 0.00 C ATOM 594 CG ASN A 37 13.111 -3.742 -2.094 1.00 0.00 C ATOM 595 OD1 ASN A 37 13.889 -3.038 -1.464 1.00 0.00 O ATOM 596 ND2 ASN A 37 13.558 -4.809 -2.712 1.00 0.00 N ATOM 0 H ASN A 37 11.363 -4.270 0.027 1.00 0.00 H new ATOM 0 HA ASN A 37 11.676 -1.621 -0.992 1.00 0.00 H new ATOM 0 HB2 ASN A 37 11.068 -4.365 -2.221 1.00 0.00 H new ATOM 0 HB3 ASN A 37 11.446 -2.948 -3.180 1.00 0.00 H new ATOM 0 HD21 ASN A 37 14.549 -5.048 -2.666 1.00 0.00 H new ATOM 0 HD22 ASN A 37 12.915 -5.400 -3.239 1.00 0.00 H new ATOM 603 N ASP A 38 9.566 -0.941 -2.217 1.00 0.00 N ATOM 604 CA ASP A 38 8.308 -0.507 -2.838 1.00 0.00 C ATOM 605 C ASP A 38 7.934 -1.558 -3.901 1.00 0.00 C ATOM 606 O ASP A 38 8.802 -1.938 -4.694 1.00 0.00 O ATOM 607 CB ASP A 38 8.482 0.828 -3.571 1.00 0.00 C ATOM 608 CG ASP A 38 7.157 1.391 -4.055 1.00 0.00 C ATOM 609 OD1 ASP A 38 6.348 1.856 -3.222 1.00 0.00 O ATOM 610 OD2 ASP A 38 6.973 1.369 -5.290 1.00 0.00 O ATOM 0 H ASP A 38 10.361 -0.341 -2.437 1.00 0.00 H new ATOM 0 HA ASP A 38 7.551 -0.396 -2.062 1.00 0.00 H new ATOM 0 HB2 ASP A 38 8.959 1.547 -2.905 1.00 0.00 H new ATOM 0 HB3 ASP A 38 9.149 0.690 -4.422 1.00 0.00 H new ATOM 615 N PRO A 39 6.681 -2.020 -4.007 1.00 0.00 N ATOM 616 CA PRO A 39 6.309 -3.025 -5.006 1.00 0.00 C ATOM 617 C PRO A 39 6.414 -2.519 -6.463 1.00 0.00 C ATOM 618 O PRO A 39 6.228 -3.327 -7.375 1.00 0.00 O ATOM 619 CB PRO A 39 4.888 -3.449 -4.624 1.00 0.00 C ATOM 620 CG PRO A 39 4.334 -2.197 -3.955 1.00 0.00 C ATOM 621 CD PRO A 39 5.536 -1.657 -3.193 1.00 0.00 C ATOM 0 HA PRO A 39 7.002 -3.867 -4.993 1.00 0.00 H new ATOM 0 HB2 PRO A 39 4.302 -3.735 -5.498 1.00 0.00 H new ATOM 0 HB3 PRO A 39 4.888 -4.303 -3.947 1.00 0.00 H new ATOM 0 HG2 PRO A 39 3.964 -1.479 -4.686 1.00 0.00 H new ATOM 0 HG3 PRO A 39 3.504 -2.429 -3.288 1.00 0.00 H new ATOM 0 HD2 PRO A 39 5.469 -0.577 -3.062 1.00 0.00 H new ATOM 0 HD3 PRO A 39 5.603 -2.095 -2.197 1.00 0.00 H new ATOM 629 N ILE A 40 6.714 -1.227 -6.713 1.00 0.00 N ATOM 630 CA ILE A 40 6.744 -0.627 -8.060 1.00 0.00 C ATOM 631 C ILE A 40 8.109 0.000 -8.365 1.00 0.00 C ATOM 632 O ILE A 40 8.653 -0.226 -9.449 1.00 0.00 O ATOM 633 CB ILE A 40 5.599 0.402 -8.238 1.00 0.00 C ATOM 634 CG1 ILE A 40 4.188 -0.200 -8.049 1.00 0.00 C ATOM 635 CG2 ILE A 40 5.669 1.129 -9.592 1.00 0.00 C ATOM 636 CD1 ILE A 40 3.822 -1.330 -9.017 1.00 0.00 C ATOM 0 H ILE A 40 6.945 -0.564 -5.973 1.00 0.00 H new ATOM 0 