USER MOD reduce.3.24.130724 H: found=0, std=0, add=298, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 297 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 NoAdj-H: A 13 LYS H : A 13 LYS N : A 11 LEU O :(H bumps) USER MOD Single : A 4 SER OG : rot 104:sc= 2.13 USER MOD Single : A 5 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.5!) USER MOD Single : A 7 THR OG1 : rot 70:sc= 0.0857 USER MOD Single : A 9 SER OG : rot 180:sc= -1.28 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -158:sc= -0.457 (180deg=-1.41) USER MOD Single : A 23 ASN : amide:sc= -19.3! C(o=-19!,f=-23!) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 -11.685 5.883 -9.573 1.00 0.00 N ATOM 2 CA PRO A 1 -12.566 6.561 -8.646 1.00 0.00 C ATOM 3 C PRO A 1 -11.743 7.414 -7.691 1.00 0.00 C ATOM 4 O PRO A 1 -10.890 6.897 -6.972 1.00 0.00 O ATOM 5 CB PRO A 1 -13.286 5.441 -7.899 1.00 0.00 C ATOM 6 CG PRO A 1 -12.257 4.312 -7.908 1.00 0.00 C ATOM 7 CD PRO A 1 -11.599 4.469 -9.277 1.00 0.00 C ATOM 0 H2 PRO A 1 -10.755 6.299 -9.528 1.00 0.00 H new ATOM 0 H3 PRO A 1 -12.025 6.013 -10.526 1.00 0.00 H new ATOM 0 HA PRO A 1 -13.271 7.228 -9.141 1.00 0.00 H new ATOM 0 HB2 PRO A 1 -13.552 5.738 -6.884 1.00 0.00 H new ATOM 0 HB3 PRO A 1 -14.210 5.150 -8.399 1.00 0.00 H new ATOM 0 HG2 PRO A 1 -11.535 4.415 -7.098 1.00 0.00 H new ATOM 0 HG3 PRO A 1 -12.727 3.335 -7.794 1.00 0.00 H new ATOM 0 HD2 PRO A 1 -10.563 4.132 -9.258 1.00 0.00 H new ATOM 0 HD3 PRO A 1 -12.113 3.875 -10.033 1.00 0.00 H new ATOM 15 N PRO A 2 -11.999 8.724 -7.685 1.00 0.00 N ATOM 16 CA PRO A 2 -11.318 9.685 -6.845 1.00 0.00 C ATOM 17 C PRO A 2 -11.775 9.517 -5.403 1.00 0.00 C ATOM 18 O PRO A 2 -12.508 10.354 -4.881 1.00 0.00 O ATOM 19 CB PRO A 2 -11.731 11.048 -7.395 1.00 0.00 C ATOM 20 CG PRO A 2 -13.127 10.778 -7.955 1.00 0.00 C ATOM 21 CD PRO A 2 -12.995 9.365 -8.517 1.00 0.00 C ATOM 0 HA PRO A 2 -10.235 9.562 -6.852 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -11.748 11.810 -6.616 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -11.046 11.397 -8.168 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -13.892 10.836 -7.181 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -13.400 11.497 -8.727 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -13.946 8.833 -8.476 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -12.685 9.383 -9.562 1.00 0.00 H new ATOM 29 N LEU A 3 -11.342 8.430 -4.760 1.00 0.00 N ATOM 30 CA LEU A 3 -11.709 8.157 -3.385 1.00 0.00 C ATOM 31 C LEU A 3 -11.402 6.705 -3.046 1.00 0.00 C ATOM 32 O LEU A 3 -11.696 5.807 -3.831 1.00 0.00 O ATOM 33 CB LEU A 3 -13.192 8.456 -3.186 1.00 0.00 C ATOM 34 CG LEU A 3 -13.354 9.841 -2.566 1.00 0.00 C ATOM 35 CD1 LEU A 3 -14.490 10.582 -3.265 1.00 0.00 C ATOM 36 CD2 LEU A 3 -13.676 9.699 -1.081 1.00 0.00 C ATOM 0 H LEU A 3 -10.734 7.727 -5.180 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.130 8.795 -2.718 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -13.714 8.410 -4.142 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -13.642 7.702 -2.540 1.00 