USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 386 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 13 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0116) USER MOD Single : A 17 GLN : amide:sc=-0.00118 X(o=-0.0012,f=-0.068) USER MOD Single : A 19 GLN : amide:sc=-0.00354 K(o=-0.0035,f=-0.85) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 HIS : no HD1:sc=-0.00699 X(o=-0.007,f=-0.14) USER MOD Single : A 36 LYS NZ :NH3+ -179:sc= -2.13 (180deg=-2.15) USER MOD Single : A 40 LYS NZ :NH3+ -136:sc= -0.551 (180deg=-2.4!) USER MOD Single : A 41 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.796 X(o=-0.8,f=-0.72) USER MOD Single : A 58 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 88 N ALA A 9 -0.873 -8.540 -1.402 1.00 0.00 N ATOM 89 CA ALA A 9 -0.529 -7.223 -1.924 1.00 0.00 C ATOM 90 C ALA A 9 -1.243 -6.121 -1.148 1.00 0.00 C ATOM 91 O ALA A 9 -2.184 -6.386 -0.400 1.00 0.00 O ATOM 92 CB ALA A 9 -0.872 -7.135 -3.404 1.00 0.00 C ATOM 0 HA ALA A 9 0.545 -7.081 -1.802 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -0.610 -6.146 -3.780 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -0.312 -7.892 -3.953 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.940 -7.304 -3.541 1.00 0.00 H new ATOM 98 N ALA A 10 -0.789 -4.886 -1.330 1.00 0.00 N ATOM 99 CA ALA A 10 -1.385 -3.744 -0.647 1.00 0.00 C ATOM 100 C ALA A 10 -1.885 -2.706 -1.647 1.00 0.00 C ATOM 101 O ALA A 10 -1.163 -2.318 -2.565 1.00 0.00 O ATOM 102 CB ALA A 10 -0.382 -3.118 0.309 1.00 0.00 C ATOM 0 H ALA A 10 -0.010 -4.650 -1.945 1.00 0.00 H new ATOM 0 HA ALA A 10 -2.241 -4.101 -0.075 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -0.841 -2.267 0.812 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -0.077 -3.856 1.051 1.00 0.00 H new ATOM 0 HB3 ALA A 10 0.492 -2.782 -0.249 1.00 0.00 H new ATOM 108 N ARG A 11 -3.124 -2.262 -1.463 1.00 0.00 N ATOM 109 CA ARG A 11 -3.720 -1.271 -2.350 1.00 0.00 C ATOM 110 C ARG A 11 -3.532 0.138 -1.795 1.00 0.00 C ATOM 111 O ARG A 11 -3.770 0.388 -0.613 1.00 0.00 O ATOM 112 CB ARG A 11 -5.210 -1.560 -2.544 1.00 0.00 C ATOM 113 CG ARG A 11 -5.964 -0.434 -3.233 1.00 0.00 C ATOM 114 CD ARG A 11 -5.432 -0.184 -4.636 1.00 0.00 C ATOM 115 NE ARG A 11 -6.127 -0.989 -5.636 1.00 0.00 N ATOM 116 CZ ARG A 11 -7.427 -0.885 -5.890 1.00 0.00 C ATOM 117 NH1 ARG A 11 -8.169 -0.014 -5.220 1.00 0.00 N ATOM 118 NH2 ARG A 11 -7.987 -1.653 -6.816 1.00 0.00 N ATOM 0 H ARG A 11 -3.734 -2.573 -0.707 1.00 0.00 H new ATOM 0 HA ARG A 11 -3.216 -1.333 -3.315 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -5.321 -2.472 -3.130 1.00 0.00 H new ATOM 0 HB3 ARG A 11 -5.665 -1.749 -1.571 1.00 0.00 H new ATOM 0 HG2 ARG A 11 -7.024 -0.682 -3.284 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -5.878 0.478 -2.642 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -5.540 0.872 -4.882 1.00 0.00 H new ATOM 0 HD3 ARG A 11 -4.366 -0.410 -4.665 1.00 0.00 H new ATOM 0 HE ARG A 11 -5.585 -1.669 -6.169 1.00 0.00 H new ATOM 0 HH11 ARG A 11 -7.742 0.578 -4.508 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -9.167 0.064 -5.417 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -7.419 -2.324 -7.334 1.00 0.00 H new ATOM 0 HH22 ARG A 11 -8.985 -1.572 -7.010 1.00 0.00 H new ATOM 132 N LEU A 12 -3.104 1.055 -2.656 1.00 0.00 N ATOM 133 CA LEU A 12 -2.883 2.439 -2.253 1.00 0.00 C ATOM 134 C LEU A 12 -4.188 3.090 -1.806 1.00 0.00 C ATOM 135 O LEU A 12 -5.153 3.159 -2.567 1.00 0.00 O ATOM 136 CB LEU A 12 -2.271 3.236 -3.406 1.00 0.00 C ATOM 137 CG LEU A 12 -0.744 3.249 -3.477 1.00 0.00 C ATOM 138 CD1 LEU A 12 -0.162 4.011 -2.296 1.00 0.00 C ATOM 139 CD2 LEU A 12 -0.199 1.829 -3.517 1.00 0.00 C ATOM 0 H LEU A 12 -2.903 0.865 -3.638 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.190 2.440 -1.412 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -2.655 2.833 -4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -2.620 4.266 -3.335 1.00 0.00 H new ATOM 0 HG LEU A 12 -0.447 3.757 -4.394 1.00 0.00 H new ATOM 0 HD11 LEU A 12 0.926 4.010 -2.363 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -0.526 5.038 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -0.469 3.531 -1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 12 0.889 1.858 -3.567 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -0.506 1.296 -2.617 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -0.589 1.314 -4.395 1.00 0.00 H new ATOM 151 N LYS A 13 -4.210 3.570 -0.567 1.00 0.00 N ATOM 152 CA LYS A 13 -5.395 4.219 -0.018 1.00 0.00 C ATOM 153 C LYS A 13 -5.569 5.617 -0.603 1.00 0.00 C ATOM 154 O LYS A 13 -6.660 6.186 -0.563 1.00 0.00 O ATOM 155 CB LYS A 13 -5.297 4.301 1.507 1.00 0.00 C ATOM 156 CG LYS A 13 -5.561 2.979 2.206 1.00 0.00 C ATOM 157 CD LYS A 13 -6.043 3.188 3.632 1.00 0.00 C ATOM 158 CE LYS A 13 -7.487 3.663 3.668 1.00 0.00 C ATOM 159 NZ LYS A 13 -8.443 2.552 3.404 1.00 0.00 N ATOM 0 H LYS A 13 -3.420 3.522 0.076 1.00 0.00 H new ATOM 0 HA LYS A 13 -6.265 3.620 -0.288 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -4.303 4.654 1.780 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -6.009 5.042 1.869 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.308 2.414 1.648 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -4.649 2.382 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -5.952 2.255 4.188 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -5.406 3.919 4.129 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -7.701 4.102 4.642 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -7.629 4.449 2.