HA ILE A 40 6.586 -1.429 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 40 5.759 1.125 -7.438 1.00 0.00 H new ATOM 0 HG12 ILE A 40 4.105 -0.577 -7.029 1.00 0.00 H new ATOM 0 HG13 ILE A 40 3.453 0.598 -8.154 1.00 0.00 H new ATOM 0 HG21 ILE A 40 4.845 1.839 -9.667 1.00 0.00 H new ATOM 0 HG22 ILE A 40 6.616 1.663 -9.670 1.00 0.00 H new ATOM 0 HG23 ILE A 40 5.596 0.401 -10.400 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.813 -1.682 -8.800 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.865 -0.960 -10.041 1.00 0.00 H new ATOM 0 HD13 ILE A 40 4.527 -2.153 -8.899 1.00 0.00 H new ATOM 648 N THR A 41 8.687 0.761 -7.429 1.00 0.00 N ATOM 649 CA THR A 41 9.965 1.471 -7.630 1.00 0.00 C ATOM 650 C THR A 41 11.160 0.736 -7.013 1.00 0.00 C ATOM 651 O THR A 41 12.305 1.149 -7.201 1.00 0.00 O ATOM 652 CB THR A 41 9.901 2.915 -7.119 1.00 0.00 C ATOM 653 OG1 THR A 41 9.427 2.897 -5.807 1.00 0.00 O ATOM 654 CG2 THR A 41 8.938 3.782 -7.929 1.00 0.00 C ATOM 0 H THR A 41 8.283 0.905 -6.504 1.00 0.00 H new ATOM 0 HA THR A 41 10.123 1.494 -8.708 1.00 0.00 H new ATOM 0 HB THR A 41 10.904 3.334 -7.202 1.00 0.00 H new ATOM 0 HG1 THR A 41 8.449 2.966 -5.811 1.00 0.00 H new ATOM 0 HG21 THR A 41 8.932 4.794 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 41 9.261 3.809 -8.970 1.00 0.00 H new ATOM 0 HG23 THR A 41 7.934 3.362 -7.871 1.00 0.00 H new ATOM 662 N ASN A 42 10.908 -0.368 -6.300 1.00 0.00 N ATOM 663 CA ASN A 42 11.816 -1.174 -5.476 1.00 0.00 C ATOM 664 C ASN A 42 12.760 -0.403 -4.534 1.00 0.00 C ATOM 665 O ASN A 42 13.794 -0.932 -4.123 1.00 0.00 O ATOM 666 CB ASN A 42 12.439 -2.335 -6.288 1.00 0.00 C ATOM 667 CG ASN A 42 13.835 -2.118 -6.867 1.00 0.00 C ATOM 668 OD1 ASN A 42 14.683 -3.002 -6.825 1.00 0.00 O ATOM 669 ND2 ASN A 42 14.132 -0.988 -7.463 1.00 0.00 N ATOM 0 H ASN A 42 9.966 -0.759 -6.285 1.00 0.00 H new ATOM 0 HA ASN A 42 11.187 -1.649 -4.723 1.00 0.00 H new ATOM 0 HB2 ASN A 42 12.474 -3.215 -5.645 1.00 0.00 H new ATOM 0 HB3 ASN A 42 11.765 -2.569 -7.112 1.00 0.00 H new ATOM 0 HD21 ASN A 42 15.054 -0.858 -7.880 1.00 0.00 H new ATOM 0 HD22 ASN A 42 13.441 -0.239 -7.509 1.00 0.00 H new ATOM 676 N GLU A 43 12.403 0.829 -4.149 1.00 0.00 N ATOM 677 CA GLU A 43 13.213 1.573 -3.166 1.00 0.00 C ATOM 678 C GLU A 43 13.090 0.936 -1.771 1.00 0.00 C ATOM 679 O GLU A 43 11.969 0.594 -1.385 1.00 0.00 O ATOM 680 CB GLU A 43 12.807 3.045 -3.046 1.00 