USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 506 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 14 SER OG : rot 180:sc= -0.955 USER MOD Set 1.2: A 25 GLN : amide:sc= 0 K(o=-0.95,f=-2.1!) USER MOD Single : A 11 CYS SG : rot -166:sc= -6.97! USER MOD Single : A 17 CYS SG : rot 180:sc= -0.144 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.1!) USER MOD Single : A 32 SER OG : rot 180:sc= -0.498 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.159 X(o=-0.16,f=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 CYS SG : rot 180:sc= -0.523 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 101 N ASP A 7 90.527 -4.031 -9.795 1.00 0.00 N ATOM 102 CA ASP A 7 91.008 -4.646 -8.516 1.00 0.00 C ATOM 103 C ASP A 7 90.100 -4.233 -7.354 1.00 0.00 C ATOM 104 O ASP A 7 89.911 -4.985 -6.414 1.00 0.00 O ATOM 105 CB ASP A 7 92.430 -4.112 -8.308 1.00 0.00 C ATOM 106 CG ASP A 7 93.342 -4.600 -9.440 1.00 0.00 C ATOM 107 OD1 ASP A 7 93.079 -5.665 -9.977 1.00 0.00 O ATOM 108 OD2 ASP A 7 94.289 -3.898 -9.752 1.00 0.00 O ATOM 0 HA ASP A 7 90.994 -5.735 -8.559 1.00 0.00 H new ATOM 0 HB2 ASP A 7 92.418 -3.022 -8.283 1.00 0.00 H new ATOM 0 HB3 ASP A 7 92.817 -4.449 -7.346 1.00 0.00 H new ATOM 113 N TRP A 8 89.539 -3.047 -7.409 1.00 0.00 N ATOM 114 CA TRP A 8 88.649 -2.584 -6.301 1.00 0.00 C ATOM 115 C TRP A 8 87.258 -3.223 -6.396 1.00 0.00 C ATOM 116 O TRP A 8 86.495 -3.168 -5.455 1.00 0.00 O ATOM 117 CB TRP A 8 88.545 -1.066 -6.440 1.00 0.00 C ATOM 118 CG TRP A 8 89.596 -0.318 -5.679 1.00 0.00 C ATOM 119 CD1 TRP A 8 90.250 0.774 -6.143 1.00 0.00 C ATOM 120 CD2 TRP A 8 90.125 -0.578 -4.340 1.00 0.00 C ATOM 121 NE1 TRP A 8 91.152 1.210 -5.186 1.00 0.00 N ATOM 122 CE2 TRP A 8 91.129 0.421 -4.058 1.00 0.00 C ATOM 123 CE3 TRP A 8 89.852 -1.574 -3.330 1.00 0.00 C ATOM 124 CZ2 TRP A 8 91.843 0.437 -2.822 1.00 0.00 C ATOM 125 CZ3 TRP A 8 90.569 -1.562 -2.084 1.00 0.00 C ATOM 126 CH2 TRP A 8 91.564 -0.559 -1.833 1.00 0.00 C ATOM 0 H TRP A 8 89.660 -2.382 -8.173 1.00 0.00 H new ATOM 0 HA TRP A 8 89.060 -2.873 -5.334 1.00 0.00 H new ATOM 0 HB2 TRP A 8 88.615 -0.801 -7.495 1.00 0.00 H new ATOM 0 HB3 TRP A 8 87.562 -0.745 -6.095 1.00 0.00 H new ATOM 0 HD1 TRP A 8 90.093 1.233 -7.108 1.00 0.00 H new ATOM 0 HE1 TRP A 8 91.761 2.020 -5.303 1.00 0.00 H new ATOM 0 HE3 TRP A 8 89.105 -2.332 -3.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 92.589 1.196 -2.635 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 90.358 -2.310 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 8 92.103 -0.556 -0.897 1.00 0.00 H new ATOM 137 N ILE A 9 86.913 -3.834 -7.509 1.00 0.00 N ATOM 138 CA ILE A 9 85.499 -4.307 -7.698 1.00 0.00 C ATOM 139 C ILE A 9 85.098 -5.253 -6.553 1.00 0.00 C ATOM 140 O ILE A 9 85.831 -6.155 -6.192 1.00 0.00 O ATOM 141 CB ILE A 9 85.477 -5.038 -9.054 1.00 0.00 C ATOM 142 CG1 ILE A 9 85.880 -4.078 -10.192 1.00 0.00 C ATOM 143 CG2 ILE A 9 84.070 -5.580 -9.332 1.00 0.00 C ATOM 144 CD1 ILE A 9 84.937 -2.867 -10.237 1.00 0.00 C ATOM 0 H ILE A 9 87.543 -4.024 -8.288 1.00 0.00 H new ATOM 0 HA ILE A 9 84.789 -3.480 -7.687 1.00 0.00 H new ATOM 0 HB ILE A 9 86.189 -5.862 -9.011 1.00 0.00 H new ATOM 0 HG12 ILE A 9 86.906 -3.741 -10.045 1.00 0.00 H new ATOM 0 HG13 ILE A 9 85.851 -4.604 -11.146 1.00 0.00 H new ATOM 0 HG21 ILE A 9 84.062 -6.096 -10.292 1.00 0.00 H new ATOM 0 HG22 ILE A 9 83.786 -6.277 -8.543 1.00 0.00 H new ATOM 0 HG23 ILE A 9 83.360 -4.753 -9.358 1.00 0.00 H new ATOM 0 HD11 ILE A 9 85.238 -2.202 -11.046 1.00 0.00 H new ATOM 0 HD12 ILE A 9 83.916 -3.207 -10.408 1.00 0.00 H new ATOM 0 HD13 ILE A 9 84.987 -2.331 -9.289 1.00 0.00 H new ATOM 156 N GLY A 10 83.936 -5.041 -5.990 1.00 0.00 N ATOM 157 CA GLY A 10 83.474 -5.881 -4.846 1.00 0.00 C ATOM 158 C GLY A 10 84.016 -5.368 -3.500 1.00 0.00 C ATOM 159 O GLY A 10 83.717 -5.943 -2.467 1.00 0.00 O ATOM 0 H GLY A 10 83.281 -4.314 -6.278 1.00 0.00 H new ATOM 0 HA2 GLY A 10 82.384 -5.889 -4.819 1.00 0.00 H new ATOM 0 HA3 GLY A 10 83.797 -6.911 -4.998 1.00 0.00 H new ATOM 163 N CYS A 11 84.803 -4.304 -3.484 1.00 0.00 N ATOM 164 CA CYS A 11 85.304 -3.771 -2.169 1.00 0.00 C ATOM 165 C CYS A 11 84.253 -2.846 -1.527 1.00 0.00 C ATOM 166 O CYS A 11 83.427 -2.273 -2.210 1.00 0.00 O ATOM 167 CB CYS A 11 86.649 -3.053 -2.472 1.00 0.00 C ATOM 168 SG CYS A 11 86.427 -1.386 -3.176 1.00 0.00 S ATOM 0 H CYS A 11 85.113 -3.793 -4.310 1.00 0.00 H new ATOM 0 HA CYS A 11 85.472 -4.563 -1.440 1.00 0.00 H new ATOM 0 HB2 CYS A 11 87.229 -2.978 -1.552 1.00 0.00 H new ATOM 0 HB3 CYS A 11 87.230 -3.660 -3.167 1.00 0.00 H new ATOM 0 HG CYS A 11 87.553 -0.973 -3.676 1.00 0.00 H new ATOM 174 N ALA A 12 84.288 -2.704 -0.224 1.00 0.00 N ATOM 175 CA ALA A 12 83.257 -1.879 0.478 1.00 0.00 C ATOM 176 C ALA A 12 83.730 -0.428 0.595 1.00 0.00 C ATOM 177 O ALA A 12 84.755 -0.156 1.193 1.00 0.00 O ATOM 178 CB ALA A 12 83.131 -2.510 1.865 1.00 0.00 C ATOM 0 H ALA A 12 84.989 -3.126 0.385 1.00 0.00 H new ATOM 0 HA ALA A 12 82.307 -1.862 -0.055 1.00 0.00 H new ATOM 0 HB1 ALA A 12 82.391 -1.962 2.448 1.00 0.00 H new ATOM 0 HB2 ALA A 12 82.817 -3.549 1.765 1.00 0.00 H new ATOM 0 HB3 ALA A 12 84.095 -2.469 2.372 1.00 0.00 H new ATOM 184 N VAL A 13 82.993 0.501 0.032 1.00 0.00 N ATOM 185 CA VAL A 13 83.411 1.937 0.094 1.00 0.00 C ATOM 186 C VAL A 13 82.218 2.832 0.442 1.00 0.00 C ATOM 187 O VAL A 13 81.073 2.458 0.253 1.00 0.00 O ATOM 188 CB VAL A 13 83.953 2.265 -1.304 1.00 0.00 C ATOM 189 CG1 VAL A 13 85.148 1.364 -1.612 1.00 0.00 C ATOM 190 CG2 VAL A 13 82.864 2.033 -2.359 1.00 0.00 C ATOM 0 H VAL A 13 82.121 0.326 -0.467 1.00 0.00 H new ATOM 0 HA VAL A 13 84.161 2.109 0.866 1.00 0.00 H new ATOM 0 HB VAL A 13 84.261 3.310 -1.328 1.00 0.00 H new ATOM 0 HG11 VAL A 13 85.533 1.597 -2.605 1.00 0.00 H new ATOM 0 HG12 VAL A 13 85.930 1.531 -0.871 1.00 0.00 H new ATOM 0 HG13 VAL A 13 84.835 0.320 -1.580 1.00 0.00 H new ATOM 0 HG21 VAL A 13 83.259 2.269 -3.347 1.00 0.00 H new ATOM 0 HG22 VAL A 13 82.549 0.990 -2.333 1.00 0.00 H new ATOM 0 HG23 VAL A 13 82.009 2.675 -2.147 1.00 0.00 H new ATOM 200 N SER A 14 82.485 4.012 0.949 1.00 0.00 N ATOM 201 CA SER A 14 81.388 4.981 1.231 1.00 0.00 C ATOM 202 C SER A 14 81.629 6.264 0.439 1.00 0.00 C ATOM 203 O SER A 14 82.754 6.710 0.308 1.00 0.00 O ATOM 204 CB SER A 14 81.464 5.247 2.733 1.00 0.00 C ATOM 205 OG SER A 14 80.533 6.266 3.079 1.00 0.00 O ATOM 0 H SER A 14 83.422 4.344 1.179 1.00 0.00 H new ATOM 0 HA SER A 14 80.407 4.602 0.944 1.00 0.00 H new ATOM 0 HB2 SER A 14 81.244 4.334 3.287 1.00 0.00 H new ATOM 0 HB3 SER A 14 82.473 5.552 3.009 1.00 0.00 H new ATOM 0 HG SER A 14 80.579 6.437 4.043 1.00 0.00 H new ATOM 211 N ILE A 15 80.585 6.855 -0.086 1.00 0.00 N ATOM 212 CA ILE A 15 80.767 8.026 -0.995 1.00 0.00 C ATOM 213 C ILE A 15 80.012 9.234 -0.448 1.00 0.00 C ATOM 214 O ILE A 15 78.813 9.181 -0.238 1.00 0.00 O ATOM 215 CB ILE A 15 80.179 7.609 -2.359 1.00 0.00 C ATOM 216 CG1 ILE A 15 80.711 6.226 -2.814 1.00 0.00 C ATOM 217 CG2 ILE A 15 80.557 8.661 -3.407 1.00 0.00 C ATOM 218 CD1 ILE A 15 82.243 6.186 -2.781 1.00 0.00 C ATOM 0 H ILE A 15 79.617 6.577 0.076 1.00 0.00 H new ATOM 0 HA ILE A 15 81.818 8.303 -1.082 1.00 0.00 H new ATOM 0 HB ILE A 15 79.096 7.537 -2.255 1.00 0.00 H new ATOM 0 HG12 ILE A 15 80.310 5.447 -2.165 1.00 0.00 H new ATOM 0 HG13 ILE A 15 80.360 6.012 -3.824 1.00 0.00 H new ATOM 0 HG21 ILE A 15 80.146 8.375 -4.375 1.00 0.00 H new ATOM 0 HG22 ILE A 15 80.152 9.629 -3.113 1.00 0.00 H new ATOM 0 HG23 ILE A 15 81.642 8.728 -3.480 1.00 0.00 H new ATOM 0 HD11 ILE A 15 82.588 5.204 -3.105 1.00 0.00 H new ATOM 0 HD12 ILE A 15 82.641 6.950 -3.449 1.00 0.00 H new ATOM 0 HD13 ILE A 15 82.590 6.376 -1.765 1.00 0.00 H new ATOM 230 N ALA A 16 80.707 10.318 -0.220 1.00 0.00 N ATOM 231 CA ALA A 16 80.033 11.572 0.220 1.00 0.00 C ATOM 232 C ALA A 16 79.827 12.488 -0.985 1.00 0.00 C ATOM 233 O ALA A 16 80.771 13.028 -1.530 1.00 0.00 O ATOM 234 CB ALA A 16 80.992 12.209 1.226 1.00 0.00 C ATOM 0 H ALA A 16 81.720 10.387 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 16 79.053 11.391 0.662 1.00 0.00 H new ATOM 0 HB1 ALA A 16 80.564 13.141 1.597 1.00 0.00 H new ATOM 0 HB2 ALA A 16 81.151 11.526 2.060 1.00 0.00 H new ATOM 0 HB3 ALA A 16 81.945 12.416 0.739 1.00 0.00 H new ATOM 240 N CYS A 17 78.600 12.657 -1.402 1.00 0.00 N ATOM 241 CA CYS A 17 78.301 13.561 -2.554 1.00 0.00 C ATOM 242 C CYS A 17 77.935 14.948 -2.028 1.00 0.00 C ATOM 243 O CYS A 17 77.685 15.121 -0.848 1.00 0.00 O ATOM 244 CB CYS A 17 77.107 12.933 -3.286 1.00 0.00 C ATOM 245 SG CYS A 17 77.499 11.239 -3.807 1.00 0.00 S ATOM 0 H CYS A 17 77.784 12.204 -0.991 1.00 0.00 H new ATOM 0 HA CYS A 17 79.156 13.672 -3.221 1.00 0.00 H new ATOM 0 HB2 CYS A 17 76.235 12.926 -2.632 1.00 0.00 H new ATOM 0 HB3 CYS A 17 76.848 13.536 -4.156 1.00 0.00 H new ATOM 0 HG CYS A 17 76.475 10.726 -4.422 1.00 0.00 H new ATOM 251 N ASP A 18 77.900 15.938 -2.888 1.00 0.00 N ATOM 252 CA ASP A 18 77.606 17.335 -2.424 1.00 0.00 C ATOM 253 C ASP A 18 76.229 17.379 -1.742 1.00 0.00 C ATOM 254 O ASP A 18 75.457 16.444 -1.825 1.00 0.00 O ATOM 255 CB ASP A 18 77.624 18.206 -3.683 1.00 0.00 C ATOM 256 CG ASP A 18 77.745 19.684 -3.295 1.00 0.00 C ATOM 257 OD1 ASP A 18 78.348 19.964 -2.271 1.00 0.00 O ATOM 258 OD2 ASP A 18 77.230 20.511 -4.029 1.00 0.00 O ATOM 0 H ASP A 18 78.062 15.841 -3.890 1.00 0.00 H new ATOM 0 HA ASP A 18 78.335 17.688 -1.695 1.00 0.00 H new ATOM 0 HB2 ASP A 18 78.459 17.919 -4.322 1.00 0.00 H new ATOM 0 HB3 ASP A 18 76.713 18.046 -4.259 1.00 0.00 H new ATOM 263 N GLU A 19 75.925 18.462 -1.070 1.00 0.00 N ATOM 264 CA GLU A 19 74.763 18.474 -0.119 1.00 0.00 C ATOM 265 C GLU A 19 73.463 18.002 -0.790 1.00 0.00 C ATOM 266 O GLU A 19 72.624 17.389 -0.152 1.00 0.00 O ATOM 267 CB GLU A 19 74.633 19.935 0.340 1.00 0.00 C ATOM 268 CG GLU A 19 74.362 20.845 -0.866 1.00 0.00 C ATOM 269 CD GLU A 19 74.355 22.315 -0.425 1.00 0.00 C ATOM 270 OE1 GLU A 19 74.073 22.572 0.735 1.00 0.00 O ATOM 271 OE2 GLU A 19 74.632 23.160 -1.260 1.00 0.00 O ATOM 0 H GLU A 19 76.433 19.344 -1.138 1.00 0.00 H new ATOM 0 HA GLU A 19 74.932 17.789 0.712 1.00 0.00 H new ATOM 0 HB2 GLU A 19 73.823 20.026 1.063 1.00 0.00 H new ATOM 0 HB3 GLU A 19 75.547 20.249 0.844 1.00 0.00 H new ATOM 0 HG2 GLU A 19 75.126 20.689 -1.628 1.00 0.00 H new ATOM 0 HG3 GLU A 19 73.404 20.588 -1.318 1.00 0.00 H new ATOM 278 N VAL A 20 73.292 18.280 -2.060 1.00 0.00 N ATOM 279 CA VAL A 20 72.013 17.905 -2.746 1.00 0.00 C ATOM 280 C VAL A 20 71.978 16.395 -3.023 1.00 0.00 C ATOM 281 O VAL A 20 70.918 15.804 -3.135 1.00 0.00 O ATOM 282 CB VAL A 20 72.010 18.705 -4.057 1.00 0.00 C ATOM 283 CG1 VAL A 20 70.740 18.395 -4.856 1.00 0.00 C ATOM 284 CG2 VAL A 20 72.052 20.203 -3.743 1.00 0.00 C ATOM 0 H VAL A 20 73.979 18.749 -2.650 1.00 0.00 H new ATOM 0 HA VAL A 20 71.137 18.129 -2.137 1.00 0.00 H new ATOM 0 HB VAL A 20 72.885 18.426 -4.645 1.00 0.00 H new ATOM 0 HG11 VAL A 20 70.746 18.966 -5.784 1.00 0.00 H new ATOM 0 HG12 VAL A 20 70.705 17.330 -5.086 1.00 0.00 H new ATOM 0 HG13 VAL A 20 69.864 18.668 -4.267 1.00 0.00 H new ATOM 0 HG21 VAL A 20 72.050 20.770 -4.674 1.00 0.00 H new ATOM 0 HG22 VAL A 20 71.179 20.475 -3.150 1.00 0.00 H new ATOM 0 HG23 VAL A 20 72.957 20.432 -3.181 1.00 0.00 H new ATOM 294 N LEU A 21 73.125 15.768 -3.134 1.00 0.00 N ATOM 295 CA LEU A 21 73.170 14.303 -3.424 1.00 0.00 C ATOM 296 C LEU A 21 73.204 13.469 -2.131 1.00 0.00 C ATOM 297 O LEU A 21 72.966 12.275 -2.159 1.00 0.00 O ATOM 298 CB LEU A 21 74.461 14.121 -4.215 1.00 0.00 C ATOM 299 CG LEU A 21 74.335 14.812 -5.575 1.00 0.00 C ATOM 300 CD1 LEU A 21 75.674 14.734 -6.311 1.00 0.00 C ATOM 301 CD2 LEU A 21 73.257 14.113 -6.410 1.00 0.00 C ATOM 0 H LEU A 21 74.037 16.213 -3.035 1.00 0.00 H new ATOM 0 HA LEU A 21 72.287 13.967 -3.967 1.00 0.00 H new ATOM 0 HB2 LEU A 21 75.301 14.539 -3.660 1.00 0.00 H new ATOM 0 HB3 LEU A 21 74.667 13.060 -4.353 1.00 0.00 H new ATOM 0 HG LEU A 21 74.058 15.856 -5.425 1.00 0.00 H new ATOM 0 HD11 LEU A 21 75.586 15.226 -7.280 1.00 0.00 H new ATOM 0 HD12 LEU A 21 76.443 15.231 -5.720 1.00 0.00 H new ATOM 0 HD13 LEU A 21 75.948 13.689 -6.458 1.00 0.00 H new ATOM 0 HD21 LEU A 21 73.169 14.607 -7.378 1.00 0.00 H new ATOM 0 HD22 LEU A 21 73.532 13.069 -6.559 1.00 0.00 H new ATOM 0 HD23 LEU A 21 72.302 14.165 -5.888 1.00 0.00 H new ATOM 313 N GLY A 22 73.497 14.082 -1.004 1.00 0.00 N ATOM 314 CA GLY A 22 73.552 13.321 0.283 1.00 0.00 C ATOM 315 C GLY A 22 74.684 12.288 0.240 1.00 0.00 C ATOM 316 O GLY A 22 75.678 12.469 -0.439 1.00 0.00 O ATOM 0 H GLY A 22 73.700 15.078 -0.924 1.00 0.00 H new ATOM 0 HA2 GLY A 22 73.709 14.009 1.114 1.00 0.00 H new ATOM 0 HA3 GLY A 22 72.600 12.821 0.459 1.00 0.00 H new ATOM 320 N VAL A 23 74.538 11.206 0.967 1.00 0.00 N ATOM 321 CA VAL A 23 75.642 10.194 1.054 1.00 0.00 C ATOM 322 C VAL A 23 75.087 8.792 0.811 1.00 0.00 C ATOM 323 O VAL A 23 73.996 8.470 1.251 1.00 0.00 O ATOM 324 CB VAL A 23 76.191 10.291 2.485 1.00 0.00 C ATOM 325 CG1 VAL A 23 77.396 9.354 2.635 1.00 0.00 C ATOM 326 CG2 VAL A 23 76.626 11.729 2.789 1.00 0.00 C ATOM 0 H VAL A 23 73.702 10.979 1.505 1.00 0.00 H new ATOM 0 HA VAL A 23 76.415 10.382 0.309 1.00 0.00 H new ATOM 0 HB VAL A 23 75.407 10.000 3.185 1.00 0.00 H new ATOM 0 HG11 VAL A 23 77.786 9.423 3.651 1.00 0.00 H new ATOM 0 HG12 VAL A 23 77.087 8.328 2.434 1.00 0.00 H new ATOM 0 HG13 VAL A 23 78.173 9.644 1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 23 77.013 11.785 3.806 1.00 0.00 H new ATOM 0 HG22 VAL A 23 77.404 12.030 2.088 1.00 0.00 H new ATOM 0 HG23 VAL A 23 75.770 12.397 2.690 1.00 0.00 H new ATOM 336 N PHE A 24 75.827 7.956 0.121 1.00 0.00 N ATOM 337 CA PHE A 24 75.411 6.529 -0.015 1.00 0.00 C ATOM 338 C PHE A 24 76.600 5.600 0.262 1.00 0.00 C ATOM 339 O PHE A 24 77.742 6.003 0.187 1.00 0.00 O ATOM 340 CB PHE A 24 74.900 6.357 -1.456 1.00 0.00 C ATOM 341 CG PHE A 24 75.975 6.430 -2.522 1.00 0.00 C ATOM 342 CD1 PHE A 24 76.662 5.232 -2.910 1.00 0.00 C ATOM 343 CD2 PHE A 24 