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -9.418 2.905 3.487 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.290 2.183 2.444 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -8.290 1.791 4.096 1.00 0.00 H new ATOM 173 N PHE A 14 -4.487 6.165 -1.147 1.00 0.00 N ATOM 174 CA PHE A 14 -4.520 7.496 -1.741 1.00 0.00 C ATOM 175 C PHE A 14 -3.297 7.729 -2.623 1.00 0.00 C ATOM 176 O PHE A 14 -2.410 6.881 -2.709 1.00 0.00 O ATOM 177 CB PHE A 14 -4.585 8.564 -0.647 1.00 0.00 C ATOM 178 CG PHE A 14 -5.902 8.603 0.075 1.00 0.00 C ATOM 179 CD1 PHE A 14 -7.019 9.163 -0.524 1.00 0.00 C ATOM 180 CD2 PHE A 14 -6.023 8.080 1.352 1.00 0.00 C ATOM 181 CE1 PHE A 14 -8.231 9.201 0.139 1.00 0.00 C ATOM 182 CE2 PHE A 14 -7.232 8.115 2.020 1.00 0.00 C ATOM 183 CZ PHE A 14 -8.339 8.675 1.411 1.00 0.00 C ATOM 0 H PHE A 14 -3.576 5.707 -1.189 1.00 0.00 H new ATOM 0 HA PHE A 14 -5.413 7.567 -2.362 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -3.789 8.382 0.075 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -4.395 9.541 -1.092 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.942 9.574 -1.520 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -5.161 7.639 1.832 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -9.094 9.642 -0.338 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.312 7.706 3.016 1.00 0.00 H new ATOM 0 HZ PHE A 14 -9.286 8.701 1.929 1.00 0.00 H new ATOM 193 N ASP A 15 -3.258 8.885 -3.277 1.00 0.00 N ATOM 194 CA ASP A 15 -2.145 9.231 -4.152 1.00 0.00 C ATOM 195 C ASP A 15 -0.895 9.554 -3.339 1.00 0.00 C ATOM 196 O ASP A 15 -0.956 10.285 -2.350 1.00 0.00 O ATOM 197 CB ASP A 15 -2.515 10.423 -5.036 1.00 0.00 C ATOM 198 CG ASP A 15 -2.739 11.691 -4.235 1.00 0.00 C ATOM 199 OD1 ASP A 15 -3.830 11.835 -3.647 1.00 0.00 O ATOM 200 OD2 ASP A 15 -1.822 12.539 -4.198 1.00 0.00 O ATOM 0 H ASP A 15 -3.985 9.598 -3.217 1.00 0.00 H new ATOM 0 HA ASP A 15 -1.932 8.370 -4.786 1.00 0.00 H new ATOM 0 HB2 ASP A 15 -1.721 10.592 -5.764 1.00 0.00 H new ATOM 0 HB3 ASP A 15 -3.419 10.188 -5.599 1.00 0.00 H new ATOM 205 N PHE A 16 0.238 9.003 -3.762 1.00 0.00 N ATOM 206 CA PHE A 16 1.503 9.231 -3.073 1.00 0.00 C ATOM 207 C PHE A 16 2.480 9.990 -3.965 1.00 0.00 C ATOM 208 O PHE A 16 3.050 9.426 -4.899 1.00 0.00 O ATOM 209 CB PHE A 16 2.119 7.898 -2.641 1.00 0.00 C ATOM 210 CG PHE A 16 3.503 8.034 -2.073 1.00 0.00 C ATOM 211 CD1 PHE A 16 3.690 8.342 -0.734 1.00 0.00 C ATOM 212 CD2 PHE A 16 4.617 7.854 -2.876 1.00 0.00 C ATOM 213 CE1 PHE A 16 4.962 8.468 -0.209 1.00 0.00 C ATOM 214 CE2 PHE A 16 5.892 7.978 -2.357 1.00 0.00 C ATOM 215 CZ PHE A 16 6.064 8.285 -1.021 1.00 0.00 C ATOM 0 H PHE A 16 0.306 8.395 -4.579 1.00 0.00 H new ATOM 0 HA PHE A 16 1.303 9.835 -2.188 1.00 0.00 H new ATOM 0 HB2 PHE A 16 1.473 7.433 -1.896 1.00 0.00 H new ATOM 0 HB3 PHE A 16 2.151 7.227 -3.499 1.00 0.00 H new ATOM 0 HD1 PHE A 16 2.832 8.485 -0.094 1.00 0.00 H new ATOM 0 HD2 PHE A 16 4.488 7.614 -3.921 1.00 0.00 H new ATOM 0 HE1 PHE A 16 5.094 8.709 0.835 1.00 0.00 H new ATOM 0 HE2 PHE A 16 6.752 7.835 -2.994 1.00 0.00 H new ATOM 0 HZ PHE A 16 7.059 8.382 -0.612 1.00 0.00 H new ATOM 225 N GLN A 17 2.668 11.272 -3.670 1.00 0.00 N ATOM 226 CA GLN A 17 3.575 12.110 -4.446 1.00 0.00 C ATOM 227 C GLN A 17 4.984 12.070 -3.865 1.00 0.00 C ATOM 228 O GLN A 17 5.201 12.445 -2.713 1.00 0.00 O ATOM 229 CB GLN A 17 3.066 13.552 -4.483 1.00 0.00 C ATOM 230 CG GLN A 17 3.471 14.307 -5.739 1.00 0.00 C ATOM 231 CD GLN A 17 4.828 14.970 -5.609 1.00 0.00 C ATOM 232 OE1 GLN A 17 5.054 15.777 -4.706 1.00 0.00 O ATOM 233 NE2 GLN A 17 5.741 14.632 -6.512 1.00 0.00 N ATOM 0 H GLN A 17 2.204 11.753 -2.899 1.00 0.00 H new ATOM 0 HA GLN A 17 3.610 11.719 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 17 1.979 13.547 -4.407 1.00 0.00 H new ATOM 0 HB3 GLN A 17 3.444 14.085 -3.611 1.00 0.00 H new ATOM 0 HG2 GLN A 17 3.487 13.618 -6.583 1.00 0.00 H new ATOM 0 HG3 GLN A 17 2.720 15.065 -5.961 1.00 0.00 H new ATOM 0 HE21 GLN A 17 5.511 13.959 -7.243 1.00 0.00 H new ATOM 0 HE22 GLN A 17 6.673 15.045 -6.475 1.00 0.00 H new ATOM 242 N ALA A 18 5.939 11.614 -4.669 1.00 0.00 N ATOM 243 CA ALA A 18 7.327 11.527 -4.234 1.00 0.00 C ATOM 244 C ALA A 18 8.112 12.766 -4.652 1.00 0.00 C ATOM 245 O ALA A 18 8.205 13.082 -5.838 1.00 0.00 O ATOM 246 CB ALA A 18 7.979 10.273 -4.798 1.00 0.00 C ATOM 0 H ALA A 18 5.776 11.299 -5.625 1.00 0.00 H new ATOM 0 HA ALA A 18 7.338 11.472 -3.145 1.00 0.00 H new ATOM 0 HB1 ALA A 18 9.016 10.221 -4.465 1.00 0.00 H new ATOM 0 HB2 ALA A 18 7.440 9.393 -4.446 1.00 0.00 H new ATOM 0 HB3 ALA A 18 7.949 10.306 -5.887 1.00 0.00 H new ATOM 252 N GLN A 19 8.673 13.464 -3.670 1.00 0.00 N ATOM 253 CA GLN A 19 9.448 14.670 -3.937 1.00 0.00 C ATOM 254 C GLN A 19 10.869 14.320 -4.365 1.00 0.00 C ATOM 255 O GLN A 19 11.476 15.024 -5.172 1.00 0.00 O ATOM 256 CB GLN A 19 9.482 15.565 -2.696 1.00 0.00 C ATOM 257 CG GLN A 19 9.951 16.982 -2.981 1.00 0.00 C ATOM 258 CD GLN A 19 9.490 17.972 -1.930 1.00 0.00 C ATOM 259 OE1 GLN A 19 9.066 17.586 -0.840 1.00 0.00 O ATOM 260 NE2 GLN A 19 9.570 19.258 -2.251 1.00 0.00 N ATOM 0 H GLN A 19 8.605 13.215 -2.683 1.00 0.00 H new ATOM 0 HA GLN A 19 8.965 15.209 -4.752 1.00 0.00 H new ATOM 0 HB2 GLN A 19 8.485 15.602 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.140 15.116 -1.952 1.00 0.00 H new ATOM 0 HG2 GLN A 19 11.040 16.996 -3.035 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.579 17.294 -3.957 1.00 0.00 H new ATOM 0 HE21 GLN A 19 9.928 19.534 -3.166 1.00 0.00 H new ATOM 0 HE22 GLN A 19 9.274 19.970 -1.583 1.00 0.00 H new ATOM 269 N SER A 20 11.394 13.228 -3.819 1.00 0.00 N ATOM 