USER MOD reduce.3.24.130724 H: found=0, std=0, add=331, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 333 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 305 THR OG1 : rot -81:sc= 1.29 USER MOD Set 1.2: A 307 GLN : amide:sc= -0.685 K(o=0.61,f=-6.4!) USER MOD Set 2.1: A 291 THR OG1 : rot 103:sc= 0.216 USER MOD Set 2.2: A 293 SER OG : rot 180:sc= 0.077 USER MOD Single : A 290 SER OG : rot 180:sc= 0 USER MOD Single : A 297 TYR OH : rot 180:sc= -0.134 USER MOD Single : A 301 HIS : no HE2:sc= -12.3! C(o=-12!,f=-6.5!) USER MOD Single : A 302 ASN : amide:sc= 0 X(o=0,f=-0.032) USER MOD Single : A 303 ASN : amide:sc= 0.539 K(o=0.54,f=0) USER MOD Single : A 306 THR OG1 : rot 180:sc= 0 USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 23:sc= 0.336 USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 43 N LEU A 282 -8.940 6.948 2.712 1.00 15.00 N ATOM 44 CA LEU A 282 -7.589 6.488 3.004 1.00 15.00 C ATOM 45 C LEU A 282 -7.286 6.762 4.476 1.00 15.00 C ATOM 46 O LEU A 282 -7.130 7.915 4.875 1.00 15.00 O ATOM 47 CB LEU A 282 -6.558 7.193 2.113 1.00 15.00 C ATOM 48 CG LEU A 282 -5.093 6.823 2.387 1.00 15.00 C ATOM 49 CD1 LEU A 282 -4.784 5.413 1.911 1.00 15.00 C ATOM 50 CD2 LEU A 282 -4.153 7.817 1.730 1.00 15.00 C ATOM 0 HA LEU A 282 -7.525 5.419 2.800 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -6.785 6.964 1.072 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -6.673 8.270 2.235 1.00 15.00 H new ATOM 0 HG LEU A 282 -4.940 6.860 3.466 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -3.740 5.180 2.118 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -5.425 4.704 2.434 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -4.965 5.343 0.838 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -3.121 7.534 1.938 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -4.319 7.817 0.653 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -4.343 8.814 2.127 1.00 15.00 H new ATOM 62 N PRO A 283 -7.240 5.712 5.306 1.00 15.00 N ATOM 63 CA PRO A 283 -7.065 5.855 6.755 1.00 15.00 C ATOM 64 C PRO A 283 -5.687 6.399 7.133 1.00 15.00 C ATOM 65 O PRO A 283 -4.667 5.916 6.644 1.00 15.00 O ATOM 66 CB PRO A 283 -7.232 4.421 7.286 1.00 15.00 C ATOM 67 CG PRO A 283 -7.847 3.651 6.166 1.00 15.00 C ATOM 68 CD PRO A 283 -7.358 4.303 4.909 1.00 15.00 C ATOM 0 HA PRO A 283 -7.777 6.567 7.173 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -6.271 3.995 7.574 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.868 4.402 8.171 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.552 2.602 6.203 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.935 3.678 6.223 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.402 3.892 4.584 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.059 4.171 4.085 1.00 15.00 H new ATOM 76 N PRO A 284 -5.647 7.422 8.004 1.00 15.00 N ATOM 77 CA PRO A 284 -4.390 7.965 8.527 1.00 15.00 C ATOM 78 C PRO A 284 -3.551 6.882 9.199 1.00 15.00 C ATOM 79 O PRO A 284 -4.004 6.227 10.138 1.00 15.00 O ATOM 80 CB PRO A 284 -4.843 9.011 9.547 1.00 15.00 C ATOM 81 CG PRO A 284 -6.223 9.382 9.127 1.00 15.00 C ATOM 82 CD PRO A 284 -6.820 8.136 8.536 1.00 15.00 C ATOM 0 HA PRO A 284 -3.758 8.380 7.742 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.833 8.606 10.559 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -4.182 9.878 9.544 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.810 9.732 9.977 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -6.205 10.191 8.397 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.345 7.545 9.287 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.541 8.367 7.752 1.00 15.00 H new ATOM 90 N GLY A 285 -2.340 6.688 8.703 1.00 15.00 N ATOM 91 CA GLY A 285 -1.509 5.600 9.178 1.00 15.00 C ATOM 92 C GLY A 285 -1.205 4.634 8.057 1.00 15.00 C ATOM 93 O GLY A 285 -0.303 3.803 8.154 1.00 15.00 O ATOM 0 H GLY A 285 -1.915 7.266 7.978 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.579 5.997 9.586 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -2.015 5.076 9.989 1.00 15.00 H new ATOM 97 N TRP A 286 -1.974 4.759 6.988 1.00 15.00 N ATOM 98 CA TRP A 286 -1.762 3.978 5.784 1.00 15.00 C ATOM 99 C TRP A 286 -0.824 4.702 4.852 1.00 15.00 C ATOM 100 O TRP A 286 -1.171 5.747 4.298 1.00 15.00 O ATOM 101 CB TRP A 286 -3.093 3.741 5.050 1.00 15.00 C ATOM 102 CG TRP A 286 -3.884 2.590 5.582 1.00 15.00 C ATOM 103 CD1 TRP A 286 -4.222 2.354 6.882 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.423 1.502 4.819 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.922 1.178 6.982 1.00 15.00 N ATOM 106 CE2 TRP A 286 -5.053 0.631 5.732 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.430 1.167 3.453 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.674 -0.550 5.331 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.042 -0.010 3.067 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.648 -0.858 4.000 1.00 15.00 C ATOM 0 H TRP A 286 -2.762 5.405 6.932 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.331 3.021 6.078 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.698 4.645 5.115 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.888 3.570 3.993 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.975 2.999 7.712 