76.323 7.684 -3.128 1.00 0.00 C ATOM 344 CE1 PHE A 24 77.692 5.285 -3.907 1.00 0.00 C ATOM 345 CE2 PHE A 24 77.355 7.735 -4.124 1.00 0.00 C ATOM 346 CZ PHE A 24 78.037 6.536 -4.515 1.00 0.00 C ATOM 0 H PHE A 24 76.697 8.202 -0.351 1.00 0.00 H new ATOM 0 HA PHE A 24 74.632 6.271 0.703 1.00 0.00 H new ATOM 0 HB2 PHE A 24 74.394 5.395 -1.535 1.00 0.00 H new ATOM 0 HB3 PHE A 24 74.155 7.127 -1.657 1.00 0.00 H new ATOM 0 HD1 PHE A 24 76.403 4.289 -2.451 1.00 0.00 H new ATOM 0 HD2 PHE A 24 75.809 8.588 -2.835 1.00 0.00 H new ATOM 0 HE1 PHE A 24 78.207 4.382 -4.199 1.00 0.00 H new ATOM 0 HE2 PHE A 24 77.618 8.678 -4.580 1.00 0.00 H new ATOM 0 HZ PHE A 24 78.811 6.576 -5.268 1.00 0.00 H new ATOM 356 N GLN A 25 76.325 4.363 0.579 1.00 0.00 N ATOM 357 CA GLN A 25 77.417 3.372 0.812 1.00 0.00 C ATOM 358 C GLN A 25 77.047 2.043 0.151 1.00 0.00 C ATOM 359 O GLN A 25 75.884 1.683 0.088 1.00 0.00 O ATOM 360 CB GLN A 25 77.501 3.225 2.332 1.00 0.00 C ATOM 361 CG GLN A 25 77.881 4.575 2.951 1.00 0.00 C ATOM 362 CD GLN A 25 77.950 4.458 4.478 1.00 0.00 C ATOM 363 OE1 GLN A 25 77.936 3.371 5.024 1.00 0.00 O ATOM 364 NE2 GLN A 25 78.022 5.547 5.195 1.00 0.00 N ATOM 0 H GLN A 25 75.381 3.993 0.688 1.00 0.00 H new ATOM 0 HA GLN A 25 78.372 3.685 0.390 1.00 0.00 H new ATOM 0 HB2 GLN A 25 76.544 2.886 2.730 1.00 0.00 H new ATOM 0 HB3 GLN A 25 78.241 2.470 2.596 1.00 0.00 H new ATOM 0 HG2 GLN A 25 78.844 4.904 2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 25 77.148 5.331 2.670 1.00 0.00 H new ATOM 0 HE21 GLN A 25 78.034 6.459 4.738 1.00 0.00 H new ATOM 0 HE22 GLN A 25 78.066 5.486 6.212 1.00 0.00 H new ATOM 373 N GLY A 26 78.021 1.318 -0.345 1.00 0.00 N ATOM 374 CA GLY A 26 77.715 0.056 -1.085 1.00 0.00 C ATOM 375 C GLY A 26 79.012 -0.649 -1.481 1.00 0.00 C ATOM 376 O GLY A 26 80.093 -0.100 -1.360 1.00 0.00 O ATOM 0 H GLY A 26 79.012 1.546 -0.269 1.00 0.00 H new ATOM 0 HA2 GLY A 26 77.110 -0.602 -0.462 1.00 0.00 H new ATOM 0 HA3 GLY A 26 77.128 0.281 -1.975 1.00 0.00 H new ATOM 380 N LEU A 27 78.908 -1.869 -1.949 1.00 0.00 N ATOM 381 CA LEU A 27 80.097 -2.562 -2.524 1.00 0.00 C ATOM 382 C LEU A 27 80.194 -2.273 -4.022 1.00 0.00 C ATOM 383 O LEU A 27 79.209 -2.318 -4.738 1.00 0.00 O ATOM 384 CB LEU A 27 79.851 -4.051 -2.279 1.00 0.00 C ATOM 385 CG LEU A 27 79.890 -4.335 -0.776 1.00 0.00 C ATOM 386 CD1 LEU A 27 79.317 -5.729 -0.506 1.00 0.00 C ATOM 387 CD2 LEU A 27 81.340 -4.277 -0.283 1.00 0.00 C ATOM 0 H LEU A 27 78.046 -2.415 -1.956 1.00 0.00 H new ATOM 0 HA LEU A 27 81.030 -2.228 -2.071 1.00 0.00 H new ATOM 0 HB2 LEU A 27 78.885 -4.343 -2.690 1.00 0.00 H new ATOM 0 HB3 LEU A 27 80.608 -4.645 -2.792 1.00 0.00 H new ATOM 0 HG LEU A 27 79.296 -3.588 -0.249 1.00 0.00 H new ATOM 0 HD11 LEU A 27 79.344 -5.933 0.564 1.00 0.00 H new ATOM 0 HD12 LEU A 27 78.286 -5.773 -0.858 1.00 0.00 H new ATOM 0 HD13 LEU A 27 79.912 -6.475 -1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 81.369 -4.479 0.788 1.00 0.00 H new ATOM 0 HD22 LEU A 27 81.933 -5.024 -0.809 1.00 0.00 H new ATOM 0 HD23 LEU A 27 81.751 -3.286 -0.476 1.00 0.00 H new ATOM 399 N ILE A 28 81.376 -1.977 -4.493 1.00 0.00 N ATOM 400 CA ILE A 28 81.555 -1.619 -5.935 1.00 0.00 C ATOM 401 C ILE A 28 81.257 -2.832 -6.825 1.00 0.00 C ATOM 402 O ILE A 28 81.661 -3.942 -6.532 1.00 0.00 O ATOM 403 CB ILE A 28 83.028 -1.190 -6.060 1.00 0.00 C ATOM 404 CG1 ILE A 28 83.270 0.037 -5.170 1.00 0.00 C ATOM 405 CG2 ILE A 28 83.368 -0.849 -7.520 1.00 0.00 C ATOM 406 CD1 ILE A 28 84.757 0.406 -5.188 1.00 0.00 C ATOM 0 H ILE A 28 82.232 -1.967 -3.939 1.00 0.00 H new ATOM 0 HA ILE A 28 80.877 -0.827 -6.253 1.00 0.00 H new ATOM 0 HB ILE A 28 83.668 -2.012 -5.740 1.00 0.00 H new ATOM 0 HG12 ILE A 28 82.673 0.878 -5.524 1.00 0.00 H new ATOM 0 HG13 ILE A 28 82.951 -0.174 -4.149 1.00 0.00 H new ATOM 0 HG21 ILE A 28 84.413 -0.548 -7.589 1.00 0.00 H new ATOM 0 HG22 ILE A 28 83.200 -1.725 -8.147 1.00 0.00 H new ATOM 0 HG23 ILE A 28 82.732 -0.032 -7.861 1.00 0.00 H new ATOM 0 HD11 ILE A 28 84.923 1.277 -4.555 1.00 0.00 H new ATOM 0 HD12 ILE A 28 85.344 -0.432 -4.813 1.00 0.00 H new ATOM 0 HD13 ILE A 28 85.063 0.636 -6.209 1.00 0.00 H new ATOM 418 N LYS A 29 80.549 -2.620 -7.905 1.00 0.00 N ATOM 419 CA LYS A 29 80.318 -3.718 -8.892 1.00 0.00 C ATOM 420 C LYS A 29 81.112 -3.446 -10.173 1.00 0.00 C ATOM 421 O LYS A 29 81.501 -4.361 -10.876 1.00 0.00 O ATOM 422 CB LYS A 29 78.816 -3.693 -9.171 1.00 0.00 C ATOM 423 CG LYS A 29 78.450 -4.852 -10.101 1.00 0.00 C ATOM 424 CD LYS A 29 78.475 -6.165 -9.317 1.00 0.00 C ATOM 425 CE LYS A 29 78.031 -7.312 -10.227 1.00 0.00 C ATOM 426 NZ LYS A 29 78.191 -8.542 -9.402 1.00 0.00 N ATOM 0 H LYS A 29 80.118 -1.728 -8.147 1.00 0.00 H new ATOM 0 HA LYS A 29 80.642 -4.689 -8.517 1.00 0.00 H new ATOM 0 HB2 LYS A 29 78.260 -3.773 -8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 29 78.536 -2.744 -9.628 1.00 0.00 H new ATOM 0 HG2 LYS A 29 77.460 -4.690 -10.528 1.00 0.00 H new ATOM 0 HG3 LYS A 29 79.152 -4.900 -10.933 1.00 0.00 H new ATOM 0 HD2 LYS A 29 79.479 -6.355 -8.938 1.00 0.00 H new ATOM 0 HD3 LYS A 29 77.815 -6.097 -8.452 1.00 0.00 H new ATOM 0 HE2 LYS A 29 76.997 -7.184 -10.548 1.00 0.00 H new ATOM 0 HE3 LYS A 29 78.641 -7.359 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 77.906 -9.373 -9.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 79.186 -8.642 -9.117 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 77.593 -8.471 -8.554 1.00 0.00 H new ATOM 440 N GLN A 30 81.351 -2.192 -10.479 1.00 0.00 N ATOM 441 CA GLN A 30 82.139 -1.847 -11.702 1.00 0.00 C ATOM 442 C GLN A 30 82.713 -0.436 -11.565 1.00 0.00 C ATOM 443 O GLN A 30 82.121 0.421 -10.936 1.00 0.00 O ATOM 444 CB GLN A 30 81.137 -1.915 -12.856 1.00 0.00 C ATOM 445 CG GLN A 30 81.873 -1.709 -14.184 1.00 0.00 C ATOM 446 CD GLN A 30 80.887 -1.813 -15.354 1.00 0.00 C ATOM 447 OE1 GLN A 30 79.750 -2.212 -15.184 1.00 0.00 O ATOM 448 NE2 GLN A 30 81.279 -1.464 -16.550 1.00 0.00 N ATOM 0 H GLN A 30 81.033 -1.392 -9.932 1.00 0.00 H new ATOM 0 HA GLN A 30 82.980 -2.522 -11.862 1.00 0.00 H new ATOM 0 HB2 GLN A 30 80.630 -2.880 -12.855 1.00 0.00 H new ATOM 0 HB3 GLN A 30 80.370 -1.151 -12.731 1.00 0.00 H new ATOM 0 HG2 GLN A 30 82.358 -0.733 -14.192 1.00 0.00 H new ATOM 0 HG3 GLN A 30 82.659 -2.456 -14.293 1.00 0.00 H new ATOM 0 HE21 GLN A 30 82.231 -1.129 -16.697 1.00 0.00 H new ATOM 0 HE22 GLN A 30 80.633 -1.526 -17.337 1.00 0.00 H new ATOM 457 N ILE A 31 83.861 -0.190 -12.150 1.00 0.00 N ATOM 458 CA ILE A 31 84.505 1.154 -12.017 1.00 0.00 C ATOM 459 C ILE A 31 85.089 1.592 -13.362 1.00 0.00 C ATOM 460 O ILE A 31 85.701 0.812 -14.069 1.00 0.00 O ATOM 461 CB ILE A 31 85.611 0.992 -10.962 1.00 0.00 C ATOM 462 CG1 ILE A 31 84.995 0.512 -9.638 1.00 0.00 C ATOM 463 CG2 ILE A 31 86.319 2.339 -10.742 1.00 0.00 C ATOM 464 CD1 ILE A 31 86.096 0.267 -8.604 1.00 0.00 C ATOM 0 H ILE A 31 84.380 -0.863 -12.714 1.00 0.00 H new ATOM 0 HA ILE A 31 83.789 1.919 -11.717 1.00 0.00 H new ATOM 0 HB ILE A 31 86.336 0.257 -11.311 1.00 0.00 H new ATOM 0 HG12 ILE A 31 84.293 1.257 -9.263 1.00 0.00 H new ATOM 0 HG13 ILE A 31 84.429 -0.405 -9.802 1.00 0.00 H new ATOM 0 HG21 ILE A 31 87.102 2.220 -9.993 1.00 0.00 H new ATOM 0 HG22 ILE A 31 86.761 2.675 -11.680 1.00 0.00 H new ATOM 0 HG23 ILE A 31 85.596 3.078 -10.396 1.00 0.00 H new ATOM 0 HD11 ILE A 31 85.649 -0.073 -7.670 1.00 0.00 H new ATOM 0 HD12 ILE A 31 86.782 -0.494 -8.976 1.00 0.00 H new ATOM 0 HD13 ILE A 31 86.643 1.193 -8.429 1.00 0.00 H new ATOM 476 N SER A 32 84.900 2.838 -13.710 1.00 0.00 N ATOM 477 CA SER A 32 85.524 3.387 -14.949 1.00 0.00 C ATOM 478 C SER A 32 85.879 4.858 -14.729 1.00 0.00 C ATOM 479 O SER A 32 85.319 5.516 -13.874 1.00 0.00 O ATOM 480 CB SER A 32 84.461 3.246 -16.036 1.00 0.00 C ATOM 481 OG SER A 32 83.354 4.082 -15.722 1.00 0.00 O ATOM 0 H SER A 32 84.335 3.504 -13.184 1.00 0.00 H new ATOM 0 HA SER A 32 86.441 2.865 -15.222 1.00 0.00 H new ATOM 0 HB2 SER A 32 84.877 3.522 -17.005 1.00 0.00 H new ATOM 0 HB3 SER A 32 84.137 2.208 -16.112 1.00 0.00 H new ATOM 0 HG SER A 32 82.670 3.995 -16.419 1.00 0.00 H new ATOM 487 N ALA A 33 86.796 5.380 -15.504 1.00 0.00 N ATOM 488 CA ALA A 33 87.344 6.749 -15.221 1.00 0.00 C ATOM 489 C ALA A 33 86.223 7.797 -15.150 1.00 0.00 C ATOM 490 O ALA A 33 86.380 8.833 -14.529 1.00 0.00 O ATOM 491 CB ALA A 33 88.282 7.057 -16.391 1.00 0.00 C ATOM 0 H ALA A 33 87.192 4.919 -16.323 1.00 0.00 H new ATOM 0 HA ALA A 33 87.855 6.779 -14.259 1.00 0.00 H new ATOM 0 HB1 ALA A 33 88.722 8.045 -16.254 1.00 0.00 H new ATOM 0 HB2 ALA A 33 89.074 6.309 -16.429 1.00 0.00 H new ATOM 0 HB3 ALA A 33 87.719 7.037 -17.324 1.00 0.00 H new ATOM 497 N GLU A 34 85.098 7.537 -15.776 1.00 0.00 N ATOM 498 CA GLU A 34 84.023 8.574 -15.857 1.00 0.00 C ATOM 499 C GLU A 34 83.025 8.429 -14.699 1.00 0.00 C ATOM 500 O GLU A 34 82.390 9.390 -14.305 1.00 0.00 O ATOM 501 CB GLU A 34 83.331 8.327 -17.198 1.00 0.00 C ATOM 502 CG GLU A 34 84.320 8.577 -18.344 1.00 0.00 C ATOM 503 CD GLU A 34 84.764 10.048 -18.355 1.00 0.00 C ATOM 504 OE1 GLU A 34 84.039 10.880 -17.829 1.00 0.00 O ATOM 505 OE2 GLU A 34 85.827 10.317 -18.891 1.00 0.00 O ATOM 0 H GLU A 34 84.880 6.652 -16.233 1.00 0.00 H new ATOM 0 HA GLU A 34 84.431 9.582 -15.784 1.00 0.00 H new ATOM 0 HB2 GLU A 34 82.959 7.304 -17.243 1.00 0.00 H new ATOM 0 HB3 GLU A 34 82.468 8.985 -17.299 1.00 0.00 H new ATOM 0 HG2 GLU A 34 85.189 7.929 -18.231 1.00 0.00 H new ATOM 0 HG3 GLU A 34 83.855 8.323 -19.297 1.00 0.00 H new ATOM 512 N GLU A 35 82.881 7.243 -14.153 1.00 0.00 N ATOM 513 CA GLU A 35 81.809 7.009 -13.133 1.00 0.00 C ATOM 514 C GLU A 35 82.157 5.818 -12.230 1.00 0.00 C ATOM 515 O GLU A 35 82.931 4.954 -12.596 1.00 0.00 O ATOM 516 CB GLU A 35 80.537 6.730 -13.944 1.00 0.00 C ATOM 517 CG GLU A 35 80.741 5.501 -14.840 1.00 0.00 C ATOM 518 CD GLU A 35 79.516 5.294 -15.740 1.00 0.00 C ATOM 519 OE1 GLU A 35 78.437 5.724 -15.361 1.00 0.00 O ATOM 520 OE2 GLU A 35 79.680 4.706 -16.797 1.00 0.00 O ATOM 0 H GLU A 35 83.458 6.430 -14.369 1.00 0.00 H new ATOM 0 HA GLU A 35 81.688 7.865 -12.470 1.00 0.00 H new ATOM 0 HB2 GLU A 35 79.696 6.563 -13.270 1.00 0.00 H new ATOM 0 HB3 GLU A 35 80.288 7.598 -14.555 1.00 0.00 H new ATOM 0 HG2 GLU A 35 81.633 5.632 -15.452 1.00 0.00 H new ATOM 0 HG3 GLU A 35 80.903 4.616 -14.225 1.00 0.00 H new ATOM 527 N ILE A 36 81.587 5.777 -11.052 1.00 0.00 N ATOM 528 CA ILE A 36 81.724 4.568 -10.178 1.00 0.00 C ATOM 529 C ILE A 36 80.351 3.909 -9.997 1.00 0.00 C ATOM 530 O ILE A 36 79.355 4.588 -9.821 1.00 0.00 O ATOM 531 CB ILE A 36 82.249 5.092 -8.834 1.00 0.00 C ATOM 532 CG1 ILE A 36 83.574 5.857 -9.032 1.00 0.00 C ATOM 533 CG2 ILE A 36 82.476 3.916 -7.881 1.00 0.00 C ATOM 534 CD1 ILE A 36 84.632 4.948 -9.674 1.00 0.00 C ATOM 0 H ILE A 36 81.029 6.533 -10.654 1.00 0.00 H new ATOM 0 HA ILE A 36 82.394 3.821 -10.604 1.00 0.00 H new ATOM 0 HB ILE A 36 81.511 5.773 -8.411 1.00 0.00 H new ATOM 0 HG12 ILE A 36 83.406 6.730 -9.663 1.00 0.00 H new ATOM 0 HG13 ILE A 36 83.936 6.223 -8.071 1.00 0.00 H new ATOM 0 HG21 ILE A 36 82.849 4.288 -6.927 1.00 0.00 H new ATOM 0 HG22 ILE A 36 81.535 3.389 -7.723 1.00 0.00 H new ATOM 0 HG23 ILE A 36 83.206 3.232 -8.314 1.00 0.00 H new ATOM 0 HD11 ILE A 36 85.559 5.506 -9.806 1.00 0.00 H new ATOM 0 HD12 ILE A 36 84.814 4.089 -9.028 1.00 0.00 H new ATOM 0 HD13 ILE A 36 84.275 4.603 -10.645 1.00 0.00 H new ATOM 546 N THR A 37 80.291 2.596 -10.038 1.00 0.00 N ATOM 547 CA THR A 37 78.970 1.898 -9.943 1.00 0.00 C ATOM 548 C THR A 37 78.991 0.867 -8.806 1.00 0.00 C ATOM 549 O THR A 37 79.916 0.086 -8.686 1.00 0.00 O ATOM 550 CB THR A 37 78.796 1.199 -11.292 1.00 0.00 C ATOM 551 OG1 THR A 37 78.896 2.159 -12.336 1.00 0.00 O ATOM 552 CG2 THR A 37 77.426 0.523 -11.346 1.00 0.00 C ATOM 0 H THR A 37 81.099 1.981 -10.133 1.00 0.00 H new ATOM 0 HA THR A 37 78.154 2.589 -9.729 1.00 0.00 H new ATOM 0 HB THR A 37 79.574 0.445 -11.415 1.00 0.00 H new ATOM 0 HG1 THR A 37 78.787 1.713 -13.202 1.00 0.00 H new ATOM 0 HG21 THR A 37 77.304 0.025 -12.308 1.00 0.00 H new ATOM 0 HG22 THR A 37 77.351 -0.212 -10.545 1.00 0.00 H new ATOM 0 HG23 THR A 37 76.645 1.273 -11.224 1.00 0.00 H new ATOM 560 N ILE A 38 77.972 0.860 -7.979 1.00 0.00 N ATOM 561 CA ILE A 38 77.926 -0.102 -6.825 1.00 0.00 C ATOM 562 C ILE A 38 76.544 -0.763 -6.743 1.00 0.00 C ATOM 563 O ILE A 38 75.622 -0.378 -7.435 1.00 0.00 O ATOM 564 CB ILE A 38 78.187 0.725 -5.556 1.00 0.00 C ATOM 565 CG1 ILE A 38 77.178 1.879 -5.477 1.00 0.00 C ATOM 566 CG2 ILE A 38 79.616 1.281 -5.569 1.00 0.00 C ATOM 567 CD1 ILE A 38 76.900 2.226 -4.016 1.00 0.00 C ATOM 0 H ILE A 38 77.166 1.481 -8.052 1.00 0.00 H new ATOM 0 HA ILE A 38 78.667 -0.893 -6.943 1.00 0.00 H new ATOM 0 HB ILE A 38 78.070 0.082 -4.683 1.00 0.00 H new ATOM 0 HG12 ILE A 38 77.569 2.752 -5.999 1.00 0.00 H new ATOM 0 HG13 ILE A 38 76.251 1.598 -5.976 1.00 0.00 H new ATOM 0 HG21 ILE A 38 79.788 1.865 -4.665 1.00 0.00 H new ATOM 0 HG22 ILE A 38 80.327 0.456 -5.609 1.00 0.00 H new ATOM 0 HG23 ILE A 38 79.751 1.918 -6.443 1.00 0.00 H new ATOM 0 HD11 ILE A 38 76.183 3.046 -3.967 1.00 0.00 H new ATOM 0 HD12 ILE A 38 76.490 1.354 -3.507 1.00 0.00 H new ATOM 0 HD13 ILE A 38 77.828 2.526 -3.530 1.00 0.00 H new ATOM 579 N VAL A 39 76.402 -1.750 -5.894 1.00 0.00 N ATOM 580 CA VAL A 39 75.106 -2.499 -5.799 1.00 0.00 C ATOM 581 C VAL A 39 74.623 -2.559 -4.344 1.00 0.00 C ATOM 582 O VAL A 39 75.377 -2.313 -3.426 1.00 0.00 O ATOM 583 CB VAL A 39 75.395 -3.902 -6.340 1.00 0.00 C ATOM 584 CG1 VAL A 39 75.819 -3.798 -7.805 1.00 0.00 C ATOM 585 CG2 VAL A 39 76.516 -4.558 -5.527 1.00 0.00 C ATOM 0 H VAL A 39 77.131 -2.073 -5.258 1.00 0.00 H new ATOM 0 HA VAL A 39 74.315 -2.010 -6.369 1.00 0.00 H new ATOM 0 HB VAL A 39 74.495 -4.512 -6.258 1.00 0.00 H new ATOM 0 HG11 VAL A 39 76.026 -4.794 -8.195 1.00 0.00 H new ATOM 0 HG12 VAL A 39 75.017 -3.341 -8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 39 76.717 -3.185 -7.881 1.00 0.00 H new ATOM 0 HG21 VAL A 39 76.714 -5.555 -5.919 