USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 369 hydrogens (2 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 291 THR OG1 : rot 101:sc= 0.509 USER MOD Set 1.2: A 293 SER OG : rot -170:sc= 0.228 USER MOD Single : A 290 SER OG : rot -149:sc= 0.0516 USER MOD Single : A 297 TYR OH : rot 180:sc= 0.334 USER MOD Single : A 301 HIS : no HE2:sc= -11.2! C(o=-11!,f=-7.2!) USER MOD Single : A 302 ASN : amide:sc= -0.387 K(o=-0.39,f=-2.3!) USER MOD Single : A 303 ASN : amide:sc= -1.24! K(o=-1.2!,f=-0.024) USER MOD Single : A 305 THR OG1 : rot -89:sc= 1.18 USER MOD Single : A 306 THR OG1 : rot 40:sc= 0.0361 USER MOD Single : A 307 GLN : amide:sc= -1.22 K(o=-1.2,f=-5.9!) USER MOD Single : A 309 THR OG1 : rot 180:sc= 0 USER MOD Single : B 222 THR OG1 : rot 90:sc= -1.47! USER MOD Single : B 227 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 279 -13.038 6.740 -3.588 1.00 15.00 N ATOM 2 CA LEU A 279 -14.312 7.179 -2.977 1.00 15.00 C ATOM 3 C LEU A 279 -14.552 6.506 -1.625 1.00 15.00 C ATOM 4 O LEU A 279 -15.487 6.858 -0.908 1.00 15.00 O ATOM 5 CB LEU A 279 -15.482 6.915 -3.937 1.00 15.00 C ATOM 6 CG LEU A 279 -15.526 5.528 -4.596 1.00 15.00 C ATOM 7 CD1 LEU A 279 -15.984 4.457 -3.615 1.00 15.00 C ATOM 8 CD2 LEU A 279 -16.434 5.556 -5.816 1.00 15.00 C ATOM 0 HA LEU A 279 -14.244 8.252 -2.796 1.00 15.00 H new ATOM 0 HB2 LEU A 279 -16.413 7.063 -3.390 1.00 15.00 H new ATOM 0 HB3 LEU A 279 -15.453 7.667 -4.726 1.00 15.00 H new ATOM 0 HG LEU A 279 -14.514 5.274 -4.912 1.00 15.00 H new ATOM 0 HD11 LEU A 279 -16.003 3.489 -4.116 1.00 15.00 H new ATOM 0 HD12 LEU A 279 -15.294 4.416 -2.773 1.00 15.00 H new ATOM 0 HD13 LEU A 279 -16.984 4.698 -3.254 1.00 15.00 H new ATOM 0 HD21 LEU A 279 -16.457 4.568 -6.275 1.00 15.00 H new ATOM 0 HD22 LEU A 279 -17.442 5.839 -5.513 1.00 15.00 H new ATOM 0 HD23 LEU A 279 -16.054 6.281 -6.536 1.00 15.00 H new ATOM 22 N GLY A 280 -13.713 5.534 -1.284 1.00 15.00 N ATOM 23 CA GLY A 280 -13.865 4.834 -0.023 1.00 15.00 C ATOM 24 C GLY A 280 -13.033 5.448 1.087 1.00 15.00 C ATOM 25 O GLY A 280 -12.335 6.440 0.865 1.00 15.00 O ATOM 0 H GLY A 280 -12.931 5.219 -1.858 1.00 15.00 H new ATOM 0 HA2 GLY A 280 -14.915 4.841 0.268 1.00 15.00 H new ATOM 0 HA3 GLY A 280 -13.577 3.791 -0.153 1.00 15.00 H new ATOM 29 N PRO A 281 -13.073 4.865 2.292 1.00 15.00 N ATOM 30 CA PRO A 281 -12.359 5.385 3.451 1.00 15.00 C ATOM 31 C PRO A 281 -10.944 4.821 3.581 1.00 15.00 C ATOM 32 O PRO A 281 -10.723 3.616 3.453 1.00 15.00 O ATOM 33 CB PRO A 281 -13.234 4.909 4.608 1.00 15.00 C ATOM 34 CG PRO A 281 -13.849 3.628 4.138 1.00 15.00 C ATOM 35 CD PRO A 281 -13.837 3.651 2.625 1.00 15.00 C ATOM 0 HA PRO A 281 -12.216 6.464 3.402 1.00 15.00 H new ATOM 0 HB2 PRO A 281 -12.642 4.753 5.510 1.00 15.00 H new ATOM 0 HB3 PRO A 281 -13.999 5.646 4.852 1.00 15.00 H new ATOM 0 HG2 PRO A 281 -13.288 2.772 4.514 1.00 15.00 H new ATOM 0 HG3 PRO A 281 -14.868 3.531 4.513 1.00 15.00 H new ATOM 0 HD2 PRO A 281 -13.365 2.758 2.216 1.00 15.00 H new ATOM 0 HD3 PRO A 281 -14.848 3.692 2.219 1.00 15.00 H new ATOM 43 N LEU A 282 -9.987 5.699 3.846 1.00 15.00 N ATOM 44 CA LEU A 282 -8.599 5.292 4.012 1.00 15.00 C ATOM 45 C LEU A 282 -8.171 5.456 5.468 1.00 15.00 C ATOM 46 O LEU A 282 -8.256 6.550 6.027 1.00 15.00 O ATOM 47 CB LEU A 282 -7.682 6.116 3.102 1.00 15.00 C ATOM 48 CG LEU A 282 -6.223 5.654 3.063 1.00 15.00 C ATOM 49 CD1 LEU A 282 -6.116 4.273 2.433 1.00 15.00 C ATOM 50 CD2 LEU A 282 -5.363 6.653 2.304 1.00 15.00 C ATOM 0 H LEU A 282 -10.147 6.701 3.951 1.00 15.00 H new ATOM 0 HA LEU A 282 -8.514 4.242 3.733 1.00 15.00 H new ATOM 0 HB2 LEU A 282 -8.083 6.090 2.089 1.00 15.00 H new ATOM 0 HB3 LEU A 282 -7.709 7.155 3.429 1.00 15.00 H new ATOM 0 HG LEU A 282 -5.857 5.595 4.088 1.00 15.00 H new ATOM 0 HD11 LEU A 282 -5.072 3.962 2.414 1.00 15.00 H new ATOM 0 HD12 LEU A 282 -6.697 3.560 3.018 1.00 15.00 H new ATOM 0 HD13 LEU A 282 -6.503 4.307 1.415 1.00 15.00 H new ATOM 0 HD21 LEU A 282 -4.330 6.306 2.288 1.00 15.00 H new ATOM 0 HD22 LEU A 282 -5.730 6.747 1.282 1.00 15.00 H new ATOM 0 HD23 LEU A 282 -5.412 7.624 2.797 1.00 15.00 H new ATOM 62 N PRO A 283 -7.719 4.367 6.101 1.00 15.00 N ATOM 63 CA PRO A 283 -7.250 4.390 7.490 1.00 15.00 C ATOM 64 C PRO A 283 -5.985 5.230 7.660 1.00 15.00 C ATOM 65 O PRO A 283 -5.024 5.081 6.904 1.00 15.00 O ATOM 66 CB PRO A 283 -6.950 2.916 7.801 1.00 15.00 C ATOM 67 CG PRO A 283 -7.627 2.135 6.725 1.00 15.00 C ATOM 68 CD PRO A 283 -7.637 3.022 5.518 1.00 15.00 C ATOM 0 HA PRO A 283 -7.989 4.837 8.155 1.00 15.00 H new ATOM 0 HB2 PRO A 283 -5.877 2.727 7.807 1.00 15.00 H new ATOM 0 HB3 PRO A 283 -7.328 2.638 8.785 1.00 15.00 H new ATOM 0 HG2 PRO A 283 -7.094 1.206 6.523 1.00 15.00 H new ATOM 0 HG3 PRO A 283 -8.641 1.863 7.019 1.00 15.00 H new ATOM 0 HD2 PRO A 283 -6.737 2.896 4.917 1.00 15.00 H new ATOM 0 HD3 PRO A 283 -8.486 2.811 4.868 1.00 15.00 H new ATOM 76 N PRO A 284 -5.973 6.129 8.658 1.00 15.00 N ATOM 77 CA PRO A 284 -4.804 6.959 8.962 1.00 15.00 C ATOM 78 C PRO A 284 -3.606 6.117 9.399 1.00 15.00 C ATOM 79 O PRO A 284 -3.695 5.331 10.348 1.00 15.00 O ATOM 80 CB PRO A 284 -5.281 7.860 10.107 1.00 15.00 C ATOM 81 CG PRO A 284 -6.452 7.152 10.698 1.00 15.00 C ATOM 82 CD PRO A 284 -7.099 6.406 9.566 1.00 15.00 C ATOM 0 HA PRO A 284 -4.461 7.518 8.091 1.00 15.00 H new ATOM 0 HB2 PRO A 284 -4.494 8.006 10.847 1.00 