USER MOD reduce.3.24.130724 H: found=0, std=0, add=441, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 440 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 15 LYS NZ :NH3+ 163:sc= 0.164 (180deg=0.0509) USER MOD Single : A 18 TYR OH : rot -50:sc= 1.11 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 35:sc= 0.436 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.0978 X(o=-0.098,f=0) USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HD1:sc= -2.08 K(o=-2.1,f=-0.61) USER MOD Single : A 50 ASN : amide:sc= -0.627 X(o=-0.63,f=-0.65) USER MOD Single : A 58 HIS : no HD1:sc= -1.17! C(o=-1.2!,f=-6.1!) USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 81 N PRO A 9 -0.444 11.438 1.291 1.00 0.00 N ATOM 82 CA PRO A 9 -0.493 9.985 1.105 1.00 0.00 C ATOM 83 C PRO A 9 -0.958 9.594 -0.294 1.00 0.00 C ATOM 84 O PRO A 9 -1.718 10.324 -0.931 1.00 0.00 O ATOM 85 CB PRO A 9 -1.509 9.526 2.154 1.00 0.00 C ATOM 86 CG PRO A 9 -2.377 10.715 2.384 1.00 0.00 C ATOM 87 CD PRO A 9 -1.490 11.916 2.211 1.00 0.00 C ATOM 0 HA PRO A 9 0.490 9.528 1.215 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -2.089 8.675 1.798 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -1.015 9.212 3.074 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -3.205 10.736 1.675 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.813 10.693 3.383 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -2.036 12.762 1.794 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.070 12.245 3.161 1.00 0.00 H new ATOM 95 N ILE A 10 -0.499 8.440 -0.765 1.00 0.00 N ATOM 96 CA ILE A 10 -0.870 7.953 -2.087 1.00 0.00 C ATOM 97 C ILE A 10 -1.890 6.823 -1.991 1.00 0.00 C ATOM 98 O ILE A 10 -1.602 5.760 -1.442 1.00 0.00 O ATOM 99 CB ILE A 10 0.359 7.454 -2.869 1.00 0.00 C ATOM 100 CG1 ILE A 10 1.454 8.524 -2.878 1.00 0.00 C ATOM 101 CG2 ILE A 10 -0.033 7.079 -4.290 1.00 0.00 C ATOM 102 CD1 ILE A 10 2.828 7.980 -3.202 1.00 0.00 C ATOM 0 H ILE A 10 0.131 7.825 -0.250 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.312 8.795 -2.620 1.00 0.00 H new ATOM 0 HB ILE A 10 0.749 6.565 -2.374 1.00 0.00 H new ATOM 0 HG12 ILE A 10 1.195 9.291 -3.607 1.00 0.00 H new ATOM 0 HG13 ILE A 10 1.485 9.009 -1.902 1.00 0.00 H new ATOM 0 HG21 ILE A 10 0.847 6.728 -4.830 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -0.782 6.288 -4.264 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -0.445 7.952 -4.796 1.00 0.00 H new ATOM 0 HD11 ILE A 10 3.553 8.794 -3.191 1.00 0.00 H new ATOM 0 HD12 ILE A 10 3.108 7.233 -2.459 1.00 0.00 H new ATOM 0 HD13 ILE A 10 2.814 7.521 -4.190 1.00 0.00 H new ATOM 114 N GLU A 11 -3.082 7.061 -2.530 1.00 0.00 N ATOM 115 CA GLU A 11 -4.144 6.062 -2.505 1.00 0.00 C ATOM 116 C GLU A 11 -3.894 4.976 -3.547 1.00 0.00 C ATOM 117 O GLU A 11 -3.923 5.237 -4.749 1.00 0.00 O ATOM 118 CB GLU A 11 -5.501 6.723 -2.756 1.00 0.00 C ATOM 119 CG GLU A 11 -6.143 7.291 -1.501 1.00 0.00 C ATOM 120 CD GLU A 11 -7.040 8.478 -1.791 1.00 0.00 C ATOM 121 OE1 GLU A 11 -8.128 8.271 -2.368 1.00 0.00 O ATOM 122 OE2 GLU A 11 -6.655 9.613 -1.442 1.00 0.00 O ATOM 0 H GLU A 11 -3.336 7.936 -2.989 1.00 0.00 H new ATOM 0 HA GLU A 11 -4.150 5.599 -1.518 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -5.376 7.524 -3.485 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -6.176 5.991 -3.200 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -6.726 6.511 -1.011 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -5.362 7.592 -0.803 1.00 0.00 H new ATOM 129 N ALA A 12 -3.647 3.758 -3.076 1.00 0.00 N ATOM 130 CA ALA A 12 -3.393 2.632 -3.967 1.00 0.00 C ATOM 131 C ALA A 12 -4.477 1.568 -3.829 1.00 0.00 C ATOM 132 O ALA A 12 -5.331 1.650 -2.945 1.00 0.00 O ATOM 133 CB ALA A 12 -2.023 2.033 -3.683 1.00 0.00 C ATOM 0 H ALA A 12 -3.617 3.526 -2.083 1.00 0.00 H new ATOM 0 HA ALA A 12 -3.411 3.000 -4.993 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -1.847 1.193 -4.355 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -1.255 2.791 -3.839 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -1.985 1.685 -2.651 1.00 0.00 H new ATOM 139 N ILE A 13 -4.436 0.572 -4.707 1.00 0.00 N ATOM 140 CA ILE A 13 -5.415 -0.508 -4.682 1.00 0.00 C ATOM 141 C ILE A 13 -4.730 -1.870 -4.652 1.00 0.00 C ATOM 142 O ILE A 13 -3.639 -2.040 -5.196 1.00 0.00 O ATOM 143 CB ILE A 13 -6.354 -0.445 -5.900 1.00 0.00 C ATOM 144 CG1 ILE A 13 -7.120 0.880 -5.914 1.00 0.00 C ATOM 145 CG2 ILE A 13 -7.320 -1.620 -5.886 1.00 0.00 C ATOM 146 CD1 ILE A 13 -8.046 1.055 -4.731 1.00 0.00 C ATOM 0 H ILE A 13 -3.736 0.490 -5.444 1.00 0.00 H new ATOM 0 HA ILE A 13 -6.003 -0.380 -3.773 1.00 0.00 H new ATOM 0 HB ILE A 13 -5.752 -0.505 -6.807 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -6.406 1.703 -5.931 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -7.702 0.944 -6.833 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -7.977 -1.561 -6.754 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.758 -2.553 -5.919 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -7.918 -1.589 -4.975 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -8.556 2.016 -4.807 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -8.784 0.252 -4.724 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -7.467 1.023 -3.808 1.00 0.00 H new ATOM 158 N ALA A 14 -5.379 -2.839 -4.014 1.00 0.00 N ATOM 159 CA ALA A 14 -4.834 -4.188 -3.917 1.00 0.00 C ATOM 160 C ALA A 14 -5.076 -4.971 -5.203 1.00 0.00 C ATOM 161 O ALA A 14 -6.217 -5.141 -5.634 1.00 0.00 O ATOM 162 CB ALA A 14 -5.443 -4.918 -2.730 1.00 0.00 C ATOM 0 H ALA A 14 -6.282 -2.715 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 14 -3.757 -4.109 -3.768 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -5.027 -5.924 -2.669 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -5.215 -4.375 -1.813 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -6.524 -4.979 -2.856 1.00 0.00 H new ATOM 168 N LYS A 15 -3.995 -5.446 -5.813 1.00 0.00 N ATOM 169 CA LYS A 15 -4.088 -6.213 -7.050 1.00 0.00 C ATOM 170 C LYS A 15 -4.573 -7.633 -6.775 1.00 0.00 C ATOM 171 O LYS A 15 -5.291 -8.222 -7.583 1.00 0.00 O ATOM 172 CB LYS A 15 -2.730 -6.253 -7.753 1.00 0.00 C ATOM 173 CG LYS A 15 -2.533 -5.134 -8.760 1.00 0.00 C ATOM 174 CD LYS A 15 -1.597 -5.551 -9.882 1.00 0.00 C ATOM 175 CE LYS A 15 -0.270 -6.060 -9.341 1.00 0.00 C ATOM 176 NZ LYS A 15 0.647 -4.943 -8.980 1.00 0.00 N ATOM 0 H LYS A 15 -3.043 -5.313 -5.470 1.00 0.00 H new ATOM 0 HA LYS A 15 -4.812 -5.721 -7.700 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -1.941 -6.199 -7.003 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.622 -7.211 -8.261 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.497 -4.846 -9.178 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -2.129 -4.256 -8.255 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.070 -6.330 -10.481 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -1.420 -4.703 -10.544 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -0.450 -6.680 -8.463 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.207 -6.695 -10.