0.00 C ATOM 681 CG GLU A 43 12.710 3.784 -4.385 1.00 0.00 C ATOM 682 CD GLU A 43 12.801 5.318 -4.216 1.00 0.00 C ATOM 683 OE1 GLU A 43 12.368 5.860 -3.166 1.00 0.00 O ATOM 684 OE2 GLU A 43 13.312 5.994 -5.141 1.00 0.00 O ATOM 0 H GLU A 43 11.580 1.325 -4.491 1.00 0.00 H new ATOM 0 HA GLU A 43 14.239 1.524 -3.532 1.00 0.00 H new ATOM 0 HB2 GLU A 43 11.843 3.104 -2.541 1.00 0.00 H new ATOM 0 HB3 GLU A 43 13.530 3.559 -2.412 1.00 0.00 H new ATOM 0 HG2 GLU A 43 13.510 3.445 -5.043 1.00 0.00 H new ATOM 0 HG3 GLU A 43 11.768 3.529 -4.871 1.00 0.00 H new ATOM 691 N PRO A 44 14.182 0.782 -0.998 1.00 0.00 N ATOM 692 CA PRO A 44 14.145 0.128 0.307 1.00 0.00 C ATOM 693 C PRO A 44 13.338 0.937 1.336 1.00 0.00 C ATOM 694 O PRO A 44 13.568 2.134 1.524 1.00 0.00 O ATOM 695 CB PRO A 44 15.610 -0.051 0.720 1.00 0.00 C ATOM 696 CG PRO A 44 16.336 1.069 -0.024 1.00 0.00 C ATOM 697 CD PRO A 44 15.541 1.194 -1.322 1.00 0.00 C ATOM 0 HA PRO A 44 13.633 -0.833 0.257 1.00 0.00 H new ATOM 0 HB2 PRO A 44 15.736 0.038 1.799 1.00 0.00 H new ATOM 0 HB3 PRO A 44 15.989 -1.032 0.435 1.00 0.00 H new ATOM 0 HG2 PRO A 44 16.330 2.000 0.543 1.00 0.00 H new ATOM 0 HG3 PRO A 44 17.380 0.817 -0.213 1.00 0.00 H new ATOM 0 HD2 PRO A 44 15.560 2.218 -1.695 1.00 0.00 H new ATOM 0 HD3 PRO A 44 15.965 0.562 -2.102 1.00 0.00 H new ATOM 705 N LEU A 45 12.425 0.241 2.022 1.00 0.00 N ATOM 706 CA LEU A 45 11.367 0.725 2.931 1.00 0.00 C ATOM 707 C LEU A 45 10.222 1.465 2.202 1.00 0.00 C ATOM 708 O LEU A 45 10.406 2.135 1.185 1.00 0.00 O ATOM 709 CB LEU A 45 11.936 1.459 4.163 1.00 0.00 C ATOM 710 CG LEU A 45 12.717 0.509 5.096 1.00 0.00 C ATOM 711 CD1 LEU A 45 13.655 1.307 6.003 1.00 0.00 C ATOM 712 CD2 LEU A 45 11.783 -0.315 5.986 1.00 0.00 C ATOM 0 H LEU A 45 12.402 -0.776 1.951 1.00 0.00 H new ATOM 0 HA LEU A 45 10.880 -0.161 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 45 12.593 2.264 3.833 1.00 0.00 H new ATOM 0 HB3 LEU A 45 11.120 1.921 4.718 1.00 0.00 H new ATOM 0 HG LEU A 45 13.283 -0.166 4.454 1.00 0.00 H new ATOM 0 HD11 LEU A 45 14.199 0.624 6.655 1.00 0.00 H new ATOM 0 HD12 LEU A 45 14.363 1.866 5.392 1.00 0.00 H new ATOM 0 HD13 LEU A 45 13.072 2.000 6.609 1.00 0.00 H new ATOM 0 HD21 LEU A 45 12.374 -0.970 6.626 1.00 0.00 H new ATOM 0 HD22 LEU A 45 11.185 0.355 6.605 1.00 0.00 H new ATOM 0 HD23 LEU A 45 11.123 -0.917 5.362 1.00 0.00 H new ATOM 724 N SER A 46 9.006 1.308 2.741 1.00 