270 CA SER A 20 12.746 12.787 -4.141 1.00 0.00 C ATOM 271 C SER A 20 12.721 11.679 -5.190 1.00 0.00 C ATOM 272 O SER A 20 11.712 11.004 -5.392 1.00 0.00 O ATOM 273 CB SER A 20 13.459 12.294 -2.880 1.00 0.00 C ATOM 274 OG SER A 20 14.065 13.370 -2.184 1.00 0.00 O ATOM 0 H SER A 20 10.904 12.632 -3.152 1.00 0.00 H new ATOM 0 HA SER A 20 13.291 13.638 -4.549 1.00 0.00 H new ATOM 0 HB2 SER A 20 12.745 11.791 -2.228 1.00 0.00 H new ATOM 0 HB3 SER A 20 14.217 11.559 -3.151 1.00 0.00 H new ATOM 0 HG SER A 20 14.513 13.030 -1.381 1.00 0.00 H new ATOM 280 N PRO A 21 13.858 11.487 -5.874 1.00 0.00 N ATOM 281 CA PRO A 21 13.993 10.463 -6.914 1.00 0.00 C ATOM 282 C PRO A 21 13.985 9.050 -6.340 1.00 0.00 C ATOM 283 O PRO A 21 13.411 8.133 -6.927 1.00 0.00 O ATOM 284 CB PRO A 21 15.352 10.775 -7.546 1.00 0.00 C ATOM 285 CG PRO A 21 16.115 11.477 -6.476 1.00 0.00 C ATOM 286 CD PRO A 21 15.100 12.256 -5.686 1.00 0.00 C ATOM 0 HA PRO A 21 13.163 10.488 -7.621 1.00 0.00 H new ATOM 0 HB2 PRO A 21 15.860 9.864 -7.862 1.00 0.00 H new ATOM 0 HB3 PRO A 21 15.243 11.402 -8.431 1.00 0.00 H new ATOM 0 HG2 PRO A 21 16.641 10.765 -5.840 1.00 0.00 H new ATOM 0 HG3 PRO A 21 16.868 12.139 -6.904 1.00 0.00 H new ATOM 0 HD2 PRO A 21 15.376 12.323 -4.634 1.00 0.00 H new ATOM 0 HD3 PRO A 21 15.001 13.277 -6.055 1.00 0.00 H new ATOM 294 N LYS A 22 14.627 8.881 -5.189 1.00 0.00 N ATOM 295 CA LYS A 22 14.693 7.580 -4.533 1.00 0.00 C ATOM 296 C LYS A 22 13.294 7.055 -4.224 1.00 0.00 C ATOM 297 O LYS A 22 13.009 5.874 -4.417 1.00 0.00 O ATOM 298 CB LYS A 22 15.509 7.677 -3.242 1.00 0.00 C ATOM 299 CG LYS A 22 16.248 6.397 -2.892 1.00 0.00 C ATOM 300 CD LYS A 22 15.316 5.365 -2.280 1.00 0.00 C ATOM 301 CE LYS A 22 16.092 4.236 -1.618 1.00 0.00 C ATOM 302 NZ LYS A 22 16.445 3.163 -2.589 1.00 0.00 N ATOM 0 H LYS A 22 15.109 9.629 -4.691 1.00 0.00 H new ATOM 0 HA LYS A 22 15.182 6.883 -5.213 1.00 0.00 H new ATOM 0 HB2 LYS A 22 16.230 8.488 -3.338 1.00 0.00 H new ATOM 0 HB3 LYS A 22 14.843 7.938 -2.420 1.00 0.00 H new ATOM 0 HG2 LYS A 22 16.709 5.985 -3.790 1.00 0.00 H new ATOM 0 HG3 LYS A 22 17.054 6.621 -2.193 1.00 0.00 H new ATOM 0 HD2 LYS A 22 14.672 5.846 -1.544 1.00 0.00 H new ATOM 0 HD3 LYS A 22 14.666 4.956 -3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 22 17.002 4.635 -1.170 1.00 0.00 H new ATOM 0 HE3 LYS A 22 15.498 3.812 -0.809 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 16.973 2.412 -2.100 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 15.575 2.765 -2.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 17.034 3.562 -3.348 1.00 0.00 H new ATOM 316 N GLU A 23 12.427 7.941 -3.745 1.00 0.00 N ATOM 317 CA GLU A 23 11.058 7.565 -3.410 1.00 0.00 C ATOM 318 C GLU A 23 10.346 6.970 -4.621 1.00 0.00 C ATOM 319 O GLU A 23 10.766 7.168 -5.762 1.00 0.00 O ATOM 320 CB GLU A 23 10.284 8.780 -2.895 1.00 0.00 C ATOM 321 CG GLU A 23 10.436 9.010 -1.401 1.00 0.00 C ATOM 322 CD GLU A 23 9.908 10.362 -0.962 1.00 0.00 C ATOM 323 OE1 GLU A 23 10.688 11.337 -0.974 1.00 0.00 O ATOM 324 OE2 GLU A 23 8.714 10.445 -0.606 1.00 0.00 O ATOM 0 H GLU A 23 12.648 8.923 -3.580 1.00 0.00 H new ATOM 0 HA GLU A 23 11.097 6.809 -2.626 1.00 0.00 H new ATOM 0 HB2 GLU A 23 10.623 9.669 -3.427 1.00 0.00 H new ATOM 0 HB3 GLU A 23 9.227 8.653 -3.129 1.00 0.00 H new ATOM 0 HG2 GLU A 23 9.907 8.225 -0.861 1.00 0.00 H new ATOM 0 HG3 GLU A 23 11.489 8.930 -1.130 1.00 0.00 H new ATOM 331 N LEU A 24 9.265 6.241 -4.366 1.00 0.00 N ATOM 332 CA LEU A 24 8.493 5.616 -5.434 1.00 0.00 C ATOM 333 C LEU A 24 7.200 6.383 -5.691 1.00 0.00 C ATOM 334 O LEU A 24 6.394 6.585 -4.783 1.00 0.00 O ATOM 335 CB LEU A 24 8.176 4.163 -5.078 1.00 0.00 C ATOM 336 CG LEU A 24 8.027 3.200 -6.256 1.00 0.00 C ATOM 337 CD1 LEU A 24 7.774 1.785 -5.760 1.00 0.00 C ATOM 338 CD2 LEU A 24 6.904 3.653 -7.177 1.00 0.00 C ATOM 0 H LEU A 24 8.903 6.068 -3.428 1.00 0.00 H new ATOM 0 HA LEU A 24 9.093 5.637 -6.344 1.00 0.00 H new ATOM 0 HB2 LEU A 24 8.966 3.789 -4.427 1.00 0.00 H new ATOM 0 HB3 LEU A 24 7.252 4.145 -4.501 1.00 0.00 H new ATOM 0 HG LEU A 24 8.958 3.203 -6.823 1.00 0.00 H new ATOM 0 HD11 LEU A 24 7.671 1.114 -6.612 1.00 0.00 H new ATOM 0 HD12 LEU A 24 8.612 1.461 -5.142 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.858 1.765 -5.169 1.00 0.00 H new ATOM 0 HD21 LEU A 24 6.813 2.956 -8.010 1.00 0.00 H new ATOM 0 HD22 LEU A 24 5.966 3.680 -6.622 1.00 0.00 H new ATOM 0 HD23 LEU A 24 7.127 4.649 -7.560 1.00 0.00 H new ATOM 350 N THR A 25 7.006 6.806 -6.937 1.00 0.00 N ATOM 351 CA THR A 25 5.811 7.549 -7.314 1.00 0.00 C ATOM 352 C THR A 25 4.622 6.615 -7.510 1.00 0.00 C ATOM 353 O THR A 25 4.653 5.723 -8.359 1.00 0.00 O ATOM 354 CB THR A 25 6.035 8.353 -8.609 1.00 0.00 C ATOM 355 OG1 THR A 25 7.239 9.121 -8.506 1.00 0.00 O ATOM 356 CG2 THR A 25 4.859 9.279 -8.881 1.00 0.00 C ATOM 0 H THR A 25 7.662 6.646 -7.702 1.00 0.00 H new ATOM 0 HA THR A 25 5.597 8.239 -6.498 1.00 0.00 H new ATOM 0 HB THR A 25 6.122 7.650 -9.437 1.00 0.00 H new ATOM 0 HG1 THR A 25 7.375 9.628 -9.334 1.00 0.00 H new ATOM 0 HG21 THR A 25 5.040 9.836 -9.800 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.949 8.689 -8.987 1.00 0.00 H new ATOM 0 HG23 THR A 25 4.745 9.976 -8.051 1.00 0.00 H new ATOM 364 N LEU A 26 3.575 6.824 -6.719 1.00 0.00 N ATOM 365 CA LEU A 26 2.374 6.001 -6.806 1.00 0.00 C ATOM 366 C LEU A 26 1.119 6.868 -6.827 1.00 0.00 C ATOM 367 O LEU A 26 1.182 8.072 -6.578 1.00 0.00 O ATOM 368 CB LEU A 26 2.314 5.026 -5.629 1.00 0.00 C ATOM 369 CG LEU A 26 3.576 4.200 -5.377 1.00 0.00 C ATOM 370 CD1 LEU A 26 3.642 3.756 -3.924 1.00 0.00 C ATOM 371 