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.403 -5.301 -8.362 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.066 -4.544 -9.845 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 0.113 -4.203 -8.481 1.00 0.00 H new ATOM 190 N PHE A 16 -4.176 -8.177 -5.629 1.00 0.00 N ATOM 191 CA PHE A 16 -4.570 -9.528 -5.247 1.00 0.00 C ATOM 192 C PHE A 16 -4.624 -9.670 -3.729 1.00 0.00 C ATOM 193 O PHE A 16 -3.793 -9.112 -3.013 1.00 0.00 O ATOM 194 CB PHE A 16 -3.595 -10.551 -5.833 1.00 0.00 C ATOM 195 CG PHE A 16 -3.071 -10.173 -7.189 1.00 0.00 C ATOM 196 CD1 PHE A 16 -3.791 -10.476 -8.333 1.00 0.00 C ATOM 197 CD2 PHE A 16 -1.860 -9.513 -7.319 1.00 0.00 C ATOM 198 CE1 PHE A 16 -3.311 -10.130 -9.582 1.00 0.00 C ATOM 199 CE2 PHE A 16 -1.375 -9.163 -8.565 1.00 0.00 C ATOM 200 CZ PHE A 16 -2.102 -9.472 -9.698 1.00 0.00 C ATOM 0 H PHE A 16 -3.582 -7.703 -4.949 1.00 0.00 H new ATOM 0 HA PHE A 16 -5.566 -9.716 -5.647 1.00 0.00 H new ATOM 0 HB2 PHE A 16 -2.755 -10.673 -5.149 1.00 0.00 H new ATOM 0 HB3 PHE A 16 -4.094 -11.518 -5.902 1.00 0.00 H new ATOM 0 HD1 PHE A 16 -4.738 -10.988 -8.248 1.00 0.00 H new ATOM 0 HD2 PHE A 16 -1.288 -9.269 -6.436 1.00 0.00 H new ATOM 0 HE1 PHE A 16 -3.881 -10.374 -10.467 1.00 0.00 H new ATOM 0 HE2 PHE A 16 -0.429 -8.649 -8.653 1.00 0.00 H new ATOM 0 HZ PHE A 16 -1.726 -9.200 -10.673 1.00 0.00 H new ATOM 210 N ASP A 17 -5.608 -10.421 -3.246 1.00 0.00 N ATOM 211 CA ASP A 17 -5.771 -10.638 -1.813 1.00 0.00 C ATOM 212 C ASP A 17 -4.455 -11.073 -1.176 1.00 0.00 C ATOM 213 O ASP A 17 -3.974 -12.181 -1.415 1.00 0.00 O ATOM 214 CB ASP A 17 -6.849 -11.691 -1.555 1.00 0.00 C ATOM 215 CG ASP A 17 -6.835 -12.800 -2.588 1.00 0.00 C ATOM 216 OD1 ASP A 17 -5.811 -13.511 -2.683 1.00 0.00 O ATOM 217 OD2 ASP A 17 -7.847 -12.959 -3.302 1.00 0.00 O ATOM 0 H ASP A 17 -6.304 -10.890 -3.826 1.00 0.00 H new ATOM 0 HA ASP A 17 -6.079 -9.695 -1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -6.703 -12.120 -0.564 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -7.828 -11.212 -1.554 1.00 0.00 H new ATOM 222 N TYR A 18 -3.877 -10.193 -0.366 1.00 0.00 N ATOM 223 CA TYR A 18 -2.614 -10.484 0.303 1.00 0.00 C ATOM 224 C TYR A 18 -2.792 -10.503 1.818 1.00 0.00 C ATOM 225 O TYR A 18 -3.577 -9.734 2.373 1.00 0.00 O ATOM 226 CB TYR A 18 -1.557 -9.449 -0.085 1.00 0.00 C ATOM 227 CG TYR A 18 -0.171 -9.781 0.420 1.00 0.00 C ATOM 228 CD1 TYR A 18 0.180 -9.557 1.745 1.00 0.00 C ATOM 229 CD2 TYR A 18 0.788 -10.320 -0.429 1.00 0.00 C ATOM 230 CE1 TYR A 18 1.446 -9.858 2.210 1.00 0.00 C ATOM 231 CE2 TYR A 18 2.056 -10.626 0.027 1.00 0.00 C ATOM 232 CZ TYR A 18 2.380 -10.392 1.347 1.00 0.00 C ATOM 233 OH TYR A 18 3.641 -10.695 1.807 1.00 0.00 O ATOM 0 H TYR A 18 -4.263 -9.272 -0.157 1.00 0.00 H new ATOM 0 HA TYR A 18 -2.281 -11.471 -0.018 1.00 0.00 H new ATOM 0 HB2 TYR A 18 -1.528 -9.362 -1.171 1.00 0.00 H new ATOM 0 HB3 TYR A 18 -1.853 -8.475 0.305 1.00 0.00 H new ATOM 0 HD1 TYR A 18 -0.549 -9.140 2.424 1.00 0.00 H new ATOM 0 HD2 TYR A 18 0.538 -10.503 -1.464 1.00 0.00 H new ATOM 0 HE1 TYR A 18 1.703 -9.676 3.243 1.00 0.00 H new ATOM 0 HE2 TYR A 18 2.789 -11.046 -0.646 1.00 0.00 H new ATOM 0 HH TYR A 18 4.008 -9.924 2.287 1.00 0.00 H new ATOM 243 N VAL A 19 -2.056 -11.389 2.482 1.00 0.00 N ATOM 244 CA VAL A 19 -2.129 -11.509 3.933 1.00 0.00 C ATOM 245 C VAL A 19 -0.751 -11.359 4.568 1.00 0.00 C ATOM 246 O VAL A 19 0.137 -12.182 4.349 1.00 0.00 O ATOM 247 CB VAL A 19 -2.732 -12.862 4.355 1.00 0.00 C ATOM 248 CG1 VAL A 19 -1.969 -14.010 3.712 1.00 0.00 C ATOM 249 CG2 VAL A 19 -2.734 -12.995 5.870 1.00 0.00 C ATOM 0 H VAL A 19 -1.402 -12.034 2.038 1.00 0.00 H new ATOM 0 HA VAL A 19 -2.777 -10.706 4.284 1.00 0.00 H new ATOM 0 HB VAL A 19 -3.765 -12.904 4.008 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -2.409 -14.958 4.022 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -2.024 -13.921 2.627 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -0.926 -13.975 4.026 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -3.163 -13.957 6.150 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -1.711 -12.932 6.242 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -3.329 -12.192 6.305 1.00 0.00 H new ATOM 259 N GLY A 20 -0.580 -10.302 5.356 1.00 0.00 N ATOM 260 CA GLY A 20 0.693 -10.064 6.011 1.00 0.00 C ATOM 261 C GLY A 20 1.228 -11.300 6.707 1.00 0.00 C ATOM 262 O GLY A 20 0.641 -11.774 7.680 1.00 0.00 O ATOM 0 H GLY A 20 -1.300 -9.607 5.552 1.00 0.00 H new ATOM 0 HA2 GLY A 20 1.419 -9.723 5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 20 0.579 -9.262 6.740 1.00 0.00 H new ATOM 266 N ARG A 21 2.342 -11.823 6.207 1.00 0.00 N ATOM 267 CA ARG A 21 2.954 -13.013 6.786 1.00 0.00 C ATOM 268 C ARG A 21 3.481 -12.726 8.189 1.00 0.00 C ATOM 269 O ARG A 21 3.493 -13.605 9.052 1.00 0.00 O ATOM 270 CB ARG A 21 4.092 -13.513 5.894 1.00 0.00 C ATOM 271 CG ARG A 21 3.649 -14.528 4.854 1.00 0.00 C ATOM 272 CD ARG A 21 3.758 -15.950 5.382 1.00 0.00 C ATOM 273 NE ARG A 21 3.988 -16.916 4.311 1.00 0.00 N ATOM 274 CZ ARG A 21 4.446 -18.146 4.517 1.00 0.00 C ATOM 275 NH1 ARG A 21 4.720 -18.558 5.747 1.00 0.00 N ATOM 276 NH2 ARG A 21 4.630 -18.967 3.490 1.00 0.00 N ATOM 0 H ARG A 21 2.839 -11.442 5.402 1.00 0.00 H new ATOM 0 HA ARG A 21 2.189 -13.787 6.855 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.547 -12.661 5.388 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.864 -13.960 6.520 1.00 0.00 H new ATOM 0 HG2 ARG A 21 2.619 -14.325 4.562 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.261 -14.423 3.958 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.573 -16.007 6.103 1.00 0.00 H new ATOM 0 HD3 ARG A 21 2.843 -16.210 5.914 1.00 0.00 H new ATOM 0 HE ARG A 21 3.786 -16.631 3.353 1.00 0.00 H new ATOM 0 HH11 ARG A 21 4.579 -17.930 6.538 1.00 0.00 H new ATOM 0 HH12 ARG A 21 5.071 -19.503 5.902 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.420 -18.653 2.542 1.00 0.00 H new ATOM 0 HH22 ARG A 21 4.982 -19.911 3.649 1.00 0.00 H new ATOM 290 N THR A 22 3.917 -11.490 8.411 1.00 0.00 N ATOM 291 CA THR A 22 4.447 -11.087 9.707 1.00 0.00 C ATOM 292 C THR A 22 3.730 -9.849 10.233 1.00 0.00 C ATOM 293 O THR A 22 2.962 -9.211 9.513 1.00 0.00 O ATOM 294 CB THR A 22 5.958 -10.798 9.631 1.00 0.00 C ATOM 295 OG1 THR A 22 6.203 -9.704 8.740 1.00 0.00 O ATOM 296 CG2 THR A 22 6.721 -12.026 9.157 1.00 0.00 C ATOM 0 H THR A 22 3.913 -10.750 7.709 1.00 0.00 H new ATOM 0 HA THR A 22 4.278 -11.919 10.390 1.00 0.00 H new ATOM 0 HB THR A 22 6.307 -10.537 10.630 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.166 -9.525 8.698 1.00 0.00 H new ATOM 0 HG21 THR A 22 7.786 -11.798 9.111 1.00 0.00 H new ATOM 0 HG22 THR A 22 6.556 -12.848 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 22 6.369 -12.313 8.166 1.00 0.00 H new ATOM 304 N ALA A 23 3.986 -9.513 11.494 1.00 0.00 N ATOM 305 CA ALA A 23 3.367 -8.350 12.115 1.00 0.00 C ATOM 306 C ALA A 23 3.639 -7.086 11.307 1.00 0.00 C ATOM 307 O ALA A 23 2.752 -6.252 11.124 1.00 0.00 O ATOM 308 CB ALA A 23 3.868 -8.184 13.542 1.00 0.00 C ATOM 0 H ALA A 23 4.618 -10.031 12.105 1.00 0.00 H new ATOM 0 HA ALA A 23 2.289 -8.511 12.136 1.00 0.00 H new ATOM 0 HB1 ALA A 23 3.397 -7.311 13.994 1.00 0.00 H new ATOM 0 HB2 ALA A 23 3.617 -9.072 14.121 1.00 0.00 H new ATOM 0 HB3 ALA A 23 4.950 -8.050 13.535 1.00 0.00 H new ATOM 314 N ARG A 24 4.870 -6.950 10.827 1.00 0.00 N ATOM 315 CA ARG A 24 5.260 -5.786 10.039 1.00 0.00 C ATOM 316 C ARG A 24 4.338 -5.610 8.836 1.00 0.00 C ATOM 317 O ARG A 24 3.786 -4.532 8.617 1.00 0.00 O ATOM 318 CB ARG A 24 6.709 -5.923 9.569 1.00 0.00 C ATOM 319 CG ARG A 24 7.725 -5.378 10.560 1.00 0.00 C ATOM 320 CD ARG A 24 8.148 -6.440 11.564 1.00 0.00 C ATOM 321 NE ARG A 24 7.235 -6.511 12.702 1.00 0.00 N ATOM 322 CZ ARG A 24 7.532 -7.121 13.844 1.00 0.00 C ATOM 323 NH1 ARG A 24 8.711 -7.708 14.000 1.00 0.00 N ATOM 324 NH2 ARG A 24 6.649 -7.143 14.835 1.00 0.00 N ATOM 0 H ARG A 24 5.615 -7.631 10.970 1.00 0.00 H new ATOM 0 HA ARG A 24 5.173 -4.904 10.674 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.924 -6.975 9.383 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.825 -5.401 8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 24 8.601 -5.014 10.022 1.00 0.00 H new ATOM 0 HG3 ARG A 24 7.299 -4.525 11.088 1.00 0.00 H new ATOM 0 HD2 ARG A 24 8.188 -7.411 11.070 1.00 0.00 H new ATOM 0 HD3 ARG A 24 9.155 -6.222 11.920 1.00 0.00 H new ATOM 0 HE ARG A 24 6.320 -6.068 12.615 1.00 0.00 H new ATOM 0 HH11 ARG A 24 9.393 -7.692 13.242 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.936 -8.175 14.878 1.00 0.00 H new ATOM 0 HH21 ARG A 24 5.742 -6.691 14.720 1.00 0.00 H new ATOM 0 HH22 ARG A 24 6.878 -7.612 15.712 1.00 0.00 H new ATOM 338 N GLU A 25 4.176 -6.678 8.060 1.00 0.00 N ATOM 339 CA GLU A 25 3.322 -6.640 6.879 1.00 0.00 C ATOM 340 C GLU A 25 1.861 -6.437 7.270 1.00 0.00 C ATOM 341 O GLU A 25 1.512 -6.472 8.451 1.00 0.00 O ATOM 342 CB GLU A 25 3.471 -7.933 6.073 1.00 0.00 C ATOM 343 CG GLU A 25 4.606 -7.893 5.063 1.00 0.00 C ATOM 344 CD GLU A 25 4.162 -7.376 3.708 1.00 0.00 C ATOM 345 OE1 GLU A 25 4.158 -6.142 3.517 1.00 0.00 O ATOM 346 OE2 GLU A 25 3.819 -8.205 2.840 1.00 0.00 O ATOM 0 H GLU A 25 4.624 -7.579 8.228 1.00 0.00 H new ATOM 0 HA GLU A 25 3.635 -5.798 6.262 1.00 0.00 H new ATOM 0 HB2 GLU A 25 3.636 -8.763 6.760 1.00 0.00 H new ATOM 0 HB3 GLU A 25 2.537 -8.135 5.549 1.00 0.00 H new ATOM 0 HG2 GLU A 25 5.406 -7.259 5.446 1.00 0.00 H new ATOM 0 HG3 GLU A 25 5.021 -8.894 4.948 1.00 0.00 H new ATOM 353 N LEU A 26 1.012 -6.225 6.271 1.00 0.00 N ATOM 354 CA LEU A 26 -0.412 -6.016 6.509 1.00 0.00 C ATOM 355 C LEU A 26 -1.250 -6.993 5.691 1.00 0.00 C ATOM 356 O LEU A 26 -0.810 -7.487 4.653 1.00 0.00 O ATOM 357 CB LEU A 26 -0.802 -4.578 6.161 1.00 0.00 C ATOM 358 CG LEU A 26 0.008 -3.478 6.850 1.00 0.00 C ATOM 359 CD1 LEU A 26 -0.226 -2.138 6.170 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.349 -3.399 8.327 1.00 0.00 C ATOM 0 H LEU A 26 1.285 -6.193 5.289 1.00 0.00 H new ATOM 0 HA LEU A 26 -0.608 -6.194 7.566 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.710 -4.448 5.083 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -1.854 -4.437 6.410 1.00 0.00 H new ATOM 0 HG LEU A 26 1.066 -3.725 6.766 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.358 -1.368 6.673 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.080 -2.201 5.126 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -1.284 -1.883 6.223 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.237 -2.611 8.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.411 -3.176 8.433 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.129 -4.353 8.806 1.00 0.00 H new ATOM 372 N SER A 27 -2.462 -7.267 6.165 1.00 0.00 N ATOM 373 CA SER A 27 -3.361 -8.187 5.479 1.00 0.00 C ATOM 374 C SER A 27 -4.512 -7.431 4.822 1.00 0.00 C ATOM 375 O SER A 27 -5.294 -6.759 5.495 1.00 0.00 O ATOM 376 CB SER A 27 -3.911 -9.223 6.461 1.00 0.00 C ATOM 377 OG SER A 27 -4.625 -8.600 7.515 1.00 0.00 O ATOM 0 H SER A 27 -2.843 -6.865 7.021 1.00 0.00 H new ATOM 0 HA SER A 27 -2.794 -8.699 4.702 1.00 0.00 H new ATOM 0 HB2 SER A 27 -4.567 -9.916 5.934 1.00 0.00 H new ATOM 0 HB3 SER A 27 -3.090 -9.811 6.872 1.00 0.00 H new ATOM 0 HG SER A 27 -5.095 -7.812 7.171 1.00 0.00 H new ATOM 383 N PHE A 28 -4.611 -7.548 3.502 1.00 0.00 N ATOM 384 CA PHE A 28 -5.665 -6.876 2.751 1.00 0.00 C ATOM 385 C PHE A 28 -6.235 -7.793 1.673 1.00 0.00 C ATOM 386 O PHE A 28 -5.607 -8.779 1.285 1.00 0.00 O ATOM 387 CB PHE A 28 -5.129 -5.593 2.114 1.00 0.00 C ATOM 388 CG PHE A 28 -3.866 -5.797 1.327 1.00 0.00 C ATOM 389 CD1 PHE A 28 -3.905 -6.366 0.064 1.00 0.00 C ATOM 390 CD2 PHE A 28 -2.639 -5.420 1.850 1.00 0.00 C ATOM 391 CE1 PHE A 28 -2.745 -6.555 -0.663 1.00 0.00 C ATOM 392 CE2 PHE A 28 -1.476 -5.606 1.128 1.00 0.00 C ATOM 393 CZ PHE A 28 -1.529 -6.176 -0.130 1.00 0.00 C ATOM 0 H PHE A 28 -3.974 -8.102 2.930 1.00 0.00 H new ATOM 0 HA PHE A 28 -6.465 -6.621 3.446 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -5.893 -5.176 1.458 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -4.945 -4.857 2.897 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -4.853 -6.665 -0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -2.592 -4.976 2.833 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -2.790 -6.999 -1.647 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -0.526 -5.306 1.546 1.00 0.00 H new ATOM 0 HZ PHE A 28 -0.621 -6.325 -0.695 1.00 0.00 H