USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 404 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 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.226 X(o=-0.23,f=-0.22) USER MOD Single : A 21 ASN : amide:sc= -1.86 K(o=-1.9,f=-0.1) USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot -64:sc= 0.794 USER MOD Single : A 49 ASN : amide:sc= -0.0799 K(o=-0.08,f=-2.1!) USER MOD Single : A 51 GLN : amide:sc= -0.291 K(o=-0.29,f=-1.6) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 1.163 8.596 -0.699 1.00 0.00 N ATOM 94 CA GLU A 10 0.828 7.648 -1.755 1.00 0.00 C ATOM 95 C GLU A 10 1.470 6.289 -1.489 1.00 0.00 C ATOM 96 O GLU A 10 2.506 6.198 -0.830 1.00 0.00 O ATOM 97 CB GLU A 10 1.285 8.182 -3.114 1.00 0.00 C ATOM 98 CG GLU A 10 2.794 8.196 -3.287 1.00 0.00 C ATOM 99 CD GLU A 10 3.435 9.450 -2.725 1.00 0.00 C ATOM 100 OE1 GLU A 10 2.972 10.558 -3.068 1.00 0.00 O ATOM 101 OE2 GLU A 10 4.399 9.323 -1.942 1.00 0.00 O ATOM 0 HA GLU A 10 -0.255 7.524 -1.767 1.00 0.00 H new ATOM 0 HB2 GLU A 10 0.843 7.572 -3.902 1.00 0.00 H new ATOM 0 HB3 GLU A 10 0.904 9.195 -3.244 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.220 7.322 -2.794 1.00 0.00 H new ATOM 0 HG3 GLU A 10 3.035 8.113 -4.347 1.00 0.00 H new ATOM 108 N TYR A 11 0.846 5.236 -2.006 1.00 0.00 N ATOM 109 CA TYR A 11 1.353 3.881 -1.822 1.00 0.00 C ATOM 110 C TYR A 11 1.372 3.123 -3.146 1.00 0.00 C ATOM 111 O TYR A 11 0.645 3.463 -4.079 1.00 0.00 O ATOM 112 CB TYR A 11 0.498 3.128 -0.802 1.00 0.00 C ATOM 113 CG TYR A 11 0.815 3.483 0.633 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.599 4.768 1.116 1.00 0.00 C ATOM 115 CD2 TYR A 11 1.328 2.532 1.507 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.887 5.096 2.426 1.00 0.00 C ATOM 117 CE2 TYR A 11 1.618 2.852 2.820 1.00 0.00 C ATOM 118 CZ TYR A 11 1.397 4.135 3.274 1.00 0.00 C ATOM 119 OH TYR A 11 1.684 4.458 4.581 1.00 0.00 O ATOM 0 H TYR A 11 -0.011 5.295 -2.556 1.00 0.00 H new ATOM 0 HA TYR A 11 2.375 3.950 -1.449 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.554 3.339 -0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.640 2.056 -0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.199 5.523 0.455 1.00 0.00 H new ATOM 0 HD2 TYR A 11 1.503 1.526 1.154 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.714 6.100 2.785 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.016 2.101 3.487 1.00 0.00 H new ATOM 0 HH TYR A 11 2.034 3.668 5.044 1.00 0.00 H new ATOM 129 N ARG A 12 2.209 2.093 -3.218 1.00 0.00 N ATOM 130 CA ARG A 12 2.325 1.286 -4.426 1.00 0.00 C ATOM 131 C ARG A 12 1.900 -0.155 -4.160 1.00 0.00 C ATOM 132 O ARG A 12 2.150 -0.698 -3.084 1.00 0.00 O ATOM 133 CB ARG A 12 3.762 1.316 -4.950 1.00 0.00 C ATOM 134 CG ARG A 12 3.909 0.758 -6.356 1.00 0.00 C ATOM 135 CD ARG A 12 5.367 0.503 -6.705 1.00 0.00 C ATOM 136 NE ARG A 12 6.162 1.728 -6.661 1.00 0.00 N ATOM 137 CZ ARG A 12 7.382 1.831 -7.177 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.944 0.788 -7.773 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.043 2.979 -7.098 1.00 0.00 N ATOM 0 H ARG A 12 2.817 1.798 -2.454 1.00 0.00 H new ATOM 0 HA ARG A 12 1.662 1.710 -5.180 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.123 2.344 -4.937 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.399 0.746 -4.273 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.346 -0.171 -6.440 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.479 1.458 -7.073 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.784 -0.225 -6.010 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.430 0.065 -7.701 1.00 0.00 H new ATOM 0 HE ARG A 12 5.758 2.549 -6.210 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.439 -0.096 -7.836 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.881 0.870 -8.168 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.615 3.784 -6.641 1.00 0.00 H new ATOM 0 HH22 ARG A 12 8.980 3.057 -7.495 1.00 0.00 H new ATOM 153 N ALA A 13 1.256 -0.769 -5.147 1.00 0.00 N ATOM 154 CA ALA A 13 0.798 -2.147 -5.020 1.00 0.00 C ATOM 155 C ALA A 13 1.973 -3.120 -5.036 1.00 0.00 C ATOM 156 O ALA A 13 3.036 -2.816 -5.577 1.00 0.00 O ATOM 157 CB ALA A 13 -0.182 -2.482 -6.135 1.00 0.00 C ATOM 0 H ALA A 13 1.040 -0.334 -6.044 1.00 0.00 H new ATOM 0 HA ALA A 13 0.289 -2.248 -4.061 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.516 -3.514 -6.028 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.042 -1.814 -6.077 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.309 -2.358 -7.100 1.00 0.00 H new ATOM 163 N LEU A 14 1.774 -4.289 -4.437 1.00 0.00 N ATOM 164 CA LEU A 14 2.817 -5.307 -4.382 1.00 0.00 C ATOM 165 C LEU A 14 2.441 -6.520 -5.227 1.00 0.00 C ATOM 166 O LEU A 14 3.297 -7.136 -5.862 1.00 0.00 O ATOM 167 CB LEU A 14 3.062 -5.737 -2.934 1.00 0.00 C ATOM 168 CG LEU A 14 3.646 -4.670 -2.007 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.440 -5.057 -0.551 1.00 0.00 C ATOM 170 CD2 LEU A 14 5.125 -4.461 -2.301 1.00 0.00 C ATOM 0 H LEU A 14 0.900 -4.555 -3.983 1.00 0.00 H new ATOM 0 HA LEU A 14 3.732 -4.875 -4.787 1.00 0.00 H new ATOM 0 HB2 LEU A 14 2.117 -6.078 -2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.736 -6.594 -2.939 1.00 0.00 H new ATOM 0 HG LEU A 14 3.123 -3.731 -2.189 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.862 -4.286 0.094 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.374 -5.156 -0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.937 -6.007 -0.353 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.525 -3.699 -1.632 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.662 -5.397 -2.147 1.00 0.00 H new ATOM 0 HD23 LEU A 14 5.248 -4.138 -3.335 1.00 0.00 H new ATOM 182 N TYR A 15 1.156 -6.855 -5.232 1.00 0.00 N ATOM 183 CA TYR A 15 0.666 -7.994 -6.000 1.00 0.00 C ATOM 184 C TYR A 15 -0.754 -7.744 -6.499 1.00 0.00 C ATOM 185 O TYR A 15 -1.535 -7.041 -5.857 1.00 0.00 O ATOM 186 CB TYR A 15 0.703 -9.264 -5.148 1.00 0.00 C ATOM 187 CG TYR A 15 1.892 -9.333 -4.216 1.00 0.00 C ATOM 188 CD1 TYR A 15 1.831 -8.791 -2.938 1.00 0.00 C ATOM 189 CD2 TYR A 15 3.077 -9.940 -4.614 1.00 0.00 C ATOM 190 CE1 TYR A 15 2.915 -8.852 -2.084 1.00 0.00 C ATOM 191 CE2 TYR A 15 4.165 -10.007 -3.766 1.00 0.00 C ATOM 192 CZ TYR A 15 4.080 -9.461 -2.503 1.00 0.00 C ATOM 193 OH TYR A 15 5.162 -9.524 -1.655 1.00 0.00 O ATOM 0 H TYR A 15 0.435 -6.354 -4.713 1.00 0.00 H new ATOM 0 HA TYR A 15 1.318 -8.125 -6.864 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.213 -9.324 -4.560 