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -5.286 0.776 7.846 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -3.968 1.815 2.723 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -6.158 -1.198 6.046 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.053 -0.281 2.022 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -6.105 -1.776 3.661 1.00 15.00 H new ATOM 121 N GLU A 287 0.366 4.169 4.688 1.00 15.00 N ATOM 122 CA GLU A 287 1.242 4.669 3.671 1.00 15.00 C ATOM 123 C GLU A 287 0.990 3.884 2.402 1.00 15.00 C ATOM 124 O GLU A 287 1.239 2.683 2.334 1.00 15.00 O ATOM 125 CB GLU A 287 2.703 4.592 4.110 1.00 15.00 C ATOM 126 CG GLU A 287 3.180 5.846 4.828 1.00 15.00 C ATOM 127 CD GLU A 287 2.432 6.125 6.114 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.561 5.328 7.064 1.00 15.00 O1- ATOM 129 OE2 GLU A 287 1.737 7.161 6.186 1.00 15.00 O ATOM 0 H GLU A 287 0.740 3.399 5.242 1.00 15.00 H new ATOM 0 HA GLU A 287 1.037 5.724 3.488 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.833 3.733 4.768 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.330 4.421 3.235 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.243 5.747 5.049 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.072 6.701 4.161 1.00 15.00 H new ATOM 136 N VAL A 288 0.444 4.557 1.417 1.00 15.00 N ATOM 137 CA VAL A 288 0.100 3.914 0.171 1.00 15.00 C ATOM 138 C VAL A 288 1.279 3.985 -0.782 1.00 15.00 C ATOM 139 O VAL A 288 1.654 5.059 -1.256 1.00 15.00 O ATOM 140 CB VAL A 288 -1.178 4.538 -0.456 1.00 15.00 C ATOM 141 CG1 VAL A 288 -1.364 5.983 -0.019 1.00 15.00 C ATOM 142 CG2 VAL A 288 -1.147 4.448 -1.971 1.00 15.00 C ATOM 0 H VAL A 288 0.228 5.553 1.455 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.126 2.866 0.368 1.00 15.00 H new ATOM 0 HB VAL A 288 -2.028 3.961 -0.093 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -2.267 6.388 -0.476 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -1.456 6.026 1.066 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -0.503 6.572 -0.334 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -2.054 4.893 -2.381 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.277 4.985 -2.350 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -1.088 3.402 -2.272 1.00 15.00 H new ATOM 152 N ARG A 289 1.891 2.836 -1.024 1.00 15.00 N ATOM 153 CA ARG A 289 3.048 2.781 -1.883 1.00 15.00 C ATOM 154 C ARG A 289 2.593 2.300 -3.252 1.00 15.00 C ATOM 155 O ARG A 289 2.247 1.136 -3.447 1.00 15.00 O ATOM 156 CB ARG A 289 4.134 1.886 -1.257 1.00 15.00 C ATOM 157 CG ARG A 289 5.563 2.216 -1.692 1.00 15.00 C ATOM 158 CD ARG A 289 5.806 1.963 -3.174 1.00 15.00 C ATOM 159 NE ARG A 289 7.168 2.316 -3.577 1.00 15.00 N ATOM 160 CZ ARG A 289 8.062 1.449 -4.059 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.794 0.151 -4.081 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.236 1.887 -4.489 1.00 15.00 N ATOM 0 H ARG A 289 1.603 1.937 -0.637 1.00 15.00 H new ATOM 0 HA ARG A 289 3.502 3.765 -2.000 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.071 1.967 -0.172 1.00 15.00 H new ATOM 0 HB3 ARG A 289 3.922 0.848 -1.512 1.00 15.00 H new ATOM 0 HG2 ARG A 289 5.773 3.262 -1.468 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.262 1.618 -1.107 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.624 0.912 -3.396 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.093 2.541 -3.762 1.00 15.00 H new ATOM 0 HE ARG A 289 7.454 3.291 -3.483 1.00 15.00 H new ATOM 0 HH11 ARG A 289 6.900 -0.191 -3.728 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.482 -0.506 -4.451 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.454 2.883 -4.451 1.00 15.00 H new ATOM 0 HH22 ARG A 289 9.922 1.228 -4.858 1.00 15.00 H new ATOM 176 N SER A 290 2.524 3.237 -4.173 1.00 15.00 N ATOM 177 CA SER A 290 1.984 2.984 -5.489 1.00 15.00 C ATOM 178 C SER A 290 3.114 2.847 -6.495 1.00 15.00 C ATOM 179 O SER A 290 4.102 3.583 -6.441 1.00 15.00 O ATOM 180 CB SER A 290 1.054 4.134 -5.857 1.00 15.00 C ATOM 181 OG SER A 290 0.516 3.987 -7.161 1.00 15.00 O ATOM 0 H SER A 290 2.841 4.196 -4.029 1.00 15.00 H new ATOM 0 HA SER A 290 1.420 2.051 -5.497 1.00 15.00 H new ATOM 0 HB2 SER A 290 0.241 4.188 -5.133 1.00 15.00 H new ATOM 0 HB3 SER A 290 1.600 5.076 -5.794 1.00 15.00 H new ATOM 0 HG SER A 290 -0.076 4.743 -7.358 1.00 15.00 H new ATOM 187 N THR A 291 2.976 1.907 -7.415 1.00 15.00 N ATOM 188 CA THR A 291 4.031 1.653 -8.373 1.00 15.00 C ATOM 189 C THR A 291 3.513 1.722 -9.813 1.00 15.00 C ATOM 190 O THR A 291 2.417 1.233 -10.122 1.00 15.00 O ATOM 191 CB THR A 291 4.714 0.301 -8.089 1.00 15.00 C ATOM 192 OG1 THR A 291 3.741 -0.752 -8.078 1.00 15.00 O ATOM 193 CG2 THR A 291 5.429 0.342 -6.743 1.00 15.00 C ATOM 0 H THR A 291 2.152 1.314 -7.516 1.00 15.00 H new ATOM 0 HA THR A 291 4.778 2.439 -8.261 1.00 15.00 H new ATOM 0 HB THR A 291 5.443 0.112 -8.877 1.00 15.00 H new ATOM 0 HG1 THR A 291 3.794 -1.255 -8.917 1.00 15.00 H new ATOM 0 HG21 THR A 291 5.907 -0.620 -6.555 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.185 1.127 -6.757 1.00 15.00 H new ATOM 0 HG23 THR A 291 4.706 0.548 -5.953 1.00 15.00 H new ATOM 201 N VAL A 292 4.328 2.334 -10.682 1.00 15.00 N ATOM 202 CA VAL A 292 3.952 2.644 -12.070 1.00 15.00 C ATOM 203 C VAL A 292 3.595 