new ATOM 403 N LYS A 29 -7.428 -7.462 1.193 1.00 0.00 N ATOM 404 CA LYS A 29 -8.085 -8.253 0.159 1.00 0.00 C ATOM 405 C LYS A 29 -7.998 -7.558 -1.196 1.00 0.00 C ATOM 406 O LYS A 29 -7.687 -6.369 -1.276 1.00 0.00 O ATOM 407 CB LYS A 29 -9.550 -8.496 0.527 1.00 0.00 C ATOM 408 CG LYS A 29 -9.740 -9.551 1.603 1.00 0.00 C ATOM 409 CD LYS A 29 -9.625 -8.954 2.996 1.00 0.00 C ATOM 410 CE LYS A 29 -10.919 -8.276 3.420 1.00 0.00 C ATOM 411 NZ LYS A 29 -10.677 -7.191 4.411 1.00 0.00 N ATOM 0 H LYS A 29 -7.961 -6.650 1.504 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.571 -9.212 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -9.991 -7.559 0.867 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -10.095 -8.799 -0.367 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -10.717 -10.019 1.486 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.994 -10.336 1.480 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -9.373 -9.738 3.710 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -8.810 -8.230 3.017 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.417 -7.862 2.543 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -11.593 -9.017 3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -11.583 -6.754 4.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -10.225 -7.590 5.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -10.054 -6.471 3.992 1.00 0.00 H new ATOM 425 N LYS A 30 -8.276 -8.305 -2.258 1.00 0.00 N ATOM 426 CA LYS A 30 -8.232 -7.761 -3.610 1.00 0.00 C ATOM 427 C LYS A 30 -9.349 -6.744 -3.823 1.00 0.00 C ATOM 428 O LYS A 30 -10.527 -7.055 -3.648 1.00 0.00 O ATOM 429 CB LYS A 30 -8.350 -8.887 -4.640 1.00 0.00 C ATOM 430 CG LYS A 30 -8.261 -8.407 -6.078 1.00 0.00 C ATOM 431 CD LYS A 30 -8.632 -9.509 -7.057 1.00 0.00 C ATOM 432 CE LYS A 30 -7.623 -10.646 -7.025 1.00 0.00 C ATOM 433 NZ LYS A 30 -7.969 -11.723 -7.994 1.00 0.00 N ATOM 0 H LYS A 30 -8.535 -9.290 -2.209 1.00 0.00 H new ATOM 0 HA LYS A 30 -7.275 -7.257 -3.741 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.561 -9.617 -4.460 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -9.300 -9.402 -4.496 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -8.925 -7.554 -6.220 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.248 -8.061 -6.285 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -9.623 -9.894 -6.815 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -8.687 -9.098 -8.065 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.631 -10.257 -7.253 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.578 -11.063 -6.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -7.257 -12.479 -7.941 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -8.905 -12.112 -7.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -7.987 -11.331 -8.957 1.00 0.00 H new ATOM 447 N GLY A 31 -8.972 -5.527 -4.204 1.00 0.00 N ATOM 448 CA GLY A 31 -9.954 -4.485 -4.437 1.00 0.00 C ATOM 449 C GLY A 31 -10.057 -3.517 -3.275 1.00 0.00 C ATOM 450 O GLY A 31 -10.651 -2.446 -3.401 1.00 0.00 O ATOM 0 H GLY A 31 -8.004 -5.245 -4.355 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -9.690 -3.936 -5.341 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -10.928 -4.941 -4.614 1.00 0.00 H new ATOM 454 N ALA A 32 -9.479 -3.894 -2.139 1.00 0.00 N ATOM 455 CA ALA A 32 -9.509 -3.051 -0.950 1.00 0.00 C ATOM 456 C ALA A 32 -8.612 -1.829 -1.121 1.00 0.00 C ATOM 457 O ALA A 32 -7.530 -1.918 -1.700 1.00 0.00 O ATOM 458 CB ALA A 32 -9.088 -3.850 0.274 1.00 0.00 C ATOM 0 H ALA A 32 -8.984 -4.778 -2.017 1.00 0.00 H new ATOM 0 HA ALA A 32 -10.532 -2.702 -0.808 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -9.115 -3.208 1.154 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -9.771 -4.688 0.414 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -8.076 -4.228 0.131 1.00 0.00 H new ATOM 464 N SER A 33 -9.070 -0.690 -0.613 1.00 0.00 N ATOM 465 CA SER A 33 -8.311 0.551 -0.713 1.00 0.00 C ATOM 466 C SER A 33 -7.215 0.605 0.346 1.00 0.00 C ATOM 467 O SER A 33 -7.457 0.326 1.522 1.00 0.00 O ATOM 468 CB SER A 33 -9.241 1.757 -0.563 1.00 0.00 C ATOM 469 OG SER A 33 -8.628 2.938 -1.051 1.00 0.00 O ATOM 0 H SER A 33 -9.963 -0.601 -0.128 1.00 0.00 H new ATOM 0 HA SER A 33 -7.843 0.583 -1.697 1.00 0.00 H new ATOM 0 HB2 SER A 33 -10.169 1.574 -1.105 1.00 0.00 H new ATOM 0 HB3 SER A 33 -9.506 1.888 0.486 1.00 0.00 H new ATOM 0 HG SER A 33 -9.243 3.694 -0.945 1.00 0.00 H new ATOM 475 N LEU A 34 -6.008 0.965 -0.077 1.00 0.00 N ATOM 476 CA LEU A 34 -4.873 1.056 0.834 1.00 0.00 C ATOM 477 C LEU A 34 -4.189 2.414 0.719 1.00 0.00 C ATOM 478 O LEU A 34 -4.020 2.945 -0.379 1.00 0.00 O ATOM 479 CB LEU A 34 -3.868 -0.060 0.542 1.00 0.00 C ATOM 480 CG LEU A 34 -4.429 -1.483 0.531 1.00 0.00 C ATOM 481 CD1 LEU A 34 -3.589 -2.380 -0.365 1.00 0.00 C ATOM 482 CD2 LEU A 34 -4.489 -2.043 1.944 1.00 0.00 C ATOM 0 H LEU A 34 -5.790 1.199 -1.046 1.00 0.00 H new ATOM 0 HA LEU A 34 -5.247 0.943 1.852 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.410 0.136 -0.427 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.073 -0.010 1.286 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.443 -1.451 0.131 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.003 -3.388 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -3.597 -1.989 -1.382 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.564 -2.407 0.005 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -4.891 -3.056 1.917 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.486 -2.061 2.371 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.133 -1.414 2.558 1.00 0.00 H new ATOM 494 N LEU A 35 -3.797 2.972 1.860 1.00 0.00 N ATOM 495 CA LEU A 35 -3.129 4.268 1.887 1.00 0.00 C ATOM 496 C LEU A 35 -1.618 4.100 2.003 1.00 0.00 C ATOM 497 O LEU A 35 -1.132 3.257 2.759 1.00 0.00 O ATOM 498 CB LEU A 35 -3.651 5.108 3.054 1.00 0.00 C ATOM 499 CG LEU A 35 -3.668 6.622 2.837 1.00 0.00 C ATOM 500 CD1 LEU A 35 -4.784 7.011 1.881 1.00 0.00 C ATOM 501 CD2 LEU A 35 -3.823 7.349 4.165 1.00 0.00 C ATOM 0 H LEU A 35 -3.930 2.547 2.778 1.00 0.00 H new ATOM 0 HA LEU A 35 -3.348 4.781 0.951 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -4.666 4.783 3.284 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.041 4.894 3.931 1.00 0.00 H new ATOM 0 HG LEU A 35 -2.717 6.917 2.393 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -4.781 8.092 1.739 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -4.629 6.518 0.921 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -5.743 