15.00 H new ATOM 0 HB3 PRO A 284 -5.561 8.848 9.741 1.00 15.00 H new ATOM 0 HG2 PRO A 284 -6.137 6.468 11.487 1.00 15.00 H new ATOM 0 HG3 PRO A 284 -7.149 7.859 11.148 1.00 15.00 H new ATOM 0 HD2 PRO A 284 -7.575 5.487 9.909 1.00 15.00 H new ATOM 0 HD3 PRO A 284 -7.871 7.003 9.080 1.00 15.00 H new ATOM 90 N GLY A 285 -2.490 6.286 8.706 1.00 15.00 N ATOM 91 CA GLY A 285 -1.319 5.473 8.972 1.00 15.00 C ATOM 92 C GLY A 285 -0.965 4.608 7.783 1.00 15.00 C ATOM 93 O GLY A 285 0.055 3.916 7.780 1.00 15.00 O ATOM 0 H GLY A 285 -2.373 6.974 7.962 1.00 15.00 H new ATOM 0 HA2 GLY A 285 -0.475 6.118 9.219 1.00 15.00 H new ATOM 0 HA3 GLY A 285 -1.503 4.842 9.841 1.00 15.00 H new ATOM 97 N TRP A 286 -1.809 4.668 6.765 1.00 15.00 N ATOM 98 CA TRP A 286 -1.609 3.899 5.551 1.00 15.00 C ATOM 99 C TRP A 286 -0.787 4.681 4.547 1.00 15.00 C ATOM 100 O TRP A 286 -1.203 5.741 4.075 1.00 15.00 O ATOM 101 CB TRP A 286 -2.962 3.533 4.920 1.00 15.00 C ATOM 102 CG TRP A 286 -3.573 2.296 5.495 1.00 15.00 C ATOM 103 CD1 TRP A 286 -3.619 1.947 6.814 1.00 15.00 C ATOM 104 CD2 TRP A 286 -4.213 1.232 4.773 1.00 15.00 C ATOM 105 NE1 TRP A 286 -4.223 0.724 6.959 1.00 15.00 N ATOM 106 CE2 TRP A 286 -4.596 0.263 5.727 1.00 15.00 C ATOM 107 CE3 TRP A 286 -4.499 0.987 3.417 1.00 15.00 C ATOM 108 CZ2 TRP A 286 -5.236 -0.919 5.378 1.00 15.00 C ATOM 109 CZ3 TRP A 286 -5.125 -0.195 3.084 1.00 15.00 C ATOM 110 CH2 TRP A 286 -5.484 -1.136 4.053 1.00 15.00 C ATOM 0 H TRP A 286 -2.647 5.249 6.758 1.00 15.00 H new ATOM 0 HA TRP A 286 -1.073 2.988 5.818 1.00 15.00 H new ATOM 0 HB2 TRP A 286 -3.653 4.365 5.053 1.00 15.00 H new ATOM 0 HB3 TRP A 286 -2.829 3.398 3.847 1.00 15.00 H new ATOM 0 HD1 TRP A 286 -3.235 2.547 7.626 1.00 15.00 H new ATOM 0 HE1 TRP A 286 -4.370 0.237 7.843 1.00 15.00 H new ATOM 0 HE3 TRP A 286 -4.235 1.707 2.657 1.00 15.00 H new ATOM 0 HZ2 TRP A 286 -5.527 -1.640 6.127 1.00 15.00 H new ATOM 0 HZ3 TRP A 286 -5.344 -0.399 2.046 1.00 15.00 H new ATOM 0 HH2 TRP A 286 -5.967 -2.053 3.748 1.00 15.00 H new ATOM 121 N GLU A 287 0.387 4.165 4.236 1.00 15.00 N ATOM 122 CA GLU A 287 1.188 4.723 3.177 1.00 15.00 C ATOM 123 C GLU A 287 0.920 3.940 1.912 1.00 15.00 C ATOM 124 O GLU A 287 1.097 2.723 1.877 1.00 15.00 O ATOM 125 CB GLU A 287 2.671 4.685 3.551 1.00 15.00 C ATOM 126 CG GLU A 287 3.213 6.029 4.009 1.00 15.00 C ATOM 127 CD GLU A 287 2.449 6.606 5.183 1.00 15.00 C ATOM 128 OE1 GLU A 287 2.539 6.038 6.286 1.00 15.00 O ATOM 129 OE2 GLU A 287 1.779 7.645 5.010 1.00 15.00 O1- ATOM 0 H GLU A 287 0.802 3.360 4.705 1.00 15.00 H new ATOM 0 HA GLU A 287 0.923 5.768 3.016 1.00 15.00 H new ATOM 0 HB2 GLU A 287 2.819 3.952 4.344 1.00 15.00 H new ATOM 0 HB3 GLU A 287 3.246 4.344 2.690 1.00 15.00 H new ATOM 0 HG2 GLU A 287 4.262 5.917 4.285 1.00 15.00 H new ATOM 0 HG3 GLU A 287 3.176 6.732 3.177 1.00 15.00 H new ATOM 136 N VAL A 288 0.464 4.620 0.880 1.00 15.00 N ATOM 137 CA VAL A 288 0.158 3.940 -0.353 1.00 15.00 C ATOM 138 C VAL A 288 1.413 3.926 -1.222 1.00 15.00 C ATOM 139 O VAL A 288 1.848 4.942 -1.761 1.00 15.00 O ATOM 140 CB VAL A 288 -1.077 4.562 -1.090 1.00 15.00 C ATOM 141 CG1 VAL A 288 -2.185 4.893 -0.104 1.00 15.00 C ATOM 142 CG2 VAL A 288 -0.739 5.797 -1.907 1.00 15.00 C ATOM 0 H VAL A 288 0.300 5.627 0.873 1.00 15.00 H new ATOM 0 HA VAL A 288 -0.136 2.914 -0.133 1.00 15.00 H new ATOM 0 HB VAL A 288 -1.416 3.798 -1.790 1.00 15.00 H new ATOM 0 HG11 VAL A 288 -3.032 5.323 -0.639 1.00 15.00 H new ATOM 0 HG12 VAL A 288 -2.502 3.983 0.406 1.00 15.00 H new ATOM 0 HG13 VAL A 288 -1.817 5.610 0.630 1.00 15.00 H new ATOM 0 HG21 VAL A 288 -1.642 6.173 -2.389 1.00 15.00 H new ATOM 0 HG22 VAL A 288 -0.330 6.566 -1.252 1.00 15.00 H new ATOM 0 HG23 VAL A 288 -0.002 5.539 -2.668 1.00 15.00 H new ATOM 152 N ARG A 289 2.059 2.778 -1.284 1.00 15.00 N ATOM 153 CA ARG A 289 3.290 2.680 -2.031 1.00 15.00 C ATOM 154 C ARG A 289 2.960 2.208 -3.439 1.00 15.00 C ATOM 155 O ARG A 289 2.641 1.044 -3.667 1.00 15.00 O ATOM 156 CB ARG A 289 4.303 1.775 -1.295 1.00 15.00 C ATOM 157 CG ARG A 289 5.762 1.959 -1.727 1.00 15.00 C ATOM 158 CD ARG A 289 6.006 1.505 -3.156 1.00 15.00 C ATOM 159 NE ARG A 289 7.379 1.744 -3.606 1.00 15.00 N ATOM 160 CZ ARG A 289 8.237 0.770 -3.920 1.00 15.00 C ATOM 161 NH1 ARG A 289 7.947 -0.491 -3.638 1.00 15.00 N1+ ATOM 162 NH2 ARG A 289 9.402 1.062 -4.475 1.00 15.00 N ATOM 0 H ARG A 289 1.756 1.915 -0.833 1.00 15.00 H new ATOM 0 HA ARG A 289 3.776 3.652 -2.111 1.00 15.00 H new ATOM 0 HB2 ARG A 289 4.229 1.966 -0.225 1.00 15.00 H new ATOM 0 HB3 ARG A 289 4.021 0.734 -1.453 1.00 15.00 H new ATOM 0 HG2 ARG A 289 6.037 3.009 -1.631 1.00 15.00 H new ATOM 0 HG3 ARG A 289 6.410 1.397 -1.055 1.00 15.00 H new ATOM 0 HD2 ARG A 289 5.783 0.441 -3.236 1.00 15.00 H new ATOM 0 HD3 ARG A 289 5.316 2.026 -3.820 1.00 15.00 H new ATOM 0 HE ARG A 289 7.698 2.710 -3.684 1.00 15.00 H new ATOM 0 HH11 ARG A 289 7.066 -0.721 -3.179 1.00 15.00 H new ATOM 0 HH12 ARG A 289 8.605 -1.232 -3.880 1.00 15.00 H new ATOM 0 HH21 ARG A 289 9.647 2.034 -4.664 1.00 15.00 H new ATOM 0 HH22 ARG A 289 10.055 0.315 -4.713 1.00 15.00 H new ATOM 176 N SER A 290 2.959 3.155 -4.358 1.00 15.00 N ATOM 177 CA SER A 290 2.572 2.902 -5.730 1.00 15.00 C ATOM 178 C SER A 290 3.793 2.618 -6.590 1.00 15.00 C ATOM 179 O SER A 290 4.840 3.246 -6.430 1.00 15.00 O ATOM 180 CB SER A 290 1.803 4.118 -6.239 1.00 15.00 C ATOM 181 