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.717 -10.133 -5.806 1.00 0.00 H new ATOM 0 HD1 TYR A 15 0.920 -8.314 -2.607 1.00 0.00 H new ATOM 0 HD2 TYR A 15 3.148 -10.367 -5.604 1.00 0.00 H new ATOM 0 HE1 TYR A 15 2.851 -8.425 -1.094 1.00 0.00 H new ATOM 0 HE2 TYR A 15 5.078 -10.485 -4.091 1.00 0.00 H new ATOM 0 HH TYR A 15 5.902 -9.986 -2.102 1.00 0.00 H new ATOM 203 N ASP A 16 -1.081 -8.325 -7.648 1.00 0.00 N ATOM 204 CA ASP A 16 -2.407 -8.169 -8.234 1.00 0.00 C ATOM 205 C ASP A 16 -3.477 -8.761 -7.323 1.00 0.00 C ATOM 206 O ASP A 16 -3.640 -9.980 -7.250 1.00 0.00 O ATOM 207 CB ASP A 16 -2.462 -8.837 -9.608 1.00 0.00 C ATOM 208 CG ASP A 16 -1.942 -10.260 -9.582 1.00 0.00 C ATOM 209 OD1 ASP A 16 -0.707 -10.441 -9.617 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.770 -11.194 -9.526 1.00 0.00 O ATOM 0 H ASP A 16 -0.446 -8.909 -8.192 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.603 -7.103 -8.349 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -3.491 -8.836 -9.968 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -1.876 -8.252 -10.317 1.00 0.00 H new ATOM 215 N TYR A 17 -4.203 -7.892 -6.629 1.00 0.00 N ATOM 216 CA TYR A 17 -5.256 -8.330 -5.719 1.00 0.00 C ATOM 217 C TYR A 17 -6.593 -8.437 -6.446 1.00 0.00 C ATOM 218 O TYR A 17 -6.878 -7.670 -7.366 1.00 0.00 O ATOM 219 CB TYR A 17 -5.378 -7.360 -4.543 1.00 0.00 C ATOM 220 CG TYR A 17 -6.696 -7.463 -3.808 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.018 -8.598 -3.075 1.00 0.00 C ATOM 222 CD2 TYR A 17 -7.617 -6.424 -3.845 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.220 -8.697 -2.403 1.00 0.00 C ATOM 224 CE2 TYR A 17 -8.822 -6.513 -3.174 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.119 -7.652 -2.455 1.00 0.00 C ATOM 226 OH TYR A 17 -10.317 -7.746 -1.785 1.00 0.00 O ATOM 0 H TYR A 17 -4.082 -6.880 -6.679 1.00 0.00 H new ATOM 0 HA TYR A 17 -4.988 -9.317 -5.341 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -4.565 -7.548 -3.842 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -5.254 -6.341 -4.909 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -6.316 -9.417 -3.030 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -7.388 -5.531 -4.408 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -8.455 -9.588 -1.840 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -9.527 -5.696 -3.212 1.00 0.00 H new ATOM 0 HH TYR A 17 -10.834 -6.925 -1.923 1.00 0.00 H new ATOM 236 N THR A 18 -7.413 -9.396 -6.025 1.00 0.00 N ATOM 237 CA THR A 18 -8.720 -9.607 -6.633 1.00 0.00 C ATOM 238 C THR A 18 -9.836 -9.103 -5.726 1.00 0.00 C ATOM 239 O THR A 18 -10.098 -9.678 -4.670 1.00 0.00 O ATOM 240 CB THR A 18 -8.961 -11.095 -6.947 1.00 0.00 C ATOM 241 OG1 THR A 18 -7.949 -11.578 -7.838 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.333 -11.302 -7.570 1.00 0.00 C ATOM 0 H THR A 18 -7.194 -10.039 -5.264 1.00 0.00 H new ATOM 0 HA THR A 18 -8.730 -9.041 -7.565 1.00 0.00 H new ATOM 0 HB THR A 18 -8.917 -11.652 -6.011 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.108 -12.525 -8.031 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.480 -12.361 -7.783 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.102 -10.961 -6.877 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.401 -10.733 -8.497 1.00 0.00 H new ATOM 250 N ALA A 19 -10.493 -8.026 -6.145 1.00 0.00 N ATOM 251 CA ALA A 19 -11.584 -7.447 -5.371 1.00 0.00 C ATOM 252 C ALA A 19 -12.804 -8.361 -5.374 1.00 0.00 C ATOM 253 O ALA A 19 -13.481 -8.504 -6.391 1.00 0.00 O ATOM 254 CB ALA A 19 -11.948 -6.075 -5.918 1.00 0.00 C ATOM 0 H ALA A 19 -10.288 -7.537 -7.016 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.248 -7.337 -4.340 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -12.764 -5.654 -5.331 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.081 -5.417 -5.858 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.260 -6.169 -6.958 1.00 0.00 H new ATOM 260 N GLN A 20 -13.078 -8.978 -4.228 1.00 0.00 N ATOM 261 CA GLN A 20 -14.217 -9.879 -4.100 1.00 0.00 C ATOM 262 C GLN A 20 -15.529 -9.102 -4.105 1.00 0.00 C ATOM 263 O GLN A 20 -16.517 -9.536 -4.697 1.00 0.00 O ATOM 264 CB GLN A 20 -14.101 -10.701 -2.816 1.00 0.00 C ATOM 265 CG GLN A 20 -12.988 -11.736 -2.854 1.00 0.00 C ATOM 266 CD GLN A 20 -13.095 -12.664 -4.047 1.00 0.00 C ATOM 267 OE1 GLN A 20 -14.093 -13.365 -4.216 1.00 0.00 O ATOM 268 NE2 GLN A 20 -12.063 -12.675 -4.883 1.00 0.00 N ATOM 0 H GLN A 20 -12.527 -8.870 -3.376 1.00 0.00 H new ATOM 0 HA GLN A 20 -14.213 -10.554 -4.956 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -13.930 -10.027 -1.977 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -15.049 -11.206 -2.631 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -12.024 -11.227 -2.880 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -13.013 -12.325 -1.937 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -11.256 -12.078 -4.705 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.078 -13.281 -5.703 1.00 0.00 H new ATOM 277 N ASN A 21 -15.532 -7.952 -3.439 1.00 0.00 N ATOM 278 CA ASN A 21 -16.724 -7.114 -3.366 1.00 0.00 C ATOM 279 C ASN A 21 -16.678 -6.008 -4.416 1.00 0.00 C ATOM 280 O ASN A 21 -15.610 -5.570 -4.845 1.00 0.00 O ATOM 281 CB ASN A 21 -16.858 -6.503 -1.970 1.00 0.00 C ATOM 282 CG ASN A 21 -16.479 -7.478 -0.872 1.00 0.00 C ATOM 283 OD1 ASN A 21 -17.345 -8.051 -0.210 1.00 0.00 O ATOM 284 ND2 ASN A 21 -15.181 -7.672 -0.675 1.00 0.00 N ATOM 0 H ASN A 21 -14.723 -7.579 -2.942 1.00 0.00 H new ATOM 0 HA ASN A 21 -17.592 -7.742 -3.565 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -16.224 -5.619 -1.901 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -17.885 -6.171 -1.819 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -14.866 -8.318 0.049 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -14.498 -7.175 -1.248 1.00 0.00 H new ATOM 291 N PRO A 22 -17.863 -5.545 -4.840 1.00 0.00 N ATOM 292 CA PRO A 22 -17.985 -4.483 -5.843 1.00 0.00 C ATOM 293 C PRO A 22 -17.535 -3.127 -5.311 1.00 0.00 C ATOM 294 O PRO A 22 -17.352 -2.179 -6.074 1.00 0.00 O ATOM 295 CB PRO A 22 -19.483 -4.464 -6.159 1.00 0.00 C ATOM 296 CG PRO A 22 -20.135 -5.009 -4.935 1.00 0.00 C ATOM 297 CD PRO A 22 -19.175 -6.021 -4.371 1.00 0.00 C ATOM 0 HA PRO A 22 -17.354 -4.669 -6.712 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -19.829 -3.453 -6.375 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -19.711 -5.073 -7.034 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -20.335 -4.217 -4.214 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.093 -5.471 -5.175 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -19.224 -6.058 -3.283 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -19.391 -7.026 -4.734 1.00 0.00 H new ATOM 305 N ASP A 23 -17.357 -3.043 -3.997 1.00 0.00 N ATOM 306 CA ASP A 23 -16.927 -1.802 -3.362 1.00 0.00 C ATOM 307 C ASP A 23 -15.405 -1.693 -3.359 1.00 0.00 C ATOM 308 O ASP A 23 -14.851 -0.616 -3.575 1.00 0.00 O ATOM 309 CB ASP A 23 -17.459 -1.726 -1.930 1.00 0.00 C ATOM 310 CG ASP A 23 -17.457 -0.311 -1.387 1.00 0.00 C ATOM 311 OD1 ASP A 23 -16.416 0.368 -1.505 1.00 0.00 O ATOM 312 OD2 ASP A 23 -18.496 0.118 -0.842 1.00 0.00 O ATOM 0 H ASP A 23 -17.504 -3.819 -3.351 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.332 -0.969 -3.936 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.474 -2.122 -1.901 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -16.851 -2.361 -1.285 1.00 0.00 H new ATOM 317 N GLU A 24 -14.737 -2.815 -3.112 1.00 0.00 N ATOM 318 CA GLU A 24 -13.279 -2.844 -3.079 1.00 0.00 C ATOM 319 C GLU A 24 -12.697 -2.459 -4.436 1.00 0.00 C ATOM 320 O GLU A 24 -13.432 -2.164 -5.379 1.00 0.00 O ATOM 321 CB GLU A 24 -12.783 -4.234 -2.675 1.00 0.00 C ATOM 322 CG GLU A 24 -13.209 -4.649 -1.276 1.00 0.00 C ATOM 323 CD GLU A 24 -12.212 -4.228 -0.214 1.00 0.00 C ATOM 324 OE1 GLU A 24 -11.013 -4.543 -0.366 1.00 0.00 O ATOM 325 OE2 GLU A 24 -12.632 -3.581 0.769 1.00 0.00 O ATOM 0 H GLU A 24 -15.181 -3.715 -2.932 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.943 -2.117 -2.339 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.156 -4.966 -3.391 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.695 -4.254 -2.735 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -14.181 -4.210 -1.051 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -13.333 -5.731 -1.244 1.00 0.00 H new ATOM 332 N LEU A 25 -11.371 -2.464 -4.527 1.00 0.00 N ATOM 333 CA LEU A 25 -10.688 -2.115 -5.768 1.00 0.00 C ATOM 334 C LEU A 25 -9.528 -3.068 -6.038 1.00 0.00 C ATOM 335 O LEU A 25 -8.658 -3.260 -5.188 1.00 0.00 O ATOM 336 CB LEU A 25 -10.176 -0.676 -5.704 1.00 0.00 C ATOM 337 CG LEU A 25 -11.139 0.403 -6.201 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.625 1.787 -5.838 1.00 0.00 C ATOM 339 CD2 LEU A 25 -11.341 0.284 -7.705 1.00 0.00 C ATOM 0 H LEU A 25 -10.748 -2.706 -3.756 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.404 -2.203 -6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.913 -0.451 -4.670 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.258 -0.612 -6.288 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.102 0.257 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.324 2.541 -6.200 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.532 1.868 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.650 1.945 -6.298 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.029 1.059 -8.042 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -10.383 0.404 -8.211 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -11.756 -0.696 -7.940 1.00 0.00 H new ATOM 351 N ASP A 26 -9.521 -3.662 -7.226 1.00 0.00 N ATOM 352 CA ASP A 26 -8.466 -4.593 -7.610 1.00 0.00 C ATOM 353 C ASP A 26 -7.141 -3.862 -7.805 1.00 0.00 C ATOM 354 O ASP A 26 -7.006 -3.028 -8.701 1.00 0.00 O ATOM 355 CB ASP A 26 -8.850 -5.331 -8.893 1.00 0.00 C ATOM 356 CG ASP A 26 -9.151 -4.383 -10.038 1.00 0.00 C ATOM 357 OD1 ASP A 26 -8.194 -3.923 -10.694 1.00 0.00 O ATOM 358 OD2 ASP A 26 -10.344 -4.101 -10.276 1.00 0.00 O ATOM 0 H ASP A 26 -10.234 -3.515 -7.940 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.345 -5.319 -6.806 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.038 -5.999 -9.182 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -9.723 -5.955 -8.702 1.00 0.00 H new ATOM 363 N LEU A 27 -6.167 -4.179 -6.959 1.00 0.00 N ATOM 364 CA LEU A 27 -4.852 -3.552 -7.038 1.00 0.00 C ATOM 365 C LEU A 27 -3.980 -4.243 -8.081 1.00 0.00 C ATOM 366 O LEU A 27 -4.394 -5.225 -8.699 1.00 0.00 O ATOM 367 CB LEU A 27 -4.163 -3.594 -5.672 1.00 0.00 C ATOM 368 CG LEU A 27 -4.909 -2.914 -4.523 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.183 -3.144 -3.207 1.00 0.00 C ATOM 370 CD2 LEU A 27 -5.065 -1.425 -4.796 1.00 0.00 C ATOM 0 H LEU A 27 -6.263 -4.866 -6.211 1.00 0.00 H new ATOM 0 HA LEU A 27 -4.990 -2.513 -7.338 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -3.996 -4.637 -5.403 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.182 -3.129 -5.768 1.00 0.00 H new ATOM 0 HG LEU A 27 -5.903 -3.355 -4.448 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.728 -2.653 -2.400 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.124 -4.214 -3.006 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.177 -2.730 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -5.598 -0.957 -3.968 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -4.080 -0.969 -4.898 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -5.629 -1.281 -5.718 1.00 0.00 H new ATOM 382 N SER A 28 -2.771 -3.726 -8.271 1.00 0.00 N ATOM 383 CA SER A 28 -1.841 -4.292 -9.241 1.00 0.00 C ATOM 384 C SER A 28 -0.445 -3.703 -9.063 1.00 0.00 C ATOM 385 O SER A 28 -0.241 -2.501 -9.231 1.00 0.00 O ATOM 386 CB SER A 28 -2.337 -4.036 -10.665 1.00 0.00 C ATOM 387 OG SER A 28 -1.861 -5.028 -11.558 1.00 0.00 O ATOM 0 H SER A 28 -2.412 -2.916 -7.766 1.00 0.00 H new ATOM 0 HA SER A 28 -1.787 -5.367 -9.071 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.427 -4.025 -10.677 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.004 -3.053 -10.998 1.00 0.00 H new ATOM 0 HG SER A 28 -2.194 -4.842 -12.461 1.00 0.00 H new ATOM 393 N ALA A 29 0.513 -4.559 -8.723 1.00 0.00 N ATOM 394 CA ALA A 29 1.890 -4.125 -8.524 1.00 0.00 C ATOM 395 C ALA A 29 2.294 -3.087 -9.565 1.00 0.00 C ATOM 396 O ALA A 29 2.088 -3.281 -10.762 1.00 0.00 O ATOM 397 CB ALA A 29 2.832 -5.319 -8.573 1.00 0.00 C ATOM 0 H ALA A 29 0.361 -5.557 -8.580 1.00 0.00 H new ATOM 0 HA ALA A 29 1.960 -3.661 -7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.857 -4.980 -8.423 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.565 -6.026 -7.787 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.750 -5.808 -9.544 1.00 0.00 H new ATOM 403 N GLY A 30 2.871 -1.982 -9.100 1.00 0.00 N ATOM 404 CA GLY A 30 3.294 -0.929 -10.005 1.00 0.00 C ATOM 405 C GLY A 30 2.341 0.249 -10.009 1.00 0.00 C ATOM 406 O GLY A 30 2.766 1.400 -10.100 1.00 0.00 O ATOM 0 H GLY A 30 3.053 -1.798 -8.113 