0.00 H new ATOM 0 HG LEU A 3 -12.427 10.403 -2.685 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -14.606 11.571 -2.822 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -14.260 10.684 -4.326 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -15.417 10.021 -3.147 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -13.792 10.688 -0.638 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -14.602 9.137 -0.962 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -12.864 9.170 -0.582 1.00 0.00 H new ATOM 48 N SER A 4 -10.808 6.478 -1.872 1.00 0.00 N ATOM 49 CA SER A 4 -10.466 5.139 -1.437 1.00 0.00 C ATOM 50 C SER A 4 -10.041 5.164 0.025 1.00 0.00 C ATOM 51 O SER A 4 -8.878 5.420 0.331 1.00 0.00 O ATOM 52 CB SER A 4 -9.346 4.589 -2.316 1.00 0.00 C ATOM 53 OG SER A 4 -8.426 3.880 -1.517 1.00 0.00 O ATOM 0 H SER A 4 -10.557 7.212 -1.210 1.00 0.00 H new ATOM 0 HA SER A 4 -11.336 4.489 -1.531 1.00 0.00 H new ATOM 0 HB2 SER A 4 -9.759 3.933 -3.082 1.00 0.00 H new ATOM 0 HB3 SER A 4 -8.841 5.405 -2.833 1.00 0.00 H new ATOM 0 HG SER A 4 -8.557 2.917 -1.644 1.00 0.00 H new ATOM 59 N GLN A 5 -10.987 4.895 0.928 1.00 0.00 N ATOM 60 CA GLN A 5 -10.706 4.888 2.349 1.00 0.00 C ATOM 61 C GLN A 5 -12.002 5.043 3.133 1.00 0.00 C ATOM 62 O GLN A 5 -12.094 4.604 4.277 1.00 0.00 O ATOM 63 CB GLN A 5 -9.736 6.019 2.680 1.00 0.00 C ATOM 64 CG GLN A 5 -10.117 7.266 1.887 1.00 0.00 C ATOM 65 CD GLN A 5 -10.094 8.501 2.775 1.00 0.00 C ATOM 66 OE1 GLN A 5 -9.432 8.512 3.811 1.00 0.00 O ATOM 67 NE2 GLN A 5 -10.820 9.545 2.367 1.00 0.00 N ATOM 0 H GLN A 5 -11.955 4.679 0.690 1.00 0.00 H new ATOM 0 HA GLN A 5 -10.247 3.939 2.628 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -9.761 6.233 3.749 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -8.716 5.720 2.439 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -9.425 7.398 1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -11.111 7.140 1.458 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -11.353 9.488 1.499 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -10.841 10.400 2.923 1.00 0.00 H new ATOM 76 N GLU A 6 -13.005 5.670 2.514 1.00 0.00 N ATOM 77 CA GLU A 6 -14.287 5.876 3.157 1.00 0.00 C ATOM 78 C GLU A 6 -15.403 5.332 2.276 1.00 0.00 C ATOM 79 O GLU A 6 -16.314 6.067 1.899 1.00 0.00 O ATOM 80 CB GLU A 6 -14.486 7.365 3.424 1.00 0.00 C ATOM 81 CG GLU A 6 -14.458 8.128 2.103 1.00 0.00 C ATOM 82 CD GLU A 6 -15.410 9.315 2.140 1.00 0.00 C ATOM 83 OE1 GLU A 6 -15.193 10.189 3.007 1.00 0.00 O ATOM 84 OE2 GLU A 6 -16.337 9.325 1.302 1.00 0.00 O ATOM 0 H GLU A 6 -12.945 6.041 1.566 1.00 0.00 H new ATOM 0 HA GLU A 6 -14.311 5.342 4.107 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -15.436 7.530 3.931 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -13.703 7.734 4.086 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -13.445 8.476 1.901 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.735 7.460 1.287 1.00 0.00 H new ATOM 91 N THR A 7 -15.332 4.040 1.949 1.00 0.00 N ATOM 92 CA THR A 7 -16.337 3.409 1.117 1.00 0.00 