OG SER A 290 2.372 5.320 -5.737 1.00 15.00 O ATOM 0 H SER A 290 3.227 4.122 -4.173 1.00 15.00 H new ATOM 0 HA SER A 290 1.935 2.019 -5.784 1.00 15.00 H new ATOM 0 HB2 SER A 290 1.815 4.132 -7.329 1.00 15.00 H new ATOM 0 HB3 SER A 290 0.759 4.049 -5.933 1.00 15.00 H new ATOM 0 HG SER A 290 1.670 5.996 -5.632 1.00 15.00 H new ATOM 187 N THR A 291 3.660 1.668 -7.502 1.00 15.00 N ATOM 188 CA THR A 291 4.776 1.267 -8.338 1.00 15.00 C ATOM 189 C THR A 291 4.396 1.269 -9.820 1.00 15.00 C ATOM 190 O THR A 291 3.233 1.023 -10.180 1.00 15.00 O ATOM 191 CB THR A 291 5.310 -0.114 -7.915 1.00 15.00 C ATOM 192 OG1 THR A 291 4.232 -1.058 -7.848 1.00 15.00 O ATOM 193 CG2 THR A 291 5.989 -0.023 -6.555 1.00 15.00 C ATOM 0 H THR A 291 2.792 1.163 -7.681 1.00 15.00 H new ATOM 0 HA THR A 291 5.570 2.000 -8.199 1.00 15.00 H new ATOM 0 HB THR A 291 6.037 -0.447 -8.656 1.00 15.00 H new ATOM 0 HG1 THR A 291 4.232 -1.613 -8.656 1.00 15.00 H new ATOM 0 HG21 THR A 291 6.362 -1.006 -6.268 1.00 15.00 H new ATOM 0 HG22 THR A 291 6.821 0.679 -6.610 1.00 15.00 H new ATOM 0 HG23 THR A 291 5.271 0.324 -5.812 1.00 15.00 H new ATOM 201 N VAL A 292 5.398 1.534 -10.668 1.00 15.00 N ATOM 202 CA VAL A 292 5.200 1.760 -12.104 1.00 15.00 C ATOM 203 C VAL A 292 4.658 0.513 -12.806 1.00 15.00 C ATOM 204 O VAL A 292 4.152 0.585 -13.927 1.00 15.00 O ATOM 205 CB VAL A 292 6.521 2.207 -12.780 1.00 15.00 C ATOM 206 CG1 VAL A 292 6.307 2.573 -14.244 1.00 15.00 C ATOM 207 CG2 VAL A 292 7.125 3.383 -12.029 1.00 15.00 C ATOM 0 H VAL A 292 6.373 1.598 -10.375 1.00 15.00 H new ATOM 0 HA VAL A 292 4.461 2.555 -12.202 1.00 15.00 H new ATOM 0 HB VAL A 292 7.212 1.365 -12.745 1.00 15.00 H new ATOM 0 HG11 VAL A 292 7.255 2.881 -14.684 1.00 15.00 H new ATOM 0 HG12 VAL A 292 5.921 1.708 -14.783 1.00 15.00 H new ATOM 0 HG13 VAL A 292 5.591 3.392 -14.313 1.00 15.00 H new ATOM 0 HG21 VAL A 292 8.052 3.687 -12.514 1.00 15.00 H new ATOM 0 HG22 VAL A 292 6.423 4.217 -12.033 1.00 15.00 H new ATOM 0 HG23 VAL A 292 7.333 3.089 -11.000 1.00 15.00 H new ATOM 217 N SER A 293 4.740 -0.626 -12.132 1.00 15.00 N ATOM 218 CA SER A 293 4.168 -1.867 -12.642 1.00 15.00 C ATOM 219 C SER A 293 2.657 -1.731 -12.832 1.00 15.00 C ATOM 220 O SER A 293 2.013 -2.559 -13.481 1.00 15.00 O ATOM 221 CB SER A 293 4.491 -3.021 -11.698 1.00 15.00 C ATOM 222 OG SER A 293 4.197 -2.673 -10.358 1.00 15.00 O ATOM 0 H SER A 293 5.199 -0.717 -11.226 1.00 15.00 H new ATOM 0 HA SER A 293 4.611 -2.078 -13.615 1.00 15.00 H new ATOM 0 HB2 SER A 293 3.916 -3.902 -11.984 1.00 15.00 H new ATOM 0 HB3 SER A 293 5.545 -3.285 -11.787 1.00 15.00 H new ATOM 0 HG SER A 293 4.555 -3.358 -9.756 1.00 15.00 H new ATOM 228 N GLY A 294 2.099 -0.688 -12.235 1.00 15.00 N ATOM 229 CA GLY A 294 0.686 -0.427 -12.350 1.00 15.00 C ATOM 230 C GLY A 294 -0.094 -1.101 -11.253 1.00 15.00 C ATOM 231 O GLY A 294 -1.129 -1.723 -11.502 1.00 15.00 O ATOM 0 H GLY A 294 2.610 -0.012 -11.667 1.00 15.00 H new ATOM 0 HA2 GLY A 294 0.510 0.648 -12.314 1.00 15.00 H new ATOM 0 HA3 GLY A 294 0.329 -0.776 -13.319 1.00 15.00 H new ATOM 235 N ARG A 295 0.416 -1.000 -10.036 1.00 15.00 N ATOM 236 CA ARG A 295 -0.274 -1.562 -8.891 1.00 15.00 C ATOM 237 C ARG A 295 0.028 -0.764 -7.631 1.00 15.00 C ATOM 238 O ARG A 295 1.180 -0.400 -7.366 1.00 15.00 O ATOM 239 CB ARG A 295 0.105 -3.040 -8.694 1.00 15.00 C ATOM 240 CG ARG A 295 1.539 -3.280 -8.240 1.00 15.00 C ATOM 241 CD ARG A 295 1.811 -4.762 -8.030 1.00 15.00 C ATOM 242 NE ARG A 295 1.909 -5.495 -9.291 1.00 15.00 N ATOM 243 CZ ARG A 295 3.039 -6.009 -9.772 1.00 15.00 C ATOM 244 NH1 ARG A 295 4.183 -5.845 -9.122 1.00 15.00 N1+ ATOM 245 NH2 ARG A 295 3.027 -6.688 -10.910 1.00 15.00 N ATOM 0 H ARG A 295 1.299 -0.537 -9.818 1.00 15.00 H new ATOM 0 HA ARG A 295 -1.345 -1.505 -9.085 1.00 15.00 H new ATOM 0 HB2 ARG A 295 -0.571 -3.478 -7.960 1.00 15.00 H new ATOM 0 HB3 ARG A 295 -0.057 -3.570 -9.633 1.00 15.00 H new ATOM 0 HG2 ARG A 295 2.230 -2.883 -8.984 1.00 15.00 H new ATOM 0 HG3 ARG A 295 1.724 -2.739 -7.312 1.00 15.00 H new ATOM 0 HD2 ARG A 295 2.738 -4.883 -7.470 1.00 15.00 H new ATOM 0 HD3 ARG A 295 1.014 -5.193 -7.424 1.00 15.00 H new ATOM 0 HE ARG A 295 1.057 -5.621 -9.837 1.00 15.00 H new ATOM 0 HH11 ARG A 295 4.202 -5.322 -8.247 1.00 15.00 H new ATOM 0 HH12 ARG A 295 5.044 -6.242 -9.497 1.00 15.00 H new ATOM 0 HH21 ARG A 295 2.152 -6.817 -11.418 1.00 15.00 H new ATOM 0 HH22 ARG A 295 3.893 -7.082 -11.278 1.00 15.00 H new ATOM 259 N ILE A 296 -1.015 -0.479 -6.870 1.00 15.00 N ATOM 260 CA ILE A 296 -0.855 0.083 -5.544 1.00 15.00 C ATOM 261 C ILE A 296 -0.761 -1.078 -4.563 1.00 15.00 C ATOM 262 O ILE A 296 -1.393 -2.115 -4.766 1.00 15.00 O ATOM 263 CB ILE A 296 -2.033 1.025 -5.167 1.00 15.00 C ATOM 264 CG1 ILE A 296 -1.752 1.753 -3.839 1.00 15.00 C ATOM 265 CG2 ILE A 296 -3.346 0.252 -5.088 1.00 15.00 C ATOM 266 CD1 ILE A 296 -2.874 2.665 -3.399 1.00 15.00 C ATOM 0 H ILE A 296 -1.984 -0.629 -7.151 1.00 15.00 H new ATOM 0 HA ILE A 296 0.048 0.693 -5.512 1.00 15.00 H new ATOM 0 HB ILE A 296 -2.126 1.774 -5.953 1.00 15.00 H new ATOM 0 HG12 ILE A 296 -1.570 1.013 -3.060 1.00 15.00 H new ATOM 0 HG13 ILE A 296 -0.838 2.338 -3.942 1.00 15.00 H new ATOM 0 HG21 ILE A 296 -4.154 0.934 -4.823 1.00 15.00 H new ATOM 0 HG22 ILE A 296 -3.559 -0.204 -6.055 1.00 15.00 H new ATOM 0 HG23 ILE A 296 -3.265 -0.527 -4.330 1.00 15.00 H new ATOM 0 HD11 ILE A 