CD2 LEU A 26 3.620 2.996 -6.307 1.00 0.00 C ATOM 0 H LEU A 26 3.534 7.556 -6.010 1.00 0.00 H new ATOM 0 HA LEU A 26 2.418 5.436 -7.737 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.088 5.592 -4.725 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.482 4.341 -5.793 1.00 0.00 H new ATOM 0 HG LEU A 26 4.444 4.826 -5.584 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.547 3.169 -3.764 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.658 4.632 -3.276 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.769 3.147 -3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 26 4.525 2.420 -6.114 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.746 2.369 -6.132 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.621 3.336 -7.343 1.00 0.00 H new ATOM 383 N GLN A 27 -0.018 6.248 -7.123 1.00 0.00 N ATOM 384 CA GLN A 27 -1.287 6.964 -7.174 1.00 0.00 C ATOM 385 C GLN A 27 -2.421 6.100 -6.631 1.00 0.00 C ATOM 386 O GLN A 27 -2.257 4.898 -6.425 1.00 0.00 O ATOM 387 CB GLN A 27 -1.598 7.392 -8.609 1.00 0.00 C ATOM 388 CG GLN A 27 -0.627 8.424 -9.160 1.00 0.00 C ATOM 389 CD GLN A 27 -1.078 8.999 -10.488 1.00 0.00 C ATOM 390 OE1 GLN A 27 -0.759 8.463 -11.550 1.00 0.00 O ATOM 391 NE2 GLN A 27 -1.824 10.096 -10.436 1.00 0.00 N ATOM 0 H GLN A 27 -0.087 5.252 -7.331 1.00 0.00 H new ATOM 0 HA GLN A 27 -1.200 7.852 -6.549 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -1.584 6.512 -9.253 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -2.608 7.799 -8.647 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.514 9.233 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 27 0.354 7.965 -9.281 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.065 10.507 -9.534 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -2.157 10.528 -11.298 1.00 0.00 H new ATOM 400 N LYS A 28 -3.573 6.721 -6.402 1.00 0.00 N ATOM 401 CA LYS A 28 -4.737 6.010 -5.884 1.00 0.00 C ATOM 402 C LYS A 28 -5.234 4.977 -6.889 1.00 0.00 C ATOM 403 O LYS A 28 -5.301 5.245 -8.088 1.00 0.00 O ATOM 404 CB LYS A 28 -5.858 6.998 -5.554 1.00 0.00 C ATOM 405 CG LYS A 28 -7.188 6.329 -5.252 1.00 0.00 C ATOM 406 CD LYS A 28 -7.135 5.547 -3.950 1.00 0.00 C ATOM 407 CE LYS A 28 -8.455 4.844 -3.669 1.00 0.00 C ATOM 408 NZ LYS A 28 -9.465 5.772 -3.090 1.00 0.00 N ATOM 0 H LYS A 28 -3.726 7.716 -6.567 1.00 0.00 H new ATOM 0 HA LYS A 28 -4.440 5.491 -4.973 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -5.560 7.599 -4.695 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -5.987 7.682 -6.393 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -7.971 7.085 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -7.453 5.659 -6.070 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.332 4.811 -3.999 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -6.899 6.222 -3.128 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -8.843 4.416 -4.594 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -8.286 4.016 -2.981 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -10.350 5.255 -2.913 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -9.106 6.161 -2.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -9.645 6.549 -3.757 1.00 0.00 H new ATOM 422 N GLY A 29 -5.585 3.795 -6.392 1.00 0.00 N ATOM 423 CA GLY A 29 -6.074 2.740 -7.260 1.00 0.00 C ATOM 424 C GLY A 29 -4.969 1.809 -7.720 1.00 0.00 C ATOM 425 O GLY A 29 -5.237 0.727 -8.243 1.00 0.00 O ATOM 0 H GLY A 29 -5.539 3.549 -5.403 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -6.835 2.164 -6.733 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -6.557 3.184 -8.131 1.00 0.00 H new ATOM 429 N ASP A 30 -3.724 2.229 -7.526 1.00 0.00 N ATOM 430 CA ASP A 30 -2.575 1.426 -7.925 1.00 0.00 C ATOM 431 C ASP A 30 -2.226 0.403 -6.848 1.00 0.00 C ATOM 432 O ASP A 30 -2.604 0.558 -5.686 1.00 0.00 O ATOM 433 CB ASP A 30 -1.368 2.325 -8.201 1.00 0.00 C ATOM 434 CG ASP A 30 -1.423 2.960 -9.577 1.00 0.00 C ATOM 435 OD1 ASP A 30 -1.874 2.284 -10.525 1.00 0.00 O ATOM 436 OD2 ASP A 30 -1.016 4.133 -9.704 1.00 0.00 O ATOM 0 H ASP A 30 -3.485 3.122 -7.094 1.00 0.00 H new ATOM 0 HA ASP A 30 -2.837 0.891 -8.838 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.321 3.108 -7.444 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -0.454 1.739 -8.111 1.00 0.00 H new ATOM 441 N ILE A 31 -1.506 -0.641 -7.241 1.00 0.00 N ATOM 442 CA ILE A 31 -1.107 -1.689 -6.310 1.00 0.00 C ATOM 443 C ILE A 31 0.343 -2.103 -6.535 1.00 0.00 C ATOM 444 O ILE A 31 0.718 -2.517 -7.632 1.00 0.00 O ATOM 445 CB ILE A 31 -2.009 -2.930 -6.438 1.00 0.00 C ATOM 446 CG1 ILE A 31 -3.378 -2.660 -5.810 1.00 0.00 C ATOM 447 CG2 ILE A 31 -1.349 -4.135 -5.785 1.00 0.00 C ATOM 448 CD1 ILE A 31 -4.451 -3.626 -6.261 1.00 0.00 C ATOM 0 H ILE A 31 -1.186 -0.784 -8.199 1.00 0.00 H new ATOM 0 HA ILE A 31 -1.212 -1.275 -5.307 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.152 -3.148 -7.496 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -3.287 -2.711 -4.725 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -3.688 -1.644 -6.057 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -1.999 -5.004 -5.884 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -0.396 -4.337 -6.274 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -1.178 -3.928 -4.729 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -5.394 -3.375 -5.776 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -4.570 -3.559 -7.342 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -4.163 -4.642 -5.990 1.00 0.00 H new ATOM 460 N VAL A 32 1.155 -1.989 -5.489 1.00 0.00 N ATOM 461 CA VAL A 32 2.564 -2.354 -5.572 1.00 