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.289 -0.587 -9.720 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.373 -1.332 -11.015 1.00 0.00 H new ATOM 410 N ASP A 31 1.047 -0.038 -9.913 1.00 0.00 N ATOM 411 CA ASP A 31 0.030 1.007 -9.907 1.00 0.00 C ATOM 412 C ASP A 31 0.233 1.956 -8.730 1.00 0.00 C ATOM 413 O ASP A 31 0.504 1.522 -7.609 1.00 0.00 O ATOM 414 CB ASP A 31 -1.367 0.388 -9.843 1.00 0.00 C ATOM 415 CG ASP A 31 -1.747 -0.318 -11.130 1.00 0.00 C ATOM 416 OD1 ASP A 31 -0.856 -0.933 -11.755 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.934 -0.257 -11.512 1.00 0.00 O ATOM 0 H ASP A 31 0.678 -0.986 -9.838 1.00 0.00 H new ATOM 0 HA ASP A 31 0.125 1.577 -10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.409 -0.322 -9.017 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -2.098 1.168 -9.631 1.00 0.00 H new ATOM 422 N ILE A 32 0.103 3.252 -8.992 1.00 0.00 N ATOM 423 CA ILE A 32 0.272 4.262 -7.955 1.00 0.00 C ATOM 424 C ILE A 32 -1.077 4.760 -7.447 1.00 0.00 C ATOM 425 O ILE A 32 -1.925 5.193 -8.229 1.00 0.00 O ATOM 426 CB ILE A 32 1.091 5.462 -8.466 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.461 4.997 -8.965 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.247 6.502 -7.367 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.286 4.301 -7.905 1.00 0.00 C ATOM 0 H ILE A 32 -0.119 3.627 -9.914 1.00 0.00 H new ATOM 0 HA ILE A 32 0.812 3.786 -7.136 1.00 0.00 H new ATOM 0 HB ILE A 32 0.558 5.919 -9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.321 4.320 -9.808 1.00 0.00 H new ATOM 0 HG13 ILE A 32 3.015 5.859 -9.337 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.828 7.344 -7.743 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.263 6.851 -7.054 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.762 6.057 -6.516 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.244 3.999 -8.329 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.457 4.982 -7.072 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.753 3.419 -7.549 1.00 0.00 H new ATOM 441 N LEU A 33 -1.268 4.698 -6.134 1.00 0.00 N ATOM 442 CA LEU A 33 -2.514 5.145 -5.521 1.00 0.00 C ATOM 443 C LEU A 33 -2.246 6.190 -4.442 1.00 0.00 C ATOM 444 O LEU A 33 -1.097 6.439 -4.079 1.00 0.00 O ATOM 445 CB LEU A 33 -3.265 3.956 -4.920 1.00 0.00 C ATOM 446 CG LEU A 33 -3.484 2.762 -5.849 1.00 0.00 C ATOM 447 CD1 LEU A 33 -3.654 1.483 -5.043 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.694 2.996 -6.742 1.00 0.00 C ATOM 0 H LEU A 33 -0.577 4.343 -5.474 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.129 5.600 -6.297 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.718 3.612 -4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.238 4.304 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 33 -2.604 2.654 -6.484 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -3.809 0.644 -5.721 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -2.759 1.307 -4.446 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.516 1.581 -4.383 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.835 2.136 -7.397 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -5.582 3.131 -6.124 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -4.533 3.889 -7.346 1.00 0.00 H new ATOM 460 N GLU A 34 -3.314 6.796 -3.933 1.00 0.00 N ATOM 461 CA GLU A 34 -3.193 7.812 -2.895 1.00 0.00 C ATOM 462 C GLU A 34 -4.067 7.468 -1.692 1.00 0.00 C ATOM 463 O GLU A 34 -5.295 7.475 -1.781 1.00 0.00 O ATOM 464 CB GLU A 34 -3.582 9.185 -3.446 1.00 0.00 C ATOM 465 CG GLU A 34 -3.616 10.278 -2.391 1.00 0.00 C ATOM 466 CD GLU A 34 -3.592 11.670 -2.991 1.00 0.00 C ATOM 467 OE1 GLU A 34 -2.527 12.080 -3.498 1.00 0.00 O ATOM 468 OE2 GLU A 34 -4.639 12.349 -2.953 1.00 0.00 O ATOM 0 H GLU A 34 -4.272 6.601 -4.223 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.153 7.840 -2.570 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.875 9.467 -4.226 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.563 9.114 -3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.514 10.164 -1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.763 10.160 -1.723 1.00 0.00 H new ATOM 475 N VAL A 35 -3.424 7.167 -0.568 1.00 0.00 N ATOM 476 CA VAL A 35 -4.142 6.821 0.653 1.00 0.00 C ATOM 477 C VAL A 35 -4.889 8.027 1.212 1.00 0.00 C ATOM 478 O VAL A 35 -4.280 9.032 1.579 1.00 0.00 O ATOM 479 CB VAL A 35 -3.185 6.279 1.732 1.00 0.00 C ATOM 480 CG1 VAL A 35 -3.946 5.959 3.009 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.446 5.052 1.220 1.00 0.00 C ATOM 0 H VAL A 35 -2.408 7.156 -0.478 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.859 6.043 0.389 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.449 7.050 1.960 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.254 5.577 3.759 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.425 6.864 3.384 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.706 5.206 2.801 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.774 4.682 1.995 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.166 4.275 0.962 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.868 5.318 0.335 1.00 0.00 H new ATOM 491 N ILE A 36 -6.212 7.919 1.274 1.00 0.00 N ATOM 492 CA ILE A 36 -7.043 9.000 1.790 1.00 0.00 C ATOM 493 C ILE A 36 -7.260 8.857 3.293 1.00 0.00 C ATOM 494 O ILE A 36 -7.243 9.844 4.030 1.00 0.00 O ATOM 495 CB ILE A 36 -8.412 9.043 1.086 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.228 9.081 -0.432 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.213 10.247 1.559 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.619 10.371 -0.935 1.00 0.00 C ATOM 0 H ILE A 36 -6.731 7.094 0.973 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.512 9.930 1.589 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.965 8.140 1.343 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.594 8.247 -0.734 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.196 8.935 -0.911 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.178 10.264 1.053 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.369 10.180 2.636 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.666 11.161 1.328 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.518 10.327 -2.019 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.263 11.207 -0.664 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.636 10.509 -0.484 1.00 0.00 H new ATOM 510 N LEU A 37 -7.463 7.623 3.741 1.00 0.00 N ATOM 511 CA LEU A 37 -7.682 7.350 5.157 1.00 0.00 