296 -2.606 3.143 -2.457 1.00 15.00 H new ATOM 0 HD12 ILE A 296 -3.042 3.428 -4.159 1.00 15.00 H new ATOM 0 HD13 ILE A 296 -3.785 2.082 -3.263 1.00 15.00 H new ATOM 278 N TYR A 297 0.044 -0.932 -3.532 1.00 15.00 N ATOM 279 CA TYR A 297 0.273 -2.029 -2.614 1.00 15.00 C ATOM 280 C TYR A 297 0.565 -1.437 -1.265 1.00 15.00 C ATOM 281 O TYR A 297 1.349 -0.487 -1.132 1.00 15.00 O ATOM 282 CB TYR A 297 1.370 -3.003 -3.111 1.00 15.00 C ATOM 283 CG TYR A 297 2.793 -2.701 -2.693 1.00 15.00 C ATOM 284 CD1 TYR A 297 3.523 -1.706 -3.316 1.00 15.00 C ATOM 285 CD2 TYR A 297 3.419 -3.437 -1.687 1.00 15.00 C ATOM 286 CE1 TYR A 297 4.825 -1.443 -2.950 1.00 15.00 C ATOM 287 CE2 TYR A 297 4.721 -3.176 -1.317 1.00 15.00 C ATOM 288 CZ TYR A 297 5.419 -2.178 -1.950 1.00 15.00 C ATOM 289 OH TYR A 297 6.718 -1.907 -1.582 1.00 15.00 O ATOM 0 H TYR A 297 0.547 -0.073 -3.309 1.00 15.00 H new ATOM 0 HA TYR A 297 -0.617 -2.654 -2.547 1.00 15.00 H new ATOM 0 HB2 TYR A 297 1.119 -4.004 -2.761 1.00 15.00 H new ATOM 0 HB3 TYR A 297 1.334 -3.028 -4.200 1.00 15.00 H new ATOM 0 HD1 TYR A 297 3.065 -1.125 -4.103 1.00 15.00 H new ATOM 0 HD2 TYR A 297 2.874 -4.225 -1.189 1.00 15.00 H new ATOM 0 HE1 TYR A 297 5.379 -0.661 -3.448 1.00 15.00 H new ATOM 0 HE2 TYR A 297 5.189 -3.753 -0.534 1.00 15.00 H new ATOM 0 HH TYR A 297 6.987 -2.514 -0.862 1.00 15.00 H new ATOM 299 N PHE A 298 -0.101 -1.961 -0.275 1.00 15.00 N ATOM 300 CA PHE A 298 -0.170 -1.304 0.976 1.00 15.00 C ATOM 301 C PHE A 298 0.912 -1.658 1.938 1.00 15.00 C ATOM 302 O PHE A 298 1.239 -2.824 2.163 1.00 15.00 O ATOM 303 CB PHE A 298 -1.520 -1.505 1.581 1.00 15.00 C ATOM 304 CG PHE A 298 -2.322 -0.328 1.262 1.00 15.00 C ATOM 305 CD1 PHE A 298 -1.927 0.892 1.764 1.00 15.00 C ATOM 306 CD2 PHE A 298 -3.428 -0.410 0.444 1.00 15.00 C ATOM 307 CE1 PHE A 298 -2.624 2.015 1.476 1.00 15.00 C ATOM 308 CE2 PHE A 298 -4.137 0.723 0.152 1.00 15.00 C ATOM 309 CZ PHE A 298 -3.726 1.927 0.676 1.00 15.00 C ATOM 0 H PHE A 298 -0.603 -2.848 -0.322 1.00 15.00 H new ATOM 0 HA PHE A 298 -0.006 -0.247 0.766 1.00 15.00 H new ATOM 0 HB2 PHE A 298 -1.987 -2.407 1.185 1.00 15.00 H new ATOM 0 HB3 PHE A 298 -1.441 -1.635 2.660 1.00 15.00 H new ATOM 0 HD1 PHE A 298 -1.052 0.953 2.394 1.00 15.00 H new ATOM 0 HD2 PHE A 298 -3.733 -1.362 0.036 1.00 15.00 H new ATOM 0 HE1 PHE A 298 -2.312 2.969 1.874 1.00 15.00 H new ATOM 0 HE2 PHE A 298 -5.009 0.673 -0.483 1.00 15.00 H new ATOM 0 HZ PHE A 298 -4.287 2.821 0.449 1.00 15.00 H new ATOM 319 N VAL A 299 1.409 -0.595 2.532 1.00 15.00 N ATOM 320 CA VAL A 299 2.485 -0.626 3.454 1.00 15.00 C ATOM 321 C VAL A 299 2.181 0.373 4.576 1.00 15.00 C ATOM 322 O VAL A 299 2.465 1.573 4.480 1.00 15.00 O ATOM 323 CB VAL A 299 3.798 -0.273 2.723 1.00 15.00 C ATOM 324 CG1 VAL A 299 4.202 -1.400 1.777 1.00 15.00 C ATOM 325 CG2 VAL A 299 3.631 1.009 1.924 1.00 15.00 C ATOM 0 H VAL A 299 1.048 0.345 2.368 1.00 15.00 H new ATOM 0 HA VAL A 299 2.603 -1.620 3.886 1.00 15.00 H new ATOM 0 HB VAL A 299 4.576 -0.135 3.474 1.00 15.00 H new ATOM 0 HG11 VAL A 299 5.130 -1.134 1.270 1.00 15.00 H new ATOM 0 HG12 VAL A 299 4.350 -2.318 2.346 1.00 15.00 H new ATOM 0 HG13 VAL A 299 3.416 -1.554 1.038 1.00 15.00 H new ATOM 0 HG21 VAL A 299 4.565 1.244 1.414 1.00 15.00 H new ATOM 0 HG22 VAL A 299 2.839 0.878 1.187 1.00 15.00 H new ATOM 0 HG23 VAL A 299 3.369 1.826 2.597 1.00 15.00 H new ATOM 335 N ASP A 300 1.524 -0.102 5.613 1.00 15.00 N ATOM 336 CA ASP A 300 1.242 0.752 6.750 1.00 15.00 C ATOM 337 C ASP A 300 2.402 0.626 7.718 1.00 15.00 C ATOM 338 O ASP A 300 2.836 -0.487 8.042 1.00 15.00 O ATOM 339 CB ASP A 300 -0.099 0.393 7.412 1.00 15.00 C ATOM 340 CG ASP A 300 0.052 -0.136 8.828 1.00 15.00 C ATOM 341 OD1 ASP A 300 0.266 0.673 9.754 1.00 15.00 O ATOM 342 OD2 ASP A 300 -0.040 -1.363 9.014 1.00 15.00 O1- ATOM 0 H ASP A 300 1.180 -1.059 5.694 1.00 15.00 H new ATOM 0 HA ASP A 300 1.142 1.787 6.425 1.00 15.00 H new ATOM 0 HB2 ASP A 300 -0.736 1.277 7.428 1.00 15.00 H new ATOM 0 HB3 ASP A 300 -0.607 -0.356 6.804 1.00 15.00 H new ATOM 347 N HIS A 301 2.922 1.773 8.139 1.00 15.00 N ATOM 348 CA HIS A 301 4.183 1.817 8.866 1.00 15.00 C ATOM 349 C HIS A 301 3.998 1.572 10.362 1.00 15.00 C ATOM 350 O HIS A 301 4.944 1.192 11.049 1.00 15.00 O ATOM 351 CB HIS A 301 4.890 3.166 8.688 1.00 15.00 C ATOM 352 CG HIS A 301 5.229 3.562 7.275 1.00 15.00 C ATOM 353 ND1 HIS A 301 5.293 4.875 6.877 1.00 15.00 N ATOM 354 CD2 HIS A 301 5.625 2.836 6.200 1.00 15.00 C ATOM 355 CE1 HIS A 301 5.719 4.939 5.634 1.00 15.00 C ATOM 356 NE2 HIS A 301 5.938 3.716 5.194 1.00 15.00 N ATOM 0 H HIS A 301 2.489 2.684 7.989 1.00 15.00 H new ATOM 0 HA HIS A 301 4.793 1.018 8.444 1.00 15.00 H new ATOM 0 HB2 HIS A 301 4.258 3.943 9.118 1.00 15.00 H new ATOM 0 HB3 HIS A 301 5.812 3.148 9.269 1.00 15.00 H new ATOM 0 HD1 HIS A 301 5.048 5.678 7.457 1.00 15.00 H new ATOM 0 HD2 HIS A 301 5.684 1.759 6.145 1.00 15.00 H new ATOM 0 HE1 HIS A 301 5.865 5.846 5.066 1.00 15.00 H new ATOM 365 N ASN A 302 2.798 1.808 10.878 1.00 15.00 N ATOM 366 CA ASN A 302 2.591 1.739 12.322 1.00 15.00 C ATOM 367 C ASN A 302 2.196 0.339 12.772 1.00 15.00 C ATOM 368 O ASN A 302 2.729 -0.170 13.756 1.00 15.00 O ATOM 369 CB ASN A 302 1.573 2.785 12.812 1.00 15.00 C ATOM 370 CG ASN A 302 0.289 2.812 12.005 1.00 15.00 C ATOM 371 OD1 ASN A 302 0.176 3.553 11.031 1.00 15.00 O ATOM 372 ND2 ASN A 302 -0.689 2.019 