1.389 -12.879 1.00 15.00 C ATOM 204 O VAL A 292 2.962 1.476 -13.934 1.00 15.00 O ATOM 205 CB VAL A 292 5.093 3.405 -12.789 1.00 15.00 C ATOM 206 CG1 VAL A 292 4.628 3.949 -14.131 1.00 15.00 C ATOM 207 CG2 VAL A 292 5.620 4.533 -11.913 1.00 15.00 C ATOM 0 H VAL A 292 5.274 2.631 -10.441 1.00 15.00 H new ATOM 0 HA VAL A 292 3.063 3.272 -12.014 1.00 15.00 H new ATOM 0 HB VAL A 292 5.903 2.699 -12.972 1.00 15.00 H new ATOM 0 HG11 VAL A 292 5.450 4.479 -14.613 1.00 15.00 H new ATOM 0 HG12 VAL A 292 4.305 3.124 -14.766 1.00 15.00 H new ATOM 0 HG13 VAL A 292 3.795 4.635 -13.977 1.00 15.00 H new ATOM 0 HG21 VAL A 292 6.421 5.056 -12.436 1.00 15.00 H new ATOM 0 HG22 VAL A 292 4.812 5.232 -11.695 1.00 15.00 H new ATOM 0 HG23 VAL A 292 6.004 4.120 -10.980 1.00 15.00 H new ATOM 217 N SER A 293 3.981 0.226 -12.372 1.00 15.00 N ATOM 218 CA SER A 293 3.623 -1.051 -12.986 1.00 15.00 C ATOM 219 C SER A 293 2.102 -1.238 -13.019 1.00 15.00 C ATOM 220 O SER A 293 1.582 -2.126 -13.699 1.00 15.00 O ATOM 221 CB SER A 293 4.301 -2.199 -12.243 1.00 15.00 C ATOM 222 OG SER A 293 4.202 -2.020 -10.841 1.00 15.00 O ATOM 0 H SER A 293 4.548 0.138 -11.529 1.00 15.00 H new ATOM 0 HA SER A 293 3.976 -1.051 -14.017 1.00 15.00 H new ATOM 0 HB2 SER A 293 3.839 -3.145 -12.527 1.00 15.00 H new ATOM 0 HB3 SER A 293 5.350 -2.257 -12.533 1.00 15.00 H new ATOM 0 HG SER A 293 4.641 -2.767 -10.384 1.00 15.00 H new ATOM 228 N GLY A 294 1.402 -0.414 -12.248 1.00 15.00 N ATOM 229 CA GLY A 294 -0.040 -0.472 -12.209 1.00 15.00 C ATOM 230 C GLY A 294 -0.538 -1.410 -11.141 1.00 15.00 C ATOM 231 O GLY A 294 -1.432 -2.223 -11.379 1.00 15.00 O ATOM 0 H GLY A 294 1.816 0.298 -11.646 1.00 15.00 H new ATOM 0 HA2 GLY A 294 -0.438 0.527 -12.029 1.00 15.00 H new ATOM 0 HA3 GLY A 294 -0.416 -0.795 -13.180 1.00 15.00 H new ATOM 235 N ARG A 295 0.056 -1.311 -9.965 1.00 15.00 N ATOM 236 CA ARG A 295 -0.369 -2.117 -8.835 1.00 15.00 C ATOM 237 C ARG A 295 -0.231 -1.333 -7.540 1.00 15.00 C ATOM 238 O ARG A 295 0.810 -0.721 -7.273 1.00 15.00 O ATOM 239 CB ARG A 295 0.432 -3.423 -8.760 1.00 15.00 C ATOM 240 CG ARG A 295 1.930 -3.224 -8.623 1.00 15.00 C ATOM 241 CD ARG A 295 2.658 -4.553 -8.556 1.00 15.00 C ATOM 242 NE ARG A 295 4.096 -4.384 -8.367 1.00 15.00 N ATOM 243 CZ ARG A 295 5.008 -5.248 -8.817 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.633 -6.336 -9.478 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 6.297 -5.037 -8.590 1.00 15.00 N ATOM 0 H ARG A 295 0.834 -0.681 -9.768 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.419 -2.372 -8.977 1.00 15.00 H new ATOM 0 HB2 ARG A 295 0.075 -4.007 -7.912 1.00 15.00 H new ATOM 0 HB3 ARG A 295 0.235 -4.010 -9.657 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.301 -2.646 -9.469 1.00 15.00 H new ATOM 0 HG3 ARG A 295 2.142 -2.645 -7.724 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.253 -5.147 -7.737 1.00 15.00 H new ATOM 0 HD3 ARG A 295 2.477 -5.112 -9.474 1.00 15.00 H new ATOM 0 HE ARG A 295 4.422 -3.559 -7.863 1.00 15.00 H new ATOM 0 HH11 ARG A 295 3.643 -6.516 -9.645 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.335 -6.993 -9.819 1.00 15.00 H new ATOM 0 HH21 ARG A 295 6.595 -4.212 -8.070 1.00 15.00 H new ATOM 0 HH22 ARG A 295 6.991 -5.700 -8.936 1.00 15.00 H new ATOM 259 N ILE A 296 -1.288 -1.343 -6.750 1.00 15.00 N ATOM 260 CA ILE A 296 -1.264 -0.724 -5.442 1.00 15.00 C ATOM 261 C ILE A 296 -0.807 -1.753 -4.418 1.00 15.00 C ATOM 262 O ILE A 296 -1.177 -2.925 -4.515 1.00 15.00 O ATOM 263 CB ILE A 296 -2.661 -0.169 -5.051 1.00 15.00 C ATOM 264 CG1 ILE A 296 -2.564 0.681 -3.792 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.677 -1.283 -4.847 1.00 15.00 C ATOM 266 CD1 ILE A 296 -1.841 1.982 -4.017 1.00 15.00 C ATOM 0 H ILE A 296 -2.178 -1.776 -6.995 1.00 15.00 H new ATOM 0 HA ILE A 296 -0.571 0.117 -5.465 1.00 15.00 H new ATOM 0 HB ILE A 296 -3.006 0.451 -5.879 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -3.568 0.889 -3.422 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -2.049 0.115 -3.016 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.640 -0.852 -4.575 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.782 -1.853 -5.770 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.337 -1.944 -4.050 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -1.804 2.544 -3.084 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -0.826 1.780 -4.359 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -2.369 2.566 -4.771 1.00 15.00 H new ATOM 278 N TYR A 297 0.025 -1.346 -3.469 1.00 15.00 N ATOM 279 CA TYR A 297 0.484 -2.277 -2.457 1.00 15.00 C ATOM 280 C TYR A 297 0.757 -1.495 -1.192 1.00 15.00 C ATOM 281 O TYR A 297 1.442 -0.459 -1.195 1.00 15.00 O ATOM 282 CB TYR A 297 1.693 -3.132 -2.911 1.00 15.00 C ATOM 283 CG TYR A 297 3.065 -2.571 -2.622 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.593 -1.536 -3.372 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.839 -3.098 -1.589 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.847 -1.036 -3.099 1.00 15.00 C ATOM 287 CE2 TYR A 297 5.091 -2.597 -1.312 1.00 15.00 C ATOM 288 CZ TYR A 297 5.588 -1.565 -2.064 1.00 15.00 C ATOM 289 OH TYR A 297 6.839 -1.066 -1.789 1.00 15.00 O ATOM 0 H TYR A 297 0.388 -0.397 -3.381 