0.00 C ATOM 462 C VAL A 32 2.813 -3.726 -4.957 1.00 0.00 C ATOM 463 O VAL A 32 1.911 -4.332 -4.379 1.00 0.00 O ATOM 464 CB VAL A 32 3.455 -1.316 -4.863 1.00 0.00 C ATOM 465 CG1 VAL A 32 3.102 0.091 -5.318 1.00 0.00 C ATOM 466 CG2 VAL A 32 3.325 -1.446 -3.353 1.00 0.00 C ATOM 0 H VAL A 32 0.861 -1.647 -4.574 1.00 0.00 H new ATOM 0 HA VAL A 32 2.822 -2.381 -6.631 1.00 0.00 H new ATOM 0 HB VAL A 32 4.493 -1.509 -5.133 1.00 0.00 H new ATOM 0 HG11 VAL A 32 3.742 0.810 -4.806 1.00 0.00 H new ATOM 0 HG12 VAL A 32 3.252 0.174 -6.394 1.00 0.00 H new ATOM 0 HG13 VAL A 32 2.059 0.300 -5.080 1.00 0.00 H new ATOM 0 HG21 VAL A 32 3.961 -0.705 -2.868 1.00 0.00 H new ATOM 0 HG22 VAL A 32 2.288 -1.280 -3.062 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.633 -2.446 -3.046 1.00 0.00 H new ATOM 476 N TYR A 33 4.044 -4.211 -5.084 1.00 0.00 N ATOM 477 CA TYR A 33 4.412 -5.513 -4.542 1.00 0.00 C ATOM 478 C TYR A 33 5.512 -5.376 -3.494 1.00 0.00 C ATOM 479 O TYR A 33 6.650 -5.033 -3.815 1.00 0.00 O ATOM 480 CB TYR A 33 4.874 -6.444 -5.664 1.00 0.00 C ATOM 481 CG TYR A 33 4.756 -7.912 -5.321 1.00 0.00 C ATOM 482 CD1 TYR A 33 3.564 -8.598 -5.517 1.00 0.00 C ATOM 483 CD2 TYR A 33 5.838 -8.613 -4.802 1.00 0.00 C ATOM 484 CE1 TYR A 33 3.452 -9.939 -5.205 1.00 0.00 C ATOM 485 CE2 TYR A 33 5.735 -9.954 -4.488 1.00 0.00 C ATOM 486 CZ TYR A 33 4.540 -10.612 -4.690 1.00 0.00 C ATOM 487 OH TYR A 33 4.433 -11.949 -4.379 1.00 0.00 O ATOM 0 H TYR A 33 4.803 -3.721 -5.558 1.00 0.00 H new ATOM 0 HA TYR A 33 3.531 -5.941 -4.064 1.00 0.00 H new ATOM 0 HB2 TYR A 33 4.286 -6.240 -6.559 1.00 0.00 H new ATOM 0 HB3 TYR A 33 5.912 -6.219 -5.907 1.00 0.00 H new ATOM 0 HD1 TYR A 33 2.710 -8.074 -5.920 1.00 0.00 H new ATOM 0 HD2 TYR A 33 6.775 -8.101 -4.642 1.00 0.00 H new ATOM 0 HE1 TYR A 33 2.518 -10.457 -5.363 1.00 0.00 H new ATOM 0 HE2 TYR A 33 6.586 -10.484 -4.086 1.00 0.00 H new ATOM 0 HH TYR A 33 5.289 -12.273 -4.028 1.00 0.00 H new ATOM 497 N ILE A 34 5.164 -5.648 -2.241 1.00 0.00 N ATOM 498 CA ILE A 34 6.121 -5.557 -1.146 1.00 0.00 C ATOM 499 C ILE A 34 7.012 -6.794 -1.090 1.00 0.00 C ATOM 500 O ILE A 34 6.549 -7.892 -0.780 1.00 0.00 O ATOM 501 CB ILE A 34 5.411 -5.389 0.211 1.00 0.00 C ATOM 502 CG1 ILE A 34 4.612 -4.084 0.234 1.00 0.00 C ATOM 503 CG2 ILE A 34 6.423 -5.416 1.346 1.00 0.00 C ATOM 504 CD1 ILE A 34 3.382 -4.144 1.113 1.00 0.00 C ATOM 0 H ILE A 34 4.226 -5.933 -1.959 1.00 0.00 H new ATOM 0 HA ILE A 34 6.735 -4.677 -1.337 1.00 0.00 H new ATOM 0 HB ILE A 34 4.719 -6.220 0.348 1.00 0.00 H new ATOM 0 HG12 ILE A 34 5.258 -3.278 0.582 1.00 0.00 H new ATOM 0 HG13 ILE A 34 4.310 -3.834 -0.783 1.00 0.00 H new ATOM 0 HG21 ILE A 34 5.906 -5.296 2.298 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.953 -6.369 1.338 1.00 0.00 H new ATOM 0 HG23 ILE A 34 7.137 -4.603 1.216 1.00 0.00 H new ATOM 0 HD11 ILE A 34 2.865 -3.185 1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 34 2.715 -4.928 0.753 1.00 0.00 H new ATOM 0 HD13 ILE A 34 3.678 -4.363 2.139 1.00 0.00 H new ATOM 516 N HIS A 35 8.293 -6.607 -1.390 1.00 0.00 N ATOM 517 CA HIS A 35 9.251 -7.707 -1.372 1.00 0.00 C ATOM 518 C HIS A 35 9.931 -7.813 -0.010 1.00 0.00 C ATOM 519 O HIS A 35 9.796 -8.819 0.687 1.00 0.00 O ATOM 520 CB HIS A 35 10.301 -7.515 -2.466 1.00 0.00 C ATOM 521 CG HIS A 35 10.894 -8.799 -2.959 1.00 0.00 C ATOM 522 ND1 HIS A 35 10.138 -9.824 -3.488 1.00 0.00 N ATOM 523 CD2 HIS A 35 12.180 -9.221 -3.001 1.00 0.00 C ATOM 524 CE1 HIS A 35 10.933 -10.821 -3.833 1.00 0.00 C ATOM 525 NE2 HIS A 35 12.177 -10.481 -3.549 1.00 0.00 N ATOM 0 H HIS A 35 8.692 -5.705 -1.648 1.00 0.00 H new ATOM 0 HA HIS A 35 8.707 -8.633 -1.560 1.00 0.00 H new ATOM 0 HB2 HIS A 35 9.847 -6.988 -3.305 1.00 0.00 H new ATOM 0 HB3 HIS A 35 11.099 -6.879 -2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 35 13.046 -8.670 -2.666 1.00 0.00 H new ATOM 0 HE1 HIS A 35 10.619 -11.756 -4.273 1.00 0.00 H new ATOM 0 HE2 HIS A 35 13.001 -11.060 -3.710 1.00 0.00 H new ATOM 533 N LYS A 36 10.663 -6.769 0.362 1.00 0.00 N ATOM 534 CA LYS A 36 11.365 -6.743 1.640 1.00 0.00 C ATOM 535 C LYS A 36 10.856 -5.603 2.517 1.00 0.00 C ATOM 536 O LYS A 36 10.005 -4.819 2.099 1.00 0.00 O ATOM 537 CB LYS A 36 12.871 -6.594 1.415 1.00 0.00 C ATOM 538 CG LYS A 36 13.315 -5.157 1.202 1.00 0.00 C ATOM 539 CD LYS A 36 14.530 -5.078 0.293 1.00 0.00 C ATOM 540 CE LYS A 36 14.126 -4.911 -1.164 1.00 0.00 C ATOM 541 NZ LYS A 36 13.339 -6.074 -1.659 1.00 0.00 N ATOM 0 H LYS A 36 10.786 -5.929 -0.204 1.00 0.00 H new ATOM 0 HA LYS A 36 11.172 -7.686 2.152 1.00 0.00 H new ATOM 0 HB2 LYS A 36 13.401 -7.006 2.274 1.00 0.00 H new ATOM 0 HB3 LYS A 36 13.161 -7.187 0.548 1.00 0.00 H new ATOM 0 HG2 LYS A 36 12.497 -4.583 0.768 1.00 0.00 H new ATOM 0 HG3 LYS A 36 13.549 -4.701 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 36 15.158 -4.240 0.596 1.00 0.00 H new ATOM 0 HD3 LYS A 36 15.129 -5.982 0.404 1.00 0.00 H new ATOM 0 HE2 LYS A 36 13.537 -4.000 -1.275 1.00 0.00 H new ATOM 0 HE3 LYS A 36 15.019 -4.790 -1.777 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 13.098 -5.929 -2.