12.415 1.00 15.00 N ATOM 0 H ASN A 302 1.969 2.044 10.333 1.00 15.00 H new ATOM 0 HA ASN A 302 3.550 1.976 12.784 1.00 15.00 H new ATOM 0 HB2 ASN A 302 1.332 2.583 13.855 1.00 15.00 H new ATOM 0 HB3 ASN A 302 2.034 3.772 12.777 1.00 15.00 H new ATOM 0 HD21 ASN A 302 -1.579 2.008 11.917 1.00 15.00 H new ATOM 0 HD22 ASN A 302 -0.552 1.420 13.229 1.00 15.00 H new ATOM 379 N ASN A 303 1.260 -0.284 12.071 1.00 15.00 N ATOM 380 CA ASN A 303 0.877 -1.657 12.387 1.00 15.00 C ATOM 381 C ASN A 303 1.704 -2.646 11.571 1.00 15.00 C ATOM 382 O ASN A 303 1.739 -3.841 11.882 1.00 15.00 O ATOM 383 CB ASN A 303 -0.620 -1.894 12.130 1.00 15.00 C ATOM 384 CG ASN A 303 -1.527 -1.150 13.099 1.00 15.00 C ATOM 385 OD1 ASN A 303 -2.645 -0.762 12.751 1.00 15.00 O ATOM 386 ND2 ASN A 303 -1.068 -0.948 14.325 1.00 15.00 N ATOM 0 H ASN A 303 0.755 0.131 11.288 1.00 15.00 H new ATOM 0 HA ASN A 303 1.073 -1.816 13.447 1.00 15.00 H new ATOM 0 HB2 ASN A 303 -0.859 -1.586 11.112 1.00 15.00 H new ATOM 0 HB3 ASN A 303 -0.828 -2.962 12.197 1.00 15.00 H new ATOM 0 HD21 ASN A 303 -1.644 -0.460 15.011 1.00 15.00 H new ATOM 0 HD22 ASN A 303 -0.139 -1.281 14.583 1.00 15.00 H new ATOM 393 N ARG A 304 2.366 -2.128 10.533 1.00 15.00 N ATOM 394 CA ARG A 304 3.148 -2.929 9.596 1.00 15.00 C ATOM 395 C ARG A 304 2.287 -4.004 8.948 1.00 15.00 C ATOM 396 O ARG A 304 2.245 -5.150 9.400 1.00 15.00 O ATOM 397 CB ARG A 304 4.389 -3.532 10.264 1.00 15.00 C ATOM 398 CG ARG A 304 5.214 -4.425 9.346 1.00 15.00 C ATOM 399 CD ARG A 304 6.561 -4.772 9.961 1.00 15.00 C ATOM 400 NE ARG A 304 6.437 -5.287 11.320 1.00 15.00 N ATOM 401 CZ ARG A 304 7.471 -5.562 12.109 1.00 15.00 C ATOM 402 NH1 ARG A 304 8.712 -5.470 11.644 1.00 15.00 N1+ ATOM 403 NH2 ARG A 304 7.258 -5.950 13.357 1.00 15.00 N ATOM 0 H ARG A 304 2.372 -1.131 10.320 1.00 15.00 H new ATOM 0 HA ARG A 304 3.501 -2.263 8.808 1.00 15.00 H new ATOM 0 HB2 ARG A 304 5.021 -2.723 10.631 1.00 15.00 H new ATOM 0 HB3 ARG A 304 4.076 -4.111 11.133 1.00 15.00 H new ATOM 0 HG2 ARG A 304 4.662 -5.342 9.138 1.00 15.00 H new ATOM 0 HG3 ARG A 304 5.368 -3.922 8.391 1.00 15.00 H new ATOM 0 HD2 ARG A 304 7.061 -5.514 9.339 1.00 15.00 H new ATOM 0 HD3 ARG A 304 7.193 -3.884 9.968 1.00 15.00 H new ATOM 0 HE ARG A 304 5.499 -5.446 11.688 1.00 15.00 H new ATOM 0 HH11 ARG A 304 8.875 -5.187 10.678 1.00 15.00 H new ATOM 0 HH12 ARG A 304 9.502 -5.682 12.253 1.00 15.00 H new ATOM 0 HH21 ARG A 304 6.304 -6.037 13.708 1.00 15.00 H new ATOM 0 HH22 ARG A 304 8.048 -6.162 13.967 1.00 15.00 H new ATOM 417 N THR A 305 1.554 -3.603 7.921 1.00 15.00 N ATOM 418 CA THR A 305 0.679 -4.527 7.206 1.00 15.00 C ATOM 419 C THR A 305 0.829 -4.390 5.696 1.00 15.00 C ATOM 420 O THR A 305 1.153 -3.313 5.190 1.00 15.00 O ATOM 421 CB THR A 305 -0.804 -4.335 7.585 1.00 15.00 C ATOM 422 OG1 THR A 305 -1.189 -2.966 7.418 1.00 15.00 O ATOM 423 CG2 THR A 305 -1.070 -4.770 9.019 1.00 15.00 C ATOM 0 H THR A 305 1.545 -2.648 7.563 1.00 15.00 H new ATOM 0 HA THR A 305 0.990 -5.527 7.508 1.00 15.00 H new ATOM 0 HB THR A 305 -1.398 -4.961 6.920 1.00 15.00 H new ATOM 0 HG1 THR A 305 -1.021 -2.475 8.249 1.00 15.00 H new ATOM 0 HG21 THR A 305 -2.124 -4.622 9.255 1.00 15.00 H new ATOM 0 HG22 THR A 305 -0.818 -5.824 9.132 1.00 15.00 H new ATOM 0 HG23 THR A 305 -0.459 -4.176 9.699 1.00 15.00 H new ATOM 431 N THR A 306 0.608 -5.495 4.990 1.00 15.00 N ATOM 432 CA THR A 306 0.721 -5.533 3.540 1.00 15.00 C ATOM 433 C THR A 306 -0.581 -6.022 2.895 1.00 15.00 C ATOM 434 O THR A 306 -1.059 -7.116 3.197 1.00 15.00 O ATOM 435 CB THR A 306 1.884 -6.449 3.123 1.00 15.00 C ATOM 436 OG1 THR A 306 1.849 -7.665 3.892 1.00 15.00 O ATOM 437 CG2 THR A 306 3.218 -5.752 3.332 1.00 15.00 C ATOM 0 H THR A 306 0.346 -6.387 5.409 1.00 15.00 H new ATOM 0 HA THR A 306 0.916 -4.519 3.192 1.00 15.00 H new ATOM 0 HB THR A 306 1.775 -6.684 2.064 1.00 15.00 H new ATOM 0 HG1 THR A 306 0.921 -7.962 3.992 1.00 15.00 H new ATOM 0 HG21 THR A 306 4.027 -6.417 3.031 1.00 15.00 H new ATOM 0 HG22 THR A 306 3.252 -4.844 2.730 1.00 15.00 H new ATOM 0 HG23 THR A 306 3.333 -5.494 4.385 1.00 15.00 H new ATOM 445 N GLN A 307 -1.152 -5.208 2.008 1.00 15.00 N ATOM 446 CA GLN A 307 -2.435 -5.533 1.370 1.00 15.00 C ATOM 447 C GLN A 307 -2.448 -5.107 -0.095 1.00 15.00 C ATOM 448 O GLN A 307 -1.824 -4.127 -0.459 1.00 15.00 O ATOM 449 CB GLN A 307 -3.582 -4.825 2.102 1.00 15.00 C ATOM 450 CG GLN A 307 -3.912 -5.418 3.463 1.00 15.00 C ATOM 451 CD GLN A 307 -4.537 -6.800 3.366 1.00 15.00 C ATOM 452 OE1 GLN A 307 -4.250 -7.569 2.449 1.00 15.00 O ATOM 453 NE2 GLN A 307 -5.407 -7.118 4.306 1.00 15.00 N ATOM 0 H GLN A 307 -0.750 -4.318 1.713 1.00 15.00 H new ATOM 0 HA GLN A 307 -2.566 -6.614 1.425 1.00 15.00 H new ATOM 0 HB2 GLN A 307 -3.323 -3.774 2.229 1.00 15.00 H new ATOM 0 HB3 GLN A 307 -4.474 -4.860 1.477 1.00 15.00 H new ATOM 0 HG2 GLN A 307 -3.001 -5.477 4.059 1.00 15.00 H new ATOM 0 HG3 GLN A 307 -4.595 -4.751 3.989 1.00 15.00 H new ATOM 0 HE21 GLN A 307 -5.619 -6.454 5.050 1.00 15.00 H new ATOM 0 HE22 GLN A 307 -5.867 -8.028 4.288 1.00 15.00 H new ATOM 462 N PHE A 308 -3.173 -5.835 -0.935 1.00 15.00 N ATOM 463 CA PHE A 308 -3.364 -5.407 -2.320 1.00 15.00 C ATOM 464 C PHE A 308 -4.721 -4.736 -2.521 1.00 15.00 C ATOM 465 O PHE A 308 -4.957 -4.086 -3.537 1.00 15.00 O ATOM 466 CB PHE A 308 -3.191 -6.570 -3.305 1.00 15.00 C ATOM 467 CG PHE A 308 -1.780 -6.739 -3.789 1.00 15.00 C ATOM 468 CD1 PHE A 308 -1.114 -5.674 -4.378 1.00 15.00 C ATOM 469 CD2 PHE A 308 -1.125 -7.953 -3.685 1.00 15.00 C ATOM 470 CE1 PHE A 308 0.177 -5.817 -4.846 1.00 15.00 C ATOM 471 CE2 PHE A 308 0.162 -8.096 -4.147 1.00 15.00 C ATOM 472 CZ PHE A 308 0.816 -7.028 -4.727 1.00 15.00 C ATOM 0 H PHE A 308 -3.633 -6.712 -0.690 1.00 15.00 H new ATOM 0 HA PHE A 308 -2.588 -4.671 -2.529 1.00 15.00 H new ATOM 0 HB2 PHE A 308 -3.515 -7.493 -2.825 1.00 15.00 H new ATOM 0 HB3 PHE A 308 -3.844 -6.410 -4.163 1.00 15.00 H new ATOM 0 HD1 PHE A 308 -1.612 -4.720 -4.472 1.00 15.00 H new ATOM 0 HD2 PHE A 308 -1.629 -8.796 -3.237 1.00 15.00 H new ATOM 0 HE1 PHE A 308 0.683 -4.980 -5.304 1.00 15.00 H new ATOM 0 HE2 PHE A 308 0.663 -9.048 -4.056 1.00 15.00 H new ATOM 0 HZ PHE A 308 1.828 -7.144 -5.087 1.00 15.00 H new ATOM 482 N THR A 309 -5.613 -4.901 -1.556 1.00 15.00 N ATOM 483 CA THR A 309 -6.941 -4.317 -1.647 1.00 15.00 C ATOM 484 C THR A 309 -6.935 -2.858 -1.178 1.00 15.00 C ATOM 485 O THR A 309 -6.528 -2.551 -0.054 1.00 15.00 O ATOM 486 CB THR A 309 -7.974 -5.141 -0.834 1.00 15.00 C ATOM 487 OG1 THR A 309 -9.248 -4.483 -0.823 1.00 15.00 O ATOM 488 CG2 THR A 309 -7.503 -5.367 0.597 1.00 15.00 C ATOM 0 H THR A 309 -5.441 -5.433 -0.703 1.00 15.00 H new ATOM 0 HA THR A 309 -7.237 -4.339 -2.696 1.00 15.00 H new ATOM 0 HB THR A 309 -8.074 -6.111 -1.321 1.00 15.00 H new ATOM 0 HG1 THR A 309 -9.888 -5.017 -0.307 1.00 15.00 H new ATOM 0 HG21 THR A 309 -8.250 -5.947 1.139 1.00 15.00 H new ATOM 0 HG22 THR A 309 -6.558 -5.910 0.588 1.00 15.00 H new ATOM 0 HG23 THR A 309 -7.363 -4.405 1.090 1.00 15.00 H new ATOM 496 N ASP A 310 -7.364 -1.963 -2.060 1.00 15.00 N ATOM 497 CA ASP A 310 -7.494 -0.552 -1.717 1.00 15.00 C ATOM 498 C ASP A 310 -8.919 -0.277 -1.252 1.00 15.00 C ATOM 499 O ASP A 310 -9.873 -0.466 -2.010 1.00 15.00 O ATOM 500 CB ASP A 310 -7.148 0.339 -2.921 1.00 15.00 C ATOM 501 CG ASP A 310 -7.011 1.815 -2.563 1.00 15.00 C ATOM 502 OD1 ASP A 310 -7.828 2.334 -1.774 1.00 15.00 O ATOM 503 OD2 ASP A 310 -6.091 2.470 -3.093 1.00 15.00 O1- ATOM 0 H ASP A 310 -7.628 -2.190 -3.019 1.00 15.00 H new ATOM 0 HA ASP A 310 -6.795 -0.318 -0.914 1.00 15.00 H new ATOM 0 HB2 ASP A 310 -6.214 -0.008 -3.364 1.00 15.00 H new ATOM 0 HB3 ASP A 310 -7.922 0.227 -3.680 1.00 15.00 H new ATOM 508 N PRO A 311 -9.076 0.166 0.002 1.00 15.00 N ATOM 509 CA PRO A 311 -10.390 0.424 0.609 1.00 15.00 C ATOM 510 C PRO A 311 -11.126 1.603 -0.032 1.00 15.00 C ATOM 511 O PRO A 311 -12.319 1.808 0.200 1.00 15.00 O ATOM 512 CB PRO A 311 -10.059 0.722 2.073 1.00 15.00 C ATOM 513 CG PRO A 311 -8.650 1.201 2.055 1.00 15.00 C ATOM 514 CD PRO A 311 -7.974 0.458 0.937 1.00 15.00 C ATOM 0 HA PRO A 311 -11.064 -0.422 0.475 1.00 15.00 H new ATOM 0 HB2 PRO A 311 -10.728 1.478 2.484 1.00 15.00 H new ATOM 0 HB3 PRO A 311 -10.166 -0.169 2.692 1.00 15.00 H new ATOM 0 HG2 PRO A 311 -8.606 2.278 1.891 1.00 15.00 H new ATOM 0 HG3 PRO A 311 -8.159 1.004 3.008 1.00 15.00 H new ATOM 0 HD2 PRO A 311 -7.197 1.061 0.466 1.00 15.00 H new ATOM 0 HD3 PRO A 311 -7.497 -0.455 1.293 1.00 15.00 H new ATOM 522 N ARG A 312 -10.401 2.404 -0.800 1.00 15.00 N ATOM 523 CA ARG A 312 -10.971 3.593 -1.413 1.00 15.00 C ATOM 524 C ARG A 312 -11.595 3.282 -2.769 1.00 15.00 C ATOM 525 O ARG A 312 -12.346 4.095 -3.311 1.00 15.00 O ATOM 526 CB ARG A 312 -9.902 4.669 -1.574 1.00 15.00 C ATOM 527 CG ARG A 312 -9.227 5.049 -0.271 1.00 15.00 C ATOM 528 CD ARG A 312 -7.971 5.855 -0.528 1.00 15.00 C ATOM 529 NE ARG A 312 -7.054 5.133 -1.405 1.00 15.00 N ATOM 530 CZ ARG A 312 -6.075 5.709 -2.095 1.00 15.00 C ATOM 531 NH1 ARG A 312 -5.871 7.017 -2.005 1.00 15.00 N1+ ATOM 532 NH2 ARG A 312 -5.302 4.974 -2.880 1.00 15.00 N ATOM 0 H ARG A 312 -9.415 2.251 -1.013 1.00 15.00 H new ATOM 0 HA ARG A 312 -11.758 3.957 -0.753 1.00 15.00 H new ATOM 0 HB2 ARG A 312 -9.146 4.317 -2.277 1.00 15.00 H new ATOM 0 HB3 ARG A 312 -10.355 5.558 -2.012 1.00 15.00 H new ATOM 0 HG2 ARG A 312 -9.916 5.628 0.345 1.00 15.00 H new ATOM 0 HG3 ARG A 312 -8.978 4.148 0.290 1.00 15.00 H new ATOM 0 HD2 ARG A 312 -8.235 6.811 -0.980 1.00 15.00 H new ATOM 0 HD3 ARG A 312 -7.477 6.076 0.418 1.00 15.00 H new ATOM 0 HE ARG A 312 -7.172 4.124 -1.494 1.00 15.00 H new ATOM 0 HH11 ARG A 312 -6.467 7.586 -1.404 1.00 15.00 H new ATOM 0 HH12 ARG A 312 -5.118 7.454 -2.537 1.00 15.00 H new ATOM 0 HH21 ARG A 312 -5.459 3.969 -2.954 1.00 15.00 H new ATOM 0 HH22 ARG A 312 -4.550 5.413 -3.411 1.00 15.00 H new ATOM 546 N LEU A 313 -11.272 2.118 -3.316 1.00 15.00 N ATOM 547 CA LEU A 313 -11.783 1.726 -4.621 1.00 15.00 C ATOM 548 C LEU A 313 -13.172 1.113 -4.489 1.00 15.00 C ATOM 549 O LEU A 313 -14.152 1.745 -4.939 1.00 15.00 O ATOM 550 CB LEU A 313 -10.829 0.739 -5.305 1.00 15.00 C ATOM 551 CG LEU A 313 -9.448 1.297 -5.657 1.00 15.00 C ATOM 552 CD1 LEU A 313 -8.589 0.212 -6.293 1.00 15.00 C ATOM 553 CD2 LEU A 313 -9.574 2.497 -6.586 1.00 15.00 C ATOM 0 H LEU A 313 -10.660 1.430 -2.877 1.00 15.00 H new ATOM 0 HA LEU A 313 -11.854 2.620 -5.240 1.00 15.00 H new ATOM 0 HB2 LEU A 313 -10.698 -0.124 -4.653 1.00 15.00 H new ATOM 0 HB3 LEU A 313 -11.300 0.379 -6.219 1.00 15.00 H new ATOM 0 HG LEU A 313 -8.963 1.630 -4.739 1.00 15.00 H new ATOM 0 HD11 LEU A 313 -7.609 0.621 -6.539 1.00 15.00 H new ATOM 0 HD12 LEU A 313 -8.471 -0.616 -5.594 1.00 15.00 H new ATOM 0 HD13 LEU A 313 -9.071 -0.147 -7.202 1.00 15.00 H new ATOM 0 HD21 LEU A 313 -8.581 2.879 -6.824 1.00 15.00 H new ATOM 0 HD22 LEU A 313 -10.076 2.195 -7.505 1.00 15.00 H new ATOM 0 HD23 LEU A 313 -10.155 3.278 -6.095 1.00 15.00 H new TER 565 LEU A 313 ATOM 566 N ASP B 221 -2.112 -9.321 -7.905 1.00 15.00 N ATOM 567 CA ASP B 221 -0.681 -9.156 -8.248 1.00 15.00 C ATOM 568 C ASP B 221 0.169 -10.024 -7.336 1.00 15.00 C ATOM 569 O ASP B 221 -0.312 -10.489 -6.302 1.00 15.00 O ATOM 570 CB ASP B 221 -0.267 -7.679 -8.143 1.00 15.00 C ATOM 571 CG ASP B 221 -1.029 -6.812 -9.125 1.00 15.00 C ATOM 572 OD1 ASP B 221 -2.241 -6.606 -8.923 1.00 15.00 O1- ATOM 573 OD2 ASP B 221 -0.429 -6.355 -10.120 1.00 15.00 O ATOM 0 HA ASP B 221 -0.523 -9.474 -9.279 1.00 15.00 H new ATOM 0 HB2 ASP B 221 -0.445 -7.322 -7.128 1.00 15.00 H new ATOM 0 HB3 ASP B 221 0.803 -7.587 -8.330 1.00 15.00 H new ATOM 578 N THR B 222 1.418 -10.254 -7.734 1.00 15.00 N ATOM 579 CA THR B 222 2.342 -11.088 -6.964 1.00 15.00 C ATOM 580 C THR B 222 2.406 -10.629 -5.506 1.00 15.00 C ATOM 581 O THR B 222 2.453 -9.430 -5.242 1.00 15.00 O ATOM 582 CB THR B 222 3.754 -11.083 -7.611 1.00 15.00 C ATOM 583 OG1 THR B 222 4.643 -11.964 -6.910 1.00 15.00 O ATOM 584 CG2 THR B 222 4.347 -9.679 -7.644 1.00 15.00 C ATOM 0 H THR B 222 1.817 -9.872 -8.591 1.00 15.00 H new ATOM 0 HA THR B 222 1.967 -12.111 -6.976 1.00 15.00 H new ATOM 0 HB THR B 222 3.638 -11.435 -8.636 1.00 15.00 H new ATOM 0 HG1 THR B 222 4.593 -12.860 -7.303 1.00 15.00 H new ATOM 0 HG21 THR B 222 5.335 -9.712 -8.103 1.00 15.00 H new ATOM 0 HG22 THR B 222 3.699 -9.024 -8.226 1.00 15.00 H new ATOM 0 HG23 THR B 222 4.432 -9.296 -6.627 1.00 15.00 H new ATOM 592 N PRO B 223 2.449 -11.587 -4.550 1.00 15.00 N ATOM 593 CA PRO B 223 2.217 -11.322 -3.123 1.00 15.00 C ATOM 594 C PRO B 223 3.018 -10.133 -2.594 1.00 15.00 C ATOM 595 O PRO B 223 4.211 -9.990 -2.890 1.00 15.00 O ATOM 596 CB PRO B 223 2.661 -12.619 -2.426 1.00 15.00 C ATOM 597 CG PRO B 223 3.297 -13.460 -3.485 1.00 15.00 C ATOM 598 CD PRO B 223 2.710 -13.010 -4.789 1.00 15.00 C ATOM 0 HA PRO B 223 1.175 -11.059 -2.939 1.00 15.00 H new ATOM 0 HB2 PRO B 223 3.365 -12.408 -1.621 1.00 15.00 H new ATOM 0 HB3 PRO B 223 1.810 -13.133 -1.979 1.00 15.00 H new ATOM 0 HG2 PRO B 223 4.380 -13.335 -3.482 1.00 15.00 H new ATOM 0 HG3 PRO B 223 3.098 -14.518 -3.313 1.00 15.00 H new ATOM 0 HD2 PRO B 223 3.401 -13.161 -5.618 1.00 15.00 H new ATOM 0 HD3 PRO B 223 1.797 -13.554 -5.032 1.00 15.00 H new ATOM 606 N PRO B 224 2.362 -9.285 -1.771 1.00 15.00 N ATOM 607 CA PRO B 224 2.880 -7.967 -1.400 1.00 15.00 C ATOM 608 C PRO B 224 4.277 -7.999 -0.793 1.00 15.00 C ATOM 609 O PRO B 224 4.562 -8.769 0.129 1.00 15.00 O ATOM 610 CB PRO B 224 1.865 -7.421 -0.388 1.00 15.00 C ATOM 611 CG PRO B 224 1.007 -8.574 0.003 1.00 15.00 C ATOM 612 CD PRO B 224 1.067 -9.565 -1.122 1.00 15.00 C ATOM 0 HA PRO B 224 2.989 -7.344 -2.287 1.00 15.00 H new ATOM 0 HB2 PRO B 224 2.370 -6.999 0.481 1.00 15.00 H new ATOM 0 HB3 PRO B 224 1.267 -6.623 -0.828 1.00 15.00 H new ATOM 0 HG2 PRO B 224 1.362 -9.022 0.931 1.00 15.00 H new ATOM 0 HG3 PRO B 224 -0.019 -8.250 0.177 1.00 15.00 H new ATOM 0 HD2 PRO B 224 1.017 -10.590 -0.755 1.00 15.00 H new ATOM 0 HD3 PRO B 224 0.236 -9.434 -1.815 1.00 15.00 H new ATOM 620 N PRO B 225 5.167 -7.170 -1.356 1.00 15.00 N ATOM 621 CA PRO B 225 6.521 -6.933 -0.830 1.00 15.00 C ATOM 622 C PRO B 225 6.520 -6.467 0.624 1.00 15.00 C ATOM 623 O PRO B 225 5.466 -6.174 1.188 1.00 15.00 O ATOM 624 CB PRO B 225 7.033 -5.798 -1.719 1.00 15.00 C ATOM 625 CG PRO B 225 6.277 -5.928 -2.987 1.00 15.00 C ATOM 626 CD PRO B 225 4.916 -6.404 -2.592 1.00 15.00 C ATOM 0 HA PRO B 225 7.122 -7.842 -0.844 1.00 15.00 H new ATOM 0 HB2 PRO B 225 6.861 -4.826 -1.256 1.00 15.00 H new ATOM 0 HB3 PRO B 225 8.106 -5.884 -1.889 1.00 15.00 H new ATOM 0 HG2 PRO B 225 6.222 -4.974 -3.511 1.00 15.00 H new ATOM 0 HG3 PRO B 225 6.760 -6.635 -3.661 1.00 15.00 H new ATOM 0 HD2 PRO B 225 4.234 -5.572 -2.417 1.00 15.00 H new ATOM 0 HD3 PRO B 225 4.468 -7.026 -3.366 1.00 15.00 H new ATOM 634 N ALA B 226 7.711 -6.366 1.214 1.00 15.00 N ATOM 635 CA ALA B 226 7.852 -5.780 2.542 1.00 15.00 C ATOM 636 C ALA B 226 7.393 -4.328 2.505 1.00 15.00 C ATOM 637 O ALA B 226 7.271 -3.741 1.425 1.00 15.00 O ATOM 638 CB ALA B 226 9.293 -5.880 3.022 1.00 15.00 C ATOM 0 H ALA B 226 8.586 -6.681 0.794 1.00 15.00 H new ATOM 0 HA ALA B 226 7.229 -6.332 3.246 1.00 15.00 H new ATOM 0 HB1 ALA B 226 9.377 -5.437 4.014 1.00 15.00 H new ATOM 0 HB2 ALA B 226 9.590 -6.928 3.066 1.00 15.00 H new ATOM 0 HB3 ALA B 226 9.945 -5.347 2.330 1.00 15.00 H new ATOM 644 N TYR B 227 7.168 -3.727 3.661 1.00 15.00 N ATOM 645 CA TYR B 227 6.559 -2.413 3.670 1.00 15.00 C ATOM 646 C TYR B 227 7.612 -1.319 3.605 1.00 15.00 C ATOM 647 O TYR B 227 8.615 -1.332 4.323 1.00 15.00 O ATOM 648 CB TYR B 227 5.646 -2.209 4.885 1.00 15.00 C ATOM 649 CG TYR B 227 6.355 -1.642 6.099 1.00 15.00 C ATOM 650 CD1 TYR B 227 7.088 -2.452 6.956 1.00 15.00 C ATOM 651 CD2 TYR B 227 6.313 -0.282 6.360 1.00 15.00 C ATOM 652 CE1 TYR B 227 7.759 -1.913 8.040 1.00 15.00 C ATOM 653 CE2 TYR B 227 6.974 0.263 7.438 1.00 15.00 C ATOM 654 CZ TYR B 227 7.700 -0.555 8.276 1.00 15.00 C ATOM 655 OH TYR B 227 8.371 -0.014 9.351 1.00 15.00 O ATOM 0 H TYR B 227 7.390 -4.115 4.578 1.00 15.00 H new ATOM 0 HA TYR B 227 5.937 -2.348 2.777 1.00 15.00 H