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.297 -3.013 -2.270 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.617 -4.109 -2.434 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.611 -3.294 -3.986 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.015 -1.115 -4.181 1.00 15.00 H new ATOM 0 HD2 TYR A 297 3.450 -3.913 -0.996 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.249 -0.230 -3.695 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.678 -3.015 -0.507 1.00 15.00 H new ATOM 0 HH TYR A 297 7.224 -1.550 -1.029 1.00 15.00 H new ATOM 299 N PHE A 298 0.178 -1.963 -0.125 1.00 15.00 N ATOM 300 CA PHE A 298 0.137 -1.206 1.074 1.00 15.00 C ATOM 301 C PHE A 298 1.209 -1.519 2.049 1.00 15.00 C ATOM 302 O PHE A 298 1.528 -2.680 2.305 1.00 15.00 O ATOM 303 CB PHE A 298 -1.194 -1.354 1.724 1.00 15.00 C ATOM 304 CG PHE A 298 -1.979 -0.169 1.413 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.628 1.026 1.994 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.019 -0.220 0.517 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.311 2.161 1.699 1.00 15.00 C ATOM 308 CE2 PHE A 298 -3.711 0.918 0.217 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.353 2.101 0.814 1.00 15.00 C ATOM 0 H PHE A 298 -0.274 -2.876 -0.070 1.00 15.00 H new ATOM 0 HA PHE A 298 0.311 -0.174 0.769 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.697 -2.251 1.362 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.082 -1.465 2.803 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -0.803 1.062 2.690 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.288 -1.157 0.052 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.036 3.100 2.157 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -4.532 0.888 -0.484 1.00 15.00 H new ATOM 0 HZ PHE A 298 -3.904 3.000 0.581 1.00 15.00 H new ATOM 319 N VAL A 299 1.679 -0.435 2.637 1.00 15.00 N ATOM 320 CA VAL A 299 2.690 -0.459 3.644 1.00 15.00 C ATOM 321 C VAL A 299 2.199 0.351 4.853 1.00 15.00 C ATOM 322 O VAL A 299 2.350 1.575 4.939 1.00 15.00 O ATOM 323 CB VAL A 299 4.045 0.084 3.100 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.504 -0.720 1.892 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.947 1.545 2.702 1.00 15.00 C ATOM 0 H VAL A 299 1.351 0.504 2.412 1.00 15.00 H new ATOM 0 HA VAL A 299 2.873 -1.488 3.953 1.00 15.00 H new ATOM 0 HB VAL A 299 4.769 -0.014 3.909 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.452 -0.323 1.529 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.634 -1.764 2.178 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.756 -0.650 1.103 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.912 1.886 2.328 1.00 15.00 H new ATOM 0 HG22 VAL A 299 3.194 1.660 1.922 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.664 2.140 3.570 1.00 15.00 H new ATOM 335 N ASP A 300 1.542 -0.320 5.769 1.00 15.00 N ATOM 336 CA ASP A 300 1.140 0.334 6.996 1.00 15.00 C ATOM 337 C ASP A 300 2.266 0.156 7.988 1.00 15.00 C ATOM 338 O ASP A 300 2.652 -0.969 8.316 1.00 15.00 O ATOM 339 CB ASP A 300 -0.197 -0.216 7.521 1.00 15.00 C ATOM 340 CG ASP A 300 -0.132 -0.679 8.965 1.00 15.00 C ATOM 341 OD1 ASP A 300 -0.104 0.172 9.884 1.00 15.00 O1- ATOM 342 OD2 ASP A 300 -0.096 -1.900 9.187 1.00 15.00 O ATOM 0 H ASP A 300 1.277 -1.302 5.693 1.00 15.00 H new ATOM 0 HA ASP A 300 0.964 1.396 6.824 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.961 0.556 7.429 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.510 -1.050 6.893 1.00 15.00 H new ATOM 347 N HIS A 301 2.832 1.273 8.414 1.00 15.00 N ATOM 348 CA HIS A 301 4.067 1.245 9.175 1.00 15.00 C ATOM 349 C HIS A 301 3.806 0.986 10.656 1.00 15.00 C ATOM 350 O HIS A 301 4.738 0.719 11.411 1.00 15.00 O ATOM 351 CB HIS A 301 4.851 2.558 9.043 1.00 15.00 C ATOM 352 CG HIS A 301 5.153 3.031 7.650 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.347 4.355 7.364 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.423 2.366 6.503 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.729 4.484 6.116 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.799 3.291 5.561 1.00 15.00 N ATOM 0 H HIS A 301 2.457 2.206 8.246 1.00 15.00 H new ATOM 0 HA HIS A 301 4.659 0.430 8.759 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.290 3.341 9.553 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.795 2.444 9.575 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.215 5.124 8.021 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.355 1.298 6.355 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.951 5.419 5.622 1.00 15.00 H new ATOM 365 N ASN A 302 2.548 1.074 11.071 1.00 15.00 N ATOM 366 CA ASN A 302 2.213 0.956 12.488 1.00 15.00 C ATOM 367 C ASN A 302 1.923 -0.491 12.860 1.00 15.00 C ATOM 368 O ASN A 302 2.495 -1.028 13.812 1.00 15.00 O ATOM 369 CB ASN A 302 1.011 1.841 12.841 1.00 15.00 C ATOM 370 CG ASN A 302 0.673 1.800 14.321 1.00 15.00 C ATOM 371 OD1 ASN A 302 -0.116 0.966 14.771 1.00 15.00 O ATOM 372 ND2 ASN A 302 1.258 2.708 15.089 1.00 15.00 N ATOM 0 H ASN A 302 1.749 1.225 10.455 1.00 15.00 H new ATOM 0 HA ASN A 302 3.076 1.295 13.062 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.223 2.869 12.548 1.00 15.00 H new ATOM 0 HB3 ASN A 302 0.144 1.518 12.265 1.00 15.00 H new ATOM 0 HD21 ASN