1.00 0.00 H new ATOM 0 HG22 VAL A 39 77.420 -3.953 -5.600 1.00 0.00 H new ATOM 0 HG23 VAL A 39 76.212 -4.633 -4.483 1.00 0.00 H new ATOM 595 N ARG A 40 73.363 -2.880 -4.137 1.00 0.00 N ATOM 596 CA ARG A 40 72.754 -2.819 -2.762 1.00 0.00 C ATOM 597 C ARG A 40 72.894 -1.404 -2.194 1.00 0.00 C ATOM 598 O ARG A 40 73.607 -1.171 -1.236 1.00 0.00 O ATOM 599 CB ARG A 40 73.509 -3.840 -1.893 1.00 0.00 C ATOM 600 CG ARG A 40 73.427 -5.227 -2.538 1.00 0.00 C ATOM 601 CD ARG A 40 71.979 -5.722 -2.503 1.00 0.00 C ATOM 602 NE ARG A 40 72.031 -7.123 -3.034 1.00 0.00 N ATOM 603 CZ ARG A 40 71.077 -8.001 -2.776 1.00 0.00 C ATOM 604 NH1 ARG A 40 70.027 -7.696 -2.044 1.00 0.00 N ATOM 605 NH2 ARG A 40 71.179 -9.207 -3.264 1.00 0.00 N ATOM 0 H ARG A 40 72.723 -3.185 -4.870 1.00 0.00 H new ATOM 0 HA ARG A 40 71.690 -3.056 -2.786 1.00 0.00 H new ATOM 0 HB2 ARG A 40 74.551 -3.540 -1.785 1.00 0.00 H new ATOM 0 HB3 ARG A 40 73.080 -3.868 -0.892 1.00 0.00 H new ATOM 0 HG2 ARG A 40 73.782 -5.183 -3.567 1.00 0.00 H new ATOM 0 HG3 ARG A 40 74.074 -5.925 -2.007 1.00 0.00 H new ATOM 0 HD2 ARG A 40 71.579 -5.699 -1.489 1.00 0.00 H new ATOM 0 HD3 ARG A 40 71.333 -5.093 -3.115 1.00 0.00 H new ATOM 0 HE ARG A 40 72.824 -7.406 -3.610 1.00 0.00 H new ATOM 0 HH11 ARG A 40 69.931 -6.758 -1.656 1.00 0.00 H new ATOM 0 HH12 ARG A 40 69.309 -8.398 -1.864 1.00 0.00 H new ATOM 0 HH21 ARG A 40 71.986 -9.460 -3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 40 70.452 -9.897 -3.075 1.00 0.00 H new ATOM 619 N ALA A 41 72.210 -0.465 -2.793 1.00 0.00 N ATOM 620 CA ALA A 41 72.399 0.974 -2.422 1.00 0.00 C ATOM 621 C ALA A 41 71.886 1.260 -1.006 1.00 0.00 C ATOM 622 O ALA A 41 70.747 0.982 -0.673 1.00 0.00 O ATOM 623 CB ALA A 41 71.575 1.759 -3.445 1.00 0.00 C ATOM 0 H ALA A 41 71.523 -0.632 -3.529 1.00 0.00 H new ATOM 0 HA ALA A 41 73.454 1.249 -2.430 1.00 0.00 H new ATOM 0 HB1 ALA A 41 71.662 2.826 -3.240 1.00 0.00 H new ATOM 0 HB2 ALA A 41 71.946 1.551 -4.448 1.00 0.00 H new ATOM 0 HB3 ALA A 41 70.529 1.460 -3.376 1.00 0.00 H new ATOM 629 N PHE A 42 72.727 1.815 -0.174 1.00 0.00 N ATOM 630 CA PHE A 42 72.255 2.374 1.127 1.00 0.00 C ATOM 631 C PHE A 42 72.458 3.890 1.128 1.00 0.00 C ATOM 632 O PHE A 42 73.494 4.374 0.719 1.00 0.00 O ATOM 633 CB PHE A 42 73.129 1.712 2.197 1.00 0.00 C ATOM 634 CG PHE A 42 72.566 0.415 2.741 1.00 0.00 C ATOM 635 CD1 PHE A 42 72.724 -0.816 2.013 1.00 0.00 C ATOM 636 CD2 PHE A 42 71.877 0.417 4.001 1.00 0.00 C ATOM 637 CE1 PHE A 42 72.190 -2.036 2.546 1.00 0.00 C ATOM 638 CE2 PHE A 42 71.346 -0.804 4.532 1.00 0.00 C ATOM 639 CZ PHE A 42 71.501 -2.030 3.804 1.00 0.00 C ATOM 0 H PHE A 42 73.729 1.906 -0.341 1.00 0.00 H new ATOM 0 HA PHE A 42 71.197 2.182 1.306 1.00 0.00 H new ATOM 0 HB2 PHE A 42 74.116 1.519 1.776 1.00 0.00 H new ATOM 0 HB3 PHE A 42 73.266 2.411 3.022 1.00 0.00 H new ATOM 0 HD1 PHE A 42 73.244 -0.821 1.066 1.00 0.00 H new ATOM 0 HD2 PHE A 42 71.759 1.340 4.549 1.00 0.00 H new ATOM 0 HE1 PHE A 42 72.307 -2.960 1.999 1.00 0.00 H new ATOM 0 HE2 PHE A 42 70.829 -0.801 5.480 1.00 0.00 H new ATOM 0 HZ PHE A 42 71.099 -2.949 4.203 1.00 0.00 H new ATOM 649 N ARG A 43 71.484 4.639 1.584 1.00 0.00 N ATOM 650 CA ARG A 43 71.623 6.130 1.609 1.00 0.00 C ATOM 651 C ARG A 43 71.142 6.681 2.950 1.00 0.00 C ATOM 652 O ARG A 43 70.220 6.162 3.547 1.00 0.00 O ATOM 653 CB ARG A 43 70.734 6.642 0.475 1.00 0.00 C ATOM 654 CG ARG A 43 71.311 6.202 -0.872 1.00 0.00 C ATOM 655 CD ARG A 43 70.542 6.891 -2.002 1.00 0.00 C ATOM 656 NE ARG A 43 71.025 6.242 -3.262 1.00 0.00 N ATOM 657 CZ ARG A 43 70.890 6.825 -4.441 1.00 0.00 C ATOM 658 NH1 ARG A 43 70.333 8.010 -4.574 1.00 0.00 N ATOM 659 NH2 ARG A 43 71.320 6.206 -5.506 1.00 0.00 N ATOM 0 H ARG A 43 70.597 4.282 1.941 1.00 0.00 H new ATOM 0 HA ARG A 43 72.659 6.444 1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 43 69.721 6.256 0.591 1.00 0.00 H new ATOM 0 HB3 ARG A 43 70.667 7.729 0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 43 72.369 6.458 -0.928 1.00 0.00 H new ATOM 0 HG3 ARG A 43 71.239 5.119 -0.975 1.00 0.00 H new ATOM 0 HD2 ARG A 43 69.466 6.763 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG A 43 70.736 7.964 -2.013 1.00 0.00 H new ATOM 0 HE ARG A 43 71.470 5.326 -3.209 1.00 0.00 H new ATOM 0 HH11 ARG A 43 69.990 8.507 -3.752 1.00 0.00 H new ATOM 0 HH12 ARG A 43 70.245 8.431 -5.499 1.00 0.00 H new ATOM 0 HH21 ARG A 43 71.753 5.286 -5.421 1.00 0.00 H new ATOM 0 HH22 ARG A 43 71.223 6.642 -6.423 1.00 0.00 H new ATOM 673 N ASN A 44 71.767 7.729 3.434 1.00 0.00 N ATOM 674 CA ASN A 44 71.335 8.358 4.732 1.00 0.00 C ATOM 675 C ASN A 44 71.243 7.308 5.853 1.00 0.00 C ATOM 676 O ASN A 44 70.335 7.331 6.663 1.00 0.00 O ATOM 677 CB ASN A 44 69.955 8.969 4.455 1.00 0.00 C ATOM 678 CG ASN A 44 70.059 9.995 3.321 1.00 0.00 C ATOM 679 OD1 ASN A 44 69.235 10.014 2.428 1.00 0.00 O ATOM 680 ND2 ASN A 44 71.043 10.853 3.316 1.00 0.00 N ATOM 0 H ASN A 44 72.564 8.181 2.985 1.00 0.00 H new ATOM 0 HA ASN A 44 72.052 9.107 5.067 1.00 0.00 H new ATOM 0 HB2 ASN A 44 69.248 8.185 4.184 1.00 0.00 H new ATOM 0 HB3 ASN A 44 69.571 9.447 5.356 1.00 0.00 H new ATOM 0 HD21 ASN A 44 71.119 11.537 2.564 1.00 0.00 H new ATOM 0 HD22 ASN A 44 71.736 10.839 4.065 1.00 0.00 H new ATOM 687 N GLY A 45 72.180 6.394 5.896 1.00 0.00 N ATOM 688 CA GLY A 45 72.229 5.401 7.014 1.00 0.00 C ATOM 689 C GLY A 45 70.964 4.532 7.035 1.00 0.00 C ATOM 690 O GLY A 45 70.621 3.965 8.057 1.00 0.00 O ATOM 0 H GLY A 45 72.918 6.292 5.200 1.00 0.00 H new ATOM 0 HA2 GLY A 45 73.108 4.767 6.903 1.00 0.00 H new ATOM 0 HA3 GLY A 45 72.331 5.924 7.965 1.00 0.00 H new ATOM 694 N VAL A 46 70.270 4.423 5.925 1.00 0.00 N ATOM 695 CA VAL A 46 69.100 3.491 5.855 1.00 0.00 C ATOM 696 C VAL A 46 69.047 2.813 4.467 1.00 0.00 C ATOM 697 O VAL A 46 69.495 3.386 3.495 1.00 0.00 O ATOM 698 CB VAL A 46 67.873 4.380 6.105 1.00 0.00 C ATOM 699 CG1 VAL A 46 66.577 3.581 5.920 1.00 0.00 C ATOM 700 CG2 VAL A 46 67.930 4.901 7.539 1.00 0.00 C ATOM 0 H VAL A 46 70.464 4.939 5.067 1.00 0.00 H new ATOM 0 HA VAL A 46 69.155 2.683 6.584 1.00 0.00 H new ATOM 0 HB VAL A 46 67.882 5.205 5.392 1.00 0.00 H new ATOM 0 HG11 VAL A 46 65.720 4.230 6.102 1.00 0.00 H new ATOM 0 HG12 VAL A 46 66.530 3.195 4.902 1.00 0.00 H new ATOM 0 HG13 VAL A 46 66.558 2.750 6.625 1.00 0.00 H new ATOM 0 HG21 VAL A 46 67.064 5.534 7.731 1.00 0.00 H new ATOM 0 HG22 VAL A 46 67.925 4.060 8.232 1.00 0.00 H new ATOM 0 HG23 VAL A 46 68.842 5.481 7.679 1.00 0.00 H new ATOM 710 N PRO A 47 68.501 1.609 4.408 1.00 0.00 N ATOM 711 CA PRO A 47 68.504 0.849 3.133 1.00 0.00 C ATOM 712 C PRO A 47 67.480 1.440 2.157 1.00 0.00 C ATOM 713 O PRO A 47 66.404 1.850 2.554 1.00 0.00 O ATOM 714 CB PRO A 47 68.108 -0.580 3.535 1.00 0.00 C ATOM 715 CG PRO A 47 67.971 -0.580 5.031 1.00 0.00 C ATOM 716 CD PRO A 47 67.839 0.848 5.479 1.00 0.00 C ATOM 0 HA PRO A 47 69.470 0.883 2.629 1.00 0.00 H new ATOM 0 HB2 PRO A 47 67.171 -0.871 3.060 1.00 0.00 H new ATOM 0 HB3 PRO A 47 68.864 -1.297 