6.703 2.297 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -3.833 8.425 3.992 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -4.758 7.049 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.989 7.095 4.819 1.00 0.00 H new ATOM 513 N LEU A 36 -0.878 4.908 1.251 1.00 0.00 N ATOM 514 CA LEU A 36 0.579 4.850 1.271 1.00 0.00 C ATOM 515 C LEU A 36 1.169 6.155 1.798 1.00 0.00 C ATOM 516 O LEU A 36 0.731 7.242 1.421 1.00 0.00 O ATOM 517 CB LEU A 36 1.117 4.564 -0.132 1.00 0.00 C ATOM 518 CG LEU A 36 0.623 3.276 -0.791 1.00 0.00 C ATOM 519 CD1 LEU A 36 1.355 3.031 -2.101 1.00 0.00 C ATOM 520 CD2 LEU A 36 0.801 2.093 0.150 1.00 0.00 C ATOM 0 H LEU A 36 -1.263 5.611 0.620 1.00 0.00 H new ATOM 0 HA LEU A 36 0.877 4.042 1.939 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.855 5.402 -0.778 1.00 0.00 H new ATOM 0 HB3 LEU A 36 2.205 4.528 -0.082 1.00 0.00 H new ATOM 0 HG LEU A 36 -0.440 3.387 -1.007 1.00 0.00 H new ATOM 0 HD11 LEU A 36 0.990 2.110 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 36 1.177 3.865 -2.779 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.424 2.942 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.444 1.185 -0.336 1.00 0.00 H new ATOM 0 HD22 LEU A 36 1.856 1.981 0.398 1.00 0.00 H new ATOM 0 HD23 LEU A 36 0.230 2.265 1.062 1.00 0.00 H new ATOM 532 N TYR A 37 2.164 6.038 2.670 1.00 0.00 N ATOM 533 CA TYR A 37 2.814 7.209 3.248 1.00 0.00 C ATOM 534 C TYR A 37 4.212 7.397 2.669 1.00 0.00 C ATOM 535 O TYR A 37 4.573 8.491 2.235 1.00 0.00 O ATOM 536 CB TYR A 37 2.894 7.073 4.770 1.00 0.00 C ATOM 537 CG TYR A 37 1.544 6.939 5.438 1.00 0.00 C ATOM 538 CD1 TYR A 37 0.490 7.777 5.093 1.00 0.00 C ATOM 539 CD2 TYR A 37 1.322 5.976 6.414 1.00 0.00 C ATOM 540 CE1 TYR A 37 -0.745 7.659 5.701 1.00 0.00 C ATOM 541 CE2 TYR A 37 0.090 5.850 7.026 1.00 0.00 C ATOM 542 CZ TYR A 37 -0.940 6.694 6.666 1.00 0.00 C ATOM 543 OH TYR A 37 -2.168 6.572 7.275 1.00 0.00 O ATOM 0 H TYR A 37 2.538 5.145 2.992 1.00 0.00 H new ATOM 0 HA TYR A 37 2.217 8.086 2.998 1.00 0.00 H new ATOM 0 HB2 TYR A 37 3.500 6.202 5.017 1.00 0.00 H new ATOM 0 HB3 TYR A 37 3.407 7.944 5.178 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.639 8.533 4.337 1.00 0.00 H new ATOM 0 HD2 TYR A 37 2.126 5.314 6.699 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -1.553 8.319 5.422 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -0.066 5.095 7.782 1.00 0.00 H new ATOM 0 HH TYR A 37 -2.137 5.844 7.930 1.00 0.00 H new ATOM 553 N GLN A 38 4.995 6.323 2.666 1.00 0.00 N ATOM 554 CA GLN A 38 6.354 6.370 2.141 1.00 0.00 C ATOM 555 C GLN A 38 6.776 5.007 1.600 1.00 0.00 C ATOM 556 O GLN A 38 6.287 3.971 2.050 1.00 0.00 O ATOM 557 CB GLN A 38 7.329 6.823 3.229 1.00 0.00 C ATOM 558 CG GLN A 38 7.521 8.330 3.283 1.00 0.00 C ATOM 559 CD GLN A 38 8.525 8.828 2.262 1.00 0.00 C ATOM 560 OE1 GLN A 38 8.201 9.650 1.405 1.00 0.00 O ATOM 561 NE2 GLN A 38 9.753 8.330 2.348 1.00 0.00 N ATOM 0 H GLN A 38 4.711 5.410 3.021 1.00 0.00 H new ATOM 0 HA GLN A 38 6.375 7.089 1.322 1.00 0.00 H new ATOM 0 HB2 GLN A 38 6.967 6.476 4.197 1.00 0.00 H new ATOM 0 HB3 GLN A 38 8.295 6.348 3.061 1.00 0.00 H new ATOM 0 HG2 GLN A 38 6.563 8.821 3.114 1.00 0.00 H new ATOM 0 HG3 GLN A 38 7.853 8.615 4.282 1.00 0.00 H new ATOM 0 HE21 GLN A 38 9.978 7.650 3.075 1.00 0.00 H new ATOM 0 HE22 GLN A 38 10.471 8.627 1.688 1.00 0.00 H new ATOM 570 N ARG A 39 7.685 5.017 0.631 1.00 0.00 N ATOM 571 CA ARG A 39 8.171 3.782 0.027 1.00 0.00 C ATOM 572 C ARG A 39 9.283 3.165 0.871 1.00 0.00 C ATOM 573 O ARG A 39 10.444 3.557 0.767 1.00 0.00 O ATOM 574 CB ARG A 39 8.680 4.048 -1.390 1.00 0.00 C ATOM 575 CG ARG A 39 9.232 2.812 -2.082 1.00 0.00 C ATOM 576 CD ARG A 39 8.143 2.057 -2.826 1.00 0.00 C ATOM 577 NE ARG A 39 8.687 1.223 -3.895 1.00 0.00 N ATOM 578 CZ ARG A 39 8.997 1.685 -5.101 1.00 0.00 C ATOM 579 NH1 ARG A 39 8.818 2.966 -5.391 1.00 0.00 N ATOM 580 NH2 ARG A 39 9.487 0.864 -6.021 1.00 0.00 N ATOM 0 H ARG A 39 8.100 5.866 0.247 1.00 0.00 H new ATOM 0 HA ARG A 39 7.340 3.078 -0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 39 7.866 4.456 -1.989 1.00 0.00 H new ATOM 0 HB3 ARG A 39 9.459 4.810 -1.350 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.016 3.104 -2.781 1.00 0.00 H new ATOM 0 HG3 ARG A 39 9.692 2.155 -1.344 1.00 0.00 H new ATOM 0 HD2 ARG A 39 7.591 1.432 -2.124 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.432 2.768 -3.247 1.00 0.00 H new ATOM 0 HE ARG A 39 8.837 0.232 -3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 39 8.441 3.600 -4.687 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.057 3.317 -6.318 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.626 -0.123 -5.802 1.00 0.00 H new ATOM 0 HH22 ARG A 39 9.725 1.219 -6.947 1.00 0.00 H new ATOM 594 N ALA A 40 8.917 2.198 1.707 1.00 0.00 N ATOM 595 CA ALA A 40 9.883 1.526 2.567 1.00 0.00 C ATOM 596 C ALA A 40 11.074 1.017 1.763 1.00 0.00 C ATOM 597 O ALA A 40 12.225 1.182 2.167 1.00 0.00 O ATOM 598 CB ALA A 40 9.217 0.379 3.312 1.00 0.00 C ATOM 0 H ALA A 40 7.959 1.863 1.807 1.00 0.00 H new ATOM 0 HA ALA A 40 10.252 2.251 3.293 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.950 -0.114 3.951 1.00 0.00 H new ATOM 0 HB2 ALA A 40 8.404 0.767 3.925 1.00 0.00 H new ATOM 0 HB3 ALA A 40 8.820 -0.339 2.594 1.00 0.00 H new ATOM 604 N SER A 41 10.790 0.397 0.622 1.00 0.00 N ATOM 605 CA SER A 41 11.839 -0.140 -0.238 1.00 0.00 C ATOM 606 C SER A 41 11.326 -0.339 -1.661 1.00 0.00 C ATOM 607 O SER A 41 10.125 -0.247 -1.918 1.00 0.00 O ATOM 608 CB SER A 41 12.355 -1.468 0.321 1.00 0.00 C ATOM 609 OG SER A 41 13.651 -1.758 -0.172 1.00 0.00 O ATOM 0 H SER A 41 9.843 0.254 0.272 1.00 0.00 H new ATOM 0 HA SER A 41 12.658 0.579 -0.263 1.00 0.00 H new ATOM 0 HB2 SER A 41 12.378 -1.424 1.410 1.00 0.00 H new ATOM 0 HB3 SER A 41 11.671 -2.271 0.049 1.00 0.00 H new ATOM 0 HG SER A 41 13.960 -2.610 0.201 1.00 0.00 H new ATOM 615 N ASP A 42 12.244 -0.611 -2.581 1.00 0.00 N ATOM 616 CA ASP A 42 11.887 -0.824 -3.979 1.00 0.00 C ATOM 617 C ASP A 42 10.901 -1.980 -4.117 1.00 0.00 C ATOM 618 O ASP A 42 10.232 -2.119 -5.141 1.00 0.00 O ATOM 619 CB ASP A 42 13.139 -1.103 -4.811 1.00 0.00 C ATOM 620 CG ASP A 42 13.856 -2.366 -4.373 1.00 0.00 C ATOM 621 OD1 ASP A 42 14.242 -2.447 -3.189 1.00 0.00 O ATOM 622 OD2 ASP A 42 14.031 -3.271 -5.215 1.00 0.00 O ATOM 0 H ASP A 42 13.242 -0.689 -2.384 1.00 0.00 H new ATOM 0 HA ASP A 42 11.410 0.084 -4.349 1.00 0.00 H new ATOM 0 HB2 ASP A 42 12.861 -1.192 -5.861 1.00 0.00 H new ATOM 