A 302 1.061 2.733 16.089 1.00 15.00 H new ATOM 0 HD22 ASN A 302 1.905 3.382 14.680 1.00 15.00 H new ATOM 379 N ASN A 303 1.028 -1.116 12.113 1.00 15.00 N ATOM 380 CA ASN A 303 0.658 -2.503 12.370 1.00 15.00 C ATOM 381 C ASN A 303 1.539 -3.448 11.561 1.00 15.00 C ATOM 382 O ASN A 303 1.581 -4.655 11.824 1.00 15.00 O ATOM 383 CB ASN A 303 -0.814 -2.743 12.013 1.00 15.00 C ATOM 384 CG ASN A 303 -1.757 -1.746 12.663 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.288 -1.986 13.749 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.973 -0.615 12.003 1.00 15.00 N ATOM 0 H ASN A 303 0.543 -0.688 11.324 1.00 15.00 H new ATOM 0 HA ASN A 303 0.803 -2.700 13.432 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.932 -2.692 10.931 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -1.095 -3.751 12.317 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -2.597 0.092 12.393 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -1.515 -0.452 11.106 1.00 15.00 H new ATOM 393 N ARG A 304 2.236 -2.881 10.575 1.00 15.00 N ATOM 394 CA ARG A 304 3.049 -3.639 9.633 1.00 15.00 C ATOM 395 C ARG A 304 2.179 -4.596 8.826 1.00 15.00 C ATOM 396 O ARG A 304 2.216 -5.814 9.018 1.00 15.00 O ATOM 397 CB ARG A 304 4.176 -4.399 10.340 1.00 15.00 C ATOM 398 CG ARG A 304 5.122 -5.109 9.385 1.00 15.00 C ATOM 399 CD ARG A 304 6.071 -6.033 10.124 1.00 15.00 C ATOM 400 NE ARG A 304 5.343 -7.064 10.863 1.00 15.00 N ATOM 401 CZ ARG A 304 5.855 -8.240 11.215 1.00 15.00 C ATOM 402 NH1 ARG A 304 7.062 -8.601 10.797 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 5.127 -9.076 11.945 1.00 15.00 N ATOM 0 H ARG A 304 2.250 -1.875 10.410 1.00 15.00 H new ATOM 0 HA ARG A 304 3.513 -2.927 8.950 1.00 15.00 H new ATOM 0 HB2 ARG A 304 4.747 -3.700 10.951 1.00 15.00 H new ATOM 0 HB3 ARG A 304 3.739 -5.132 11.018 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.545 -5.683 8.660 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.695 -4.371 8.824 1.00 15.00 H new ATOM 0 HD2 ARG A 304 6.750 -6.504 9.413 1.00 15.00 H new ATOM 0 HD3 ARG A 304 6.683 -5.452 10.814 1.00 15.00 H new ATOM 0 HE ARG A 304 4.377 -6.868 11.126 1.00 15.00 H new ATOM 0 HH11 ARG A 304 7.604 -7.975 10.201 1.00 15.00 H new ATOM 0 HH12 ARG A 304 7.448 -9.505 11.071 1.00 15.00 H new ATOM 0 HH21 ARG A 304 4.184 -8.814 12.231 1.00 15.00 H new ATOM 0 HH22 ARG A 304 5.511 -9.980 12.220 1.00 15.00 H new ATOM 417 N THR A 305 1.360 -4.040 7.954 1.00 15.00 N ATOM 418 CA THR A 305 0.507 -4.853 7.108 1.00 15.00 C ATOM 419 C THR A 305 0.741 -4.540 5.637 1.00 15.00 C ATOM 420 O THR A 305 1.081 -3.409 5.273 1.00 15.00 O ATOM 421 CB THR A 305 -0.991 -4.682 7.455 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.361 -3.299 7.435 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.305 -5.279 8.820 1.00 15.00 C ATOM 0 H THR A 305 1.267 -3.034 7.813 1.00 15.00 H new ATOM 0 HA THR A 305 0.776 -5.892 7.297 1.00 15.00 H new ATOM 0 HB THR A 305 -1.569 -5.214 6.699 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.103 -2.879 8.282 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.364 -5.146 9.040 1.00 15.00 H new ATOM 0 HG22 THR A 305 -1.066 -6.342 8.816 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.710 -4.777 9.583 1.00 15.00 H new ATOM 431 N THR A 306 0.588 -5.562 4.805 1.00 15.00 N ATOM 432 CA THR A 306 0.755 -5.426 3.369 1.00 15.00 C ATOM 433 C THR A 306 -0.543 -5.777 2.635 1.00 15.00 C ATOM 434 O THR A 306 -1.051 -6.898 2.741 1.00 15.00 O ATOM 435 CB THR A 306 1.913 -6.310 2.874 1.00 15.00 C ATOM 436 OG1 THR A 306 1.994 -7.507 3.669 1.00 15.00 O ATOM 437 CG2 THR A 306 3.233 -5.558 2.943 1.00 15.00 C ATOM 0 H THR A 306 0.345 -6.505 5.108 1.00 15.00 H new ATOM 0 HA THR A 306 0.998 -4.386 3.151 1.00 15.00 H new ATOM 0 HB THR A 306 1.719 -6.578 1.835 1.00 15.00 H new ATOM 0 HG1 THR A 306 2.732 -8.065 3.346 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.038 -6.202 2.588 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.178 -4.668 2.316 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.431 -5.264 3.974 1.00 15.00 H new ATOM 445 N GLN A 307 -1.092 -4.803 1.915 1.00 15.00 N ATOM 446 CA GLN A 307 -2.406 -4.964 1.272 1.00 15.00 C ATOM 447 C GLN A 307 -2.305 -4.842 -0.249 1.00 15.00 C ATOM 448 O GLN A 307 -1.571 -4.015 -0.755 1.00 15.00 O ATOM 449 CB GLN A 307 -3.403 -3.906 1.788 1.00 15.00 C ATOM 450 CG GLN A 307 -3.990 -4.182 3.171 1.00 15.00 C ATOM 451 CD GLN A 307 -3.113 -3.708 4.317 1.00 15.00 C ATOM 452 OE1 GLN A 307 -1.898 -3.646 4.207 1.00 15.00 O ATOM 453 NE2 GLN A 307 -3.731 -3.385 5.440 1.00 15.00 N ATOM 0 H GLN A 307 -0.655 -3.895 1.759 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.763 -5.962 1.527 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -2.901 -2.939 1.811 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.222 -3.824 1.074 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -4.963 -3.696 3.246 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.160 -5.254 3.276 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -4.747 -3.448 5.499 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -3.192 -3.073 6.247 1.00 15.00 H new ATOM 462 N PHE A 308 -3.041 -5.664 -0.980 1.00 15.00 N ATOM 463 CA PHE A 308 -3.152 -5.483 -2.425 1.00 15.00 C ATOM 464 