3.215 1.00 0.00 H new ATOM 0 HG2 PRO A 47 67.098 -1.158 5.335 1.00 0.00 H new ATOM 0 HG3 PRO A 47 68.840 -1.047 5.494 1.00 0.00 H new ATOM 0 HD2 PRO A 47 66.794 1.138 5.590 1.00 0.00 H new ATOM 0 HD3 PRO A 47 68.320 1.012 6.443 1.00 0.00 H new ATOM 724 N LEU A 48 67.807 1.486 0.886 1.00 0.00 N ATOM 725 CA LEU A 48 66.796 1.902 -0.136 1.00 0.00 C ATOM 726 C LEU A 48 65.842 0.742 -0.433 1.00 0.00 C ATOM 727 O LEU A 48 66.203 -0.414 -0.315 1.00 0.00 O ATOM 728 CB LEU A 48 67.604 2.274 -1.382 1.00 0.00 C ATOM 729 CG LEU A 48 68.560 3.433 -1.061 1.00 0.00 C ATOM 730 CD1 LEU A 48 69.430 3.751 -2.292 1.00 0.00 C ATOM 731 CD2 LEU A 48 67.747 4.676 -0.668 1.00 0.00 C ATOM 0 H LEU A 48 68.728 1.254 0.514 1.00 0.00 H new ATOM 0 HA LEU A 48 66.185 2.737 0.206 1.00 0.00 H new ATOM 0 HB2 LEU A 48 68.170 1.410 -1.730 1.00 0.00 H new ATOM 0 HB3 LEU A 48 66.931 2.560 -2.190 1.00 0.00 H new ATOM 0 HG LEU A 48 69.207 3.145 -0.232 1.00 0.00 H new ATOM 0 HD11 LEU A 48 70.105 4.574 -2.057 1.00 0.00 H new ATOM 0 HD12 LEU A 48 70.012 2.870 -2.564 1.00 0.00 H new ATOM 0 HD13 LEU A 48 68.789 4.034 -3.127 1.00 0.00 H new ATOM 0 HD21 LEU A 48 68.426 5.498 -0.440 1.00 0.00 H new ATOM 0 HD22 LEU A 48 67.096 4.961 -1.494 1.00 0.00 H new ATOM 0 HD23 LEU A 48 67.141 4.452 0.210 1.00 0.00 H new ATOM 743 N ARG A 49 64.626 1.047 -0.818 1.00 0.00 N ATOM 744 CA ARG A 49 63.608 -0.030 -1.064 1.00 0.00 C ATOM 745 C ARG A 49 64.121 -1.039 -2.098 1.00 0.00 C ATOM 746 O ARG A 49 63.880 -2.228 -1.984 1.00 0.00 O ATOM 747 CB ARG A 49 62.370 0.695 -1.598 1.00 0.00 C ATOM 748 CG ARG A 49 61.226 -0.306 -1.767 1.00 0.00 C ATOM 749 CD ARG A 49 60.019 0.396 -2.396 1.00 0.00 C ATOM 750 NE ARG A 49 59.634 1.458 -1.415 1.00 0.00 N ATOM 751 CZ ARG A 49 58.974 1.175 -0.304 1.00 0.00 C ATOM 752 NH1 ARG A 49 58.617 -0.054 -0.001 1.00 0.00 N ATOM 753 NH2 ARG A 49 58.669 2.144 0.515 1.00 0.00 N ATOM 0 H ARG A 49 64.291 1.998 -0.974 1.00 0.00 H new ATOM 0 HA ARG A 49 63.393 -0.593 -0.156 1.00 0.00 H new ATOM 0 HB2 ARG A 49 62.075 1.488 -0.911 1.00 0.00 H new ATOM 0 HB3 ARG A 49 62.597 1.169 -2.553 1.00 0.00 H new ATOM 0 HG2 ARG A 49 61.546 -1.136 -2.397 1.00 0.00 H new ATOM 0 HG3 ARG A 49 60.952 -0.727 -0.800 1.00 0.00 H new ATOM 0 HD2 ARG A 49 60.273 0.827 -3.364 1.00 0.00 H new ATOM 0 HD3 ARG A 49 59.199 -0.303 -2.563 1.00 0.00 H new ATOM 0 HE ARG A 49 59.887 2.427 -1.608 1.00 0.00 H new ATOM 0 HH11 ARG A 49 58.848 -0.822 -0.631 1.00 0.00 H new ATOM 0 HH12 ARG A 49 58.109 -0.239 0.864 1.00 0.00 H new ATOM 0 HH21 ARG A 49 58.939 3.102 0.294 1.00 0.00 H new ATOM 0 HH22 ARG A 49 58.160 1.943 1.376 1.00 0.00 H new ATOM 767 N LYS A 50 64.826 -0.573 -3.102 1.00 0.00 N ATOM 768 CA LYS A 50 65.331 -1.494 -4.165 1.00 0.00 C ATOM 769 C LYS A 50 66.806 -1.830 -3.926 1.00 0.00 C ATOM 770 O LYS A 50 67.691 -1.173 -4.446 1.00 0.00 O ATOM 771 CB LYS A 50 65.161 -0.720 -5.472 1.00 0.00 C ATOM 772 CG LYS A 50 63.674 -0.461 -5.723 1.00 0.00 C ATOM 773 CD LYS A 50 63.494 0.203 -7.089 1.00 0.00 C ATOM 774 CE LYS A 50 62.022 0.578 -7.287 1.00 0.00 C ATOM 775 NZ LYS A 50 61.733 0.257 -8.712 1.00 0.00 N ATOM 0 H LYS A 50 65.073 0.408 -3.229 1.00 0.00 H new ATOM 0 HA LYS A 50 64.792 -2.441 -4.178 1.00 0.00 H new ATOM 0 HB2 LYS A 50 65.702 0.225 -5.420 1.00 0.00 H new ATOM 0 HB3 LYS A 50 65.587 -1.286 -6.300 1.00 0.00 H new ATOM 0 HG2 LYS A 50 63.120 -1.399 -5.687 1.00 0.00 H new ATOM 0 HG3 LYS A 50 63.268 0.179 -4.940 1.00 0.00 H new ATOM 0 HD2 LYS A 50 64.119 1.093 -7.157 1.00 0.00 H new ATOM 0 HD3 LYS A 50 63.817 -0.474 -7.880 1.00 0.00 H new ATOM 0 HE2 LYS A 50 61.376 0.012 -6.616 1.00 0.00 H new ATOM 0 HE3 LYS A 50 61.852 1.634 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 60.741 0.487 -8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 62.358 0.816 -9.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 61.897 -0.756 -8.880 1.00 0.00 H new ATOM 789 N GLN A 51 67.072 -2.845 -3.144 1.00 0.00 N ATOM 790 CA GLN A 51 68.487 -3.285 -2.921 1.00 0.00 C ATOM 791 C GLN A 51 69.103 -3.760 -4.239 1.00 0.00 C ATOM 792 O GLN A 51 70.291 -3.621 -4.467 1.00 0.00 O ATOM 793 CB GLN A 51 68.405 -4.443 -1.921 1.00 0.00 C ATOM 794 CG GLN A 51 67.847 -3.932 -0.592 1.00 0.00 C ATOM 795 CD GLN A 51 67.861 -5.064 0.436 1.00 0.00 C ATOM 796 OE1 GLN A 51 68.892 -5.379 0.997 1.00 0.00 O ATOM 797 NE2 GLN A 51 66.752 -5.695 0.710 1.00 0.00 N ATOM 0 H GLN A 51 66.369 -3.392 -2.647 1.00 0.00 H new ATOM 0 HA GLN A 51 69.112 -2.474 -2.546 1.00 0.00 H new ATOM 0 HB2 GLN A 51 67.767 -5.233 -2.316 1.00 0.00 H new ATOM 0 HB3 GLN A 51 69.393 -4.877 -1.770 1.00 0.00 H new ATOM 0 HG2 GLN A 51 68.444 -3.093 -0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 51 66.830 -3.564 -0.730 1.00 0.00 H new ATOM 0 HE21 GLN A 51 65.886 -5.432 0.240 1.00 0.00 H new ATOM 0 HE22 GLN A 51 66.751 -6.451 1.394 1.00 0.00 H new ATOM 806 N ASN A 52 68.298 -4.321 -5.106 1.00 0.00 N ATOM 807 CA ASN A 52 68.828 -4.872 -6.394 1.00 0.00 C ATOM 808 C ASN A 52 69.243 -3.742 -7.345 1.00 0.00 C ATOM 809 O ASN A 52 70.054 -3.943 -8.232 1.00 0.00 O ATOM 810 CB ASN A 52 67.673 -5.678 -6.996 1.00 0.00 C ATOM 811 CG ASN A 52 67.330 -6.854 -6.077 1.00 0.00 C ATOM 812 OD1 ASN A 52 68.144 -7.280 -5.281 1.00 0.00 O ATOM 813 ND2 ASN A 52 66.148 -7.402 -6.156 1.00 0.00 N ATOM 0 H ASN A 52 67.291 -4.422 -4.978 1.00 0.00 H new ATOM 0 HA ASN A 52 69.715 -5.484 -6.232 1.00 0.00 H new ATOM 0 HB2 ASN A 52 66.800 -5.039 -7.126 1.00 0.00 H new ATOM 0 HB3 ASN A 52 67.949 -6.045 -7.984 1.00 0.00 H new ATOM 0 HD21 ASN A 52 65.908 -8.187 -5.550 1.00 0.00 H new ATOM 0 HD22 ASN A 52 65.464 -7.045 -6.824 1.00 0.00 H new ATOM 820 N ALA A 53 68.697 -2.560 -7.170 1.00 0.00 N ATOM 821 CA ALA A 53 69.013 -1.435 -8.108 1.00 0.00 C ATOM 822 C ALA A 53 70.438 -0.932 -7.867 1.00 0.00 C ATOM 823 O ALA A 53 70.864 -0.766 -6.738 1.00 0.00 O ATOM 824 CB ALA A 53 67.993 -0.339 -7.791 1.00 0.00 C ATOM 0 H ALA A 53 68.047 -2.327 -6.419 1.00 0.00 H new ATOM 0 HA ALA A 53 68.956 -1.745 -9.152 1.00 0.00 H new ATOM 0 HB1 ALA A 53 68.165 0.518 -8.442 1.00 0.00 H new ATOM 0 HB2 ALA A 53 66.985 -0.722 -7.954 1.00 0.00 H new ATOM 0 HB3 ALA A 53 68.101 -0.032 -6.751 1.00 0.00 H new ATOM 830 N GLU A 54 71.172 -0.689 -8.925 1.00 0.00 N ATOM 831 CA GLU A 54 72.587 -0.225 -8.777 1.00 0.00 C ATOM 832 C GLU A 54 72.651 1.309 -8.708 1.00 0.00 C ATOM 833 O GLU A 54 71.817 2.000 -9.264 1.00 0.00 O ATOM 834 CB GLU A 54 73.328 -0.766 -10.017 1.00 0.00 C ATOM 835 CG GLU A 54 72.827 -0.094 -11.308 1.00 0.00 C ATOM 836 CD GLU A 54 73.589 -0.663 -12.506 1.00 0.00 C ATOM 837 OE1 GLU A 54 74.771 -0.382 -12.620 1.00 0.00 O ATOM 838 OE2 GLU A 54 72.978 -1.369 -13.290 1.00 0.00 O ATOM 0 H GLU A 54 70.851 -0.792 -9.888 1.00 0.00 H new ATOM 0 HA GLU A 54 73.042 -0.587 -7.855 1.00 0.00 H new ATOM 0 HB2 GLU A 54 74.399 -0.593 -9.907 1.00 0.00 H new ATOM 0 HB3 GLU A 54 73.184 -1.844 -10.087 1.00 0.00 H new ATOM 0 HG2 GLU A 54 71.757 -0.265 -11.429 1.00 0.00 H new ATOM 0 HG3 GLU A 54 72.972 0.985 -11.250 1.00 