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 13.903 -6.942 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 12.465 -6.164 -1.102 1.00 0.00 H new ATOM 555 N GLU A 37 11.385 -5.517 3.734 1.00 0.00 N ATOM 556 CA GLU A 37 10.983 -4.472 4.668 1.00 0.00 C ATOM 557 C GLU A 37 12.116 -3.473 4.887 1.00 0.00 C ATOM 558 O GLU A 37 13.161 -3.815 5.441 1.00 0.00 O ATOM 559 CB GLU A 37 10.565 -5.086 6.006 1.00 0.00 C ATOM 560 CG GLU A 37 10.087 -4.063 7.023 1.00 0.00 C ATOM 561 CD GLU A 37 9.859 -4.666 8.395 1.00 0.00 C ATOM 562 OE1 GLU A 37 9.542 -5.872 8.468 1.00 0.00 O ATOM 563 OE2 GLU A 37 9.998 -3.933 9.396 1.00 0.00 O ATOM 0 H GLU A 37 12.092 -6.158 4.095 1.00 0.00 H new ATOM 0 HA GLU A 37 10.133 -3.943 4.237 1.00 0.00 H new ATOM 0 HB2 GLU A 37 9.770 -5.811 5.831 1.00 0.00 H new ATOM 0 HB3 GLU A 37 11.409 -5.634 6.424 1.00 0.00 H new ATOM 0 HG2 GLU A 37 10.822 -3.262 7.100 1.00 0.00 H new ATOM 0 HG3 GLU A 37 9.160 -3.612 6.670 1.00 0.00 H new ATOM 570 N VAL A 38 11.901 -2.237 4.448 1.00 0.00 N ATOM 571 CA VAL A 38 12.903 -1.188 4.595 1.00 0.00 C ATOM 572 C VAL A 38 12.900 -0.621 6.010 1.00 0.00 C ATOM 573 O VAL A 38 13.925 -0.623 6.693 1.00 0.00 O ATOM 574 CB VAL A 38 12.666 -0.042 3.594 1.00 0.00 C ATOM 575 CG1 VAL A 38 13.676 1.075 3.812 1.00 0.00 C ATOM 576 CG2 VAL A 38 12.733 -0.561 2.165 1.00 0.00 C ATOM 0 H VAL A 38 11.042 -1.937 3.987 1.00 0.00 H new ATOM 0 HA VAL A 38 13.872 -1.644 4.391 1.00 0.00 H new ATOM 0 HB VAL A 38 11.669 0.364 3.763 1.00 0.00 H new ATOM 0 HG11 VAL A 38 13.493 1.876 3.096 1.00 0.00 H new ATOM 0 HG12 VAL A 38 13.575 1.464 4.825 1.00 0.00 H new ATOM 0 HG13 VAL A 38 14.685 0.686 3.672 1.00 0.00 H new ATOM 0 HG21 VAL A 38 12.563 0.262 1.471 1.00 0.00 H new ATOM 0 HG22 VAL A 38 13.716 -0.994 1.981 1.00 0.00 H new ATOM 0 HG23 VAL A 38 11.968 -1.323 2.018 1.00 0.00 H new ATOM 586 N ASP A 39 11.742 -0.137 6.445 1.00 0.00 N ATOM 587 CA ASP A 39 11.605 0.433 7.781 1.00 0.00 C ATOM 588 C ASP A 39 10.252 0.074 8.388 1.00 0.00 C ATOM 589 O ASP A 39 9.424 -0.575 7.748 1.00 0.00 O ATOM 590 CB ASP A 39 11.768 1.953 7.729 1.00 0.00 C ATOM 591 CG ASP A 39 12.352 2.516 9.010 1.00 0.00 C ATOM 592 OD1 ASP A 39 13.378 1.981 9.479 1.00 0.00 O ATOM 593 OD2 ASP A 39 11.783 3.491 9.544 1.00 0.00 O ATOM 0 H ASP A 39 10.885 -0.128 5.893 1.00 0.00 H new ATOM 0 HA ASP A 39 12.389 0.013 8.411 1.00 0.00 H new ATOM 0 HB2 ASP A 39 12.413 2.218 6.892 1.00 0.00 H new ATOM 0 HB3 ASP A 39 10.798 2.414 7.542 1.00 0.00 H new ATOM 598 N LYS A 40 10.034 0.501 9.627 1.00 0.00 N ATOM 599 CA LYS A 40 8.782 0.226 10.322 1.00 0.00 C ATOM 600 C LYS A 40 7.600 0.837 9.576 1.00 0.00 C ATOM 601 O LYS A 40 6.518 0.253 9.524 1.00 0.00 O ATOM 602 CB LYS A 40 8.836 0.776 11.749 1.00 0.00 C ATOM 603 CG LYS A 40 7.877 0.084 12.704 1.00 0.00 C ATOM 604 CD LYS A 40 8.324 0.234 14.148 1.00 0.00 C ATOM 605 CE LYS A 40 8.118 1.654 14.652 1.00 0.00 C ATOM 606 NZ LYS A 40 9.183 2.575 14.165 1.00 0.00 N ATOM 0 H LYS A 40 10.709 1.039 10.171 1.00 0.00 H new ATOM 0 HA LYS A 40 8.646 -0.855 10.360 1.00 0.00 H new ATOM 0 HB2 LYS A 40 9.852 0.674 12.130 1.00 0.00 H new ATOM 0 HB3 LYS A 40 8.609 1.842 11.728 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.878 0.504 12.586 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.810 -0.974 12.451 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.766 -0.460 14.776 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.377 -0.034 14.233 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.145 2.018 14.324 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.108 1.655 15.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.500 3.183 14.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 9.987 2.019 13.810 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 8.806 3.167 13.398 1.00 0.00 H new ATOM 620 N ASN A 41 7.815 2.014 8.997 1.00 0.00 N ATOM 621 CA ASN A 41 6.767 2.703 8.253 1.00 0.00 C ATOM 622 C ASN A 41 7.139 2.827 6.778 1.00 0.00 C ATOM 623 O ASN A 41 6.529 3.596 6.037 1.00 0.00 O ATOM 624 CB ASN A 41 6.519 4.091 8.846 1.00 0.00 C ATOM 625 CG ASN A 41 5.538 4.058 10.003 1.00 0.00 C ATOM 626 OD1 ASN A 41 4.400 4.511 9.880 1.00 0.00 O ATOM 627 ND2 ASN A 41 5.977 3.521 11.135 1.00 0.00 N ATOM 0 H ASN A 41 8.705 2.510 9.029 1.00 0.00 H new ATOM 0 HA ASN A 41 5.853 2.114 8.331 1.00 0.00 H new ATOM 0 HB2 ASN A 41 7.465 4.512 9.187 1.00 0.00 H new ATOM 0 HB3 ASN A 41 6.138 4.753 8.068 1.00 0.00 H new ATOM 0 HD21 ASN A 41 5.363 3.472 11.948 1.00 0.00 H new ATOM 0 HD22 ASN A 41 6.928 3.158 11.192 1.00 0.00 H new ATOM 634 N TRP A 42 8.143 2.064 6.362 1.00 0.00 N ATOM 635 CA TRP A 42 8.597 2.089 4.975 1.00 0.00 C ATOM 636 C TRP A 42 8.700 0.676 4.412 1.00 0.00 C ATOM 637 O TRP A 42 8.975 -0.277 5.143 1.00 0.00 O ATOM 638 CB TRP A 42 9.951 2.792 4.872 1.00 0.00 C ATOM 639 CG TRP A 42 9.881 4.260 5.167 1.00 0.00 C ATOM 640 CD1 TRP A 42 10.230 4.879 6.333 1.00 0.00 C ATOM 641 CD2 TRP A 42 9.433 5.292 4.282 1.00 0.00 C ATOM 642 NE1 TRP A 42 10.026 6.234 6.226 1.00 0.00 N ATOM 643 CE2 TRP A 42 9.538 6.513 4.977 1.00 0.00 C ATOM 644 CE3 TRP A 42 8.955 5.304 2.968 1.00 0.00 C ATOM 645 CZ2 TRP A 42 9.182 7.729 4.401 1.00 0.00 C ATOM 646 CZ3 TRP A 42 8.601 6.512 2.399 1.00 0.00 C ATOM 647 CH2 TRP A 42 8.716 7.712 3.115 1.00 0.00 C ATOM 0 H TRP A 42 8.658 1.421 6.963 1.00 0.00 H new ATOM 0 HA TRP A 42 7.864 2.642 4.388 1.00 0.00 H new ATOM 0 HB2 TRP A 42 10.650 2.322 5.564 1.00 0.00 H new ATOM 0 HB3 TRP A 42 10.351 2.649 3.868 1.00 0.00 H new ATOM 0 HD1 TRP A 42 10.611 4.377 7.211 1.00 0.00 H new ATOM 0 HE1 TRP A 42 10.208 6.920 6.958 1.00 0.00 H new ATOM 0 HE3 TRP A 42 8.864 4.385 2.408 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 9.271 8.654 4.951 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 8.229 6.532 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 42 8.431 8.640 2.642 1.00 0.00 H new ATOM 658 N LEU A 43 8.479 0.546 3.108 1.00 0.00 N ATOM 659 CA LEU A 43 8.548 -0.752 2.446 1.00 0.00 C ATOM 660 C LEU A 43 9.018 -0.603 1.003 1.00 0.00 C ATOM 661 O LEU A 43 8.658 0.354 0.319 1.00 0.00 O ATOM 662 CB LEU A 43 7.181 -1.438 2.481 1.00 0.00 C ATOM 663 CG LEU A 43 6.521 -1.551 3.856 1.00 0.00 C ATOM 664 CD1 LEU A 43 5.058 -1.940 3.716 1.00 0.00 C ATOM 665 CD2 LEU A 43 7.263 -2.559 4.721 1.00 0.00 C ATOM 0 H LEU A 43 8.251 1.324 2.489 1.00 0.00 H new ATOM 0 HA LEU A 43 9.270 -1.368 2.982 1.00 0.00 H new ATOM 0 HB2 LEU A 43 6.507 -0.893 1.820 1.00 0.00 H new ATOM 0 HB3 LEU A 43 7.290 -2.441 2.069 1.00 0.00 H new ATOM 0 HG LEU A 43 6.571 -0.577 4.343 1.00 0.00 H new ATOM 0 HD11 LEU A 43 4.605 -2.016 4.705 1.00 0.00 H new ATOM 0 HD12 LEU A 43 4.534 -1.182 3.134 1.00 0.00 H new ATOM 0 HD13 LEU A 43 4.984 -2.902 3.209 1.00 0.00 H new ATOM 0 HD21 LEU A 43 6.780 -2.627 5.696 1.00 0.00 H new ATOM 0 HD22 LEU A 43 7.245 -3.536 4.238 1.00 0.00 H new ATOM 0 HD23 LEU A 43 8.296 -2.237 4.850 1.00 0.00 H new ATOM 677 N GLU A 44 9.823 -1.558 0.547 1.00 0.00 N ATOM 678 CA GLU A 44 10.341 -1.533 -0.816 1.00 0.00 C ATOM 679 C GLU A 44 9.465 -2.367 -1.747 1.00 0.00 C ATOM 680 O GLU A 44 8.818 -3.321 -1.318 1.00 0.00 O ATOM 681 CB GLU A 44 11.779 -2.054 -0.848 1.00 0.00 C ATOM 682 CG GLU A 44 12.618 -1.455 -1.965 1.00 0.00 C ATOM 683 CD GLU A 44 14.089 -1.366 -1.606 1.00 0.00 C ATOM 684 OE1 GLU A 44 14.516 -2.082 -0.676 1.00 0.00 O ATOM 685 OE2 GLU A 44 14.812 -0.581 -2.254 1.00 0.00 O ATOM 0 H GLU A 44 10.130 -2.358 1.101 1.00 0.00 H new ATOM 0 HA GLU A 44 10.329 -0.500 -1.163 1.00 0.00 H new ATOM 0 HB2 GLU A 44 12.256 -1.839 0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 44 11.762 -3.138 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 44 12.503 -2.060 -2.865 1.00 0.00 H new ATOM 0 HG3 GLU A 44 12.244 -0.459 -2.201 1.00 0.00 H new ATOM 692 N GLY A 45 9.450 -1.998 -3.024 1.00 0.00 N ATOM 693 CA GLY A 45 8.651 -2.721 -3.996 1.00 0.00 C ATOM 694 C GLY A 45 8.918 -2.270 -5.418 1.00 0.00 C ATOM 695 O GLY A 45 9.345 -1.138 -5.646 1.00 0.00 O ATOM 0 H GLY A 45 9.977 -1.211 -3.403 1.00 0.00 H new ATOM 0 HA2 GLY A 45 8.859 -3.788 -3.911 1.00 0.00 H new ATOM 0 HA3 GLY A 45 7.594 -2.584 -3.767 1.00 0.00 H new ATOM 699 N GLU A 46 8.668 -3.157 -6.376 1.00 0.00 N ATOM 700 CA GLU A 46 8.888 -2.844 -7.783 1.00 0.00 C ATOM 701 C GLU A 46 7.602 -3.017 -8.586 1.00 0.00 C ATOM 702 O GLU A 46 6.899 -4.019 -8.445 1.00 0.00 O ATOM 703 CB GLU A 46 9.987 -3.736 -8.361 1.00 0.00 C ATOM 704 CG GLU A 46 10.144 -3.610 -9.868 1.00 0.00 C ATOM 705 CD GLU A 46 8.998 -4.248 -10.628 1.00 0.00 C ATOM 706 OE1 GLU A 46 8.483 -5.286 -10.162 1.00 0.00 O ATOM 707 OE2 GLU A 46 8.617 -3.711 -11.689 1.00 0.00 O ATOM 0 H GLU A 46 8.313 -4.098 -6.203 1.00 0.00 H new ATOM 0 HA GLU A 46 9.202 -1.803 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 46 10.934 -3.486 -7.883 1.00 0.00 H new ATOM 0 HB3 GLU A 46 9.769 -4.775 -8.113 1.00 0.00 H new ATOM 0 HG2 GLU A 46 10.211 -2.556 -10.136 1.00 0.00 H new ATOM 0 HG3 GLU A 46 11.081 -4.076 -10.172 1.00 0.00 H new ATOM 798 N GLY A 52 10.879 2.021 -6.726 1.00 0.00 N ATOM 799 CA GLY A 52 11.427 2.814 -5.641 1.00 0.00 C ATOM 800 C GLY A 52 10.869 2.412 -4.290 1.00 0.00 C ATOM 801 O GLY A 52 10.275 1.342 -4.150 1.00 0.00 O ATOM 0 HA2 GLY A 52 12.512 2.707 -5.629 1.00 0.00 H new ATOM 0 HA3 GLY A 52 11.212 3.867 -5.821 1.00 0.00 H new ATOM 805 N ILE A 53 11.061 3.269 -3.293 1.00 0.00 N ATOM 806 CA ILE A 53 10.573 2.996 -1.947 1.00 0.00 C ATOM 807 C ILE A 53 9.244 3.698 -1.692 1.00 0.00 C ATOM 808 O ILE A 53 8.960 4.744 -2.275 1.00 0.00 O ATOM 809 CB ILE A 53 11.590 3.441 -0.879 1.00 0.00 C ATOM 810 CG1 ILE A 53 11.847 4.946 -0.984 1.00 0.00 C ATOM 811 CG2 ILE A 53 12.889 2.664 -1.028 1.00 0.00 C ATOM 812 CD1 ILE A 53 12.566 5.521 0.216 1.00 0.00 C ATOM 0 H ILE A 53 11.551 4.158 -3.392 1.00 0.00 H new ATOM 0 HA ILE A 53 10.431 1.918 -1.875 1.00 0.00 H new ATOM 0 HB ILE A 53 11.175 3.230 0.107 1.00 0.00 H new ATOM 0 HG12 ILE A 53 12.436 5.144 -1.880 1.00 0.00 H new ATOM 0 HG13 ILE A 53 10.895 5.461 -1.108 1.00 0.00 H new ATOM 0 HG21 ILE A 53 13.597 2.990 -0.266 1.00 0.00 H new ATOM 0 HG22 ILE A 53 12.692 1.599 -0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 53 13.310 2.846 -2.017 1.00 0.00 H new ATOM 0 HD11 ILE A 53 12.714 6.591 0.073 1.00 0.00 H new ATOM 0 HD12 ILE A 53 11.969 5.354 1.112 1.00 0.00 H new ATOM 0 HD13 ILE A 53 13.534 5.032 0.329 1.00 0.00 H new ATOM 824 N PHE A 54 8.433 3.117 -0.814 1.00 0.00 N ATOM 825 CA PHE A 54 7.133 3.687 -0.480 1.00 0.00 C ATOM 826 C PHE A 54 6.757 3.373 0.965 1.00 0.00 C ATOM 827 O PHE A 54 7.189 2.375 1.543 1.00 0.00 O ATOM 828 CB PHE A 54 6.058 3.149 -1.427 1.00 0.00 C ATOM 829 CG PHE A 54 5.875 1.661 -1.342 1.00 0.00 C ATOM 830 CD1 PHE A 54 6.818 0.801 -1.882 1.00 0.00 C ATOM 831 CD2 PHE A 54 4.759 1.121 -0.722 1.00 0.00 C ATOM 832 CE1 PHE A 54 6.651 -0.569 -1.806 1.00 0.00 C ATOM 833 CE2 PHE A 54 4.587 -0.248 -0.642 1.00 0.00 C ATOM 834 CZ PHE A 54 5.535 -1.094 -1.184 1.00 0.00 C ATOM 0 H PHE A 54 8.653 2.252 -0.321 1.00 0.00 H new ATOM 0 HA PHE A 54 7.199 4.769 -0.593 1.00 0.00 H new ATOM 0 HB2 PHE A 54 5.110 3.637 -1.202 1.00 0.00 H new ATOM 0 HB3 PHE A 54 6.320 3.417 -2.451 1.00 0.00 H new ATOM 0 HD1 PHE A 54 7.693 1.206 -2.368 1.00 0.00 H new ATOM 0 HD2 PHE A 54 4.015 1.778 -0.296 1.00 0.00 H new ATOM 0 HE1 PHE A 54 7.392 -1.228 -2.233 1.00 0.00 H new ATOM 0 HE2 PHE A 54 3.713 -0.656 -0.156 1.00 0.00 H new ATOM 0 HZ PHE A 54 5.404 -2.164 -1.122 1.00 0.00 H new ATOM 844 N PRO A 55 5.933 4.245 1.564 1.00 0.00 N ATOM 845 CA PRO A 55 5.480 4.083 2.949 1.00 0.00 C ATOM 846 C PRO A 55 4.517 2.912 3.111 1.00 0.00 C ATOM 847 O PRO A 55 3.923 2.446 2.139 1.00 0.00 O ATOM 848 CB PRO A 55 4.768 5.405 3.246 1.00 0.00 C ATOM 849 CG PRO A 55 