C PHE A 308 -4.453 -4.792 -2.801 1.00 15.00 C ATOM 465 O PHE A 308 -4.626 -4.348 -3.936 1.00 15.00 O ATOM 466 CB PHE A 308 -2.975 -6.797 -3.190 1.00 15.00 C ATOM 467 CG PHE A 308 -1.540 -7.051 -3.554 1.00 15.00 C ATOM 468 CD1 PHE A 308 -0.708 -5.983 -3.859 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.017 -8.334 -3.599 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.613 -6.185 -4.198 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.301 -8.538 -3.938 1.00 15.00 C ATOM 472 CZ PHE A 308 1.118 -7.463 -4.236 1.00 15.00 C ATOM 0 H PHE A 308 -3.566 -6.455 -0.606 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.332 -4.831 -2.724 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.346 -7.622 -2.582 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.579 -6.772 -4.097 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.102 -4.978 -3.830 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.648 -9.179 -3.366 1.00 15.00 H new ATOM 0 HE1 PHE A 308 1.248 -5.343 -4.433 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.699 -9.542 -3.971 1.00 15.00 H new ATOM 0 HZ PHE A 308 2.153 -7.627 -4.499 1.00 15.00 H new ATOM 482 N THR A 309 -5.381 -4.740 -1.862 1.00 15.00 N ATOM 483 CA THR A 309 -6.609 -3.993 -2.062 1.00 15.00 C ATOM 484 C THR A 309 -6.433 -2.563 -1.539 1.00 15.00 C ATOM 485 O THR A 309 -5.723 -2.339 -0.555 1.00 15.00 O ATOM 486 CB THR A 309 -7.808 -4.681 -1.370 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.037 -4.082 -1.801 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.706 -4.595 0.148 1.00 15.00 C ATOM 0 H THR A 309 -5.308 -5.204 -0.957 1.00 15.00 H new ATOM 0 HA THR A 309 -6.823 -3.962 -3.130 1.00 15.00 H new ATOM 0 HB THR A 309 -7.791 -5.733 -1.654 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.790 -4.526 -1.358 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.566 -5.089 0.599 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.791 -5.085 0.480 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.688 -3.549 0.453 1.00 15.00 H new ATOM 496 N ASP A 310 -7.057 -1.599 -2.204 1.00 15.00 N ATOM 497 CA ASP A 310 -6.897 -0.194 -1.833 1.00 15.00 C ATOM 498 C ASP A 310 -8.245 0.459 -1.535 1.00 15.00 C ATOM 499 O ASP A 310 -9.216 0.262 -2.268 1.00 15.00 O ATOM 500 CB ASP A 310 -6.173 0.571 -2.950 1.00 15.00 C ATOM 501 CG ASP A 310 -6.113 2.062 -2.688 1.00 15.00 C ATOM 502 OD1 ASP A 310 -5.165 2.527 -2.026 1.00 15.00 O ATOM 503 OD2 ASP A 310 -7.023 2.770 -3.143 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.676 -1.760 -2.999 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.296 -0.153 -0.925 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -5.160 0.183 -3.054 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -6.682 0.392 -3.897 1.00 15.00 H new ATOM 508 N PRO A 311 -8.316 1.249 -0.445 1.00 15.00 N ATOM 509 CA PRO A 311 -9.541 1.931 -0.027 1.00 15.00 C ATOM 510 C PRO A 311 -9.829 3.218 -0.808 1.00 15.00 C ATOM 511 O PRO A 311 -10.935 3.750 -0.738 1.00 15.00 O ATOM 512 CB PRO A 311 -9.275 2.242 1.446 1.00 15.00 C ATOM 513 CG PRO A 311 -7.801 2.440 1.519 1.00 15.00 C ATOM 514 CD PRO A 311 -7.198 1.524 0.483 1.00 15.00 C ATOM 0 HA PRO A 311 -10.421 1.314 -0.207 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -9.813 3.134 1.768 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -9.599 1.425 2.090 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -7.538 3.479 1.319 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -7.426 2.202 2.514 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -6.361 1.998 -0.030 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -6.818 0.607 0.933 1.00 15.00 H new ATOM 522 N ARG A 312 -8.839 3.729 -1.531 1.00 15.00 N ATOM 523 CA ARG A 312 -8.978 5.004 -2.234 1.00 15.00 C ATOM 524 C ARG A 312 -9.860 4.852 -3.475 1.00 15.00 C ATOM 525 O ARG A 312 -10.890 5.522 -3.592 1.00 15.00 O ATOM 526 CB ARG A 312 -7.604 5.563 -2.626 1.00 15.00 C ATOM 527 CG ARG A 312 -6.666 5.739 -1.445 1.00 15.00 C ATOM 528 CD ARG A 312 -5.217 5.911 -1.885 1.00 15.00 C ATOM 529 NE ARG A 312 -4.957 7.201 -2.531 1.00 15.00 N ATOM 530 CZ ARG A 312 -3.837 7.469 -3.209 1.00 15.00 C ATOM 531 NH1 ARG A 312 -2.980 6.495 -3.480 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -3.587 8.697 -3.649 1.00 15.00 N ATOM 0 H ARG A 312 -7.930 3.281 -1.647 1.00 15.00 H new ATOM 0 HA ARG A 312 -9.458 5.708 -1.554 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -7.141 4.894 -3.352 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -7.739 6.525 -3.120 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -6.974 6.609 -0.864 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -6.745 4.873 -0.788 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -4.566 5.810 -1.016 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -4.956 5.108 -2.574 1.00 15.00 H new ATOM 0 HE ARG A 312 -5.666 7.930 -2.459 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -3.176 5.543 -3.171 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -2.125 6.698 -3.997 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -4.253 9.448 -3.471 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -2.728 8.889 -4.165 1.00 15.00 H new ATOM 546 N LEU A 313 -9.473 3.973 -4.400 1.00 15.00 N ATOM 547 CA