C ATOM 512 C LEU A 37 -7.155 5.969 5.533 1.00 0.00 C ATOM 513 O LEU A 37 -7.250 5.024 4.750 1.00 0.00 O ATOM 514 CB LEU A 37 -9.172 7.448 5.491 1.00 0.00 C ATOM 515 CG LEU A 37 -9.513 7.800 6.939 1.00 0.00 C ATOM 516 CD1 LEU A 37 -9.460 9.305 7.149 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.884 7.255 7.311 1.00 0.00 C ATOM 0 H LEU A 37 -7.481 6.796 3.144 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.136 8.096 5.734 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.621 8.198 4.840 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.642 6.494 5.250 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.771 7.337 7.590 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.706 9.537 8.185 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.458 9.669 6.924 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -10.179 9.790 6.489 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.110 7.515 8.345 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.638 7.689 6.654 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -10.887 6.171 7.200 1.00 0.00 H new ATOM 529 N GLU A 38 -6.601 5.860 6.736 1.00 0.00 N ATOM 530 CA GLU A 38 -6.060 4.593 7.215 1.00 0.00 C ATOM 531 C GLU A 38 -7.072 3.869 8.098 1.00 0.00 C ATOM 532 O GLU A 38 -7.466 4.371 9.150 1.00 0.00 O ATOM 533 CB GLU A 38 -4.764 4.829 7.994 1.00 0.00 C ATOM 534 CG GLU A 38 -3.650 5.431 7.154 1.00 0.00 C ATOM 535 CD GLU A 38 -3.694 6.946 7.127 1.00 0.00 C ATOM 536 OE1 GLU A 38 -3.927 7.553 8.193 1.00 0.00 O ATOM 537 OE2 GLU A 38 -3.494 7.526 6.038 1.00 0.00 O ATOM 0 H GLU A 38 -6.515 6.633 7.396 1.00 0.00 H new ATOM 0 HA GLU A 38 -5.846 3.967 6.348 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -4.971 5.490 8.835 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.422 3.881 8.410 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.687 5.106 7.548 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -3.722 5.051 6.135 1.00 0.00 H new ATOM 544 N GLY A 39 -7.489 2.684 7.661 1.00 0.00 N ATOM 545 CA GLY A 39 -8.452 1.910 8.422 1.00 0.00 C ATOM 546 C GLY A 39 -7.814 1.165 9.577 1.00 0.00 C ATOM 547 O GLY A 39 -6.801 0.488 9.403 1.00 0.00 O ATOM 0 H GLY A 39 -7.177 2.247 6.794 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.226 2.575 8.806 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.944 1.196 7.761 1.00 0.00 H new ATOM 551 N GLU A 40 -8.406 1.291 10.760 1.00 0.00 N ATOM 552 CA GLU A 40 -7.886 0.625 11.949 1.00 0.00 C ATOM 553 C GLU A 40 -7.942 -0.892 11.791 1.00 0.00 C ATOM 554 O GLU A 40 -7.008 -1.600 12.167 1.00 0.00 O ATOM 555 CB GLU A 40 -8.679 1.050 13.187 1.00 0.00 C ATOM 556 CG GLU A 40 -8.186 0.411 14.474 1.00 0.00 C ATOM 557 CD GLU A 40 -6.694 0.588 14.680 1.00 0.00 C ATOM 558 OE1 GLU A 40 -6.176 1.678 14.359 1.00 0.00 O ATOM 559 OE2 GLU A 40 -6.045 -0.364 15.161 1.00 0.00 O ATOM 0 H GLU A 40 -9.245 1.848 10.921 1.00 0.00 H new ATOM 0 HA GLU A 40 -6.845 0.922 12.074 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.628 2.134 13.287 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.728 0.793 13.042 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.720 0.846 15.319 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -8.423 -0.653 14.461 1.00 0.00 H new ATOM 566 N ASP A 41 -9.044 -1.382 11.235 1.00 0.00 N ATOM 567 CA ASP A 41 -9.223 -2.814 11.027 1.00 0.00 C ATOM 568 C ASP A 41 -8.233 -3.341 9.992 1.00 0.00 C ATOM 569 O ASP A 41 -7.678 -4.428 10.147 1.00 0.00 O ATOM 570 CB ASP A 41 -10.655 -3.111 10.578 1.00 0.00 C ATOM 571 CG ASP A 41 -10.870 -4.578 10.261 1.00 0.00 C ATOM 572 OD1 ASP A 41 -10.830 -5.400 11.201 1.00 0.00 O ATOM 573 OD2 ASP A 41 -11.079 -4.904 9.074 1.00 0.00 O ATOM 0 H ASP A 41 -9.827 -0.809 10.920 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.035 -3.320 11.974 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.349 -2.806 11.361 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.887 -2.514 9.696 1.00 0.00 H new ATOM 578 N GLY A 42 -8.018 -2.563 8.936 1.00 0.00 N ATOM 579 CA GLY A 42 -7.096 -2.968 7.891 1.00 0.00 C ATOM 580 C GLY A 42 -7.526 -2.486 6.520 1.00 0.00 C ATOM 581 O GLY A 42 -6.712 -2.407 5.599 1.00 0.00 O ATOM 0 H GLY A 42 -8.466 -1.659 8.785 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.103 -2.578 8.115 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.016 -4.055 7.882 1.00 0.00 H new ATOM 585 N TRP A 43 -8.807 -2.164 6.382 1.00 0.00 N ATOM 586 CA TRP A 43 -9.343 -1.689 5.112 1.00 0.00 C ATOM 587 C TRP A 43 -8.891 -0.260 4.831 1.00 0.00 C ATOM 588 O TRP A 43 -9.430 0.693 5.393 1.00 0.00 O ATOM 589 CB TRP A 43 -10.871 -1.761 5.121 1.00 0.00 C ATOM 590 CG TRP A 43 -11.399 -3.156 5.265 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.195 -3.631 6.268 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.166 -4.256 4.379 1.00 0.00 C ATOM 593 NE1 TRP A 43 -12.471 -4.961 6.058 1.00 0.00 N ATOM 594 CE2 TRP A 43 -11.853 -5.368 4.906 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.447 -4.410 3.191 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -11.838 -6.614 4.285 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.433 -5.648 2.576 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.126 -6.736 3.123 1.00 0.00 C ATOM 0 H TRP A 43 -9.494 -2.223 7.134 1.00 0.00 H new ATOM 0 HA TRP A 43 -8.960 -2.334 4.321 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.252 -1.150 5.939 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.253 -1.329 4.196 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -12.554 -3.048 7.103 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.044 -5.550 6.663 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -9.912 -3.577 2.