USER MOD reduce.3.24.130724 H: found=0, std=0, add=403, rem=0, adj=9 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= -0.0156 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 TYR OH : rot -173:sc= 0.657 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0.46 X(o=0.46,f=0) USER MOD Single : A 21 ASN : amide:sc= -0.211 X(o=-0.21,f=-0.22) USER MOD Single : A 28 SER OG : rot 55:sc= 0.89 USER MOD Single : A 45 THR OG1 : rot -58:sc= 0.88 USER MOD Single : A 49 ASN : amide:sc= -0.113 K(o=-0.11,f=-0.72) USER MOD Single : A 51 GLN : amide:sc= -0.717 K(o=-0.72,f=-3.2!) 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+ 163:sc= -0.676 (180deg=-1.13) USER MOD ----------------------------------------------------------------- ATOM 93 N GLU A 10 2.489 8.716 -1.464 1.00 0.00 N ATOM 94 CA GLU A 10 2.014 7.784 -2.480 1.00 0.00 C ATOM 95 C GLU A 10 2.305 6.342 -2.074 1.00 0.00 C ATOM 96 O GLU A 10 3.340 6.051 -1.474 1.00 0.00 O ATOM 97 CB GLU A 10 2.671 8.087 -3.829 1.00 0.00 C ATOM 98 CG GLU A 10 4.129 7.666 -3.905 1.00 0.00 C ATOM 99 CD GLU A 10 5.062 8.678 -3.267 1.00 0.00 C ATOM 100 OE1 GLU A 10 5.223 9.778 -3.836 1.00 0.00 O ATOM 101 OE2 GLU A 10 5.630 8.369 -2.199 1.00 0.00 O ATOM 0 HA GLU A 10 0.935 7.907 -2.573 1.00 0.00 H new ATOM 0 HB2 GLU A 10 2.114 7.580 -4.617 1.00 0.00 H new ATOM 0 HB3 GLU A 10 2.600 9.157 -4.026 1.00 0.00 H new ATOM 0 HG2 GLU A 10 4.251 6.702 -3.411 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.409 7.527 -4.949 1.00 0.00 H new ATOM 108 N TYR A 11 1.384 5.444 -2.404 1.00 0.00 N ATOM 109 CA TYR A 11 1.539 4.033 -2.072 1.00 0.00 C ATOM 110 C TYR A 11 1.477 3.167 -3.326 1.00 0.00 C ATOM 111 O TYR A 11 0.572 3.308 -4.148 1.00 0.00 O ATOM 112 CB TYR A 11 0.453 3.598 -1.085 1.00 0.00 C ATOM 113 CG TYR A 11 0.641 4.157 0.307 1.00 0.00 C ATOM 114 CD1 TYR A 11 0.722 5.527 0.521 1.00 0.00 C ATOM 115 CD2 TYR A 11 0.736 3.315 1.408 1.00 0.00 C ATOM 116 CE1 TYR A 11 0.894 6.043 1.791 1.00 0.00 C ATOM 117 CE2 TYR A 11 0.907 3.821 2.682 1.00 0.00 C ATOM 118 CZ TYR A 11 0.986 5.186 2.868 1.00 0.00 C ATOM 119 OH TYR A 11 1.156 5.695 4.135 1.00 0.00 O ATOM 0 H TYR A 11 0.522 5.668 -2.901 1.00 0.00 H new ATOM 0 HA TYR A 11 2.517 3.901 -1.609 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.519 3.912 -1.465 1.00 0.00 H new ATOM 0 HB3 TYR A 11 0.438 2.509 -1.031 1.00 0.00 H new ATOM 0 HD1 TYR A 11 0.649 6.201 -0.320 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.675 2.246 1.265 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.956 7.111 1.940 1.00 0.00 H new ATOM 0 HE2 TYR A 11 0.978 3.152 3.527 1.00 0.00 H new ATOM 0 HH TYR A 11 1.201 4.959 4.780 1.00 0.00 H new ATOM 129 N ARG A 12 2.448 2.270 -3.466 1.00 0.00 N ATOM 130 CA ARG A 12 2.506 1.381 -4.620 1.00 0.00 C ATOM 131 C ARG A 12 2.051 -0.026 -4.246 1.00 0.00 C ATOM 132 O ARG A 12 2.500 -0.590 -3.248 1.00 0.00 O ATOM 133 CB ARG A 12 3.927 1.336 -5.185 1.00 0.00 C ATOM 134 CG ARG A 12 4.077 0.414 -6.384 1.00 0.00 C ATOM 135 CD ARG A 12 5.403 0.636 -7.095 1.00 0.00 C ATOM 136 NE ARG A 12 6.505 -0.051 -6.427 1.00 0.00 N ATOM 137 CZ ARG A 12 7.704 -0.220 -6.973 1.00 0.00 C ATOM 138 NH1 ARG A 12 7.955 0.246 -8.188 1.00 0.00 N ATOM 139 NH2 ARG A 12 8.656 -0.857 -6.302 1.00 0.00 N ATOM 0 H ARG A 12 3.205 2.140 -2.795 1.00 0.00 H new ATOM 0 HA ARG A 12 1.832 1.772 -5.382 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.227 2.344 -5.473 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.611 1.012 -4.400 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.007 -0.624 -6.057 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.256 0.585 -7.081 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.326 0.283 -8.123 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.616 1.704 -7.140 1.00 0.00 H new ATOM 0 HE ARG A 12 6.345 -0.421 -5.490 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.226 0.736 -8.707 1.00 0.00 H new ATOM 0 HH12 ARG A 12 8.877 0.114 -8.604 1.00 0.00 H new ATOM 0 HH21 ARG A 12 8.467 -1.217 -5.367 1.00 0.00 H new ATOM 0 HH22 ARG A 12 9.577 -0.986 -6.722 1.00 0.00 H new ATOM 153 N ALA A 13 1.157 -0.588 -5.053 1.00 0.00 N ATOM 154 CA ALA A 13 0.643 -1.930 -4.808 1.00 0.00 C ATOM 155 C ALA A 13 1.779 -2.937 -4.674 1.00 0.00 C ATOM 156 O ALA A 13 2.871 -2.732 -5.207 1.00 0.00 O ATOM 157 CB ALA A 13 -0.304 -2.344 -5.924 1.00 0.00 C ATOM 0 H ALA A 13 0.774 -0.135 -5.882 1.00 0.00 H new ATOM 0 HA ALA A 13 0.093 -1.916 -3.867 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -0.680 -3.348 -5.728 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -1.140 -1.646 -5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 13 0.228 -2.335 -6.875 1.00 0.00 H new ATOM 163 N LEU A 14 1.517 -4.026 -3.959 1.00 0.00 N ATOM 164 CA LEU A 14 2.519 -5.066 -3.754 1.00 0.00 C ATOM 165 C LEU A 14 2.097 -6.369 -4.427 1.00 0.00 C ATOM 166 O LEU A 14 2.913 -7.055 -5.042 1.00 0.00 O ATOM 167 CB LEU A 14 2.742 -5.300 -2.259 1.00 0.00 C ATOM 168 CG LEU A 14 3.412 -4.158 -1.494 1.00 0.00 C ATOM 169 CD1 LEU A 14 3.399 -4.438 0.001 1.00 0.00 C ATOM 170 CD2 LEU A 14 4.836 -3.950 -1.987 1.00 0.00 C ATOM 0 H LEU A 14 0.619 -4.211 -3.512 1.00 0.00 H new ATOM 0 HA LEU A 14 3.452 -4.731 -4.206 1.00 0.00 H new ATOM 0 HB2 LEU A 14 1.777 -5.504 -1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 14 3.349 -6.197 -2.139 1.00 0.00 H new ATOM 0 HG LEU A 14 2.848 -3.243 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 14 3.880 -3.615 0.530 1.00 0.00 H new ATOM 0 HD12 LEU A 14 2.369 -4.537 0.344 1.00 0.00 H new ATOM 0 HD13 LEU A 14 3.939 -5.363 0.203 1.00 0.00 H new ATOM 0 HD21 LEU A 14 5.298 -3.134 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 5.411 -4.863 -1.834 1.00 0.00 H new ATOM 0 HD23 LEU A 14 4.821 -3.704 -3.049 1.00 0.00 H new ATOM 182 N TYR A 15 0.816 -6.702 -4.308 1.00 0.00 N ATOM 183 CA TYR A 15 0.285 -7.922 -4.904 1.00 0.00 C ATOM 184 C TYR A 15 -1.086 -7.673 -5.526 1.00 0.00 C ATOM 185 O TYR A 15 -1.826 -6.791 -5.090 1.00 0.00 O ATOM 186 CB TYR A 15 0.187 -9.028 -3.852 1.00 0.00 C ATOM 187 CG TYR A 15 1.394 -9.110 -2.945 1.00 0.00 C ATOM 188 CD1 TYR A 15 2.540 -9.787 -3.341 1.00 0.00 C ATOM 189 CD2 TYR A 15 1.388 -8.509 -1.692 1.00 0.00 C ATOM 190 CE1 TYR A 15 3.645 -9.865 -2.515 1.00 0.00 C ATOM 191 CE2 TYR A 15 2.489 -8.580 -0.860 