0.00 H new ATOM 845 N VAL A 55 73.637 1.836 -8.027 1.00 0.00 N ATOM 846 CA VAL A 55 73.842 3.319 -8.004 1.00 0.00 C ATOM 847 C VAL A 55 75.002 3.679 -8.930 1.00 0.00 C ATOM 848 O VAL A 55 76.089 3.144 -8.794 1.00 0.00 O ATOM 849 CB VAL A 55 74.208 3.662 -6.553 1.00 0.00 C ATOM 850 CG1 VAL A 55 74.403 5.176 -6.410 1.00 0.00 C ATOM 851 CG2 VAL A 55 73.088 3.206 -5.611 1.00 0.00 C ATOM 0 H VAL A 55 74.313 1.301 -7.482 1.00 0.00 H new ATOM 0 HA VAL A 55 72.958 3.864 -8.336 1.00 0.00 H new ATOM 0 HB VAL A 55 75.134 3.149 -6.292 1.00 0.00 H new ATOM 0 HG11 VAL A 55 74.663 5.414 -5.378 1.00 0.00 H new ATOM 0 HG12 VAL A 55 75.206 5.503 -7.071 1.00 0.00 H new ATOM 0 HG13 VAL A 55 73.480 5.689 -6.679 1.00 0.00 H new ATOM 0 HG21 VAL A 55 73.354 3.452 -4.583 1.00 0.00 H new ATOM 0 HG22 VAL A 55 72.160 3.712 -5.877 1.00 0.00 H new ATOM 0 HG23 VAL A 55 72.952 2.128 -5.702 1.00 0.00 H new ATOM 861 N VAL A 56 74.787 4.572 -9.865 1.00 0.00 N ATOM 862 CA VAL A 56 75.908 5.009 -10.753 1.00 0.00 C ATOM 863 C VAL A 56 76.071 6.524 -10.666 1.00 0.00 C ATOM 864 O VAL A 56 75.217 7.276 -11.099 1.00 0.00 O ATOM 865 CB VAL A 56 75.531 4.589 -12.176 1.00 0.00 C ATOM 866 CG1 VAL A 56 76.713 4.888 -13.096 1.00 0.00 C ATOM 867 CG2 VAL A 56 75.229 3.085 -12.223 1.00 0.00 C ATOM 0 H VAL A 56 73.887 5.015 -10.051 1.00 0.00 H new ATOM 0 HA VAL A 56 76.854 4.556 -10.456 1.00 0.00 H new ATOM 0 HB VAL A 56 74.645 5.138 -12.495 1.00 0.00 H new ATOM 0 HG11 VAL A 56 76.463 4.595 -14.116 1.00 0.00 H new ATOM 0 HG12 VAL A 56 76.935 5.955 -13.069 1.00 0.00 H new ATOM 0 HG13 VAL A 56 77.586 4.328 -12.761 1.00 0.00 H new ATOM 0 HG21 VAL A 56 74.962 2.799 -13.240 1.00 0.00 H new ATOM 0 HG22 VAL A 56 76.111 2.527 -11.909 1.00 0.00 H new ATOM 0 HG23 VAL A 56 74.399 2.859 -11.553 1.00 0.00 H new ATOM 877 N LEU A 57 77.163 6.967 -10.108 1.00 0.00 N ATOM 878 CA LEU A 57 77.350 8.427 -9.860 1.00 0.00 C ATOM 879 C LEU A 57 78.693 8.896 -10.424 1.00 0.00 C ATOM 880 O LEU A 57 79.703 8.231 -10.278 1.00 0.00 O ATOM 881 CB LEU A 57 77.278 8.552 -8.341 1.00 0.00 C ATOM 882 CG LEU A 57 75.803 8.620 -7.929 1.00 0.00 C ATOM 883 CD1 LEU A 57 75.619 8.012 -6.542 1.00 0.00 C ATOM 884 CD2 LEU A 57 75.356 10.083 -7.887 1.00 0.00 C ATOM 0 H LEU A 57 77.940 6.377 -9.810 1.00 0.00 H new ATOM 0 HA LEU A 57 76.603 9.052 -10.348 1.00 0.00 H new ATOM 0 HB2 LEU A 57 77.765 7.700 -7.867 1.00 0.00 H new ATOM 0 HB3 LEU A 57 77.806 9.446 -8.009 1.00 0.00 H new ATOM 0 HG LEU A 57 75.207 8.064 -8.653 1.00 0.00 H new ATOM 0 HD11 LEU A 57 74.568 8.065 -6.258 1.00 0.00 H new ATOM 0 HD12 LEU A 57 75.939 6.970 -6.556 1.00 0.00 H new ATOM 0 HD13 LEU A 57 76.218 8.566 -5.819 1.00 0.00 H new ATOM 0 HD21 LEU A 57 74.307 10.135 -7.594 1.00 0.00 H new ATOM 0 HD22 LEU A 57 75.962 10.628 -7.163 1.00 0.00 H new ATOM 0 HD23 LEU A 57 75.480 10.530 -8.874 1.00 0.00 H new ATOM 896 N LYS A 58 78.706 10.037 -11.070 1.00 0.00 N ATOM 897 CA LYS A 58 79.971 10.540 -11.697 1.00 0.00 C ATOM 898 C LYS A 58 80.926 11.070 -10.626 1.00 0.00 C ATOM 899 O LYS A 58 80.512 11.696 -9.667 1.00 0.00 O ATOM 900 CB LYS A 58 79.534 11.676 -12.626 1.00 0.00 C ATOM 901 CG LYS A 58 78.645 11.115 -13.737 1.00 0.00 C ATOM 902 CD LYS A 58 78.305 12.228 -14.731 1.00 0.00 C ATOM 903 CE LYS A 58 77.320 11.698 -15.776 1.00 0.00 C ATOM 904 NZ LYS A 58 78.168 11.309 -16.937 1.00 0.00 N ATOM 0 H LYS A 58 77.895 10.643 -11.191 1.00 0.00 H new ATOM 0 HA LYS A 58 80.500 9.752 -12.233 1.00 0.00 H new ATOM 0 HB2 LYS A 58 78.992 12.434 -12.060 1.00 0.00 H new ATOM 0 HB3 LYS A 58 80.408 12.164 -13.057 1.00 0.00 H new ATOM 0 HG2 LYS A 58 79.156 10.299 -14.249 1.00 0.00 H new ATOM 0 HG3 LYS A 58 77.731 10.701 -13.312 1.00 0.00 H new ATOM 0 HD2 LYS A 58 77.871 13.079 -14.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 79.212 12.584 -15.219 1.00 0.00 H new ATOM 0 HE2 LYS A 58 76.758 10.846 -15.393 1.00 0.00 H new ATOM 0 HE3 LYS A 58 76.592 12.460 -16.056 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 77.565 10.935 -17.697 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 78.686 12.142 -17.283 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 78.846 10.578 -16.642 1.00 0.00 H new ATOM 918 N CYS A 59 82.204 10.822 -10.784 1.00 0.00 N ATOM 919 CA CYS A 59 83.217 11.362 -9.814 1.00 0.00 C ATOM 920 C CYS A 59 83.089 12.887 -9.679 1.00 0.00 C ATOM 921 O CYS A 59 83.343 13.449 -8.630 1.00 0.00 O ATOM 922 CB CYS A 59 84.591 10.983 -10.398 1.00 0.00 C ATOM 923 SG CYS A 59 84.795 11.686 -12.060 1.00 0.00 S ATOM 0 H CYS A 59 82.594 10.267 -11.546 1.00 0.00 H new ATOM 0 HA CYS A 59 83.073 10.949 -8.815 1.00 0.00 H new ATOM 0 HB2 CYS A 59 85.383 11.347 -9.744 1.00 0.00 H new ATOM 0 HB3 CYS A 59 84.687 9.898 -10.442 1.00 0.00 H new ATOM 0 HG CYS A 59 85.961 11.355 -12.531 1.00 0.00 H new ATOM 929 N THR A 60 82.696 13.552 -10.739 1.00 0.00 N ATOM 930 CA THR A 60 82.554 15.043 -10.692 1.00 0.00 C ATOM 931 C THR A 60 81.441 15.442 -9.716 1.00 0.00 C ATOM 932 O THR A 60 81.450 16.530 -9.170 1.00 0.00 O ATOM 933 CB THR A 60 82.190 15.467 -12.119 1.00 0.00 C ATOM 934 OG1 THR A 60 80.964 14.856 -12.496 1.00 0.00 O ATOM 935 CG2 THR A 60 83.297 15.039 -13.085 1.00 0.00 C ATOM 0 H THR A 60 82.467 13.126 -11.637 1.00 0.00 H new ATOM 0 HA THR A 60 83.469 15.526 -10.349 1.00 0.00 H new ATOM 0 HB THR A 60 82.082 16.551 -12.157 1.00 0.00 H new ATOM 0 HG1 THR A 60 80.730 15.128 -13.408 1.00 0.00 H new ATOM 0 HG21 THR A 60 83.033 15.343 -14.098 1.00 0.00 H new ATOM 0 HG22 THR A 60 84.235 15.513 -12.797 1.00 0.00 H new ATOM 0 HG23 THR A 60 83.412 13.956 -13.049 1.00 0.00 H new ATOM 943 N ASP A 61 80.486 14.569 -9.496 1.00 0.00 N ATOM 944 CA ASP A 61 79.386 14.877 -8.532 1.00 0.00 C ATOM 945 C ASP A 61 79.778 14.433 -7.116 1.00 0.00 C ATOM 946 O ASP A 61 79.255 14.936 -6.138 1.00 0.00 O ATOM 947 CB ASP A 61 78.178 14.082 -9.034 1.00 0.00 C ATOM 948 CG ASP A 61 77.770 14.576 -10.426 1.00 0.00 C ATOM 949 OD1 ASP A 61 77.984 15.745 -10.710 1.00 0.00 O ATOM 950 OD2 ASP A 61 77.251 13.776 -11.187 1.00 0.00 O ATOM 0 H ASP A 61 80.423 13.655 -9.944 1.00 0.00 H new ATOM 0 HA ASP A 61 79.173 15.945 -8.479 1.00 0.00 H new ATOM 0 HB2 ASP A 61 78.421 13.020 -9.072 1.00 0.00 H new ATOM 0 HB3 ASP A 61 77.345 14.193 -8.340 1.00 0.00 H new ATOM 955 N ILE A 62 80.691 13.496 -7.002 1.00 0.00 N ATOM 956 CA ILE A 62 81.163 13.058 -5.651 1.00 0.00 C ATOM 957 C ILE A 62 82.207 14.046 -5.119 1.00 0.00 C ATOM 958 O ILE A 62 83.012 14.570 -5.867 1.00 0.00 O ATOM 959 CB ILE A 62 81.789 11.673 -5.870 1.00 0.00 C ATOM 960 CG1 ILE A 62 80.740 10.717 -6.448 1.00 0.00 C ATOM 961 CG2 ILE A 62 82.295 11.117 -4.536 1.00 0.00 C ATOM 962 CD1 ILE A 62 81.406 9.391 -6.821 1.00 0.00 C ATOM 0 H ILE A 62 81.129 13.016 -7.788 1.00 0.00 H new ATOM 0 HA ILE A 62 80.354 13.021 -4.921 1.00 0.00 H new ATOM 0 HB ILE A 62 82.622 11.766 -6.566 1.00 0.00 H new ATOM 0 HG12 ILE A 62 79.948 10.546 -5.719 1.00 0.00 H new ATOM 0 HG13 ILE A 62 80.273 11.161 -7.327 1.00 0.00 H new ATOM 0 HG21 ILE A 62 82.738 