C ATOM 93 C THR A 7 -15.899 1.997 0.756 1.00 0.00 C ATOM 94 O THR A 7 -16.352 1.029 1.364 1.00 0.00 O ATOM 95 CB THR A 7 -16.553 4.246 -0.141 1.00 0.00 C ATOM 96 OG1 THR A 7 -17.874 4.740 -0.154 1.00 0.00 O ATOM 97 CG2 THR A 7 -16.322 3.378 -1.375 1.00 0.00 C ATOM 0 H THR A 7 -14.584 3.416 2.253 1.00 0.00 H new ATOM 0 HA THR A 7 -17.278 3.346 1.663 1.00 0.00 H new ATOM 0 HB THR A 7 -15.852 5.081 -0.148 1.00 0.00 H new ATOM 0 HG1 THR A 7 -17.978 5.414 0.550 1.00 0.00 H new ATOM 0 HG21 THR A 7 -16.476 3.975 -2.274 1.00 0.00 H new ATOM 0 HG22 THR A 7 -15.302 2.995 -1.364 1.00 0.00 H new ATOM 0 HG23 THR A 7 -17.023 2.543 -1.369 1.00 0.00 H new ATOM 105 N PHE A 8 -15.014 1.880 -0.236 1.00 0.00 N ATOM 106 CA PHE A 8 -14.520 0.589 -0.671 1.00 0.00 C ATOM 107 C PHE A 8 -13.252 0.236 0.094 1.00 0.00 C ATOM 108 O PHE A 8 -12.797 -0.904 0.051 1.00 0.00 O ATOM 109 CB PHE A 8 -14.254 0.627 -2.173 1.00 0.00 C ATOM 110 CG PHE A 8 -14.241 2.023 -2.748 1.00 0.00 C ATOM 111 CD1 PHE A 8 -13.545 3.045 -2.089 1.00 0.00 C ATOM 112 CD2 PHE A 8 -14.926 2.298 -3.937 1.00 0.00 C ATOM 113 CE1 PHE A 8 -13.534 4.340 -2.621 1.00 0.00 C ATOM 114 CE2 PHE A 8 -14.915 3.593 -4.469 1.00 0.00 C ATOM 115 CZ PHE A 8 -14.220 4.614 -3.810 1.00 0.00 C ATOM 0 H PHE A 8 -14.628 2.672 -0.750 1.00 0.00 H new ATOM 0 HA PHE A 8 -15.267 -0.178 -0.467 1.00 0.00 H new ATOM 0 HB2 PHE A 8 -13.295 0.150 -2.376 1.00 0.00 H new ATOM 0 HB3 PHE A 8 -15.017 0.039 -2.684 1.00 0.00 H new ATOM 0 HD1 PHE A 8 -13.017 2.834 -1.171 1.00 0.00 H new ATOM 0 HD2 PHE A 8 -15.464 1.511 -4.445 1.00 0.00 H new ATOM 0 HE1 PHE A 8 -12.996 5.128 -2.114 1.00 0.00 H new ATOM 0 HE2 PHE A 8 -15.442 3.804 -5.387 1.00 0.00 H new ATOM 0 HZ PHE A 8 -14.213 5.613 -4.219 1.00 0.00 H new ATOM 125 N SER A 9 -12.683 1.220 0.794 1.00 0.00 N ATOM 126 CA SER A 9 -11.474 1.007 1.564 1.00 0.00 C ATOM 127 C SER A 9 -11.270 -0.482 1.805 1.00 0.00 C ATOM 128 O SER A 9 -10.146 -0.976 1.737 1.00 0.00 O ATOM 129 CB SER A 9 -11.575 1.761 2.887 1.00 0.00 C ATOM 130 OG SER A 9 -10.285 1.933 3.429 1.00 0.00 O ATOM 0 H SER A 9 -13.048 2.172 0.838 1.00 0.00 H new ATOM 0 HA SER A 9 -10.615 1.385 1.010 1.00 0.00 H new ATOM 0 HB2 SER A 9 -12.048 2.731 2.730 1.00 0.00 H new ATOM 0 HB3 SER A 9 -12.204 1.209 3.585 1.00 0.00 H new ATOM 0 HG SER A 9 -10.349 2.418 4.278 1.00 0.00 H new ATOM 136 N ASP A 10 -12.361 -1.197 2.087 1.00 0.00 N ATOM 137 CA ASP A 10 -12.296 -2.624 2.336 1.00 0.00 C ATOM 138 C ASP A 10 -11.291 -3.266 1.391 1.00 0.00 C ATOM 139 O ASP A 10 -10.488 -4.098 1.808 1.00 0.00 O ATOM 140 CB ASP A 10 -13.682 -3.235 2.149 1.00 0.00 C ATOM 141 CG ASP A 10 -14.592 -2.292 1.374 1.00 0.00 C ATOM 142 OD1 ASP A 10 -14.648 -1.107 1.768 1.00 0.00 O ATOM 143 OD2 ASP A 10 -15.214 -2.775 0.403 1.00 0.00 O ATOM 0 H ASP A 10 -13.300 -0.802 2.147 1.00 0.00 H new ATOM 0 HA ASP A 10 -11.969 -2.805 3.360 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -13.597 -4.183 1.618 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -14.122 -3.453 3.122 1.00 0.00 H new ATOM 148 N LEU A 11 -11.335 -2.878 