LEU A 313 -10.276 3.764 -5.605 1.00 15.00 C ATOM 548 C LEU A 313 -11.496 2.894 -5.307 1.00 15.00 C ATOM 549 O LEU A 313 -12.614 3.297 -5.680 1.00 15.00 O ATOM 550 CB LEU A 313 -9.476 3.217 -6.822 1.00 15.00 C ATOM 551 CG LEU A 313 -8.308 2.226 -6.596 1.00 15.00 C ATOM 552 CD1 LEU A 313 -7.070 2.943 -6.085 1.00 15.00 C ATOM 553 CD2 LEU A 313 -8.693 1.088 -5.661 1.00 15.00 C ATOM 0 H LEU A 313 -8.627 3.405 -4.342 1.00 15.00 H new ATOM 0 HA LEU A 313 -10.613 4.756 -5.906 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -10.190 2.731 -7.488 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -9.073 4.076 -7.358 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.076 1.787 -7.566 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -6.267 2.221 -5.936 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -6.756 3.690 -6.814 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -7.298 3.433 -5.138 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -7.842 0.419 -5.533 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -8.984 1.495 -4.693 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -9.529 0.534 -6.087 1.00 15.00 H new ATOM 566 N ASP B 221 -1.646 -9.343 -7.955 1.00 15.00 N ATOM 567 CA ASP B 221 -0.209 -9.392 -8.299 1.00 15.00 C ATOM 568 C ASP B 221 0.493 -10.405 -7.397 1.00 15.00 C ATOM 569 O ASP B 221 -0.123 -10.948 -6.476 1.00 15.00 O ATOM 570 CB ASP B 221 0.412 -7.990 -8.146 1.00 15.00 C ATOM 571 CG ASP B 221 1.845 -7.914 -8.642 1.00 15.00 C ATOM 572 OD1 ASP B 221 2.055 -7.631 -9.841 1.00 15.00 O ATOM 573 OD2 ASP B 221 2.771 -8.138 -7.840 1.00 15.00 O1- ATOM 0 HA ASP B 221 -0.086 -9.706 -9.335 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.194 -7.269 -8.694 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.382 -7.699 -7.096 1.00 15.00 H new ATOM 578 N THR B 222 1.764 -10.668 -7.671 1.00 15.00 N ATOM 579 CA THR B 222 2.563 -11.581 -6.869 1.00 15.00 C ATOM 580 C THR B 222 2.649 -11.100 -5.421 1.00 15.00 C ATOM 581 O THR B 222 2.502 -9.911 -5.169 1.00 15.00 O ATOM 582 CB THR B 222 3.976 -11.712 -7.471 1.00 15.00 C ATOM 583 OG1 THR B 222 4.471 -10.410 -7.831 1.00 15.00 O ATOM 584 CG2 THR B 222 3.961 -12.613 -8.696 1.00 15.00 C ATOM 0 H THR B 222 2.268 -10.254 -8.455 1.00 15.00 H new ATOM 0 HA THR B 222 2.080 -12.558 -6.875 1.00 15.00 H new ATOM 0 HB THR B 222 4.631 -12.159 -6.723 1.00 15.00 H new ATOM 0 HG1 THR B 222 3.999 -9.726 -7.312 1.00 15.00 H new ATOM 0 HG21 THR B 222 4.969 -12.690 -9.103 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.607 -13.604 -8.414 1.00 15.00 H new ATOM 0 HG23 THR B 222 3.296 -12.191 -9.450 1.00 15.00 H new ATOM 592 N PRO B 223 2.929 -12.012 -4.465 1.00 15.00 N ATOM 593 CA PRO B 223 2.811 -11.726 -3.024 1.00 15.00 C ATOM 594 C PRO B 223 3.488 -10.419 -2.608 1.00 15.00 C ATOM 595 O PRO B 223 4.594 -10.109 -3.058 1.00 15.00 O ATOM 596 CB PRO B 223 3.517 -12.915 -2.373 1.00 15.00 C ATOM 597 CG PRO B 223 3.354 -14.028 -3.348 1.00 15.00 C ATOM 598 CD PRO B 223 3.380 -13.394 -4.713 1.00 15.00 C ATOM 0 HA PRO B 223 1.769 -11.602 -2.728 1.00 15.00 H new ATOM 0 HB2 PRO B 223 4.570 -12.699 -2.190 1.00 15.00 H new ATOM 0 HB3 PRO B 223 3.070 -13.163 -1.410 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.156 -14.759 -3.242 1.00 15.00 H new ATOM 0 HG3 PRO B 223 2.416 -14.557 -3.182 1.00 15.00 H new ATOM 0 HD2 PRO B 223 4.380 -13.417 -5.146 1.00 15.00 H new ATOM 0 HD3 PRO B 223 2.719 -13.912 -5.408 1.00 15.00 H new ATOM 606 N PRO B 224 2.834 -9.654 -1.709 1.00 15.00 N ATOM 607 CA PRO B 224 3.271 -8.301 -1.351 1.00 15.00 C ATOM 608 C PRO B 224 4.654 -8.284 -0.709 1.00 15.00 C ATOM 609 O PRO B 224 4.963 -9.105 0.160 1.00 15.00 O ATOM 610 CB PRO B 224 2.206 -7.815 -0.363 1.00 15.00 C ATOM 611 CG PRO B 224 1.549 -9.046 0.152 1.00 15.00 C ATOM 612 CD PRO B 224 1.639 -10.064 -0.948 1.00 15.00 C ATOM 0 HA PRO B 224 3.363 -7.665 -2.231 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.656 -7.242 0.448 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.485 -7.161 -0.854 1.00 15.00 H new ATOM 0 HG2 PRO B 224 2.046 -9.403 1.054 1.00 15.00 H new ATOM 0 HG3 PRO B 224 0.510 -8.850 0.417 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.744 -11.074 -0.551 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.746 -10.058 -1.572 1.00 15.00 H new ATOM 620 N PRO B 225 5.494 -7.331 -1.128 1.00 15.00 N ATOM 621 CA PRO B 225 6.869 -7.211 -0.651 1.00 15.00 C ATOM 622 C PRO B 225 6.950 -6.573 0.732 1.00 15.00 C ATOM 623 O PRO B 225 5.926 -6.227 1.325 1.00 15.00 O ATOM 624 CB PRO B 225 7.507 -6.310 -1.705 1.00 15.00 C ATOM 625 CG PRO B 225 6.409 -5.439 -2.171 1.00 15.00 C ATOM 626 CD PRO B 225 5.159 -6.278 -2.107 1.00 15.00 C ATOM 0 HA PRO B 225 7.360 -8.177 -0.536 1.00 15.00 H new ATOM 0 HB2 PRO B 225 8.324 -5.725 -1.283 1.00 15.00 H new ATOM 0 HB3 PRO B 225 7.924 -6.894 -2.525 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.318 -4.554 -1.541 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.593 -5.089 -3.187 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.299 -5.691 -1.785 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.910 -6.701 -3.080 1.00 15.00 H new ATOM 634 N ALA B 226 8.167 -6.425 1.245 1.00 15.00 N ATOM 635 CA ALA B 226 8.380 -5.773 2.531 1.00 15.00 C ATOM 