1.00 0.00 C ATOM 192 CZ TYR A 15 3.614 -9.260 -1.276 1.00 0.00 C ATOM 193 OH TYR A 15 4.713 -9.334 -0.451 1.00 0.00 O ATOM 0 H TYR A 15 0.127 -6.144 -3.804 1.00 0.00 H new ATOM 0 HA TYR A 15 0.969 -8.239 -5.692 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -0.703 -8.862 -3.245 1.00 0.00 H new ATOM 0 HB3 TYR A 15 0.055 -9.986 -4.355 1.00 0.00 H new ATOM 0 HD1 TYR A 15 2.568 -10.261 -4.311 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.508 -7.977 -1.363 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.528 -10.397 -2.838 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.468 -8.106 0.110 1.00 0.00 H new ATOM 0 HH TYR A 15 4.528 -8.855 0.384 1.00 0.00 H new ATOM 203 N ASP A 16 -1.416 -8.456 -6.546 1.00 0.00 N ATOM 204 CA ASP A 16 -2.699 -8.323 -7.228 1.00 0.00 C ATOM 205 C ASP A 16 -3.839 -8.816 -6.342 1.00 0.00 C ATOM 206 O ASP A 16 -3.817 -9.948 -5.858 1.00 0.00 O ATOM 207 CB ASP A 16 -2.684 -9.103 -8.543 1.00 0.00 C ATOM 208 CG ASP A 16 -1.960 -8.360 -9.649 1.00 0.00 C ATOM 209 OD1 ASP A 16 -0.734 -8.157 -9.524 1.00 0.00 O ATOM 210 OD2 ASP A 16 -2.619 -7.983 -10.640 1.00 0.00 O ATOM 0 H ASP A 16 -0.814 -9.190 -6.920 1.00 0.00 H new ATOM 0 HA ASP A 16 -2.861 -7.267 -7.443 1.00 0.00 H new ATOM 0 HB2 ASP A 16 -2.204 -10.069 -8.384 1.00 0.00 H new ATOM 0 HB3 ASP A 16 -3.709 -9.304 -8.855 1.00 0.00 H new ATOM 215 N TYR A 17 -4.832 -7.959 -6.134 1.00 0.00 N ATOM 216 CA TYR A 17 -5.980 -8.306 -5.304 1.00 0.00 C ATOM 217 C TYR A 17 -7.242 -8.446 -6.150 1.00 0.00 C ATOM 218 O TYR A 17 -7.369 -7.823 -7.205 1.00 0.00 O ATOM 219 CB TYR A 17 -6.192 -7.246 -4.222 1.00 0.00 C ATOM 220 CG TYR A 17 -7.465 -7.437 -3.429 1.00 0.00 C ATOM 221 CD1 TYR A 17 -7.754 -8.653 -2.823 1.00 0.00 C ATOM 222 CD2 TYR A 17 -8.378 -6.400 -3.285 1.00 0.00 C ATOM 223 CE1 TYR A 17 -8.917 -8.832 -2.099 1.00 0.00 C ATOM 224 CE2 TYR A 17 -9.543 -6.569 -2.560 1.00 0.00 C ATOM 225 CZ TYR A 17 -9.807 -7.787 -1.970 1.00 0.00 C ATOM 226 OH TYR A 17 -10.966 -7.960 -1.248 1.00 0.00 O ATOM 0 H TYR A 17 -4.865 -7.019 -6.528 1.00 0.00 H new ATOM 0 HA TYR A 17 -5.776 -9.265 -4.828 1.00 0.00 H new ATOM 0 HB2 TYR A 17 -5.343 -7.261 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 17 -6.209 -6.261 -4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 17 -7.058 -9.473 -2.919 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -8.174 -5.445 -3.747 1.00 0.00 H new ATOM 0 HE1 TYR A 17 -9.128 -9.785 -1.637 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -10.242 -5.752 -2.456 1.00 0.00 H new ATOM 0 HH TYR A 17 -11.533 -7.166 -1.344 1.00 0.00 H new ATOM 236 N THR A 18 -8.174 -9.268 -5.678 1.00 0.00 N ATOM 237 CA THR A 18 -9.427 -9.490 -6.389 1.00 0.00 C ATOM 238 C THR A 18 -10.620 -9.034 -5.558 1.00 0.00 C ATOM 239 O THR A 18 -11.148 -9.793 -4.745 1.00 0.00 O ATOM 240 CB THR A 18 -9.608 -10.976 -6.756 1.00 0.00 C ATOM 241 OG1 THR A 18 -8.442 -11.459 -7.432 1.00 0.00 O ATOM 242 CG2 THR A 18 -10.831 -11.169 -7.640 1.00 0.00 C ATOM 0 H THR A 18 -8.085 -9.791 -4.807 1.00 0.00 H new ATOM 0 HA THR A 18 -9.380 -8.900 -7.304 1.00 0.00 H new ATOM 0 HB THR A 18 -9.753 -11.541 -5.835 1.00 0.00 H new ATOM 0 HG1 THR A 18 -8.564 -12.404 -7.660 1.00 0.00 H new ATOM 0 HG21 THR A 18 -10.939 -12.225 -7.886 1.00 0.00 H new ATOM 0 HG22 THR A 18 -11.720 -10.827 -7.110 1.00 0.00 H new ATOM 0 HG23 THR A 18 -10.711 -10.593 -8.558 1.00 0.00 H new ATOM 250 N ALA A 19 -11.040 -7.791 -5.766 1.00 0.00 N ATOM 251 CA ALA A 19 -12.174 -7.235 -5.037 1.00 0.00 C ATOM 252 C ALA A 19 -13.441 -8.042 -5.295 1.00 0.00 C ATOM 253 O ALA A 19 -13.775 -8.341 -6.441 1.00 0.00 O ATOM 254 CB ALA A 19 -12.386 -5.779 -5.422 1.00 0.00 C ATOM 0 H ALA A 19 -10.612 -7.149 -6.433 1.00 0.00 H new ATOM 0 HA ALA A 19 -11.951 -7.289 -3.971 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -13.236 -5.377 -4.870 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -11.492 -5.205 -5.180 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -12.583 -5.711 -6.492 1.00 0.00 H new ATOM 260 N GLN A 20 -14.143 -8.393 -4.222 1.00 0.00 N ATOM 261 CA GLN A 20 -15.373 -9.167 -4.333 1.00 0.00 C ATOM 262 C GLN A 20 -16.565 -8.258 -4.613 1.00 0.00 C ATOM 263 O GLN A 20 -17.311 -8.472 -5.568 1.00 0.00 O ATOM 264 CB GLN A 20 -15.616 -9.965 -3.051 1.00 0.00 C ATOM 265 CG GLN A 20 -14.432 -10.822 -2.634 1.00 0.00 C ATOM 266 CD GLN A 20 -14.235 -12.025 -3.535 1.00 0.00 C ATOM 267 OE1 GLN A 20 -15.044 -12.954 -3.534 1.00 0.00 O ATOM 268 NE2 GLN A 20 -13.158 -12.014 -4.310 1.00 0.00 N ATOM 0 H GLN A 20 -13.880 -8.153 -3.266 1.00 0.00 H new ATOM 0 HA GLN A 20 -15.263 -9.859 -5.168 1.00 0.00 H new ATOM 0 HB2 GLN A 20 -15.856 -9.274 -2.243 1.00 0.00 H new ATOM 0 HB3 GLN A 20 -16.486 -10.606 -3.191 1.00 0.00 H new ATOM 0 HG2 GLN A 20 -13.527 -10.214 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 20 -14.577 -11.161 -1.608 1.00 0.00 H new ATOM 0 HE21 GLN A 20 -12.515 -11.223 -4.278 1.00 0.00 H new ATOM 0 HE22 GLN A 20 -12.973 -12.796 -4.938 1.00 0.00 H new ATOM 277 N ASN A 21 -16.738 -7.241 -3.775 1.00 0.00 N ATOM 278 CA ASN A 21 -17.840 -6.299 -3.932 1.00 0.00 C ATOM 279 C ASN A 21 -17.579 -5.345 -5.094 1.00 0.00 C ATOM 280 O ASN A 21 -16.436 -5.061 -5.451 1.00 0.00 O ATOM 281 CB ASN A 21 -18.047 -5.504 -2.641 1.00 0.00 C ATOM 282 CG ASN A 21 -17.892 -6.364 -1.402 1.00 0.00 C ATOM 283 OD1 ASN A 21 -18.769 -7.161 -1.072 1.00 0.00 O ATOM 284 ND2 ASN A 21 -16.771 -6.204 -0.708 1.00 0.00 N ATOM 0 H ASN A 21 -16.129 -7.048 -2.980 1.00 0.00 H new ATOM 0 HA ASN A 21 -18.744 -6.868 -4.149 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -17.330 -4.684 -2.603 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -19.041 -5.057 -2.648 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -16.611 -6.754 0.136 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -16.070 -5.531 -1.019 1.00 0.00 H new ATOM 291 N PRO A 22 -18.664 -4.838 -5.698 1.00 0.00 N ATOM 292 CA PRO A 22 -18.578 -3.907 -6.827 1.00 0.00 C ATOM 293 C PRO A 22 -18.048 -2.539 -6.412 1.00 0.00 C ATOM 294 O PRO A 22 -17.713 -1.710 -7.258 1.00 0.00 O ATOM 295 CB PRO A 22 -20.027 -3.796 -7.306 1.00 0.00 C ATOM 296 CG PRO A 22 -20.849 -4.121 -6.107 1.00 0.00 C ATOM 297 CD PRO A 22 -20.057 -5.133 -5.324 1.00 0.00 C ATOM 0 HA PRO A 22 -17.887 -4.259 -7.593 