0 HB3 ASP A 42 13.820 -0.256 -4.732 1.00 0.00 H new ATOM 627 N ASP A 43 10.817 -2.807 -3.081 1.00 0.00 N ATOM 628 CA ASP A 43 9.913 -3.951 -3.087 1.00 0.00 C ATOM 629 C ASP A 43 9.018 -3.943 -1.851 1.00 0.00 C ATOM 630 O ASP A 43 8.541 -4.989 -1.412 1.00 0.00 O ATOM 631 CB ASP A 43 10.708 -5.256 -3.147 1.00 0.00 C ATOM 632 CG ASP A 43 11.238 -5.547 -4.538 1.00 0.00 C ATOM 633 OD1 ASP A 43 10.695 -4.981 -5.509 1.00 0.00 O ATOM 634 OD2 ASP A 43 12.196 -6.341 -4.654 1.00 0.00 O ATOM 0 H ASP A 43 11.364 -2.707 -2.226 1.00 0.00 H new ATOM 0 HA ASP A 43 9.281 -3.878 -3.972 1.00 0.00 H new ATOM 0 HB2 ASP A 43 11.542 -5.203 -2.447 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.073 -6.080 -2.823 1.00 0.00 H new ATOM 639 N TRP A 44 8.797 -2.757 -1.295 1.00 0.00 N ATOM 640 CA TRP A 44 7.961 -2.613 -0.109 1.00 0.00 C ATOM 641 C TRP A 44 7.420 -1.193 0.007 1.00 0.00 C ATOM 642 O TRP A 44 7.869 -0.289 -0.698 1.00 0.00 O ATOM 643 CB TRP A 44 8.756 -2.973 1.147 1.00 0.00 C ATOM 644 CG TRP A 44 9.067 -4.436 1.255 1.00 0.00 C ATOM 645 CD1 TRP A 44 10.305 -5.012 1.258 1.00 0.00 C ATOM 646 CD2 TRP A 44 8.123 -5.506 1.371 1.00 0.00 C ATOM 647 NE1 TRP A 44 10.188 -6.377 1.371 1.00 0.00 N ATOM 648 CE2 TRP A 44 8.860 -6.705 1.443 1.00 0.00 C ATOM 649 CE3 TRP A 44 6.728 -5.569 1.425 1.00 0.00 C ATOM 650 CZ2 TRP A 44 8.246 -7.949 1.563 1.00 0.00 C ATOM 651 CZ3 TRP A 44 6.121 -6.804 1.544 1.00 0.00 C ATOM 652 CH2 TRP A 44 6.879 -7.981 1.613 1.00 0.00 C ATOM 0 H TRP A 44 9.185 -1.882 -1.646 1.00 0.00 H new ATOM 0 HA TRP A 44 7.117 -3.296 -0.205 1.00 0.00 H new ATOM 0 HB2 TRP A 44 9.689 -2.409 1.152 1.00 0.00 H new ATOM 0 HB3 TRP A 44 8.192 -2.663 2.027 1.00 0.00 H new ATOM 0 HD1 TRP A 44 11.239 -4.474 1.183 1.00 0.00 H new ATOM 0 HE1 TRP A 44 10.964 -7.038 1.397 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.135 -4.668 1.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 8.828 -8.857 1.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 5.043 -6.864 1.585 1.00 0.00 H new ATOM 0 HH2 TRP A 44 6.374 -8.931 1.707 1.00 0.00 H new ATOM 663 N TRP A 45 6.454 -1.003 0.898 1.00 0.00 N ATOM 664 CA TRP A 45 5.852 0.310 1.106 1.00 0.00 C ATOM 665 C TRP A 45 5.517 0.529 2.577 1.00 0.00 C ATOM 666 O TRP A 45 5.498 -0.416 3.365 1.00 0.00 O ATOM 667 CB TRP A 45 4.589 0.454 0.255 1.00 0.00 C ATOM 668 CG TRP A 45 4.870 0.842 -1.165 1.00 0.00 C ATOM 669 CD1 TRP A 45 5.204 0.007 -2.192 1.00 0.00 C ATOM 670 CD2 TRP A 45 4.844 2.165 -1.713 1.00 0.00 C ATOM 671 NE1 TRP A 45 5.387 0.730 -3.346 1.00 0.00 N ATOM 672 CE2 TRP A 45 5.171 2.056 -3.079 1.00 0.00 C ATOM 673 CE3 TRP A 45 4.574 3.429 -1.184 1.00 0.00 C ATOM 674 CZ2 TRP A 45 5.235 3.164 -3.919 1.00 0.00 C ATOM 675 CZ3 TRP A 45 4.638 4.529 -2.019 1.00 0.00 C ATOM 676 CH2 TRP A 45 4.966 4.391 -3.374 1.00 0.00 C ATOM 0 H TRP A 45 6.070 -1.741 1.488 1.00 0.00 H new ATOM 0 HA TRP A 45 6.575 1.067 0.802 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.043 -0.490 0.265 1.00 0.00 H new ATOM 0 HB3 TRP A 45 3.939 1.203 0.707 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.309 -1.065 -2.110 1.00 0.00 H new ATOM 0 HE1 TRP A 45 5.642 0.342 -4.254 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.320 3.545 -0.141 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 5.488 3.060 -4.964 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 4.432 5.511 -1.620 1.00 0.00 H new ATOM 0 HH2 TRP A 45 5.007 5.269 -4.001 1.00 0.00 H new ATOM 687 N GLU A 46 5.255 1.780 2.939 1.00 0.00 N ATOM 688 CA GLU A 46 4.922 2.122 4.317 1.00 0.00 C ATOM 689 C GLU A 46 3.633 2.936 4.380 1.00 0.00 C ATOM 690 O GLU A 46 3.635 4.142 4.137 1.00 0.00 O ATOM 691 CB GLU A 46 6.066 2.907 4.963 1.00 0.00 C ATOM 692 CG GLU A 46 7.365 2.124 5.054 1.00 0.00 C ATOM 693 CD GLU A 46 8.210 2.534 6.245 1.00 0.00 C ATOM 694 OE1 GLU A 46 8.214 3.736 6.583 1.00 0.00 O ATOM 695 OE2 GLU A 46 8.867 1.653 6.838 1.00 0.00 O ATOM 0 H GLU A 46 5.267 2.573 2.298 1.00 0.00 H new ATOM 0 HA GLU A 46 4.772 1.193 4.868 1.00 0.00 H new ATOM 0 HB2 GLU A 46 6.240 3.818 4.390 1.00 0.00 H new ATOM 0 HB3 GLU A 46 5.765 3.213 5.965 1.00 0.00 H new ATOM 0 HG2 GLU A 46 7.140 1.060 5.122 1.00 0.00 H new ATOM 0 HG3 GLU A 46 7.938 2.270 4.139 1.00 0.00 H new ATOM 702 N GLY A 47 2.531 2.267 4.706 1.00 0.00 N ATOM 703 CA GLY A 47 1.250 2.943 4.793 1.00 0.00 C ATOM 704 C GLY A 47 0.380 2.394 5.906 1.00 0.00 C ATOM 705 O GLY A 47 0.887 1.878 6.903 1.00 0.00 O ATOM 0 H GLY A 47 2.503 1.268 4.911 1.00 0.00 H new ATOM 0 HA2 GLY A 47 1.415 4.008 4.956 1.00 0.00 H new ATOM 0 HA3 GLY A 47 0.725 2.844 3.843 1.00 0.00 H new ATOM 709 N ARG A 48 -0.934 2.507 5.738 1.00 0.00 N ATOM 710 CA ARG A 48 -1.876 2.021 6.739 1.00 0.00 C ATOM 711 C ARG A 48 -3.069 1.338 6.076 1.00 0.00 C ATOM 712 O ARG A 48 -3.438 1.667 4.948 1.00 0.00 O ATOM 713 CB ARG A 48 -2.360 3.175 7.618 1.00 0.00 C ATOM 714 CG ARG A 48 -3.354 2.752 8.687 1.00 0.00 C ATOM 715 CD ARG A 48 -4.133 3.941 9.227 1.00 0.00 C ATOM 716 NE ARG A 48 -3.421 4.617 10.308 1.00 0.00 N ATOM 717 CZ ARG A 48 -3.993 5.484 11.135 1.00 0.00 C ATOM 718 NH1 ARG A 48 -5.279 5.780 11.006 1.00 0.00 N ATOM 719 NH2 ARG A 48 -3.279 6.058 12.095 1.00 0.00 N ATOM 0 H ARG A 48 -1.370 2.931 4.919 1.00 0.00 H new ATOM 0 HA ARG A 48 -1.360 1.290 7.362 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -1.499 3.640 8.098 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -2.821 3.934 6.985 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -4.047 2.020 8.272 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.824 2.262 9.504 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.321 4.648 8.419 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.105 3.604 9.588 1.00 0.00 H new ATOM 0 HE ARG A 48 -2.430 4.412 10.435 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.832 5.341 10.270 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -5.715 6.446 11.643 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -2.289 5.833 12.198 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -3.720 6.724 12.730 1.00 0.00 H new ATOM 733 N HIS A 49 -3.667 0.385 6.783 1.00 0.00 N ATOM 734 CA HIS A 49 -4.819 -0.344 6.263 1.00 0.00 C ATOM 735 C HIS A 49 -5.812 -0.657 7.378 1.00 0.00 C ATOM 736 O HIS A 49 -5.454 -1.252 8.393 1.00 0.00 O ATOM 737 CB HIS A 49 -4.366 -1.640 5.590 1.00 0.00 C ATOM 738 CG HIS A 49 -5.468 -2.638 5.409 1.00 0.00 C ATOM 739 ND1 HIS A 49 -5.602 -3.763 6.195 1.00 0.00 N ATOM 740 CD2 HIS A 49 -6.493 -2.674 4.526 1.00 0.00 C ATOM 741 CE1 HIS A 49 -6.660 -4.448 