new ATOM 0 HB2 TYR B 227 4.832 -1.540 4.607 1.00 15.00 H new ATOM 0 HB3 TYR B 227 5.196 -3.165 5.153 1.00 15.00 H new ATOM 0 HD1 TYR B 227 7.135 -3.516 6.775 1.00 15.00 H new ATOM 0 HD2 TYR B 227 5.750 0.365 5.704 1.00 15.00 H new ATOM 0 HE1 TYR B 227 8.327 -2.553 8.699 1.00 15.00 H new ATOM 0 HE2 TYR B 227 6.924 1.325 7.626 1.00 15.00 H new ATOM 0 HH TYR B 227 8.227 0.955 9.373 1.00 15.00 H new ATOM 665 N LEU B 228 7.350 -0.376 2.729 1.00 15.00 N ATOM 666 CA LEU B 228 8.235 0.734 2.467 1.00 15.00 C ATOM 667 C LEU B 228 7.446 2.032 2.524 1.00 15.00 C ATOM 668 O LEU B 228 6.232 2.013 2.425 1.00 15.00 O ATOM 669 CB LEU B 228 8.904 0.573 1.096 1.00 15.00 C ATOM 670 CG LEU B 228 9.776 -0.676 0.936 1.00 15.00 C ATOM 671 CD1 LEU B 228 10.295 -0.780 -0.490 1.00 15.00 C ATOM 672 CD2 LEU B 228 10.930 -0.645 1.926 1.00 15.00 C ATOM 0 H LEU B 228 6.498 -0.360 2.168 1.00 15.00 H new ATOM 0 HA LEU B 228 9.017 0.756 3.226 1.00 15.00 H new ATOM 0 HB2 LEU B 228 8.128 0.554 0.331 1.00 15.00 H new ATOM 0 HB3 LEU B 228 9.519 1.452 0.905 1.00 15.00 H new ATOM 0 HG LEU B 228 9.168 -1.556 1.145 1.00 15.00 H new ATOM 0 HD11 LEU B 228 10.913 -1.672 -0.588 1.00 15.00 H new ATOM 0 HD12 LEU B 228 9.453 -0.844 -1.180 1.00 15.00 H new ATOM 0 HD13 LEU B 228 10.891 0.102 -0.725 1.00 15.00 H new ATOM 0 HD21 LEU B 228 11.541 -1.539 1.801 1.00 15.00 H new ATOM 0 HD22 LEU B 228 11.540 0.240 1.746 1.00 15.00 H new ATOM 0 HD23 LEU B 228 10.537 -0.614 2.942 1.00 15.00 H new ATOM 684 N PRO B 229 8.099 3.179 2.690 1.00 15.00 N ATOM 685 CA PRO B 229 7.400 4.452 2.620 1.00 15.00 C ATOM 686 C PRO B 229 7.372 4.937 1.175 1.00 15.00 C ATOM 687 O PRO B 229 8.258 4.610 0.387 1.00 15.00 O ATOM 688 CB PRO B 229 8.270 5.384 3.482 1.00 15.00 C ATOM 689 CG PRO B 229 9.349 4.518 4.053 1.00 15.00 C ATOM 690 CD PRO B 229 9.480 3.346 3.126 1.00 15.00 C ATOM 0 HA PRO B 229 6.366 4.404 2.962 1.00 15.00 H new ATOM 0 HB2 PRO B 229 8.692 6.191 2.883 1.00 15.00 H new ATOM 0 HB3 PRO B 229 7.681 5.849 4.273 1.00 15.00 H new ATOM 0 HG2 PRO B 229 10.289 5.064 4.125 1.00 15.00 H new ATOM 0 HG3 PRO B 229 9.093 4.191 5.061 1.00 15.00 H new ATOM 0 HD2 PRO B 229 10.153 3.552 2.294 1.00 15.00 H new ATOM 0 HD3 PRO B 229 9.862 2.460 3.633 1.00 15.00 H new ATOM 698 N PRO B 230 6.365 5.742 0.807 1.00 15.00 N ATOM 699 CA PRO B 230 5.843 5.738 -0.554 1.00 15.00 C ATOM 700 C PRO B 230 6.523 6.698 -1.517 1.00 15.00 C ATOM 701 O PRO B 230 6.779 7.859 -1.204 1.00 15.00 O ATOM 702 CB PRO B 230 4.401 6.167 -0.316 1.00 15.00 C ATOM 703 CG PRO B 230 4.482 7.150 0.806 1.00 15.00 C ATOM 704 CD PRO B 230 5.660 6.737 1.652 1.00 15.00 C ATOM 0 HA PRO B 230 5.992 4.772 -1.036 1.00 15.00 H new ATOM 0 HB2 PRO B 230 3.969 6.619 -1.209 1.00 15.00 H new ATOM 0 HB3 PRO B 230 3.772 5.316 -0.053 1.00 15.00 H new ATOM 0 HG2 PRO B 230 4.614 8.163 0.426 1.00 15.00 H new ATOM 0 HG3 PRO B 230 3.563 7.146 1.392 1.00 15.00 H new ATOM 0 HD2 PRO B 230 6.300 7.587 1.890 1.00 15.00 H new ATOM 0 HD3 PRO B 230 5.341 6.304 2.600 1.00 15.00 H new ATOM 712 N GLU B 231 6.810 6.178 -2.703 1.00 15.00 N ATOM 713 CA GLU B 231 7.285 6.989 -3.804 1.00 15.00 C ATOM 714 C GLU B 231 6.121 7.259 -4.771 1.00 15.00 C ATOM 715 O GLU B 231 5.739 6.385 -5.546 1.00 15.00 O ATOM 716 CB GLU B 231 8.458 6.303 -4.529 1.00 15.00 C ATOM 717 CG GLU B 231 8.166 4.901 -5.073 1.00 15.00 C ATOM 718 CD GLU B 231 9.348 4.335 -5.829 1.00 15.00 C ATOM 719 OE1 GLU B 231 9.590 4.767 -6.973 1.00 15.00 O ATOM 720 OE2 GLU B 231 10.039 3.451 -5.281 1.00 15.00 O1- ATOM 0 H GLU B 231 6.719 5.186 -2.923 1.00 15.00 H new ATOM 0 HA GLU B 231 7.655 7.938 -3.416 1.00 15.00 H new ATOM 0 HB2 GLU B 231 8.771 6.938 -5.358 1.00 15.00 H new ATOM 0 HB3 GLU B 231 9.301 6.239 -3.840 1.00 15.00 H new ATOM 0 HG2 GLU B 231 7.910 4.237 -4.248 1.00 15.00 H new ATOM 0 HG3 GLU B 231 7.298 4.940 -5.731 1.00 15.00 H new ATOM 727 N ASP B 232 5.507 8.436 -4.688 1.00 15.00 N ATOM 728 CA ASP B 232 4.351 8.730 -5.520 1.00 15.00 C ATOM 729 C ASP B 232 4.444 10.133 -6.103 1.00 15.00 C ATOM 730 O ASP B 232 4.567 11.115 -5.364 1.00 15.00 O ATOM 731 CB ASP B 232 3.063 8.581 -4.710 1.00 15.00 C ATOM 732 CG ASP B 232 1.833 9.022 -5.481 1.00 15.00 C ATOM 733 OD1 ASP B 232 1.317 8.225 -6.296 1.00 15.00 O1- ATOM 734 OD2 ASP B 232 1.372 10.163 -5.268 1.00 15.00 O ATOM 0 H ASP B 232 5.788 9.190 -4.061 1.00 15.00 H new ATOM 0 HA ASP B 232 4.336 8.017 -6.344 1.00 15.00 H new ATOM 0 HB2 ASP B 232 2.945 7.540 -4.411 1.00 15.00 H new ATOM 0 HB3 ASP B 232 3.144 9.168 -3.795 1.00 15.00 H new ATOM 739 N PRO B 233 4.404 10.234 -7.441 1.00 15.00 N ATOM 740 CA PRO B 233 4.463 11.515 -8.155 1.00 15.00 C ATOM 741 C PRO B 233 3.392 12.494 -7.690 1.00 15.00 C ATOM 742 O PRO B 233 3.702 13.561 -7.158 1.00 15.00 O ATOM 743 CB PRO B 233 4.232 11.124 -9.617 1.00 15.00 C ATOM 744 CG PRO B 233 4.650 9.698 -9.698 1.00 15.00 C ATOM 745 CD PRO B 233 4.307 9.092 -8.368 1.00 15.00 C ATOM 0 HA PRO B 233 5.409 12.029 -7.982 1.00 15.00 H new ATOM 0 HB2 PRO B 233 3.186 11.247 -9.899 1.00 15.00 H new ATOM 0 HB3 PRO B 233 4.819 11.748 -10.291 1.00 15.00 H new ATOM 0 HG2 PRO B 233 4.131 9.184 -10.507 1.00 15.00 H new ATOM 0 HG3 PRO B 233 5.718 9.615 -9.901 1.00 15.00 H new ATOM 0 HD2 PRO B 233 3.307 8.658 -8.369 1.00 15.00 H new ATOM 0 HD3 PRO B 233 5.000 8.295 -8.098 1.00 15.00 H new HETATM 753 N NH2 B 234 2.134 12.140 -7.907 1.00 15.00 N TER 756 NH2 B 234