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -20.246 -2.794 -7.676 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -20.228 -4.489 -8.123 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -21.040 -3.229 -5.511 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -21.819 -4.524 -6.397 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -20.217 -5.025 -4.251 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -20.336 -6.153 -5.587 1.00 0.00 H new ATOM 305 N ASP A 23 -17.974 -2.310 -5.106 1.00 0.00 N ATOM 306 CA ASP A 23 -17.483 -1.042 -4.579 1.00 0.00 C ATOM 307 C ASP A 23 -15.960 -1.046 -4.485 1.00 0.00 C ATOM 308 O ASP A 23 -15.306 -0.061 -4.827 1.00 0.00 O ATOM 309 CB ASP A 23 -18.090 -0.768 -3.202 1.00 0.00 C ATOM 310 CG ASP A 23 -19.542 -0.339 -3.284 1.00 0.00 C ATOM 311 OD1 ASP A 23 -19.822 0.679 -3.952 1.00 0.00 O ATOM 312 OD2 ASP A 23 -20.398 -1.019 -2.680 1.00 0.00 O ATOM 0 H ASP A 23 -18.248 -2.986 -4.393 1.00 0.00 H new ATOM 0 HA ASP A 23 -17.785 -0.251 -5.265 1.00 0.00 H new ATOM 0 HB2 ASP A 23 -18.014 -1.666 -2.589 1.00 0.00 H new ATOM 0 HB3 ASP A 23 -17.512 0.009 -2.702 1.00 0.00 H new ATOM 317 N GLU A 24 -15.404 -2.159 -4.018 1.00 0.00 N ATOM 318 CA GLU A 24 -13.958 -2.289 -3.878 1.00 0.00 C ATOM 319 C GLU A 24 -13.274 -2.252 -5.242 1.00 0.00 C ATOM 320 O GLU A 24 -13.925 -2.377 -6.280 1.00 0.00 O ATOM 321 CB GLU A 24 -13.609 -3.591 -3.155 1.00 0.00 C ATOM 322 CG GLU A 24 -13.843 -3.536 -1.654 1.00 0.00 C ATOM 323 CD GLU A 24 -13.640 -4.880 -0.982 1.00 0.00 C ATOM 324 OE1 GLU A 24 -12.739 -5.629 -1.415 1.00 0.00 O ATOM 325 OE2 GLU A 24 -14.382 -5.183 -0.025 1.00 0.00 O ATOM 0 H GLU A 24 -15.932 -2.983 -3.730 1.00 0.00 H new ATOM 0 HA GLU A 24 -13.598 -1.446 -3.288 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -14.203 -4.402 -3.577 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.563 -3.831 -3.342 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -13.165 -2.806 -1.211 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -14.857 -3.187 -1.461 1.00 0.00 H new ATOM 332 N LEU A 25 -11.957 -2.080 -5.231 1.00 0.00 N ATOM 333 CA LEU A 25 -11.183 -2.026 -6.466 1.00 0.00 C ATOM 334 C LEU A 25 -10.159 -3.155 -6.517 1.00 0.00 C ATOM 335 O LEU A 25 -9.804 -3.732 -5.489 1.00 0.00 O ATOM 336 CB LEU A 25 -10.475 -0.675 -6.590 1.00 0.00 C ATOM 337 CG LEU A 25 -11.380 0.558 -6.603 1.00 0.00 C ATOM 338 CD1 LEU A 25 -10.574 1.815 -6.317 1.00 0.00 C ATOM 339 CD2 LEU A 25 -12.100 0.676 -7.939 1.00 0.00 C ATOM 0 H LEU A 25 -11.403 -1.976 -4.381 1.00 0.00 H new ATOM 0 HA LEU A 25 -11.872 -2.146 -7.302 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -9.774 -0.577 -5.761 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -9.886 -0.679 -7.507 1.00 0.00 H new ATOM 0 HG LEU A 25 -12.128 0.445 -5.818 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.235 2.682 -6.330 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -10.105 1.731 -5.337 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -9.804 1.934 -7.079 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -12.740 1.559 -7.931 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -11.367 0.766 -8.741 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -12.710 -0.212 -8.103 1.00 0.00 H new ATOM 351 N ASP A 26 -9.685 -3.464 -7.719 1.00 0.00 N ATOM 352 CA ASP A 26 -8.699 -4.522 -7.904 1.00 0.00 C ATOM 353 C ASP A 26 -7.289 -3.944 -7.978 1.00 0.00 C ATOM 354 O ASP A 26 -6.928 -3.284 -8.954 1.00 0.00 O ATOM 355 CB ASP A 26 -9.005 -5.318 -9.174 1.00 0.00 C ATOM 356 CG ASP A 26 -10.468 -5.703 -9.277 1.00 0.00 C ATOM 357 OD1 ASP A 26 -10.911 -6.568 -8.491 1.00 0.00 O ATOM 358 OD2 ASP A 26 -11.169 -5.141 -10.143 1.00 0.00 O ATOM 0 H ASP A 26 -9.968 -2.996 -8.580 1.00 0.00 H new ATOM 0 HA ASP A 26 -8.754 -5.190 -7.044 1.00 0.00 H new ATOM 0 HB2 ASP A 26 -8.726 -4.727 -10.046 1.00 0.00 H new ATOM 0 HB3 ASP A 26 -8.393 -6.220 -9.191 1.00 0.00 H new ATOM 363 N LEU A 27 -6.497 -4.195 -6.942 1.00 0.00 N ATOM 364 CA LEU A 27 -5.126 -3.699 -6.889 1.00 0.00 C ATOM 365 C LEU A 27 -4.254 -4.397 -7.927 1.00 0.00 C ATOM 366 O LEU A 27 -4.715 -5.284 -8.646 1.00 0.00 O ATOM 367 CB LEU A 27 -4.541 -3.908 -5.491 1.00 0.00 C ATOM 368 CG LEU A 27 -4.963 -2.892 -4.429 1.00 0.00 C ATOM 369 CD1 LEU A 27 -4.447 -3.307 -3.059 1.00 0.00 C ATOM 370 CD2 LEU A 27 -4.461 -1.502 -4.791 1.00 0.00 C ATOM 0 H LEU A 27 -6.780 -4.739 -6.127 1.00 0.00 H new ATOM 0 HA LEU A 27 -5.143 -2.633 -7.114 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -4.823 -4.903 -5.146 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.454 -3.893 -5.568 1.00 0.00 H new ATOM 0 HG LEU A 27 -6.052 -2.865 -4.392 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -4.757 -2.572 -2.316 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -4.855 -4.283 -2.797 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -3.359 -3.363 -3.082 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -4.771 -0.792 -4.024 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.373 -1.514 -4.857 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -4.879 -1.203 -5.752 1.00 0.00 H new ATOM 382 N SER A 28 -2.989 -3.993 -7.999 1.00 0.00 N ATOM 383 CA SER A 28 -2.052 -4.579 -8.950 1.00 0.00 C ATOM 384 C SER A 28 -0.641 -4.046 -8.721 1.00 0.00 C ATOM 385 O SER A 28 -0.400 -2.841 -8.799 1.00 0.00 O ATOM 386 CB SER A 28 -2.495 -4.281 -10.384 1.00 0.00 C ATOM 387 OG SER A 28 -2.026 -5.274 -11.279 1.00 0.00 O ATOM 0 H SER A 28 -2.590 -3.262 -7.410 1.00 0.00 H new ATOM 0 HA SER A 28 -2.044 -5.658 -8.796 1.00 0.00 H new ATOM 0 HB2 SER A 28 -3.583 -4.231 -10.429 1.00 0.00 H new ATOM 0 HB3 SER A 28 -2.118 -3.305 -10.689 1.00 0.00 H new ATOM 0 HG SER A 28 -2.317 -6.157 -10.969 1.00 0.00 H new ATOM 393 N ALA A 29 0.288 -4.952 -8.437 1.00 0.00 N ATOM 394 CA ALA A 29 1.676 -4.575 -8.198 1.00 0.00 C ATOM 395 C ALA A 29 2.199 -3.675 -9.312 1.00 0.00 C ATOM 396 O ALA A 29 2.185 -4.049 -10.484 1.00 0.00 O ATOM 397 CB ALA A 29 2.545 -5.817 -8.067 1.00 0.00 C ATOM 0 H ALA A 29 0.105 -5.953 -8.367 1.00 0.00 H new ATOM 0 HA ALA A 29 1.720 -4.015 -7.264 1.00 0.00 H new ATOM 0 HB1 ALA A 29 3.579 -5.521 -7.889 1.00 0.00 H new ATOM 0 HB2 ALA A 29 2.192 -6.422 -7.232 1.00 0.00 H new ATOM 0 HB3 ALA A 29 2.488 -6.400 -8.986 1.00 0.00 H new ATOM 403 N GLY A 30 2.661 -2.485 -8.937 1.00 0.00 N ATOM 404 CA GLY A 30 3.182 -1.550 -9.917 1.00 0.00 C ATOM 405 C GLY A 30 2.230 -0.402 -10.186 1.00 0.00 C ATOM 406 O GLY A 30 2.417 0.358 -11.137 1.00 0.00 O ATOM 0 H GLY A 30 2.684 -2.153 -7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 30 4.135 -1.153 -9.566 1.00 0.00 H new ATOM 0 HA3 GLY A 30 3.381 -2.079 -10.849 1.00 0.00 H new ATOM 410 N ASP A 31 1.206 -0.276 -9.349 1.00 0.00 N ATOM 411 CA ASP A 31 0.221 0.788 -9.501 1.00 0.00 C ATOM 412 C ASP A 31 0.476 1.913 -8.503 1.00 0.00 C ATOM 413 O ASP A 31 1.027 1.686 -7.426 1.00 0.00 O ATOM 414 CB ASP A 31 -1.192 0.233 -9.313 1.00 0.00 C ATOM 415 CG ASP A 31 -2.228 1.005 -10.108 1.00 0.00 C ATOM 416 OD1 ASP A 31 -2.313 2.239 -9.931 1.00 0.00 O ATOM 417 OD2 ASP A 31 -2.952 0.376 -10.906 1.00 0.00 O ATOM 0 H ASP A 31 1.037 -0.898 -8.558 1.00 0.00 H new ATOM 0 HA ASP A 31 0.313 1.194 -10.508 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -1.211 -0.814 -9.616 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -1.453 0.263 -8.255 1.00 0.00 H new ATOM 422 N ILE A 32 0.074 3.125 -8.870 1.00 0.00 N ATOM 423 CA ILE A 32 0.259 4.284 -8.006 1.00 0.00 C ATOM 424 C ILE A 32 -1.076 4.793 -7.475 1.00 0.00 C ATOM 425 O ILE A 32 -1.891 5.333 -8.225 1.00 0.00 O ATOM 426 CB ILE A 32 0.974 5.429 -8.748 1.00 0.00 C ATOM 427 CG1 ILE A 32 2.317 4.948 -9.301 1.00 0.00 C ATOM 428 CG2 ILE A 32 1.173 6.618 -7.820 1.00 0.00 C ATOM 429 CD1 ILE A 32 3.314 4.573 -8.227 1.00 0.00 C ATOM 0 H ILE A 32 -0.382 3.330 -9.759 1.00 0.00 H new ATOM 0 HA ILE A 32 0.879 3.959 -7.170 1.00 0.00 H new ATOM 0 HB ILE A 32 0.351 5.745 -9.584 1.00 0.00 H new ATOM 0 HG12 ILE A 32 2.147 4.085 -9.945 1.00 0.00 H new ATOM 0 HG13 ILE A 32 2.745 5.732 -9.925 1.00 0.00 H new ATOM 0 HG21 ILE A 32 1.679 7.419 -8.358 1.00 0.00 H new ATOM 0 HG22 ILE A 32 0.204 6.973 -7.470 1.00 0.00 H new ATOM 0 HG23 ILE A 32 1.779 6.315 -6.966 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.242 4.241 -8.692 1.00 0.00 H new ATOM 0 HD12 ILE A 32 3.513 5.440 -7.597 1.00 0.00 H new ATOM 0 HD13 ILE A 32 2.906 3.767 -7.617 1.00 0.00 H new ATOM 441 N LEU A 33 -1.294 4.620 -6.176 1.00 0.00 N ATOM 442 CA LEU A 33 -2.531 5.064 -5.542 1.00 0.00 C ATOM 443 C LEU A 33 -2.240 6.027 -4.395 1.00 0.00 C ATOM 444 O LEU A 33 -1.099 6.151 -3.951 1.00 0.00 O ATOM 445 CB LEU A 33 -3.322 3.861 -5.024 1.00 0.00 C ATOM 446 CG LEU A 33 -3.533 2.718 -6.018 1.00 0.00 C ATOM 447 CD1 LEU A 33 -2.299 1.831 -6.081 1.00 0.00 C ATOM 448 CD2 LEU A 33 -4.760 1.902 -5.639 1.00 0.00 C ATOM 0 H LEU A 33 -0.631 4.176 -5.541 1.00 0.00 H new ATOM 0 HA LEU A 33 -3.126 5.588 -6.290 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -2.809 3.464 -4.148 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -4.299 4.210 -4.690 1.00 0.00 H new ATOM 0 HG LEU A 33 -3.698 3.147 -7.006 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -2.467 1.023 -6.793 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.441 2.423 -6.400 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -2.103 1.410 -5.095 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.895 1.093 -6.357 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.625 1.483 -4.642 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -5.641 2.544 -5.646 1.00 0.00 H new ATOM 460 N GLU A 34 -3.280 6.705 -3.921 1.00 0.00 N ATOM 461 CA GLU A 34 -3.135 7.657 -2.825 1.00 0.00 C ATOM 462 C GLU A 34 -3.988 7.243 -1.629 1.00 0.00 C ATOM 463 O GLU A 34 -5.215 7.193 -1.715 1.00 0.00 O ATOM 464 CB GLU A 34 -3.529 9.062 -3.285 1.00 0.00 C ATOM 465 CG GLU A 34 -3.586 10.078 -2.156 1.00 0.00 C ATOM 466 CD GLU A 34 -4.003 11.456 -2.632 1.00 0.00 C ATOM 467 OE1 GLU A 34 -3.177 12.137 -3.274 1.00 0.00 O ATOM 468 OE2 GLU A 34 -5.156 11.852 -2.363 1.00 0.00 O ATOM 0 H GLU A 34 -4.231 6.613 -4.278 1.00 0.00 H new ATOM 0 HA GLU A 34 -2.089 7.663 -2.519 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -2.815 9.404 -4.034 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -4.504 9.016 -3.771 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -4.287 9.732 -1.396 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -2.607 10.143 -1.681 1.00 0.00 H new ATOM 475 N VAL A 35 -3.329 6.947 -0.513 1.00 0.00 N ATOM 476 CA VAL A 35 -4.025 6.538 0.701 1.00 0.00 C ATOM 477 C VAL A 35 -4.820 7.695 1.294 1.00 0.00 C ATOM 478 O VAL A 35 -4.253 8.609 1.893 1.00 0.00 O ATOM 479 CB VAL A 35 -3.041 6.008 1.761 1.00 0.00 C ATOM 480 CG1 VAL A 35 -3.780 5.638 3.038 1.00 0.00 C ATOM 481 CG2 VAL A 35 -2.265 4.817 1.219 1.00 0.00 C ATOM 0 H VAL A 35 -2.313 6.983 -0.425 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.709 5.737 0.420 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.329 6.798 1.998 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.069 5.266 3.775 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -4.285 6.519 3.434 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.516 4.864 2.821 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.575 4.455 1.981 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.960 4.021 0.952 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.704 5.120 0.335 1.00 0.00 H new ATOM 491 N ILE A 36 -6.137 7.649 1.124 1.00 0.00 N ATOM 492 CA ILE A 36 -7.011 8.693 1.644 1.00 0.00 C ATOM 493 C ILE A 36 -7.114 8.617 3.164 1.00 0.00 C ATOM 494 O ILE A 36 -6.809 9.581 3.867 1.00 0.00 O ATOM 495 CB ILE A 36 -8.424 8.598 1.039 1.00 0.00 C ATOM 496 CG1 ILE A 36 -8.354 8.651 -0.488 1.00 0.00 C ATOM 497 CG2 ILE A 36 -9.305 9.718 1.573 1.00 0.00 C ATOM 498 CD1 ILE A 36 -7.977 10.013 -1.029 1.00 0.00 C ATOM 0 H ILE A 36 -6.622 6.900 0.630 1.00 0.00 H new ATOM 0 HA ILE A 36 -6.567 9.647 1.360 1.00 0.00 H new ATOM 0 HB ILE A 36 -8.864 7.644 1.331 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -7.627 7.917 -0.836 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -9.321 8.361 -0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -10.300 9.638 1.136 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -9.377 9.638 2.658 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -8.869 10.681 1.308 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.947 9.976 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -8.716 10.748 -0.711 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.996 10.297 -0.648 