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.370 -7.455 4.706 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -9.879 -5.779 1.658 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.098 -7.690 2.617 1.00 0.00 H new ATOM 609 N TRP A 44 -7.899 -0.119 3.959 1.00 0.00 N ATOM 610 CA TRP A 44 -7.375 1.195 3.603 1.00 0.00 C ATOM 611 C TRP A 44 -8.176 1.810 2.460 1.00 0.00 C ATOM 612 O TRP A 44 -8.616 1.108 1.549 1.00 0.00 O ATOM 613 CB TRP A 44 -5.901 1.090 3.211 1.00 0.00 C ATOM 614 CG TRP A 44 -4.979 0.990 4.389 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.199 0.298 5.545 1.00 0.00 C ATOM 616 CD2 TRP A 44 -3.692 1.603 4.524 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.126 0.444 6.392 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.188 1.239 5.788 1.00 0.00 C ATOM 619 CE3 TRP A 44 -2.916 2.422 3.700 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -1.945 1.668 6.245 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.682 2.847 4.155 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.206 2.470 5.418 1.00 0.00 C ATOM 0 H TRP A 44 -7.441 -0.898 3.486 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.466 1.843 4.475 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -5.763 0.215 2.575 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.627 1.962 2.617 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.086 -0.279 5.762 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.042 0.028 7.319 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.274 2.718 2.725 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -1.577 1.378 7.218 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.074 3.481 3.526 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.238 2.819 5.745 1.00 0.00 H new ATOM 633 N THR A 45 -8.361 3.125 2.513 1.00 0.00 N ATOM 634 CA THR A 45 -9.110 3.833 1.483 1.00 0.00 C ATOM 635 C THR A 45 -8.173 4.573 0.534 1.00 0.00 C ATOM 636 O THR A 45 -7.433 5.465 0.947 1.00 0.00 O ATOM 637 CB THR A 45 -10.099 4.841 2.099 1.00 0.00 C ATOM 638 OG1 THR A 45 -10.988 4.168 2.996 1.00 0.00 O ATOM 639 CG2 THR A 45 -10.900 5.544 1.014 1.00 0.00 C ATOM 0 H THR A 45 -8.002 3.721 3.259 1.00 0.00 H new ATOM 0 HA THR A 45 -9.669 3.081 0.926 1.00 0.00 H new ATOM 0 HB THR A 45 -9.528 5.589 2.648 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.536 3.528 2.495 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.592 6.251 1.473 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.221 6.079 0.350 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.462 4.806 0.441 1.00 0.00 H new ATOM 647 N VAL A 46 -8.212 4.197 -0.741 1.00 0.00 N ATOM 648 CA VAL A 46 -7.367 4.826 -1.749 1.00 0.00 C ATOM 649 C VAL A 46 -8.190 5.279 -2.950 1.00 0.00 C ATOM 650 O VAL A 46 -9.364 4.933 -3.075 1.00 0.00 O ATOM 651 CB VAL A 46 -6.261 3.869 -2.231 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.370 3.454 -1.070 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.869 2.651 -2.910 1.00 0.00 C ATOM 0 H VAL A 46 -8.820 3.460 -1.100 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.906 5.695 -1.279 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.644 4.393 -2.961 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.595 2.778 -1.430 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.906 4.338 -0.633 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.970 2.948 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.073 1.986 -3.244 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.511 2.123 -2.204 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.460 2.970 -3.769 1.00 0.00 H new ATOM 663 N GLU A 47 -7.566 6.056 -3.829 1.00 0.00 N ATOM 664 CA GLU A 47 -8.241 6.557 -5.020 1.00 0.00 C ATOM 665 C GLU A 47 -7.674 5.910 -6.281 1.00 0.00 C ATOM 666 O GLU A 47 -6.461 5.890 -6.489 1.00 0.00 O ATOM 667 CB GLU A 47 -8.105 8.078 -5.109 1.00 0.00 C ATOM 668 CG GLU A 47 -9.030 8.713 -6.134 1.00 0.00 C ATOM 669 CD GLU A 47 -8.543 10.074 -6.595 1.00 0.00 C ATOM 670 OE1 GLU A 47 -7.615 10.122 -7.428 1.00 0.00 O ATOM 671 OE2 GLU A 47 -9.093 11.091 -6.121 1.00 0.00 O ATOM 0 H GLU A 47 -6.594 6.352 -3.739 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.297 6.298 -4.943 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.310 8.511 -4.130 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.074 8.328 -5.358 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.119 8.052 -6.996 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.027 8.814 -5.705 1.00 0.00 H new ATOM 678 N ARG A 48 -8.560 5.382 -7.118 1.00 0.00 N ATOM 679 CA ARG A 48 -8.149 4.732 -8.357 1.00 0.00 C ATOM 680 C ARG A 48 -8.688 5.484 -9.570 1.00 0.00 C ATOM 681 O ARG A 48 -9.857 5.347 -9.928 1.00 0.00 O ATOM 682 CB ARG A 48 -8.636 3.282 -8.384 1.00 0.00 C ATOM 683 CG ARG A 48 -8.114 2.487 -9.570 1.00 0.00 C ATOM 684 CD ARG A 48 -6.681 2.031 -9.348 1.00 0.00 C ATOM 685 NE ARG A 48 -6.031 1.641 -10.596 1.00 0.00 N ATOM 686 CZ ARG A 48 -6.175 0.446 -11.158 1.00 0.00 C ATOM 687 NH1 ARG A 48 -6.942 -0.471 -10.585 1.00 0.00 N ATOM 688 NH2 ARG A 48 -5.551 0.166 -12.295 1.00 0.00 N ATOM 0 H ARG A 48 -9.568 5.391 -6.961 1.00 0.00 H new ATOM 0 HA ARG A 48 -7.060 4.742 -8.399 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -8.329 2.787 -7.462 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.726 3.274 -8.403 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -8.752 1.619 -9.736 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -8.167 3.098 -10.471 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -6.113 2.835 -8.880 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -6.672 1.189 -8.656 1.00 0.00 H new ATOM 0 HE ARG A 48 -5.433 2.324 -11.062 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -7.423 -0.260 -9.711 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -7.051 -1.388 -11.018 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -4.960 0.869 -12.739 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -5.663 -0.752 -12.725 1.00 0.00 H new ATOM 702 N ASN A 49 -7.828 6.279 -10.198 1.00 0.00 N ATOM 703 CA ASN A 49 -8.219 7.054 -11.370 1.00 0.00 C ATOM 704 C ASN A 49 -9.426 7.935 -11.063 1.00 0.00 C ATOM 705 O ASN A 49 -10.334 8.069 -11.881 1.00 0.00 O ATOM 706 CB ASN A 49 -8.538 6.121 -12.540 1.00 0.00 C ATOM 707 CG ASN A 49 -8.303 6.780 -13.886 1.00 0.00 C ATOM 708 OD1 ASN A 49 -7.708 7.855 -13.967 1.00 0.00 O ATOM 709 ND2 ASN A 49 -8.771 6.137 -14.949 1.00 0.00 N ATOM 0 H ASN A 49 -6.856 6.404 -9.915 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.383 7.698 -11.644 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.922 5.225 -12.465 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.577 5.800 -12.472 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -8.643 6.532 -15.881 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -9.258 5.248 -14.834 1.00 0.00 H new ATOM 716 N GLY A 50 -9.428 8.534 -9.875 1.00 0.00 N ATOM 717 CA GLY A 50 -10.527 9.395 -9.481 1.00 0.00 C ATOM 718 C GLY A 50 -11.565 8.666 -8.650 1.00 0.00 C ATOM 719 O GLY A 50 -12.266 9.278 -7.845 1.00 0.00 O ATOM 0 H GLY A 50 -8.688 8.438 -9.179 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.137 10.239 -8.912 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.002 9.804 -10.373 1.00 0.00 H new ATOM 723 N GLN A 51 -11.663 7.355 -8.846 1.00 