0.00 N ATOM 725 CA SER A 46 7.730 1.725 2.146 1.00 0.00 C ATOM 726 C SER A 46 6.771 2.223 3.222 1.00 0.00 C ATOM 727 O SER A 46 6.344 3.374 3.219 1.00 0.00 O ATOM 728 CB SER A 46 7.090 0.590 1.341 1.00 0.00 C ATOM 729 OG SER A 46 6.162 1.138 0.422 1.00 0.00 O ATOM 0 H SER A 46 8.879 0.864 3.650 1.00 0.00 H new ATOM 0 HA SER A 46 7.939 2.545 1.459 1.00 0.00 H new ATOM 0 HB2 SER A 46 7.857 0.027 0.810 1.00 0.00 H new ATOM 0 HB3 SER A 46 6.588 -0.109 2.010 1.00 0.00 H new ATOM 0 HG SER A 46 6.112 0.566 -0.372 1.00 0.00 H new ATOM 735 N ILE A 47 6.498 1.367 4.210 1.00 0.00 N ATOM 736 CA ILE A 47 5.666 1.629 5.381 1.00 0.00 C ATOM 737 C ILE A 47 6.124 2.780 6.290 1.00 0.00 C ATOM 738 O ILE A 47 5.304 3.447 6.912 1.00 0.00 O ATOM 739 CB ILE A 47 5.476 0.303 6.135 1.00 0.00 C ATOM 740 CG1 ILE A 47 4.249 0.315 7.064 1.00 0.00 C ATOM 741 CG2 ILE A 47 6.743 -0.141 6.893 1.00 0.00 C ATOM 742 CD1 ILE A 47 3.600 -1.072 7.074 1.00 0.00 C ATOM 0 H ILE A 47 6.875 0.419 4.212 1.00 0.00 H new ATOM 0 HA ILE A 47 4.709 2.006 5.021 1.00 0.00 H new ATOM 0 HB ILE A 47 5.287 -0.442 5.362 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.548 0.595 8.074 1.00 0.00 H new ATOM 0 HG13 ILE A 47 3.531 1.062 6.725 1.00 0.00 H new ATOM 0 HG21 ILE A 47 6.549 -1.083 7.406 1.00 0.00 H new ATOM 0 HG22 ILE A 47 7.562 -0.275 6.186 1.00 0.00 H new ATOM 0 HG23 ILE A 47 7.016 0.621 7.624 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.731 -1.062 7.732 1.00 0.00 H new ATOM 0 HD12 ILE A 47 3.287 -1.334 6.063 1.00 0.00 H new ATOM 0 HD13 ILE A 47 4.319 -1.808 7.433 1.00 0.00 H new ATOM 754 N GLU A 48 7.418 3.093 6.283 1.00 0.00 N ATOM 755 CA GLU A 48 8.000 4.283 6.916 1.00 0.00 C ATOM 756 C GLU A 48 7.569 5.586 6.212 1.00 0.00 C ATOM 757 O GLU A 48 7.800 6.684 6.722 1.00 0.00 O ATOM 758 CB GLU A 48 9.536 4.163 6.922 1.00 0.00 C ATOM 759 CG GLU A 48 10.062 3.027 7.811 1.00 0.00 C ATOM 760 CD GLU A 48 9.810 3.298 9.310 1.00 0.00 C ATOM 761 OE1 GLU A 48 10.586 4.066 9.931 1.00 0.00 O ATOM 762 OE2 GLU A 48 8.844 2.736 9.880 1.00 0.00 O ATOM 0 H GLU A 48 8.116 2.509 5.823 1.00 0.00 H new ATOM 0 HA GLU A 48 7.628 4.334 7.939 1.00 0.00 H new ATOM 0 HB2 GLU A 48 9.883 4.004 5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.964 5.106 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 48 9.580 2.092 7.526 1.00 0.00 H new ATOM 0 HG3 GLU A 48 11.131 2.900 7.641 1.00 0.00 H new ATOM 769 N