4.330 5.907 1.914 1.00 0.00 C ATOM 850 CD PRO A 55 5.379 5.456 0.936 1.00 0.00 C ATOM 0 HA PRO A 55 6.307 3.867 3.625 1.00 0.00 H new ATOM 0 HB2 PRO A 55 3.918 5.256 3.912 1.00 0.00 H new ATOM 0 HB3 PRO A 55 5.436 6.113 3.736 1.00 0.00 H new ATOM 0 HG2 PRO A 55 3.351 5.507 1.649 1.00 0.00 H new ATOM 0 HG3 PRO A 55 4.240 6.993 1.917 1.00 0.00 H new ATOM 0 HD2 PRO A 55 4.950 5.241 -0.043 1.00 0.00 H new ATOM 0 HD3 PRO A 55 6.144 6.218 0.788 1.00 0.00 H new ATOM 858 N ALA A 56 4.367 2.441 4.345 1.00 0.00 N ATOM 859 CA ALA A 56 3.475 1.326 4.634 1.00 0.00 C ATOM 860 C ALA A 56 2.072 1.819 4.973 1.00 0.00 C ATOM 861 O ALA A 56 1.090 1.388 4.370 1.00 0.00 O ATOM 862 CB ALA A 56 4.031 0.487 5.775 1.00 0.00 C ATOM 0 H ALA A 56 4.852 2.815 5.160 1.00 0.00 H new ATOM 0 HA ALA A 56 3.408 0.706 3.740 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.354 -0.342 5.980 1.00 0.00 H new ATOM 0 HB2 ALA A 56 5.010 0.096 5.496 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.128 1.105 6.667 1.00 0.00 H new ATOM 868 N ASN A 57 1.986 2.725 5.941 1.00 0.00 N ATOM 869 CA ASN A 57 0.703 3.276 6.361 1.00 0.00 C ATOM 870 C ASN A 57 -0.166 3.614 5.153 1.00 0.00 C ATOM 871 O ASN A 57 -1.368 3.348 5.145 1.00 0.00 O ATOM 872 CB ASN A 57 0.916 4.527 7.216 1.00 0.00 C ATOM 873 CG ASN A 57 1.459 5.691 6.411 1.00 0.00 C ATOM 874 OD1 ASN A 57 0.705 6.554 5.961 1.00 0.00 O ATOM 875 ND2 ASN A 57 2.774 5.721 6.226 1.00 0.00 N ATOM 0 H ASN A 57 2.790 3.093 6.450 1.00 0.00 H new ATOM 0 HA ASN A 57 0.189 2.521 6.956 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -0.030 4.816 7.675 1.00 0.00 H new ATOM 0 HB3 ASN A 57 1.606 4.296 8.027 1.00 0.00 H new ATOM 0 HD21 ASN A 57 3.197 6.481 5.693 1.00 0.00 H new ATOM 0 HD22 ASN A 57 3.361 4.984 6.617 1.00 0.00 H new ATOM 882 N TYR A 58 0.452 4.201 4.134 1.00 0.00 N ATOM 883 CA TYR A 58 -0.264 4.577 2.921 1.00 0.00 C ATOM 884 C TYR A 58 -1.104 3.414 2.401 1.00 0.00 C ATOM 885 O TYR A 58 -2.215 3.606 1.907 1.00 0.00 O ATOM 886 CB TYR A 58 0.720 5.032 1.842 1.00 0.00 C ATOM 887 CG TYR A 58 1.012 6.515 1.875 1.00 0.00 C ATOM 888 CD1 TYR A 58 1.827 7.060 2.859 1.00 0.00 C ATOM 889 CD2 TYR A 58 0.472 7.371 0.924 1.00 0.00 C ATOM 890 CE1 TYR A 58 2.096 8.415 2.894 1.00 0.00 C ATOM 891 CE2 TYR A 58 0.737 8.726 0.950 1.00 0.00 C ATOM 892 CZ TYR A 58 1.549 9.244 1.937 1.00 0.00 C ATOM 893 OH TYR A 58 1.814 10.594 1.968 1.00 0.00 O ATOM 0 H TYR A 58 1.447 4.427 4.124 1.00 0.00 H new ATOM 0 HA TYR A 58 -0.932 5.403 3.166 1.00 0.00 H new ATOM 0 HB2 TYR A 58 1.655 4.484 1.960 1.00 0.00 H new ATOM 0 HB3 TYR A 58 0.319 4.771 0.863 1.00 0.00 H new ATOM 0 HD1 TYR A 58 2.258 6.414 3.609 1.00 0.00 H new ATOM 0 HD2 TYR A 58 -0.166 6.970 0.151 1.00 0.00 H new ATOM 0 HE1 TYR A 58 2.731 8.823 3.667 1.00 0.00 H new ATOM 0 HE2 TYR A 58 0.310 9.377 0.201 1.00 0.00 H new ATOM 0 HH TYR A 58 1.353 11.035 1.224 1.00 0.00 H new ATOM 903 N VAL A 59 -0.564 2.204 2.516 1.00 0.00 N ATOM 904 CA VAL A 59 -1.262 1.009 2.060 1.00 0.00 C ATOM 905 C VAL A 59 -1.518 0.048 3.216 1.00 0.00 C ATOM 906 O VAL A 59 -0.616 -0.255 3.996 1.00 0.00 O ATOM 907 CB VAL A 59 -0.464 0.276 0.965 1.00 0.00 C ATOM 908 CG1 VAL A 59 -0.063 1.242 -0.140 1.00 0.00 C ATOM 909 CG2 VAL A 59 0.760 -0.402 1.562 1.00 0.00 C ATOM 0 H VAL A 59 0.355 2.027 2.921 1.00 0.00 H new ATOM 0 HA VAL A 59 -2.215 1.338 1.646 1.00 0.00 H new ATOM 0 HB VAL A 59 -1.101 -0.494 0.529 1.00 0.00 H new ATOM 0 HG11 VAL A 59 0.500 0.707 -0.905 1.00 0.00 H new ATOM 0 HG12 VAL A 59 -0.958 1.677 -0.586 1.00 0.00 H new ATOM 0 HG13 VAL A 59 0.557 2.036 0.278 1.00 0.00 H new ATOM 0 HG21 VAL A 59 1.312 -0.915 0.775 1.00 0.00 H new ATOM 0 HG22 VAL A 59 1.401 0.348 2.026 1.00 0.00 H new ATOM 0 HG23 VAL A 59 0.445 -1.125 2.314 1.00 0.00 H new ATOM 919 N GLU A 60 -2.755 -0.429 3.319 1.00 0.00 N ATOM 920 CA GLU A 60 -3.130 -1.356 4.380 1.00 0.00 C ATOM 921 C GLU A 60 -3.220 -2.784 3.849 1.00 0.00 C ATOM 922 O GLU A 60 -3.825 -3.033 2.806 1.00 0.00 O ATOM 923 CB GLU A 60 -4.468 -0.945 4.998 1.00 0.00 C ATOM 924 CG GLU A 60 -4.332 0.052 6.137 1.00 0.00 C ATOM 925 CD GLU A 60 -4.311 1.489 5.655 1.00 0.00 C ATOM 926 OE1 GLU A 60 -3.836 1.730 4.526 1.00 0.00 O ATOM 927 OE2 GLU A 60 -4.772 2.374 6.407 1.00 0.00 O ATOM 0 H GLU A 60 -3.514 -0.189 2.681 1.00 0.00 H new ATOM 0 HA GLU A 60 -2.357 -1.320 5.148 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -5.100 -0.513 4.222 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -4.978 -1.836 5.365 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -5.160 -0.082 6.833 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -3.415 -0.156 6.689 1.00 0.00 H new ATOM 934 N VAL A 61 -2.612 -3.718 4.574 1.00 0.00 N ATOM 935 CA VAL A 61 -2.623 -5.121 4.177 1.00 0.00 C ATOM 936 C VAL A 61 -4.048 -5.654 4.082 1.00 0.00 C ATOM 937 O VAL A 61 -4.775 -5.693 5.076 1.00 0.00 O ATOM 938 CB VAL A 61 -1.826 -5.991 5.167 1.00 0.00 C ATOM 939 CG1 VAL A 61 -1.934 -7.461 4.794 1.00 0.00 C ATOM 940 CG2 VAL A 61 -0.371 -5.549 5.212 1.00 0.00 C ATOM 0 H VAL A 61 -2.106 -3.528 5.439 1.00 0.00 H new ATOM 0 HA VAL A 61 -2.151 -5.176 3.196 1.00 0.00 H new ATOM 0 HB VAL A 61 -2.252 -5.862 6.162 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.364 -8.060 5.505 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -2.980 -7.767 4.818 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -1.535 -7.612 3.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 0.178 -6.174 5.916 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.070 -5.647 4.220 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -0.317 -4.508 5.532 1.00 0.00 H new