1.00 0.00 H new ATOM 510 N LEU A 37 -7.545 7.464 3.664 1.00 0.00 N ATOM 511 CA LEU A 37 -7.687 7.260 5.102 1.00 0.00 C ATOM 512 C LEU A 37 -7.313 5.833 5.489 1.00 0.00 C ATOM 513 O LEU A 37 -7.509 4.898 4.713 1.00 0.00 O ATOM 514 CB LEU A 37 -9.122 7.560 5.540 1.00 0.00 C ATOM 515 CG LEU A 37 -9.398 7.466 7.041 1.00 0.00 C ATOM 516 CD1 LEU A 37 -8.937 8.731 7.749 1.00 0.00 C ATOM 517 CD2 LEU A 37 -10.878 7.219 7.296 1.00 0.00 C ATOM 0 H LEU A 37 -7.802 6.657 3.096 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.008 7.944 5.610 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -9.380 8.565 5.205 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -9.790 6.870 5.024 1.00 0.00 H new ATOM 0 HG LEU A 37 -8.835 6.624 7.443 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -9.142 8.646 8.816 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -7.866 8.865 7.594 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -9.472 9.590 7.344 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -11.057 7.155 8.369 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -11.461 8.041 6.880 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.178 6.284 6.822 1.00 0.00 H new ATOM 529 N GLU A 38 -6.774 5.674 6.694 1.00 0.00 N ATOM 530 CA GLU A 38 -6.374 4.360 7.183 1.00 0.00 C ATOM 531 C GLU A 38 -7.448 3.767 8.092 1.00 0.00 C ATOM 532 O GLU A 38 -7.812 4.358 9.108 1.00 0.00 O ATOM 533 CB GLU A 38 -5.047 4.455 7.939 1.00 0.00 C ATOM 534 CG GLU A 38 -3.872 4.848 7.060 1.00 0.00 C ATOM 535 CD GLU A 38 -3.676 6.350 6.984 1.00 0.00 C ATOM 536 OE1 GLU A 38 -4.646 7.089 7.256 1.00 0.00 O ATOM 537 OE2 GLU A 38 -2.554 6.787 6.653 1.00 0.00 O ATOM 0 H GLU A 38 -6.605 6.438 7.348 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.248 3.704 6.322 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.148 5.184 8.743 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -4.835 3.493 8.406 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -2.964 4.386 7.447 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -4.027 4.454 6.055 1.00 0.00 H new ATOM 544 N GLY A 39 -7.952 2.596 7.716 1.00 0.00 N ATOM 545 CA GLY A 39 -8.979 1.942 8.506 1.00 0.00 C ATOM 546 C GLY A 39 -8.409 1.196 9.695 1.00 0.00 C ATOM 547 O GLY A 39 -7.405 0.495 9.572 1.00 0.00 O ATOM 0 H GLY A 39 -7.668 2.088 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -9.693 2.687 8.857 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.530 1.245 7.874 1.00 0.00 H new ATOM 551 N GLU A 40 -9.050 1.348 10.850 1.00 0.00 N ATOM 552 CA GLU A 40 -8.597 0.684 12.067 1.00 0.00 C ATOM 553 C GLU A 40 -8.698 -0.833 11.929 1.00 0.00 C ATOM 554 O GLU A 40 -7.808 -1.567 12.359 1.00 0.00 O ATOM 555 CB GLU A 40 -9.422 1.153 13.267 1.00 0.00 C ATOM 556 CG GLU A 40 -8.940 2.467 13.860 1.00 0.00 C ATOM 557 CD GLU A 40 -7.553 2.360 14.465 1.00 0.00 C ATOM 558 OE1 GLU A 40 -7.342 1.465 15.309 1.00 0.00 O ATOM 559 OE2 GLU A 40 -6.680 3.172 14.094 1.00 0.00 O ATOM 0 H GLU A 40 -9.883 1.924 10.968 1.00 0.00 H new ATOM 0 HA GLU A 40 -7.552 0.949 12.227 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -10.463 1.262 12.962 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -9.395 0.384 14.039 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -8.936 3.232 13.083 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.642 2.795 14.626 1.00 0.00 H new ATOM 566 N ASP A 41 -9.788 -1.295 11.326 1.00 0.00 N ATOM 567 CA ASP A 41 -10.007 -2.723 11.130 1.00 0.00 C ATOM 568 C ASP A 41 -9.003 -3.295 10.134 1.00 0.00 C ATOM 569 O ASP A 41 -8.503 -4.405 10.309 1.00 0.00 O ATOM 570 CB ASP A 41 -11.433 -2.980 10.640 1.00 0.00 C ATOM 571 CG ASP A 41 -11.856 -4.424 10.823 1.00 0.00 C ATOM 572 OD1 ASP A 41 -10.985 -5.314 10.726 1.00 0.00 O ATOM 573 OD2 ASP A 41 -13.058 -4.665 11.062 1.00 0.00 O ATOM 0 H ASP A 41 -10.534 -0.701 10.964 1.00 0.00 H new ATOM 0 HA ASP A 41 -9.865 -3.222 12.089 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -12.122 -2.331 11.180 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -11.505 -2.714 9.585 1.00 0.00 H new ATOM 578 N GLY A 42 -8.712 -2.527 9.088 1.00 0.00 N ATOM 579 CA GLY A 42 -7.770 -2.975 8.079 1.00 0.00 C ATOM 580 C GLY A 42 -8.117 -2.464 6.695 1.00 0.00 C ATOM 581 O GLY A 42 -7.248 -2.362 5.828 1.00 0.00 O ATOM 0 H GLY A 42 -9.112 -1.603 8.922 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -6.768 -2.639 8.347 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.747 -4.065 8.066 1.00 0.00 H new ATOM 585 N TRP A 43 -9.389 -2.146 6.485 1.00 0.00 N ATOM 586 CA TRP A 43 -9.849 -1.645 5.195 1.00 0.00 C ATOM 587 C TRP A 43 -9.332 -0.232 4.944 1.00 0.00 C ATOM 588 O TRP A 43 -9.865 0.738 5.481 1.00 0.00 O ATOM 589 CB TRP A 43 -11.377 -1.660 5.134 1.00 0.00 C ATOM 590 CG TRP A 43 -11.947 -3.019 4.859 1.00 0.00 C ATOM 591 CD1 TRP A 43 -12.861 -3.693 5.618 1.00 0.00 C ATOM 592 CD2 TRP A 43 -11.639 -3.868 3.749 1.00 0.00 C ATOM 593 NE1 TRP A 43 -13.139 -4.911 5.046 1.00 0.00 N ATOM 594 CE2 TRP A 43 -12.404 -5.042 3.898 1.00 0.00 C ATOM 595 CE3 TRP A 43 -10.794 -3.751 2.642 1.00 0.00 C ATOM 596 CZ2 TRP A 43 -12.345 -6.089 2.982 1.00 0.00 C ATOM 597 CZ3 TRP A 43 -10.737 -4.792 1.735 1.00 0.00 C ATOM 598 CH2 TRP A 43 -11.509 -5.948 1.908 1.00 0.00 C ATOM 0 H TRP A 43 -10.120 -2.226 7.191 1.00 0.00 H new ATOM 0 HA TRP A 43 -9.455 -2.300 4.418 1.00 0.00 H new ATOM 0 HB2 TRP A 43 -11.775 -1.291 6.079 1.00 0.00 H new ATOM 0 HB3 TRP A 43 -11.709 -0.971 4.358 1.00 0.00 H new ATOM 0 HD1 TRP A 43 -13.300 -3.323 6.533 1.00 0.00 H new ATOM 0 HE1 TRP A 43 -13.788 -5.605 5.417 1.00 0.00 H new ATOM 0 HE3 TRP A 43 -10.196 -2.863 2.498 1.00 0.00 H new ATOM 0 HZ2 TRP A 43 -12.939 -6.981 3.115 1.00 0.00 H new ATOM 0 HZ3 TRP A 43 -10.085 -4.713 0.877 1.00 0.00 H new ATOM 0 HH2 TRP A 43 -11.443 -6.743 1.180 1.00 0.00 H new ATOM 609 N TRP A 44 -8.292 -0.125 4.124 1.00 0.00 N ATOM 610 CA TRP A 44 -7.704 1.170 3.802 1.00 0.00 C ATOM 611 C TRP A 44 -8.431 1.823 2.632 1.00 0.00 C ATOM 612 O TRP A 44 -8.777 1.159 1.654 1.00 0.00 O ATOM 613 CB TRP A 44 -6.219 1.011 3.471 1.00 0.00 C ATOM 614 CG TRP A 44 -5.348 0.901 4.686 1.00 0.00 C ATOM 615 CD1 TRP A 44 -5.642 0.248 5.849 1.00 0.00 C ATOM 616 CD2 TRP A 44 -4.042 1.462 4.857 1.00 0.00 C ATOM 617 NE1 TRP A 44 -4.597 0.370 6.733 1.00 0.00 N ATOM 618 CE2 