0.00 N ATOM 724 CA GLN A 51 -12.625 6.543 -8.110 1.00 0.00 C ATOM 725 C GLN A 51 -12.128 6.259 -6.696 1.00 0.00 C ATOM 726 O GLN A 51 -10.954 6.464 -6.388 1.00 0.00 O ATOM 727 CB GLN A 51 -12.883 5.227 -8.846 1.00 0.00 C ATOM 728 CG GLN A 51 -13.778 5.379 -10.066 1.00 0.00 C ATOM 729 CD GLN A 51 -15.150 5.924 -9.719 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.578 5.871 -8.566 1.00 0.00 O ATOM 731 NE2 GLN A 51 -15.847 6.452 -10.718 1.00 0.00 N ATOM 0 H GLN A 51 -11.089 6.833 -9.508 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.558 7.102 -8.043 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.929 4.800 -9.156 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -13.340 4.518 -8.156 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.298 6.044 -10.784 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.889 4.411 -10.554 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.453 6.475 -11.659 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -16.777 6.835 -10.545 1.00 0.00 H new ATOM 740 N ARG A 52 -13.029 5.786 -5.841 1.00 0.00 N ATOM 741 CA ARG A 52 -12.682 5.475 -4.460 1.00 0.00 C ATOM 742 C ARG A 52 -13.064 4.039 -4.113 1.00 0.00 C ATOM 743 O ARG A 52 -14.180 3.599 -4.386 1.00 0.00 O ATOM 744 CB ARG A 52 -13.382 6.445 -3.506 1.00 0.00 C ATOM 745 CG ARG A 52 -12.616 6.689 -2.216 1.00 0.00 C ATOM 746 CD ARG A 52 -13.289 7.751 -1.361 1.00 0.00 C ATOM 747 NE ARG A 52 -14.297 7.180 -0.471 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.054 7.907 0.344 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.918 9.225 0.381 1.00 0.00 N ATOM 750 NH2 ARG A 52 -15.950 7.314 1.124 1.00 0.00 N ATOM 0 H ARG A 52 -14.005 5.610 -6.081 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.603 5.582 -4.350 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.532 7.397 -4.015 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.370 6.054 -3.264 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.544 5.759 -1.653 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.598 7.000 -2.449 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.536 8.271 -0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.755 8.495 -2.007 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.427 6.168 -0.475 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.231 9.684 -0.217 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.500 9.780 1.008 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.057 6.300 1.098 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.531 7.872 1.749 1.00 0.00 H new ATOM 764 N GLY A 53 -12.128 3.312 -3.510 1.00 0.00 N ATOM 765 CA GLY A 53 -12.385 1.934 -3.137 1.00 0.00 C ATOM 766 C GLY A 53 -11.712 1.551 -1.833 1.00 0.00 C ATOM 767 O GLY A 53 -11.116 2.394 -1.163 1.00 0.00 O ATOM 0 H GLY A 53 -11.196 3.653 -3.273 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.460 1.780 -3.046 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -12.034 1.274 -3.931 1.00 0.00 H new ATOM 771 N PHE A 54 -11.810 0.276 -1.471 1.00 0.00 N ATOM 772 CA PHE A 54 -11.208 -0.216 -0.237 1.00 0.00 C ATOM 773 C PHE A 54 -10.298 -1.409 -0.514 1.00 0.00 C ATOM 774 O PHE A 54 -10.661 -2.324 -1.253 1.00 0.00 O ATOM 775 CB PHE A 54 -12.296 -0.612 0.763 1.00 0.00 C ATOM 776 CG PHE A 54 -13.226 0.514 1.115 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.815 1.528 1.966 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.509 0.559 0.595 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.669 2.565 2.292 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.367 1.594 0.918 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.945 2.599 1.766 1.00 0.00 C ATOM 0 H PHE A 54 -12.300 -0.435 -2.014 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.606 0.586 0.190 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -12.877 -1.436 0.348 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -11.824 -0.981 1.674 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.817 1.508 2.379 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.843 -0.223 -0.070 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -13.338 3.348 2.958 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.366 1.616 0.508 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.612 3.410 2.017 1.00 0.00 H new ATOM 791 N VAL A 55 -9.111 -1.391 0.084 1.00 0.00 N ATOM 792 CA VAL A 55 -8.147 -2.470 -0.097 1.00 0.00 C ATOM 793 C VAL A 55 -7.253 -2.619 1.129 1.00 0.00 C ATOM 794 O VAL A 55 -6.960 -1.655 1.836 1.00 0.00 O ATOM 795 CB VAL A 55 -7.265 -2.233 -1.337 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.126 -1.990 -2.567 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.317 -1.067 -1.101 1.00 0.00 C ATOM 0 H VAL A 55 -8.794 -0.641 0.698 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.720 -3.386 -0.239 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.668 -3.128 -1.513 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.485 -1.825 -3.433 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.759 -2.859 -2.745 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.751 -1.112 -2.406 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.701 -0.914 -1.987 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.894 -0.164 -0.899 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.676 -1.286 -0.247 1.00 0.00 H new ATOM 807 N PRO A 56 -6.806 -3.857 1.388 1.00 0.00 N ATOM 808 CA PRO A 56 -5.937 -4.163 2.529 1.00 0.00 C ATOM 809 C PRO A 56 -4.536 -3.587 2.360 1.00 0.00 C ATOM 810 O PRO A 56 -3.917 -3.733 1.306 1.00 0.00 O ATOM 811 CB PRO A 56 -5.889 -5.693 2.538 1.00 0.00 C ATOM 812 CG PRO A 56 -6.169 -6.089 1.130 1.00 0.00 C ATOM 813 CD PRO A 56 -7.115 -5.054 0.588 1.00 0.00 C ATOM 0 HA PRO A 56 -6.313 -3.730 3.456 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -4.915 -6.057 2.865 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.630 -6.108 3.221 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.250 -6.123 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.612 -7.084 1.085 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -6.953 -4.879 -0.476 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.155 -5.359 0.706 1.00 0.00 H new ATOM 821 N GLY A 57 -4.039 -2.932 3.405 1.00 0.00 N ATOM 822 CA GLY A 57 -2.713 -2.345 3.352 1.00 0.00 C ATOM 823 C GLY A 57 -1.627 -3.383 3.157 1.00 0.00 C ATOM 824 O GLY A 57 -0.528 -3.064 2.702 1.00 0.00 O ATOM 0 H GLY A 57 -4.532 -2.797 4.288 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -2.671 -1.623 2.537 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.525 -1.796 4.275 1.00 0.00 H new ATOM 828 N SER A 58 -1.932 -4.629 3.505 1.00 0.00 N ATOM 829 CA SER A 58 -0.970 -5.718 3.371 1.00 0.00 C ATOM 830 C SER A 58 -0.429 -5.793 1.946 1.00 0.00 C ATOM 831 O SER A 58 0.762 -6.018 1.734 1.00 0.00 O ATOM 832 CB SER A 58 -1.619 -7.049 3.753 1.00 0.00 C ATOM 833 OG SER A 58 -1.684 -7.200 5.161 1.00 0.00 O ATOM 0 H SER A 58 -2.837 -4.910 3.882 1.00 0.00 H new ATOM 0 HA SER A 58 -0.138 -5.520 4.047 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.623 -7.102 3.332 1.00 0.00 H new ATOM 0 HB3 SER A 58 -1.049 -7.872 3.322 1.00 0.00 H new ATOM 0 HG SER A 58 -2.104 -8.058 5.379 1.00 0.00 H new ATOM 839 N TYR A 59 -1.314 -5.603 0.974 1.00 0.00 N ATOM 840 CA TYR A 59 -0.927 -5.651 -0.431 1.00 0.00 C ATOM 841 C TYR A 59 -0.254 -4.350 -0.856 1.00 0.00 C ATOM 842 O TYR A 59 0.488 -4.312 -1.838 1.00 0.00 O ATOM 843 CB TYR A 59 -2.151 -5.916 -1.310 1.00 0.00 C ATOM 844 CG TYR A 59 -2.571 -7.368 -1.341 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.336 -7.913 -0.317 1.00 0.00 C ATOM 846 CD2 TYR A 59 -2.205 -8.195 -2.396 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.721 -9.239 -0.342 1.00 0.00 C ATOM 848 CE2 TYR A 59 -2.587 -9.522 -2.430 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.344 -10.039 -1.400 1.00 0.00 C ATOM 850 OH TYR A 59 -3.727 -11.361 -1.429 1.00 0.00 O ATOM 0 H TYR A 59 -2.304 -5.414 1.133 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.214 -6.466 -0.557 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -2.984 -5.313 -0.949 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -1.936 -5.587 -2.327 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.635 -7.289 0.512 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -1.611 -7.793 -3.204 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.314 -9.647 0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -2.295 -10.151 -3.258 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.381 -11.784 -2.242 1.00 0.00 H new ATOM 860 N LEU A 60 -0.518 -3.283 -0.109 1.00 0.00 N ATOM 861 CA LEU A 60 0.062 -1.978 -0.406 1.00 0.00 C ATOM 862 C LEU A 60 1.423 -1.822 0.265 1.00 0.00 C ATOM 863 O LEU A 60 1.769 -2.578 1.172 1.00 0.00 O ATOM 864 CB LEU A 60 -0.878 -0.863 0.056 1.00 0.00 C ATOM 865 CG LEU A 60 -2.283 -0.876 -0.549 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.266 -0.170 0.371 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.276 -0.227 -1.925 1.00 0.00 C ATOM 0 H LEU A 60 -1.130 -3.296 0.707 1.00 0.00 H new ATOM 0 HA LEU A 60 0.199 -1.905 -1.485 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.971 -0.919 1.141 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.413 0.096 -0.175 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.602 -1.913 -0.660 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.260 -0.189 -0.075 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.291 -0.678 1.335 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.952 0.864 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.283 -0.245 -2.341 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.937 0.805 -1.839 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.602 -0.776 -2.583 1.00 0.00 H new ATOM 879 N GLU A 61 2.189 -0.834 -0.187 1.00 0.00 N ATOM 880 CA GLU A 61 3.512 -0.578 0.372 1.00 0.00 C ATOM 881 C GLU A 61 3.823 0.916 0.370 1.00 0.00 C ATOM 882 O GLU A 61 3.583 1.611 -0.617 1.00 0.00 O ATOM 883 CB GLU A 61 4.580 -1.334 -0.422 1.00 0.00 C ATOM 884 CG GLU A 61 6.001 -0.986 -0.014 1.00 0.00 C ATOM 885 CD GLU A 61 6.317 -1.400 1.410 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.051 -0.601 2.332 1.00 0.00 O ATOM 887 OE2 GLU A 61 6.829 -2.522 1.603 1.00 0.00 O ATOM 0 H GLU A 61 1.917 -0.199 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 61 3.518 -0.931 1.403 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.426 -2.405 -0.293 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.452 -1.119 -1.483 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.700 -1.474 -0.694 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.152 0.088 -0.118 1.00 0.00 H new ATOM 894 N LYS A 62 4.359 1.403 1.484 1.00 0.00 N ATOM 895 CA LYS A 62 4.705 2.814 1.614 1.00 0.00 C ATOM 896 C LYS A 62 5.744 3.217 0.572 1.00 0.00 C ATOM 897 O LYS A 62 6.783 2.570 0.434 1.00 0.00 O ATOM 898 CB LYS A 62 5.237 3.103 3.019 1.00 0.00 C ATOM 899 CG LYS A 62 5.192 4.573 3.396 1.00 0.00 C ATOM 900 CD LYS A 62 6.149 4.887 4.534 1.00 0.00 C ATOM 901 CE LYS A 62 5.496 4.665 5.889 1.00 0.00 C ATOM 902 NZ LYS A 62 6.277 5.291 6.991 1.00 0.00 N ATOM 0 H LYS A 62 4.563 0.841 2.310 1.00 0.00 H new ATOM 0 HA LYS A 62 3.802 3.401 1.447 1.00 0.00 H new ATOM 0 HB2 LYS A 62 4.655 2.533 3.743 1.00 0.00 H new ATOM 0 HB3 LYS A 62 6.266 2.750 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 62 5.447 5.180 2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 62 4.177 4.844 3.688 1.00 0.00 H new ATOM 0 HD2 LYS A 62 7.036 4.259 4.449 1.00 0.00 H new ATOM 0 HD3 LYS A 62 6.483 5.922 4.455 1.00 0.00 H new ATOM 0 HE2 LYS A 62 4.488 5.079 5.878 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.400 3.595 6.075 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.799 5.117 7.898 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.231 4.878 7.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 6.348 6.316 6.828 1.00 0.00 H new ATOM 916 N LEU A 63 5.458 4.290 -0.157 1.00 0.00 N ATOM 917 CA LEU A 63 6.369 4.781 -1.185 1.00 0.00 C ATOM 918 C LEU A 63 7.386 5.752 -0.594 1.00 0.00 C ATOM 919 O LEU A 63 7.202 6.968 -0.647 1.00 0.00 O ATOM 920 CB LEU A 63 5.584 5.466 -2.305 1.00 0.00 C ATOM 921 CG LEU A 63 5.103 4.560 -3.439 1.00 0.00 C ATOM 922 CD1 LEU A 63 4.183 5.324 -4.378 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.288 3.985 -4.201 1.00 0.00 C ATOM 0 H LEU A 63 4.603 4.837 -0.055 1.00 0.00 H new ATOM 0 HA LEU A 63 6.907 3.927 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 63 4.715 5.956 -1.865 1.00 0.00 H new ATOM 0 HB3 LEU A 63 6.209 6.249 -2.733 1.00 0.00 H new ATOM 0 HG LEU A 63 4.540 3.734 -3.005 1.00 0.00 H new ATOM 0 HD11 LEU A 63 3.851 4.663 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 63 3.317 5.687 -3.824 1.00 0.00 H new ATOM 0 HD13 LEU A 63 4.721 6.170 -4.805 1.00 0.00 H new ATOM 0 HD21 LEU A 63 5.927 3.343 -5.004 1.00 0.00 H new ATOM 0 HD22 LEU A 63 6.878 4.798 -4.624 1.00 0.00 H new ATOM 0 HD23 LEU A 63 6.909 3.402 -3.521 1.00 0.00 H new