5.803 1.00 0.00 C ATOM 742 NE2 HIS A 49 -7.219 -3.809 4.791 1.00 0.00 N ATOM 0 H HIS A 49 -3.374 0.099 7.717 1.00 0.00 H new ATOM 0 HA HIS A 49 -5.315 0.287 5.525 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -3.938 -1.403 4.616 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -3.573 -2.091 6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -6.701 -1.946 3.756 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -7.009 -5.374 6.236 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -8.054 -4.110 4.288 1.00 0.00 H new ATOM 751 N ASN A 50 -7.062 -0.250 7.181 1.00 0.00 N ATOM 752 CA ASN A 50 -8.108 -0.485 8.170 1.00 0.00 C ATOM 753 C ASN A 50 -7.606 -0.173 9.577 1.00 0.00 C ATOM 754 O ASN A 50 -7.962 -0.851 10.540 1.00 0.00 O ATOM 755 CB ASN A 50 -8.589 -1.936 8.099 1.00 0.00 C ATOM 756 CG ASN A 50 -9.792 -2.190 8.986 1.00 0.00 C ATOM 757 OD1 ASN A 50 -10.801 -1.489 8.899 1.00 0.00 O ATOM 758 ND2 ASN A 50 -9.690 -3.197 9.847 1.00 0.00 N ATOM 0 H ASN A 50 -7.375 0.244 6.345 1.00 0.00 H new ATOM 0 HA ASN A 50 -8.942 0.179 7.945 1.00 0.00 H new ATOM 0 HB2 ASN A 50 -8.843 -2.182 7.068 1.00 0.00 H new ATOM 0 HB3 ASN A 50 -7.777 -2.600 8.394 1.00 0.00 H new ATOM 0 HD21 ASN A 50 -10.467 -3.416 10.470 1.00 0.00 H new ATOM 0 HD22 ASN A 50 -8.835 -3.751 9.884 1.00 0.00 H new ATOM 765 N GLY A 51 -6.776 0.860 9.687 1.00 0.00 N ATOM 766 CA GLY A 51 -6.238 1.245 10.979 1.00 0.00 C ATOM 767 C GLY A 51 -5.077 0.371 11.408 1.00 0.00 C ATOM 768 O GLY A 51 -4.857 0.160 12.601 1.00 0.00 O ATOM 0 H GLY A 51 -6.467 1.437 8.905 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -5.911 2.284 10.938 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -7.027 1.189 11.729 1.00 0.00 H new ATOM 772 N ILE A 52 -4.332 -0.140 10.434 1.00 0.00 N ATOM 773 CA ILE A 52 -3.187 -0.996 10.717 1.00 0.00 C ATOM 774 C ILE A 52 -1.953 -0.537 9.948 1.00 0.00 C ATOM 775 O ILE A 52 -1.921 -0.587 8.718 1.00 0.00 O ATOM 776 CB ILE A 52 -3.482 -2.465 10.363 1.00 0.00 C ATOM 777 CG1 ILE A 52 -4.792 -2.917 11.012 1.00 0.00 C ATOM 778 CG2 ILE A 52 -2.331 -3.358 10.804 1.00 0.00 C ATOM 779 CD1 ILE A 52 -4.729 -2.974 12.522 1.00 0.00 C ATOM 0 H ILE A 52 -4.501 0.024 9.442 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.993 -0.920 11.787 1.00 0.00 H new ATOM 0 HB ILE A 52 -3.587 -2.548 9.281 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -5.589 -2.236 10.715 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.056 -3.903 10.630 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.555 -4.393 10.547 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.416 -3.048 10.299 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.197 -3.273 11.882 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -5.692 -3.302 12.914 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.954 -3.677 12.828 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.496 -1.984 12.914 1.00 0.00 H new ATOM 791 N ASP A 53 -0.938 -0.091 10.680 1.00 0.00 N ATOM 792 CA ASP A 53 0.300 0.375 10.067 1.00 0.00 C ATOM 793 C ASP A 53 1.293 -0.772 9.908 1.00 0.00 C ATOM 794 O ASP A 53 1.531 -1.535 10.843 1.00 0.00 O ATOM 795 CB ASP A 53 0.923 1.491 10.907 1.00 0.00 C ATOM 796 CG ASP A 53 1.708 0.957 12.089 1.00 0.00 C ATOM 797 OD1 ASP A 53 1.081 0.632 13.119 1.00 0.00 O ATOM 798 OD2 ASP A 53 2.949 0.864 11.984 1.00 0.00 O ATOM 0 H ASP A 53 -0.948 -0.042 11.699 1.00 0.00 H new ATOM 0 HA ASP A 53 0.061 0.766 9.078 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.581 2.090 10.278 1.00 0.00 H new ATOM 0 HB3 ASP A 53 0.136 2.153 11.267 1.00 0.00 H new ATOM 803 N GLY A 54 1.869 -0.889 8.715 1.00 0.00 N ATOM 804 CA GLY A 54 2.828 -1.947 8.454 1.00 0.00 C ATOM 805 C GLY A 54 3.487 -1.810 7.096 1.00 0.00 C ATOM 806 O GLY A 54 3.712 -0.699 6.616 1.00 0.00 O ATOM 0 H GLY A 54 1.689 -0.270 7.925 1.00 0.00 H new ATOM 0 HA2 GLY A 54 3.594 -1.938 9.229 1.00 0.00 H new ATOM 0 HA3 GLY A 54 2.325 -2.912 8.515 1.00 0.00 H new ATOM 810 N LEU A 55 3.799 -2.943 6.475 1.00 0.00 N ATOM 811 CA LEU A 55 4.438 -2.945 5.164 1.00 0.00 C ATOM 812 C LEU A 55 3.458 -3.386 4.081 1.00 0.00 C ATOM 813 O LEU A 55 2.529 -4.150 4.345 1.00 0.00 O ATOM 814 CB LEU A 55 5.657 -3.869 5.171 1.00 0.00 C ATOM 815 CG LEU A 55 6.897 -3.339 5.892 1.00 0.00 C ATOM 816 CD1 LEU A 55 7.925 -4.445 6.071 1.00 0.00 C ATOM 817 CD2 LEU A 55 7.499 -2.168 5.127 1.00 0.00 C ATOM 0 H LEU A 55 3.620 -3.871 6.858 1.00 0.00 H new ATOM 0 HA LEU A 55 4.761 -1.928 4.943 1.00 0.00 H new ATOM 0 HB2 LEU A 55 5.369 -4.814 5.632 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.928 -4.088 4.138 1.00 0.00 H new ATOM 0 HG LEU A 55 6.597 -2.987 6.879 1.00 0.00 H new ATOM 0 HD11 LEU A 55 8.800 -4.049 6.586 1.00 0.00 H new ATOM 0 HD12 LEU A 55 7.492 -5.252 6.661 1.00 0.00 H new ATOM 0 HD13 LEU A 55 8.221 -4.828 5.094 1.00 0.00 H new ATOM 0 HD21 LEU A 55 8.380 -1.803 5.654 1.00 0.00 H new ATOM 0 HD22 LEU A 55 7.784 -2.495 4.127 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.764 -1.367 5.051 1.00 0.00 H new ATOM 829 N ILE A 56 3.674 -2.902 2.863 1.00 0.00 N ATOM 830 CA ILE A 56 2.811 -3.249 1.740 1.00 0.00 C ATOM 831 C ILE A 56 3.633 -3.593 0.502 1.00 0.00 C ATOM 832 O ILE A 56 4.493 -2.828 0.065 1.00 0.00 O ATOM 833 CB ILE A 56 1.844 -2.101 1.398 1.00 0.00 C ATOM 834 CG1 ILE A 56 0.950 -1.782 2.598 1.00 0.00 C ATOM 835 CG2 ILE A 56 1.001 -2.463 0.184 1.00 0.00 C ATOM 836 CD1 ILE A 56 0.327 -0.405 2.539 1.00 0.00 C ATOM 0 H ILE A 56 4.438 -2.269 2.628 1.00 0.00 H new ATOM 0 HA ILE A 56 2.233 -4.122 2.043 1.00 0.00 H new ATOM 0 HB ILE A 56 2.429 -1.213 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 56 0.158 -2.528 2.659 1.00 0.00 H new ATOM 0 HG13 ILE A 56 1.538 -1.867 3.512 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.322 -1.642 -0.046 1.00 0.00 H new ATOM 0 HG22 ILE A 56 1.653 -2.645 -0.670 1.00 0.00 H new ATOM 0 HG23 ILE A 56 0.423 -3.362 0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -0.293 -0.248 3.421 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.113 0.349 2.509 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -0.289 -0.322 1.643 1.00 0.00 H new ATOM 848 N PRO A 57 3.362 -4.771 -0.079 1.00 0.00 N ATOM 849 CA PRO A 57 4.063 -5.243 -1.276 1.00 0.00 C ATOM 850 C PRO A 57 3.698 -4.436 -2.518 1.00 0.00 C ATOM 851 O PRO A 57 2.535 -4.088 -2.724 1.00 0.00 O ATOM 852 CB PRO A 57 3.586 -6.690 -1.420 1.00 0.00 C ATOM 853 CG PRO A 57 2.259 -6.721 -0.742 1.00 0.00 C ATOM 854 CD PRO A 57 2.350 -5.733 0.389 1.00 0.00 C ATOM 0 HA PRO A 57 5.144 -5.144 -1.180 1.00 0.00 H new ATOM 0 HB2 PRO A 57 3.502 -6.977 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 57 4.285 -7.385 -0.955 1.00 0.00 H new ATOM 0 HG2 PRO A 57 1.461 -6.451 -1.433 1.00 0.00 H new ATOM 0 HG3 PRO A 57 2.034 -7.721 -0.370 1.00 0.00 H new ATOM 0 HD2 PRO A 57 1.392 -5.249 0.577 1.00 0.00 H new ATOM 0 HD3 PRO A 57 2.653 -6.214 1.319 1.00 0.00 H new ATOM 862 N HIS A 58 4.699 -4.141 -3.341 1.00 0.00 N ATOM 863 CA HIS A 58 4.482 -3.375 -4.564 1.00 0.00 C ATOM 864 C HIS A 58 4.031 -4.285 -5.702 1.00 0.00 C ATOM 865 O HIS A 58 3.786 -3.825 -6.817 1.00 0.00 O ATOM 866 CB HIS A 58 5.761 -2.638 -4.962 1.00 0.00 C ATOM 867 CG HIS A 58 5.600 -1.772 -6.173 1.00 0.00 C ATOM 868 ND1 HIS A 58 5.345 -0.419 -6.103 1.00 0.00 N ATOM 869 CD2 HIS A 58 5.662 -2.073 -7.491 1.00 0.00 C ATOM 870 CE1 HIS A 58 5.255 0.075 -7.325 1.00 0.00 C ATOM 871 NE2 HIS A 58 5.444 -0.909 -8.186 1.00 0.00 N ATOM 0 H HIS A 58 5.667 -4.420 -3.184 1.00 0.00 H new ATOM 0 HA HIS A 58 3.695 -2.645 -4.372 1.00 0.00 H new ATOM 0 HB2 HIS A 58 6.091 -2.022 -4.126 1.00 0.00 H new ATOM 0 HB3 HIS A 58 6.548 -3.368 -5.150 1.00 0.00 H new ATOM 0 HD2 HIS A 58 5.848 -3.048 -7.917 1.00 0.00 H new ATOM 0 HE1 HIS A 58 5.060 1.107 -7.577 1.00 0.00 H new ATOM 0 HE2 HIS A 58 5.430 -0.819 -9.202 1.00 0.00 H new ATOM 879 N GLN A 59 3.924 -5.578 -5.413 1.00 0.00 N ATOM 880 CA GLN A 59 3.503 -6.552 -6.413 1.00 0.00 C ATOM 881 C GLN A 59 2.007 -6.831 -6.306 1.00 0.00 C ATOM 882 O GLN A 59 1.361 -7.190 -7.291 1.00 0.00 O ATOM 883 CB GLN A 59 4.289 -7.854 -6.251 1.00 0.00 C ATOM 884 CG GLN A 59 5.673 -7.811 -6.879 1.00 0.00 C ATOM 885 CD GLN A 59 5.649 -8.113 -8.365 1.00 0.00 C ATOM 886 OE1 GLN A 59 5.558 -9.270 -8.774 1.00 0.00 O ATOM 887 NE2 GLN A 59 5.730 -7.069 -9.182 1.00 0.00 N ATOM 0 H GLN A 59 4.123 -5.975 -4.495 1.00 0.00 H new ATOM 0 HA GLN A 59 3.707 -6.133 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 59 4.388 -8.079 -5.189 1.00 0.00 H new ATOM 0 HB3 GLN A 59 3.721 -8.670 -6.699 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.110 -6.825 -6.719 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.319 -8.531 -6.376 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.804 -6.126 -8.799 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.718 -7.210 -10.192 1.00 0.00 H new ATOM 896 N TYR A 60 1.464 -6.664 -5.106 1.00 0.00 N ATOM 897 CA TYR A 60 0.045 -6.901 -4.869 1.00 0.00 C ATOM 898 C TYR A 60 -0.705 -5.584 -4.694 1.00 0.00 C ATOM 899 O TYR A 60 -1.765 -5.539 -4.069 1.00 0.00 O ATOM 900 CB TYR A 60 -0.148 -7.779 -3.632 1.00 0.00 C ATOM 901 CG TYR A 60 0.521 -9.131 -3.739 1.00 0.00 C ATOM 902 CD1 TYR A 60 1.905 -9.246 -3.734 1.00 0.00 C ATOM 903 CD2 TYR A 60 -0.232 -10.294 -3.844 1.00 0.00 C ATOM 904 CE1 TYR A 60 2.521 -10.478 -3.832 1.00 0.00 C ATOM 905 CE2 TYR A 60 0.374 -11.532 -3.941 1.00 0.00 C ATOM 906 CZ TYR A 60 1.751 -11.618 -3.935 1.00 0.00 C ATOM 907 OH TYR A 60 2.360 -12.849 -4.032 1.00 0.00 O ATOM 0 H TYR A 60 1.985 -6.365 -4.282 1.00 0.00 H new ATOM 0 HA TYR A 60 -0.361 -7.417 -5.739 1.00 0.00 H new ATOM 0 HB2 TYR A 60 0.246 -7.256 -2.760 1.00 0.00 H new ATOM 0 HB3 TYR A 60 -1.215 -7.923 -3.462 1.00 0.00 H new ATOM 0 HD1 TYR A 60 2.511 -8.356 -3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 60 -1.310 -10.229 -3.850 1.00 0.00 H new ATOM 0 HE1 TYR A 60 3.599 -10.549 -3.828 1.00 0.00 H new ATOM 0 HE2 TYR A 60 -0.226 -12.426 -4.021 1.00 0.00 H new ATOM 0 HH TYR A 60 1.676 -13.548 -4.096 1.00 0.00 H new ATOM 917 N ILE A 61 -0.147 -4.514 -5.251 1.00 0.00 N ATOM 918 CA ILE A 61 -0.763 -3.196 -5.158 1.00 0.00 C ATOM 919 C ILE A 61 -0.388 -2.329 -6.355 1.00 0.00 C ATOM 920 O ILE A 61 0.667 -2.512 -6.962 1.00 0.00 O ATOM 921 CB ILE A 61 -0.350 -2.472 -3.863 1.00 0.00 C ATOM 922 CG1 ILE A 61 1.152 -2.177 -3.876 1.00 0.00 C ATOM 923 CG2 ILE A 61 -0.721 -3.306 -2.647 1.00 0.00 C ATOM 924 CD1 ILE A 61 1.504 -0.863 -4.537 1.00 0.00 C ATOM 0 H ILE A 61 0.730 -4.534 -5.771 1.00 0.00 H new ATOM 0 HA ILE A 61 -1.842 -3.351 -5.149 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.888 -1.525 -3.806 1.00 0.00 H new ATOM 0 HG12 ILE A 61 1.521 -2.169 -2.851 1.00 0.00 H new ATOM 0 HG13 ILE A 61 1.668 -2.985 -4.394 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -0.422 -2.780 -1.740 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -1.799 -3.470 -2.633 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -0.209 -4.267 -2.695 1.00 0.00 H new ATOM 0 HD11 ILE A 61 2.584 -0.720 -4.510 1.00 0.00 H new ATOM 0 HD12 ILE A 61 1.165 -0.875 -5.573 1.00 0.00 H new ATOM 0 HD13 ILE A 61 1.016 -0.046 -4.005 1.00 0.00 H new ATOM 936 N VAL A 62 -1.260 -1.382 -6.688 1.00 0.00 N ATOM 937 CA VAL A 62 -1.020 -0.484 -7.811 1.00 0.00 C ATOM 938 C VAL A 62 -1.027 0.973 -7.361 1.00 0.00 C ATOM 939 O VAL A 62 -2.087 1.564 -7.150 1.00 0.00 O ATOM 940 CB VAL A 62 -2.075 -0.673 -8.917 1.00 0.00 C ATOM 941 CG1 VAL A 62 -1.826 0.295 -10.064 1.00 0.00 C ATOM 942 CG2 VAL A 62 -2.074 -2.111 -9.413 1.00 0.00 C ATOM 0 H VAL A 62 -2.138 -1.217 -6.196 1.00 0.00 H new ATOM 0 HA VAL A 62 -0.037 -0.733 -8.211 1.00 0.00 H new ATOM 0 HB VAL A 62 -3.058 -0.457 -8.498 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -2.581 0.147 -10.836 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -1.881 1.319 -9.694 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -0.837 0.114 -10.485 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -2.825 -2.227 -10.194 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -1.091 -2.356 -9.815 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -2.305 -2.782 -8.585 1.00 0.00 H new ATOM 952 N VAL A 63 0.162 1.548 -7.214 1.00 0.00 N ATOM 953 CA VAL A 63 0.293 2.936 -6.790 1.00 0.00 C ATOM 954 C VAL A 63 -0.417 3.876 -7.758 1.00 0.00 C ATOM 955 O VAL A 63 0.131 4.241 -8.798 1.00 0.00 O ATOM 956 CB VAL A 63 1.772 3.352 -6.680 1.00 0.00 C ATOM 957 CG1 VAL A 63 1.891 4.856 -6.481 1.00 0.00 C ATOM 958 CG2 VAL A 63 2.454 2.601 -5.546 1.00 0.00 C ATOM 0 H VAL A 63 1.049 1.073 -7.383 1.00 0.00 H new ATOM 0 HA VAL A 63 -0.172 3.012 -5.807 1.00 0.00 H new ATOM 0 HB VAL A 63 2.274 3.092 -7.612 1.00 0.00 H new ATOM 0 HG11 VAL A 63 2.943 5.131 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 63 1.441 5.372 -7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 63 1.374 5.144 -5.566 1.00 0.00 H new ATOM 0 HG21 VAL A 63 3.498 2.907 -5.483 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.952 2.828 -4.606 1.00 0.00 H new ATOM 0 HG23 VAL A 63 2.401 1.529 -5.736 1.00 0.00 H new