TRP A 44 -3.603 1.109 6.148 1.00 0.00 C ATOM 619 CE3 TRP A 44 -3.199 2.226 4.045 1.00 0.00 C ATOM 620 CZ2 TRP A 44 -2.361 1.495 6.644 1.00 0.00 C ATOM 621 CZ3 TRP A 44 -1.967 2.609 4.538 1.00 0.00 C ATOM 622 CH2 TRP A 44 -1.556 2.243 5.827 1.00 0.00 C ATOM 0 H TRP A 44 -7.839 -0.919 3.671 1.00 0.00 H new ATOM 0 HA TRP A 44 -7.808 1.815 4.675 1.00 0.00 H new ATOM 0 HB2 TRP A 44 -6.085 0.122 2.855 1.00 0.00 H new ATOM 0 HB3 TRP A 44 -5.894 1.864 2.875 1.00 0.00 H new ATOM 0 HD1 TRP A 44 -6.560 -0.286 6.045 1.00 0.00 H new ATOM 0 HE1 TRP A 44 -4.566 -0.026 7.673 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -3.506 2.512 3.050 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 -2.044 1.215 7.638 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -1.309 3.201 3.919 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.586 2.557 6.183 1.00 0.00 H new ATOM 633 N THR A 45 -8.662 3.128 2.737 1.00 0.00 N ATOM 634 CA THR A 45 -9.349 3.869 1.687 1.00 0.00 C ATOM 635 C THR A 45 -8.355 4.509 0.725 1.00 0.00 C ATOM 636 O THR A 45 -7.719 5.511 1.049 1.00 0.00 O ATOM 637 CB THR A 45 -10.255 4.967 2.276 1.00 0.00 C ATOM 638 OG1 THR A 45 -11.170 4.395 3.218 1.00 0.00 O ATOM 639 CG2 THR A 45 -11.029 5.678 1.177 1.00 0.00 C ATOM 0 H THR A 45 -8.383 3.693 3.539 1.00 0.00 H new ATOM 0 HA THR A 45 -9.965 3.151 1.145 1.00 0.00 H new ATOM 0 HB THR A 45 -9.622 5.696 2.782 1.00 0.00 H new ATOM 0 HG1 THR A 45 -11.710 3.708 2.774 1.00 0.00 H new ATOM 0 HG21 THR A 45 -11.661 6.449 1.618 1.00 0.00 H new ATOM 0 HG22 THR A 45 -10.330 6.138 0.479 1.00 0.00 H new ATOM 0 HG23 THR A 45 -11.651 4.958 0.646 1.00 0.00 H new ATOM 647 N VAL A 46 -8.227 3.923 -0.462 1.00 0.00 N ATOM 648 CA VAL A 46 -7.311 4.437 -1.473 1.00 0.00 C ATOM 649 C VAL A 46 -8.068 4.922 -2.704 1.00 0.00 C ATOM 650 O VAL A 46 -9.132 4.399 -3.036 1.00 0.00 O ATOM 651 CB VAL A 46 -6.290 3.366 -1.901 1.00 0.00 C ATOM 652 CG1 VAL A 46 -5.444 2.930 -0.714 1.00 0.00 C ATOM 653 CG2 VAL A 46 -6.998 2.175 -2.528 1.00 0.00 C ATOM 0 H VAL A 46 -8.746 3.092 -0.746 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.780 5.276 -1.023 1.00 0.00 H new ATOM 0 HB VAL A 46 -5.627 3.800 -2.649 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -4.729 2.173 -1.036 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -4.907 3.790 -0.314 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -6.089 2.514 0.059 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -6.261 1.428 -2.824 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.686 1.738 -1.804 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -7.555 2.503 -3.406 1.00 0.00 H new ATOM 663 N GLU A 47 -7.512 5.924 -3.377 1.00 0.00 N ATOM 664 CA GLU A 47 -8.136 6.480 -4.572 1.00 0.00 C ATOM 665 C GLU A 47 -7.354 6.093 -5.824 1.00 0.00 C ATOM 666 O GLU A 47 -6.127 6.005 -5.800 1.00 0.00 O ATOM 667 CB GLU A 47 -8.227 8.004 -4.465 1.00 0.00 C ATOM 668 CG GLU A 47 -9.380 8.602 -5.253 1.00 0.00 C ATOM 669 CD GLU A 47 -9.214 10.090 -5.493 1.00 0.00 C ATOM 670 OE1 GLU A 47 -9.617 10.881 -4.614 1.00 0.00 O ATOM 671 OE2 GLU A 47 -8.681 10.464 -6.558 1.00 0.00 O ATOM 0 H GLU A 47 -6.631 6.367 -3.116 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.142 6.068 -4.651 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.333 8.280 -3.416 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -7.292 8.441 -4.817 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -9.464 8.090 -6.212 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.312 8.426 -4.716 1.00 0.00 H new ATOM 678 N ARG A 48 -8.075 5.863 -6.917 1.00 0.00 N ATOM 679 CA ARG A 48 -7.450 5.483 -8.178 1.00 0.00 C ATOM 680 C ARG A 48 -8.226 6.053 -9.362 1.00 0.00 C ATOM 681 O ARG A 48 -9.312 5.579 -9.691 1.00 0.00 O ATOM 682 CB ARG A 48 -7.369 3.960 -8.294 1.00 0.00 C ATOM 683 CG ARG A 48 -6.322 3.479 -9.285 1.00 0.00 C ATOM 684 CD ARG A 48 -5.884 2.054 -8.985 1.00 0.00 C ATOM 685 NE ARG A 48 -6.795 1.069 -9.560 1.00 0.00 N ATOM 686 CZ ARG A 48 -6.914 0.852 -10.865 1.00 0.00 C ATOM 687 NH1 ARG A 48 -6.184 1.549 -11.726 1.00 0.00 N ATOM 688 NH2 ARG A 48 -7.765 -0.062 -11.312 1.00 0.00 N ATOM 0 H ARG A 48 -9.092 5.933 -6.954 1.00 0.00 H new ATOM 0 HA ARG A 48 -6.441 5.895 -8.193 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -7.148 3.541 -7.313 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -8.344 3.575 -8.593 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.725 3.532 -10.296 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -5.457 4.141 -9.252 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -4.880 1.893 -9.379 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -5.830 1.911 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.372 0.517 -8.925 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -5.529 2.254 -11.386 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -6.277 1.380 -12.728 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.329 -0.599 -10.653 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -7.855 -0.228 -12.314 1.00 0.00 H new ATOM 702 N ASN A 49 -7.659 7.074 -9.998 1.00 0.00 N ATOM 703 CA ASN A 49 -8.298 7.709 -11.145 1.00 0.00 C ATOM 704 C ASN A 49 -9.627 8.343 -10.745 1.00 0.00 C ATOM 705 O ASN A 49 -10.586 8.338 -11.516 1.00 0.00 O ATOM 706 CB ASN A 49 -8.523 6.687 -12.261 1.00 0.00 C ATOM 707 CG ASN A 49 -8.745 7.344 -13.610 1.00 0.00 C ATOM 708 OD1 ASN A 49 -8.077 8.318 -13.956 1.00 0.00 O ATOM 709 ND2 ASN A 49 -9.689 6.812 -14.378 1.00 0.00 N ATOM 0 H ASN A 49 -6.759 7.479 -9.739 1.00 0.00 H new ATOM 0 HA ASN A 49 -7.636 8.494 -11.509 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -7.661 6.023 -12.321 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -9.386 6.068 -12.015 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -9.885 7.211 -15.296 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -10.218 6.004 -14.050 1.00 0.00 H new ATOM 716 N GLY A 50 -9.676 8.889 -9.534 1.00 0.00 N ATOM 717 CA GLY A 50 -10.891 9.520 -9.053 1.00 0.00 C ATOM 718 C GLY A 50 -11.813 8.542 -8.351 1.00 0.00 C ATOM 719 O GLY A 50 -12.582 8.928 -7.471 1.00 0.00 O ATOM 0 H GLY A 50 -8.896 8.906 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -10.631 10.326 -8.367 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -11.418 9.973 -9.892 1.00 0.00 H new