GLU A 49 6.916 5.464 5.052 1.00 0.00 N ATOM 770 CA GLU A 49 6.432 6.554 4.195 1.00 0.00 C ATOM 771 C GLU A 49 4.928 6.423 3.858 1.00 0.00 C ATOM 772 O GLU A 49 4.398 7.165 3.031 1.00 0.00 O ATOM 773 CB GLU A 49 7.322 6.638 2.934 1.00 0.00 C ATOM 774 CG GLU A 49 8.713 7.215 3.239 1.00 0.00 C ATOM 775 CD GLU A 49 9.594 7.299 1.975 1.00 0.00 C ATOM 776 OE1 GLU A 49 9.188 7.935 0.974 1.00 0.00 O ATOM 777 OE2 GLU A 49 10.716 6.735 1.967 1.00 0.00 O ATOM 0 H GLU A 49 6.697 4.547 4.662 1.00 0.00 H new ATOM 0 HA GLU A 49 6.513 7.493 4.742 1.00 0.00 H new ATOM 0 HB2 GLU A 49 7.431 5.643 2.502 1.00 0.00 H new ATOM 0 HB3 GLU A 49 6.830 7.259 2.185 1.00 0.00 H new ATOM 0 HG2 GLU A 49 8.606 8.209 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 49 9.208 6.593 3.985 1.00 0.00 H new ATOM 784 N ILE A 50 4.227 5.489 4.512 1.00 0.00 N ATOM 785 CA ILE A 50 2.839 5.099 4.237 1.00 0.00 C ATOM 786 C ILE A 50 1.803 6.233 4.334 1.00 0.00 C ATOM 787 O ILE A 50 1.878 7.141 5.167 1.00 0.00 O ATOM 788 CB ILE A 50 2.458 3.920 5.157 1.00 0.00 C ATOM 789 CG1 ILE A 50 1.237 3.146 4.633 1.00 0.00 C ATOM 790 CG2 ILE A 50 2.252 4.338 6.626 1.00 0.00 C ATOM 791 CD1 ILE A 50 1.227 1.703 5.149 1.00 0.00 C ATOM 0 H ILE A 50 4.632 4.959 5.284 1.00 0.00 H new ATOM 0 HA ILE A 50 2.807 4.803 3.188 1.00 0.00 H new ATOM 0 HB ILE A 50 3.317 3.249 5.136 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.323 3.652 4.944 1.00 0.00 H new ATOM 0 HG13 ILE A 50 1.246 3.144 3.543 1.00 0.00 H new ATOM 0 HG21 ILE A 50 1.986 3.463 7.219 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.173 4.773 7.013 1.00 0.00 H new ATOM 0 HG23 ILE A 50 1.450 5.074 6.686 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.351 1.184 4.760 1.00 0.00 H new ATOM 0 HD12 ILE A 50 2.130 1.191 4.816 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.193 1.706 6.238 1.00 0.00 H new ATOM 803 N VAL A 51 0.785 6.109 3.485 1.00 0.00 N ATOM 804 CA VAL A 51 -0.456 6.900 3.415 1.00 0.00 C ATOM 805 C VAL A 51 -1.671 5.960 3.393 1.00 0.00 C ATOM 806 O VAL A 51 -2.022 5.411 2.352 1.00 0.00 O ATOM 807 CB VAL A 51 -0.453 7.836 2.185 1.00 0.00 C ATOM 808 CG1 VAL A 51 -1.696 8.738 2.162 1.00 0.00 C ATOM 809 CG2 VAL A 51 0.777 8.757 2.155 1.00 0.00 C ATOM 0 H VAL A 51 0.803 5.390 2.761 1.00 0.00 H new ATOM 0 HA VAL A 51 -0.518 7.531 4.301 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.441 7.175 1.319 