636 C ALA B 226 7.873 -4.337 2.485 1.00 15.00 C ATOM 637 O ALA B 226 7.871 -3.707 1.425 1.00 15.00 O ATOM 638 CB ALA B 226 9.852 -5.804 2.902 1.00 15.00 C ATOM 0 H ALA B 226 9.021 -6.748 0.789 1.00 15.00 H new ATOM 0 HA ALA B 226 7.820 -6.315 3.293 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.995 -5.313 3.865 1.00 15.00 H new ATOM 0 HB2 ALA B 226 10.189 -6.839 2.968 1.00 15.00 H new ATOM 0 HB3 ALA B 226 10.430 -5.282 2.139 1.00 15.00 H new ATOM 644 N TYR B 227 7.454 -3.810 3.627 1.00 15.00 N ATOM 645 CA TYR B 227 6.839 -2.498 3.639 1.00 15.00 C ATOM 646 C TYR B 227 7.890 -1.403 3.839 1.00 15.00 C ATOM 647 O TYR B 227 8.705 -1.435 4.767 1.00 15.00 O ATOM 648 CB TYR B 227 5.733 -2.404 4.705 1.00 15.00 C ATOM 649 CG TYR B 227 6.215 -1.989 6.074 1.00 15.00 C ATOM 650 CD1 TYR B 227 6.303 -0.645 6.405 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.596 -2.926 7.019 1.00 15.00 C ATOM 652 CE1 TYR B 227 6.757 -0.243 7.639 1.00 15.00 C ATOM 653 CE2 TYR B 227 7.052 -2.535 8.264 1.00 15.00 C ATOM 654 CZ TYR B 227 7.134 -1.189 8.569 1.00 15.00 C ATOM 655 OH TYR B 227 7.583 -0.792 9.809 1.00 15.00 O ATOM 0 H TYR B 227 7.528 -4.263 4.538 1.00 15.00 H new ATOM 0 HA TYR B 227 6.371 -2.344 2.667 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.981 -1.691 4.367 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.241 -3.373 4.786 1.00 15.00 H new ATOM 0 HD1 TYR B 227 6.009 0.100 5.680 1.00 15.00 H new ATOM 0 HD2 TYR B 227 6.536 -3.978 6.780 1.00 15.00 H new ATOM 0 HE1 TYR B 227 6.818 0.808 7.879 1.00 15.00 H new ATOM 0 HE2 TYR B 227 7.342 -3.276 8.994 1.00 15.00 H new ATOM 0 HH TYR B 227 7.807 -1.582 10.344 1.00 15.00 H new ATOM 665 N LEU B 228 7.872 -0.463 2.921 1.00 15.00 N ATOM 666 CA LEU B 228 8.711 0.721 2.970 1.00 15.00 C ATOM 667 C LEU B 228 7.829 1.936 2.744 1.00 15.00 C ATOM 668 O LEU B 228 6.751 1.798 2.188 1.00 15.00 O ATOM 669 CB LEU B 228 9.841 0.665 1.926 1.00 15.00 C ATOM 670 CG LEU B 228 10.960 -0.346 2.199 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.560 -1.743 1.749 1.00 15.00 C ATOM 672 CD2 LEU B 228 12.242 0.088 1.508 1.00 15.00 C ATOM 0 H LEU B 228 7.264 -0.497 2.103 1.00 15.00 H new ATOM 0 HA LEU B 228 9.193 0.779 3.946 1.00 15.00 H new ATOM 0 HB2 LEU B 228 9.401 0.436 0.956 1.00 15.00 H new ATOM 0 HB3 LEU B 228 10.286 1.657 1.848 1.00 15.00 H new ATOM 0 HG LEU B 228 11.133 -0.377 3.275 1.00 15.00 H new ATOM 0 HD11 LEU B 228 11.373 -2.439 1.955 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.667 -2.058 2.290 1.00 15.00 H new ATOM 0 HD13 LEU B 228 10.352 -1.735 0.679 1.00 15.00 H new ATOM 0 HD21 LEU B 228 13.028 -0.639 1.710 1.00 15.00 H new ATOM 0 HD22 LEU B 228 12.073 0.150 0.433 1.00 15.00 H new ATOM 0 HD23 LEU B 228 12.545 1.065 1.884 1.00 15.00 H new ATOM 684 N PRO B 229 8.262 3.146 3.109 1.00 15.00 N ATOM 685 CA PRO B 229 7.381 4.308 3.041 1.00 15.00 C ATOM 686 C PRO B 229 7.418 4.964 1.667 1.00 15.00 C ATOM 687 O PRO B 229 8.442 4.989 0.984 1.00 15.00 O ATOM 688 CB PRO B 229 7.988 5.269 4.074 1.00 15.00 C ATOM 689 CG PRO B 229 9.046 4.491 4.780 1.00 15.00 C ATOM 690 CD PRO B 229 9.499 3.441 3.814 1.00 15.00 C ATOM 0 HA PRO B 229 6.340 4.043 3.227 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.408 6.150 3.589 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.230 5.622 4.773 1.00 15.00 H new ATOM 0 HG2 PRO B 229 9.875 5.136 5.073 1.00 15.00 H new ATOM 0 HG3 PRO B 229 8.656 4.040 5.692 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.276 3.808 3.144 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.902 2.564 4.320 1.00 15.00 H new ATOM 698 N PRO B 230 6.269 5.550 1.297 1.00 15.00 N ATOM 699 CA PRO B 230 5.708 5.432 -0.037 1.00 15.00 C ATOM 700 C PRO B 230 5.972 6.560 -1.025 1.00 15.00 C ATOM 701 O PRO B 230 6.258 7.703 -0.668 1.00 15.00 O ATOM 702 CB PRO B 230 4.227 5.403 0.313 1.00 15.00 C ATOM 703 CG PRO B 230 4.083 6.374 1.440 1.00 15.00 C ATOM 704 CD PRO B 230 5.425 6.428 2.133 1.00 15.00 C ATOM 0 HA PRO B 230 6.144 4.584 -0.565 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.613 5.693 -0.540 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.910 4.403 0.609 1.00 15.00 H new ATOM 0 HG2 PRO B 230 3.798 7.359 1.070 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.302 6.054 2.130 1.00 15.00 H new ATOM 0 HD2 PRO B 230 5.817 7.444 2.174 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.363 6.069 3.160 1.00 15.00 H new ATOM 712 N GLU B 231 5.817 6.188 -2.289 1.00 15.00 N ATOM 713 CA GLU B 231 5.758 7.117 -3.393 1.00 15.00 C ATOM 714 C GLU B 231 4.397 6.940 -4.087 1.00 15.00 C ATOM 715 O GLU B 231 4.024 5.816 -4.427 1.00 15.00 O ATOM 716 CB GLU B 231 6.919 6.846 -4.363 1.00 15.00 C ATOM 717 CG GLU B 231 6.957 5.429 -4.937 1.00 15.00 C ATOM 718 CD GLU B 231 8.343 5.038 -5.400 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.141 4.571 -4.563 1.00 15.00 O1- ATOM 720 OE2 GLU B 231 8.643 5.193 -6.599 1.00 15.00 O ATOM 0 H GLU B 231 5.728 5.212 -2.573 1.00 15.00 H new ATOM 0 HA GLU B 231 5.856 8.145 -3.043 1.00 15.00 H new ATOM 0 HB2 GLU B 231 6.858 7.556 -5.188 1.00 15.00 H new ATOM 0 HB3 GLU B 231 7.859 7.039 -3.846 1.00 15.00 H new ATOM 0 HG2 GLU B 231 6.616 4.723 -4.180 1.00 15.00 H new ATOM 0 HG3 GLU B 231 6.263 5.359 -5.774 1.00 15.00 H new