ATOM 723 N GLN A 51 -11.736 7.274 -8.741 1.00 0.00 N ATOM 724 CA GLN A 51 -12.572 6.239 -8.144 1.00 0.00 C ATOM 725 C GLN A 51 -12.050 5.846 -6.766 1.00 0.00 C ATOM 726 O GLN A 51 -10.842 5.741 -6.555 1.00 0.00 O ATOM 727 CB GLN A 51 -12.625 5.010 -9.052 1.00 0.00 C ATOM 728 CG GLN A 51 -13.676 5.106 -10.146 1.00 0.00 C ATOM 729 CD GLN A 51 -15.085 5.198 -9.595 1.00 0.00 C ATOM 730 OE1 GLN A 51 -15.293 5.166 -8.381 1.00 0.00 O ATOM 731 NE2 GLN A 51 -16.064 5.312 -10.485 1.00 0.00 N ATOM 0 H GLN A 51 -11.104 6.939 -9.468 1.00 0.00 H new ATOM 0 HA GLN A 51 -13.579 6.641 -8.030 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -11.647 4.865 -9.511 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -12.825 4.128 -8.444 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -13.473 5.981 -10.763 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -13.600 4.234 -10.795 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -15.847 5.335 -11.481 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -17.033 5.377 -10.172 1.00 0.00 H new ATOM 740 N ARG A 52 -12.969 5.630 -5.830 1.00 0.00 N ATOM 741 CA ARG A 52 -12.602 5.250 -4.472 1.00 0.00 C ATOM 742 C ARG A 52 -12.943 3.786 -4.206 1.00 0.00 C ATOM 743 O ARG A 52 -13.982 3.292 -4.640 1.00 0.00 O ATOM 744 CB ARG A 52 -13.318 6.144 -3.458 1.00 0.00 C ATOM 745 CG ARG A 52 -12.631 6.199 -2.103 1.00 0.00 C ATOM 746 CD ARG A 52 -13.505 6.882 -1.063 1.00 0.00 C ATOM 747 NE ARG A 52 -14.600 6.023 -0.620 1.00 0.00 N ATOM 748 CZ ARG A 52 -15.268 6.209 0.514 1.00 0.00 C ATOM 749 NH1 ARG A 52 -14.954 7.219 1.314 1.00 0.00 N ATOM 750 NH2 ARG A 52 -16.252 5.385 0.848 1.00 0.00 N ATOM 0 H ARG A 52 -13.973 5.712 -5.988 1.00 0.00 H new ATOM 0 HA ARG A 52 -11.525 5.380 -4.364 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -13.387 7.154 -3.862 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -14.338 5.783 -3.325 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -12.394 5.188 -1.773 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -11.686 6.735 -2.194 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -12.895 7.163 -0.205 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -13.912 7.803 -1.480 1.00 0.00 H new ATOM 0 HE ARG A 52 -14.867 5.237 -1.213 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -14.198 7.855 1.060 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -15.468 7.360 2.184 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -16.497 4.608 0.234 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -16.764 5.528 1.718 1.00 0.00 H new ATOM 764 N GLY A 53 -12.058 3.099 -3.489 1.00 0.00 N ATOM 765 CA GLY A 53 -12.283 1.699 -3.178 1.00 0.00 C ATOM 766 C GLY A 53 -11.690 1.300 -1.842 1.00 0.00 C ATOM 767 O GLY A 53 -11.037 2.105 -1.178 1.00 0.00 O ATOM 0 H GLY A 53 -11.190 3.487 -3.118 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -13.355 1.499 -3.171 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -11.849 1.081 -3.964 1.00 0.00 H new ATOM 771 N PHE A 54 -11.919 0.052 -1.444 1.00 0.00 N ATOM 772 CA PHE A 54 -11.405 -0.452 -0.176 1.00 0.00 C ATOM 773 C PHE A 54 -10.508 -1.667 -0.397 1.00 0.00 C ATOM 774 O PHE A 54 -10.934 -2.671 -0.968 1.00 0.00 O ATOM 775 CB PHE A 54 -12.560 -0.820 0.757 1.00 0.00 C ATOM 776 CG PHE A 54 -13.276 0.372 1.325 1.00 0.00 C ATOM 777 CD1 PHE A 54 -12.692 1.135 2.324 1.00 0.00 C ATOM 778 CD2 PHE A 54 -14.531 0.730 0.860 1.00 0.00 C ATOM 779 CE1 PHE A 54 -13.349 2.233 2.848 1.00 0.00 C ATOM 780 CE2 PHE A 54 -15.192 1.826 1.381 1.00 0.00 C ATOM 781 CZ PHE A 54 -14.599 2.579 2.376 1.00 0.00 C ATOM 0 H PHE A 54 -12.457 -0.628 -1.981 1.00 0.00 H new ATOM 0 HA PHE A 54 -10.811 0.337 0.286 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -13.274 -1.437 0.212 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -12.175 -1.427 1.577 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -11.714 0.869 2.697 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -14.998 0.146 0.081 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -12.884 2.820 3.626 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -16.171 2.094 1.011 1.00 0.00 H new ATOM 0 HZ PHE A 54 -15.113 3.437 2.784 1.00 0.00 H new ATOM 791 N VAL A 55 -9.263 -1.567 0.059 1.00 0.00 N ATOM 792 CA VAL A 55 -8.306 -2.656 -0.088 1.00 0.00 C ATOM 793 C VAL A 55 -7.454 -2.812 1.166 1.00 0.00 C ATOM 794 O VAL A 55 -7.204 -1.855 1.900 1.00 0.00 O ATOM 795 CB VAL A 55 -7.381 -2.431 -1.299 1.00 0.00 C ATOM 796 CG1 VAL A 55 -8.197 -2.278 -2.573 1.00 0.00 C ATOM 797 CG2 VAL A 55 -6.496 -1.214 -1.073 1.00 0.00 C ATOM 0 H VAL A 55 -8.894 -0.743 0.533 1.00 0.00 H new ATOM 0 HA VAL A 55 -8.885 -3.566 -0.246 1.00 0.00 H new ATOM 0 HB VAL A 55 -6.738 -3.304 -1.411 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -7.527 -2.120 -3.418 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -8.784 -3.181 -2.740 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.866 -1.423 -2.476 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.849 -1.069 -1.938 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -7.120 -0.331 -0.935 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -5.885 -1.369 -0.184 1.00 0.00 H new ATOM 807 N PRO A 56 -6.995 -4.046 1.421 1.00 0.00 N ATOM 808 CA PRO A 56 -6.163 -4.357 2.587 1.00 0.00 C ATOM 809 C PRO A 56 -4.766 -3.755 2.479 1.00 0.00 C ATOM 810 O PRO A 56 -4.105 -3.876 1.448 1.00 0.00 O ATOM 811 CB PRO A 56 -6.088 -5.886 2.572 1.00 0.00 C ATOM 812 CG PRO A 56 -6.309 -6.262 1.148 1.00 0.00 C ATOM 813 CD PRO A 56 -7.254 -5.234 0.589 1.00 0.00 C ATOM 0 HA PRO A 56 -6.580 -3.946 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -5.120 -6.238 2.929 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -6.846 -6.326 3.220 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -5.369 -6.269 0.596 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -6.732 -7.264 1.070 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -7.057 -5.038 -0.465 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -8.292 -5.559 0.664 1.00 0.00 H new ATOM 821 N GLY A 57 -4.322 -3.105 3.551 1.00 0.00 N ATOM 822 CA GLY A 57 -3.006 -2.494 3.555 1.00 0.00 C ATOM 823 C GLY A 57 -1.919 -3.455 3.118 1.00 0.00 C ATOM 824 O GLY A 57 -1.038 -3.093 2.338 1.00 0.00 O ATOM 0 H GLY A 57 -4.850 -2.991 