10.134 -4.696 1.00 0.00 H new ATOM 0 HG22 ILE A 62 83.045 11.791 -4.122 1.00 0.00 H new ATOM 0 HG23 ILE A 62 81.462 11.030 -3.839 1.00 0.00 H new ATOM 0 HD11 ILE A 62 80.659 8.712 -7.232 1.00 0.00 H new ATOM 0 HD12 ILE A 62 82.182 9.570 -7.565 1.00 0.00 H new ATOM 0 HD13 ILE A 62 81.852 8.945 -5.932 1.00 0.00 H new ATOM 974 N ARG A 63 82.193 14.300 -3.833 1.00 0.00 N ATOM 975 CA ARG A 63 83.163 15.269 -3.240 1.00 0.00 C ATOM 976 C ARG A 63 84.318 14.520 -2.571 1.00 0.00 C ATOM 977 O ARG A 63 85.442 14.989 -2.560 1.00 0.00 O ATOM 978 CB ARG A 63 82.357 16.058 -2.206 1.00 0.00 C ATOM 979 CG ARG A 63 83.224 17.180 -1.632 1.00 0.00 C ATOM 980 CD ARG A 63 83.407 18.276 -2.685 1.00 0.00 C ATOM 981 NE ARG A 63 84.307 19.284 -2.042 1.00 0.00 N ATOM 982 CZ ARG A 63 85.610 19.083 -1.929 1.00 0.00 C ATOM 983 NH1 ARG A 63 86.188 17.988 -2.375 1.00 0.00 N ATOM 984 NH2 ARG A 63 86.344 19.999 -1.358 1.00 0.00 N ATOM 0 H ARG A 63 81.548 13.875 -3.167 1.00 0.00 H new ATOM 0 HA ARG A 63 83.606 15.923 -3.992 1.00 0.00 H new ATOM 0 HB2 ARG A 63 81.462 16.475 -2.668 1.00 0.00 H new ATOM 0 HB3 ARG A 63 82.024 15.396 -1.407 1.00 0.00 H new ATOM 0 HG2 ARG A 63 82.756 17.594 -0.739 1.00 0.00 H new ATOM 0 HG3 ARG A 63 84.194 16.786 -1.330 1.00 0.00 H new ATOM 0 HD2 ARG A 63 83.850 17.877 -3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 63 82.451 18.720 -2.962 1.00 0.00 H new ATOM 0 HE ARG A 63 83.905 20.149 -1.681 1.00 0.00 H new ATOM 0 HH11 ARG A 63 85.629 17.263 -2.824 1.00 0.00 H new ATOM 0 HH12 ARG A 63 87.195 17.865 -2.272 1.00 0.00 H new ATOM 0 HH21 ARG A 63 85.912 20.854 -1.007 1.00 0.00 H new ATOM 0 HH22 ARG A 63 87.350 19.860 -1.263 1.00 0.00 H new ATOM 998 N SER A 64 84.051 13.359 -2.016 1.00 0.00 N ATOM 999 CA SER A 64 85.140 12.573 -1.354 1.00 0.00 C ATOM 1000 C SER A 64 84.734 11.103 -1.215 1.00 0.00 C ATOM 1001 O SER A 64 83.565 10.782 -1.129 1.00 0.00 O ATOM 1002 CB SER A 64 85.318 13.215 0.021 1.00 0.00 C ATOM 1003 OG SER A 64 86.420 12.609 0.683 1.00 0.00 O ATOM 0 H SER A 64 83.129 12.924 -1.994 1.00 0.00 H new ATOM 0 HA SER A 64 86.064 12.589 -1.932 1.00 0.00 H new ATOM 0 HB2 SER A 64 85.487 14.287 -0.084 1.00 0.00 H new ATOM 0 HB3 SER A 64 84.411 13.092 0.613 1.00 0.00 H new ATOM 0 HG SER A 64 86.538 13.020 1.565 1.00 0.00 H new ATOM 1009 N ILE A 65 85.698 10.212 -1.192 1.00 0.00 N ATOM 1010 CA ILE A 65 85.378 8.750 -1.104 1.00 0.00 C ATOM 1011 C ILE A 65 86.346 8.062 -0.137 1.00 0.00 C ATOM 1012 O ILE A 65 87.496 8.444 -0.017 1.00 0.00 O ATOM 1013 CB ILE A 65 85.548 8.190 -2.523 1.00 0.00 C ATOM 1014 CG1 ILE A 65 84.638 8.947 -3.501 1.00 0.00 C ATOM 1015 CG2 ILE A 65 85.175 6.702 -2.525 1.00 0.00 C ATOM 1016 CD1 ILE A 65 84.897 8.461 -4.930 1.00 0.00 C ATOM 0 H ILE A 65 86.693 10.434 -1.230 1.00 0.00 H new ATOM 0 HA ILE A 65 84.368 8.580 -0.732 1.00 0.00 H new ATOM 0 HB ILE A 65 86.585 8.313 -2.836 1.00 0.00 H new ATOM 0 HG12 ILE A 65 83.592 8.788 -3.237 1.00 0.00 H new ATOM 0 HG13 ILE A 65 84.825 10.019 -3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 65 85.294 6.298 -3.531 1.00 0.00 H new ATOM 0 HG22 ILE A 65 85.827 6.163 -1.838 1.00 0.00 H new ATOM 0 HG23 ILE A 65 84.139 6.586 -2.208 1.00 0.00 H new ATOM 0 HD11 ILE A 65 84.249 9.001 -5.621 1.00 0.00 H new ATOM 0 HD12 ILE A 65 85.939 8.643 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 65 84.687 7.393 -4.995 1.00 0.00 H new ATOM 1028 N ASP A 66 85.880 7.050 0.552 1.00 0.00 N ATOM 1029 CA ASP A 66 86.764 6.302 1.501 1.00 0.00 C ATOM 1030 C ASP A 66 86.523 4.793 1.384 1.00 0.00 C ATOM 1031 O ASP A 66 85.396 4.340 1.439 1.00 0.00 O ATOM 1032 CB ASP A 66 86.365 6.809 2.893 1.00 0.00 C ATOM 1033 CG ASP A 66 84.881 6.529 3.160 1.00 0.00 C ATOM 1034 OD1 ASP A 66 84.061 7.023 2.405 1.00 0.00 O ATOM 1035 OD2 ASP A 66 84.592 5.826 4.114 1.00 0.00 O ATOM 0 H ASP A 66 84.921 6.708 0.498 1.00 0.00 H new ATOM 0 HA ASP A 66 87.822 6.464 1.294 1.00 0.00 H new ATOM 0 HB2 ASP A 66 86.976 6.322 3.653 1.00 0.00 H new ATOM 0 HB3 ASP A 66 86.558 7.879 2.966 1.00 0.00 H new ATOM 1040 N LEU A 67 87.569 4.019 1.222 1.00 0.00 N ATOM 1041 CA LEU A 67 87.413 2.529 1.254 1.00 0.00 C ATOM 1042 C LEU A 67 87.265 2.057 2.703 1.00 0.00 C ATOM 1043 O LEU A 67 88.187 2.163 3.492 1.00 0.00 O ATOM 1044 CB LEU A 67 88.708 1.979 0.644 1.00 0.00 C ATOM 1045 CG LEU A 67 88.598 1.953 -0.893 1.00 0.00 C ATOM 1046 CD1 LEU A 67 89.884 2.502 -1.515 1.00 0.00 C ATOM 1047 CD2 LEU A 67 88.389 0.511 -1.372 1.00 0.00 C ATOM 0 H LEU A 67 88.521 4.352 1.070 1.00 0.00 H new ATOM 0 HA LEU A 67 86.532 2.190 0.709 1.00 0.00 H new ATOM 0 HB2 LEU A 67 89.553 2.598 0.946 1.00 0.00 H new ATOM 0 HB3 LEU A 67 88.898 0.974 1.020 1.00 0.00 H new ATOM 0 HG LEU A 67 87.752 2.569 -1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 67 89.800 2.481 -2.602 1.00 0.00 H new ATOM 0 HD12 LEU A 67 90.040 3.528 -1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 67 90.729 1.888 -1.204 1.00 0.00 H new ATOM 0 HD21 LEU A 67 88.312 0.496 -2.459 1.00 0.00 H new ATOM 0 HD22 LEU A 67 89.234 -0.102 -1.060 1.00 0.00 H new ATOM 0 HD23 LEU A 67 87.472 0.113 -0.938 1.00 0.00 H new ATOM 1059 N ILE A 68 86.115 1.535 3.056 1.00 0.00 N ATOM 1060 CA ILE A 68 85.903 1.038 4.454 1.00 0.00 C ATOM 1061 C ILE A 68 86.562 -0.333 4.622 1.00 0.00 C ATOM 1062 O ILE A 68 87.228 -0.598 5.606 1.00 0.00 O ATOM 1063 CB ILE A 68 84.380 0.936 4.622 1.00 0.00 C ATOM 1064 CG1 ILE A 68 83.742 2.312 4.398 1.00 0.00 C ATOM 1065 CG2 ILE A 68 84.047 0.455 6.038 1.00 0.00 C ATOM 1066 CD1 ILE A 68 82.218 2.177 4.397 1.00 0.00 C ATOM 0 H ILE A 68 85.312 1.431 2.436 1.00 0.00 H new ATOM 0 HA ILE A 68 86.343 1.699 5.201 1.00 0.00 H new ATOM 0 HB ILE A 68 83.989 0.227 3.892 1.00 0.00 H new ATOM 0 HG12 ILE A 68 84.056 3.001 5.182 1.00 0.00 H new ATOM 0 HG13 ILE A 68 84.081 2.731 3.451 1.00 0.00 H new ATOM 0 HG21 ILE A 68 82.965 0.384 6.153 1.00 0.00 H new ATOM 0 HG22 ILE A 68 84.495 -0.525 6.204 1.00 0.00 H new ATOM 0 HG23 ILE A 68 84.444 1.163 6.766 1.00 0.00 H new ATOM 0 HD11 ILE A 68 81.766 3.156 4.238 1.00 0.00 H new ATOM 0 HD12 ILE A 68 81.913 1.502 3.597 1.00 0.00 H new ATOM 0 HD13 ILE A 68 81.888 1.777 5.355 1.00 0.00 H new ATOM 1078 N GLU A 69 86.373 -1.202 3.663 1.00 0.00 N ATOM 1079 CA GLU A 69 86.960 -2.574 3.747 1.00 0.00 C ATOM 1080 C GLU A 69 87.553 -2.969 2.384 1.00 0.00 C ATOM 1081 O GLU A 69 86.838 -3.457 1.532 1.00 0.00 O ATOM 1082 CB GLU A 69 85.789 -3.487 4.110 1.00 0.00 C ATOM 1083 CG GLU A 69 85.407 -3.269 5.575 1.00 0.00 C ATOM 1084 CD GLU A 69 86.455 -3.920 6.479 1.00 0.00 C ATOM 1085 OE1 GLU A 69 86.941 -4.980 6.120 1.00 0.00 O ATOM 1086 OE2 GLU A 69 86.753 -3.349 7.515 1.00 0.00 O ATOM 0 H GLU A 69 85.832 -1.019 2.818 1.00 0.00 H new ATOM 0 HA GLU A 69 87.764 -2.640 4.480 1.00 0.00 H new ATOM 0 HB2 GLU A 69 84.936 -3.276 3.465 1.00 0.00 H new ATOM 0 HB3 GLU A 69 86.062 -4.529 3.946 1.00 0.00 H new ATOM 0 HG2 GLU A 69 85.339 -2.202 5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 69 84.424 -3.697 5.773 1.00 0.00 H new