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -1.661 9.383 1.284 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.593 8.120 2.123 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -1.717 9.352 3.062 1.00 0.00 H new ATOM 0 HG21 VAL A 51 0.733 9.395 1.272 1.00 0.00 H new ATOM 0 HG22 VAL A 51 0.789 9.378 3.051 1.00 0.00 H new ATOM 0 HG23 VAL A 51 1.683 8.153 2.121 1.00 0.00 H new ATOM 819 N GLU A 52 -2.321 5.721 4.534 1.00 0.00 N ATOM 820 CA GLU A 52 -3.565 4.931 4.587 1.00 0.00 C ATOM 821 C GLU A 52 -4.797 5.750 4.155 1.00 0.00 C ATOM 822 O GLU A 52 -5.008 6.873 4.622 1.00 0.00 O ATOM 823 CB GLU A 52 -3.728 4.303 5.983 1.00 0.00 C ATOM 824 CG GLU A 52 -4.978 3.410 6.076 1.00 0.00 C ATOM 825 CD GLU A 52 -4.935 2.410 7.243 1.00 0.00 C ATOM 826 OE1 GLU A 52 -4.310 2.668 8.296 1.00 0.00 O ATOM 827 OE2 GLU A 52 -5.561 1.329 7.145 1.00 0.00 O ATOM 0 H GLU A 52 -2.008 6.064 5.442 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.489 4.121 3.861 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -2.843 3.712 6.219 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -3.792 5.094 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -5.859 4.043 6.183 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -5.092 2.860 5.142 1.00 0.00 H new ATOM 834 N ILE A 53 -5.626 5.182 3.268 1.00 0.00 N ATOM 835 CA ILE A 53 -6.853 5.812 2.746 1.00 0.00 C ATOM 836 C ILE A 53 -8.004 5.684 3.764 1.00 0.00 C ATOM 837 O ILE A 53 -8.814 6.604 3.897 1.00 0.00 O ATOM 838 CB ILE A 53 -7.230 5.189 1.371 1.00 0.00 C ATOM 839 CG1 ILE A 53 -6.330 5.684 0.211 1.00 0.00 C ATOM 840 CG2 ILE A 53 -8.683 5.492 0.955 1.00 0.00 C ATOM 841 CD1 ILE A 53 -4.885 5.178 0.224 1.00 0.00 C ATOM 0 H ILE A 53 -5.461 4.252 2.883 1.00 0.00 H new ATOM 0 HA ILE A 53 -6.670 6.876 2.594 1.00 0.00 H new ATOM 0 HB ILE A 53 -7.091 4.119 1.528 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.790 5.388 -0.732 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -6.313 6.774 0.229 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -8.888 5.032 -0.012 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -9.367 5.088 1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -8.823 6.570 0.881 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -4.348 5.587 -0.632 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -4.396 5.497 1.145 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -4.880 4.089 0.169 1.00 0.00 H new