4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -3.009 -1.628 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.782 -2.128 4.557 1.00 0.00 H new ATOM 828 N SER A 58 -1.979 -4.683 3.623 1.00 0.00 N ATOM 829 CA SER A 58 -0.988 -5.698 3.284 1.00 0.00 C ATOM 830 C SER A 58 -0.682 -5.681 1.790 1.00 0.00 C ATOM 831 O SER A 58 0.412 -6.053 1.364 1.00 0.00 O ATOM 832 CB SER A 58 -1.485 -7.084 3.698 1.00 0.00 C ATOM 833 OG SER A 58 -1.450 -7.239 5.106 1.00 0.00 O ATOM 0 H SER A 58 -2.703 -4.999 4.268 1.00 0.00 H new ATOM 0 HA SER A 58 -0.071 -5.471 3.828 1.00 0.00 H new ATOM 0 HB2 SER A 58 -2.503 -7.231 3.338 1.00 0.00 H new ATOM 0 HB3 SER A 58 -0.867 -7.850 3.229 1.00 0.00 H new ATOM 0 HG SER A 58 -1.774 -8.132 5.345 1.00 0.00 H new ATOM 839 N TYR A 59 -1.656 -5.246 0.998 1.00 0.00 N ATOM 840 CA TYR A 59 -1.493 -5.182 -0.450 1.00 0.00 C ATOM 841 C TYR A 59 -1.079 -3.781 -0.890 1.00 0.00 C ATOM 842 O TYR A 59 -1.412 -3.339 -1.990 1.00 0.00 O ATOM 843 CB TYR A 59 -2.792 -5.585 -1.149 1.00 0.00 C ATOM 844 CG TYR A 59 -3.080 -7.068 -1.083 1.00 0.00 C ATOM 845 CD1 TYR A 59 -3.234 -7.712 0.138 1.00 0.00 C ATOM 846 CD2 TYR A 59 -3.200 -7.824 -2.242 1.00 0.00 C ATOM 847 CE1 TYR A 59 -3.496 -9.067 0.203 1.00 0.00 C ATOM 848 CE2 TYR A 59 -3.464 -9.179 -2.187 1.00 0.00 C ATOM 849 CZ TYR A 59 -3.611 -9.796 -0.962 1.00 0.00 C ATOM 850 OH TYR A 59 -3.874 -11.145 -0.902 1.00 0.00 O ATOM 0 H TYR A 59 -2.567 -4.933 1.334 1.00 0.00 H new ATOM 0 HA TYR A 59 -0.705 -5.880 -0.733 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -3.622 -5.042 -0.697 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -2.742 -5.279 -2.194 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -3.147 -7.144 1.052 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -3.085 -7.344 -3.203 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -3.610 -9.553 1.161 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -3.555 -9.752 -3.098 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.925 -11.509 -1.810 1.00 0.00 H new ATOM 860 N LEU A 60 -0.349 -3.087 -0.023 1.00 0.00 N ATOM 861 CA LEU A 60 0.112 -1.735 -0.320 1.00 0.00 C ATOM 862 C LEU A 60 1.537 -1.524 0.182 1.00 0.00 C ATOM 863 O LEU A 60 2.025 -2.275 1.026 1.00 0.00 O ATOM 864 CB LEU A 60 -0.823 -0.705 0.314 1.00 0.00 C ATOM 865 CG LEU A 60 -2.215 -0.589 -0.308 1.00 0.00 C ATOM 866 CD1 LEU A 60 -3.097 0.328 0.524 1.00 0.00 C ATOM 867 CD2 LEU A 60 -2.119 -0.084 -1.740 1.00 0.00 C ATOM 0 H LEU A 60 -0.064 -3.438 0.891 1.00 0.00 H new ATOM 0 HA LEU A 60 0.105 -1.604 -1.402 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -0.938 -0.950 1.370 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -0.342 0.272 0.264 1.00 0.00 H new ATOM 0 HG LEU A 60 -2.669 -1.580 -0.323 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -4.083 0.398 0.066 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -3.193 -0.076 1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.648 1.320 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.119 -0.008 -2.167 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -1.645 0.897 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -1.524 -0.780 -2.332 1.00 0.00 H new ATOM 879 N GLU A 61 2.196 -0.494 -0.340 1.00 0.00 N ATOM 880 CA GLU A 61 3.564 -0.184 0.057 1.00 0.00 C ATOM 881 C GLU A 61 3.825 1.318 -0.018 1.00 0.00 C ATOM 882 O GLU A 61 3.624 1.944 -1.059 1.00 0.00 O ATOM 883 CB GLU A 61 4.560 -0.930 -0.833 1.00 0.00 C ATOM 884 CG GLU A 61 6.005 -0.519 -0.607 1.00 0.00 C ATOM 885 CD GLU A 61 6.885 -0.796 -1.811 1.00 0.00 C ATOM 886 OE1 GLU A 61 6.390 -0.669 -2.950 1.00 0.00 O ATOM 887 OE2 GLU A 61 8.070 -1.138 -1.613 1.00 0.00 O ATOM 0 H GLU A 61 1.805 0.139 -1.038 1.00 0.00 H new ATOM 0 HA GLU A 61 3.697 -0.508 1.089 1.00 0.00 H new ATOM 0 HB2 GLU A 61 4.463 -2.001 -0.654 1.00 0.00 H new ATOM 0 HB3 GLU A 61 4.301 -0.757 -1.878 1.00 0.00 H new ATOM 0 HG2 GLU A 61 6.044 0.544 -0.370 1.00 0.00 H new ATOM 0 HG3 GLU A 61 6.400 -1.053 0.258 1.00 0.00 H new ATOM 894 N LYS A 62 4.273 1.891 1.094 1.00 0.00 N ATOM 895 CA LYS A 62 4.563 3.319 1.156 1.00 0.00 C ATOM 896 C LYS A 62 5.915 3.628 0.522 1.00 0.00 C ATOM 897 O LYS A 62 6.943 3.090 0.934 1.00 0.00 O ATOM 898 CB LYS A 62 4.547 3.800 2.609 1.00 0.00 C ATOM 899 CG LYS A 62 4.152 5.259 2.762 1.00 0.00 C ATOM 900 CD LYS A 62 5.364 6.174 2.707 1.00 0.00 C ATOM 901 CE LYS A 62 5.954 6.401 4.090 1.00 0.00 C ATOM 902 NZ LYS A 62 6.635 5.183 4.610 1.00 0.00 N ATOM 0 H LYS A 62 4.443 1.388 1.965 1.00 0.00 H new ATOM 0 HA LYS A 62 3.791 3.846 0.596 1.00 0.00 H new ATOM 0 HB2 LYS A 62 3.853 3.183 3.180 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.536 3.653 3.043 1.00 0.00 H new ATOM 0 HG2 LYS A 62 3.453 5.532 1.972 1.00 0.00 H new ATOM 0 HG3 LYS A 62 3.632 5.399 3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 62 6.121 5.738 2.054 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.079 7.131 2.270 1.00 0.00 H new ATOM 0 HE2 LYS A 62 6.666 7.226 4.050 1.00 0.00 H new ATOM 0 HE3 LYS A 62 5.162 6.696 4.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 7.259 5.445 5.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 5.923 4.502 4.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.199 4.750 3.851 1.00 0.00 H new ATOM 916 N LEU A 63 5.907 4.498 -0.482 1.00 0.00 N ATOM 917 CA LEU A 63 7.134 4.881 -1.173 1.00 0.00 C ATOM 918 C LEU A 63 7.771 6.101 -0.516 1.00 0.00 C ATOM 919 O LEU A 63 7.088 7.073 -0.195 1.00 0.00 O ATOM 920 CB LEU A 63 6.843 5.174 -2.646 1.00 0.00 C ATOM 921 CG LEU A 63 6.083 4.089 -3.409 1.00 0.00 C ATOM 922 CD1 LEU A 63 5.662 4.596 -4.780 1.00 0.00 C ATOM 923 CD2 LEU A 63 6.934 2.835 -3.541 1.00 0.00 C ATOM 0 H LEU A 63 5.065 4.952 -0.836 1.00 0.00 H new ATOM 0 HA LEU A 63 7.834 4.048 -1.106 1.00 0.00 H new ATOM 0 HB2 LEU A 63 6.271 6.100 -2.705 1.00 0.00 H new ATOM 0 HB3 LEU A 63 7.791 5.351 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 63 5.185 3.837 -2.846 1.00 0.00 H new ATOM 0 HD11 LEU A 63 5.122 3.810 -5.309 1.00 0.00 H new ATOM 0 HD12 LEU A 63 5.015 5.465 -4.663 1.00 0.00 H new ATOM 0 HD13 LEU A 63 6.547 4.876 -5.352 1.00 0.00 H new ATOM 0 HD21 LEU A 63 6.377 2.073 -4.087 1.00 0.00 H new ATOM 0 HD22 LEU A 63 7.850 3.072 -4.082 1.00 0.00 H new ATOM 0 HD23 LEU A 63 7.185 2.460 -2.549 1.00 0.00 H new