0.114 1.00 0.00 N ATOM 149 CA LEU A 11 -10.431 -3.417 -0.881 1.00 0.00 C ATOM 150 C LEU A 11 -9.011 -2.945 -0.599 1.00 0.00 C ATOM 151 O LEU A 11 -8.414 -3.333 0.403 1.00 0.00 O ATOM 152 CB LEU A 11 -10.881 -2.974 -2.270 1.00 0.00 C ATOM 153 CG LEU A 11 -11.595 -1.629 -2.168 1.00 0.00 C ATOM 154 CD1 LEU A 11 -13.023 -1.847 -1.677 1.00 0.00 C ATOM 155 CD2 LEU A 11 -10.850 -0.731 -1.185 1.00 0.00 C ATOM 0 H LEU A 11 -11.994 -2.188 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 11 -10.446 -4.506 -0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -10.020 -2.892 -2.934 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -11.547 -3.720 -2.703 1.00 0.00 H new ATOM 0 HG LEU A 11 -11.617 -1.154 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -13.533 -0.887 -1.604 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -13.555 -2.488 -2.379 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -13.002 -2.322 -0.696 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -11.360 0.230 -1.112 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -10.827 -1.205 -0.204 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -9.830 -0.575 -1.536 1.00 0.00 H new ATOM 167 N TRP A 12 -8.472 -2.105 -1.485 1.00 0.00 N ATOM 168 CA TRP A 12 -7.128 -1.587 -1.321 1.00 0.00 C ATOM 169 C TRP A 12 -6.342 -2.475 -0.368 1.00 0.00 C ATOM 170 O TRP A 12 -5.153 -2.709 -0.572 1.00 0.00 O ATOM 171 CB TRP A 12 -7.197 -0.156 -0.795 1.00 0.00 C ATOM 172 CG TRP A 12 -8.373 0.634 -1.271 1.00 0.00 C ATOM 173 CD1 TRP A 12 -9.187 1.373 -0.485 1.00 0.00 C ATOM 174 CD2 TRP A 12 -8.888 0.783 -2.629 1.00 0.00 C ATOM 175 NE1 TRP A 12 -10.164 1.964 -1.259 1.00 0.00 N ATOM 176 CE2 TRP A 12 -10.026 1.633 -2.591 1.00 0.00 C ATOM 177 CE3 TRP A 12 -8.510 0.286 -3.890 1.00 0.00 C ATOM 178 CZ2 TRP A 12 -10.750 1.971 -3.738 1.00 0.00 C ATOM 179 CZ3 TRP A 12 -9.228 0.620 -5.046 1.00 0.00 C ATOM 180 CH2 TRP A 12 -10.346 1.460 -4.975 1.00 0.00 C ATOM 0 H TRP A 12 -8.953 -1.774 -2.321 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.617 -1.583 -2.284 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -7.215 -0.185 0.294 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -6.285 0.366 -1.085 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -9.088 1.484 0.585 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -10.897 2.570 -0.892 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -7.651 -0.364 -3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -11.611 2.619 -3.669 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -8.916 0.225 -6.002 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -10.893 1.712 -5.871 1.00 0.00 H new ATOM 191 N LYS A 13 -7.010 -2.972 0.675 1.00 0.00 N ATOM 192 CA LYS A 13 -6.371 -3.831 1.652 1.00 0.00 C ATOM 193 C LYS A 13 -5.650 -4.970 0.947 1.00 0.00 C ATOM 194 O LYS A 13 -4.922 -5.733 1.579 1.00 0.00 O ATOM 195 CB LYS A 13 -7.422 -4.372 2.617 1.00 0.00 C ATOM 196 CG LYS A 13 -6.773 -5.377 3.564 1.00 0.00 C ATOM 197 CD LYS A 13 -7.430 -5.280 4.938 1.00 0.00 C ATOM 198 CE LYS A 13 -6.565 -4.420 5.856 1.00 0.00 C ATOM 199 NZ LYS A 13 -7.247 -4.162 7.133 1.00 0.00 N ATOM 0 HA LYS A 13 -5.636 -3.259 2.218 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -7.865 -3.554 3.185 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -8.230 -4.848 2.062 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -6.880 -6.387 3.168 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -5.704 -5.178 3.645 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -8.426 -4.846 4.847 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -7.554 -6.275 5.365 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -5.615 -4.922 6.042 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -6.335 -3.474 5.365 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -6.639 -3.576 7.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -8.142 -3.663 6.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -7.444 -5.065 7.610 1.00 0.00 H new ATOM 213 N LEU A 14 -5.854 -5.084 -0.368 1.00 0.00 N ATOM 214 CA LEU A 14 -5.223 -6.128 -1.152 1.00 0.00 C ATOM 215 C LEU A 14 -3.824 -5.691 -1.563 1.00 0.00 C ATOM 216 O LEU A 14 -2.878 -6.471 -1.477 1.00 0.00 O ATOM 217 CB LEU A 14 -6.078 -6.427 -2.380 1.00 0.00 C ATOM 218 CG LEU A 14 -6.697 -5.131 -2.897 1.00 0.00 C ATOM 219 CD1 LEU A 14 -7.740 -4.632 -1.901 1.00 0.00 C ATOM 220 CD2 LEU A 14 -5.605 -4.078 -3.063 1.00 0.00 C ATOM 0 H LEU A 14 -6.455 -4.460 -0.906 1.00 0.00 H new ATOM 0 HA LEU A 14 -5.138 -7.036 -0.554 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -5.468 -6.887 -3.158 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -6.862 -7.141 -2.126 1.00 0.00 H new ATOM 0 HG LEU A 14 -7.174 -5.314 -3.860 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -8.182 -3.707 -2.270 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -8.520 -5.385 -1.783 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -7.264 -4.448 -0.938 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.046 -3.152 -3.432 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -5.127 -3.894 -2.101 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -4.861 -4.435 -3.775 1.00 0.00 H new ATOM 232 N LEU A 15 -3.695 -4.440 -2.011 1.00 0.00 N ATOM 233 CA LEU A 15 -2.415 -3.907 -2.432 1.00 0.00 C ATOM 234 C LEU A 15 -1.450 -3.890 -1.255 1.00 0.00 C ATOM 235 O LEU A 15 -0.238 -3.813 -1.444 1.00 0.00 O ATOM 236 CB LEU A 15 -2.609 -2.500 -2.990 1.00 0.00 C ATOM 237 CG LEU A 15 -2.744 -2.571 -4.509 1.00 0.00 C ATOM 238 CD1 LEU A 15 -1.382 -2.328 -5.152 1.00 0.00 C ATOM 239 CD2 LEU A 15 -3.258 -3.950 -4.910 1.00 0.00 C ATOM 0 H LEU A 15 -4.470 -3.782 -2.088 1.00 0.00 H new ATOM 0 HA LEU A 15 -1.994 -4.540 -3.213 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -3.499 -2.044 -2.556 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -1.763 -1.869 -2.718 1.00 0.00 H new ATOM 0 HG LEU A 15 -3.447 -1.810 -4.848 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -1.477 -2.379 -6.237 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -1.015 -1.342 -4.866 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -0.679 -3.089 -4.814 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.355 -4.001 -5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -2.556 -4.712 -4.572 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -4.231 -4.123 -4.451 1.00 0.00 H new ATOM 251 N LYS A 16 -1.990 -3.963 -0.036 1.00 0.00 N ATOM 252 CA LYS A 16 -1.175 -3.956 1.162 1.00 0.00 C ATOM 253 C LYS A 16 -0.039 -4.960 1.021 1.00 0.00 C ATOM 254 O LYS A 16 1.129 -4.580 1.005 1.00 0.00 O ATOM 255 CB LYS A 16 -2.045 -4.291 2.370 1.00 0.00 C ATOM 256 CG LYS A 16 -1.217 -5.058 3.396 1.00 0.00 C ATOM 257 CD LYS A 16 -1.307 -6.554 3.109 1.00 0.00 C ATOM 258 CE LYS A 16 -2.738 -6.912 2.720 1.00 0.00 C ATOM 259 NZ LYS A 16 -3.051 -8.304 3.080 1.00 0.00 N ATOM 0 H LYS A 16 -2.993 -4.028 0.138 1.00 0.00 H new ATOM 0 HA LYS A 16 -0.742 -2.966 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.437 -3.376 2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.903 -4.888 2.060 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -0.178 -4.732 3.357 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -1.580 -4.848 4.402 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -0.622 -6.823 2.305 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -1.005 -7.123 3.988 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -3.434 -6.238 3.220 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -2.873 -6.771 1.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -4.030 -8.522 2.805 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -2.401 -8.946 2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -2.944 -8.429 4.107 1.00 0.00 H new ATOM 273 N LYS A 17 -0.386 -6.245 0.919 1.00 0.00 N ATOM 274 CA LYS A 17 0.605 -7.294 0.781 1.00 0.00 C ATOM 275 C LYS A 17 1.622 -6.909 -0.285 1.00 0.00 C ATOM 276 O LYS A 17 2.759 -7.373 -0.258 1.00 0.00 O ATOM 277 CB LYS A 17 -0.089 -8.603 0.417 1.00 0.00 C ATOM 278 CG LYS A 17 0.939 -9.586 -0.137 1.00 0.00 C ATOM 279 CD LYS A 17 1.530 -10.404 1.007 1.00 0.00 C ATOM 280 CE LYS A 17 2.464 -11.470 0.440 1.00 0.00 C ATOM 281 NZ LYS A 17 2.846 -12.441 1.477 1.00 0.00 N ATOM 0 H LYS A 17 -1.351 -6.576 0.930 1.00 0.00 H new ATOM 0 HA LYS A 17 1.132 -7.427 1.726 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -0.576 -9.026 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -0.869 -8.420 -0.322 1.00 0.00 H new ATOM 0 HG2 LYS A 17 0.470 -10.247 -0.866 1.00 0.00 H new ATOM 0 HG3 LYS A 17 1.730 -9.046 -0.658 1.00 0.00 H new ATOM 0 HD2 LYS A 17 2.076 -9.753 1.690 1.00 0.00 H new ATOM 0 HD3 LYS A 17 0.732 -10.873 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 17 1.973 -11.987 -0.385 1.00 0.00 H new ATOM 0 HE3 LYS A 17 3.358 -10.997 0.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.481 -13.155 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 3.334 -11.948 2.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 1.993 -12.907 1.847 1.00 0.00 H new ATOM 295 N TRP A 18 1.209 -6.056 -1.226 1.00 0.00 N ATOM 296 CA TRP A 18 2.087 -5.615 -2.291 1.00 0.00 C ATOM 297 C TRP A 18 2.368 -4.126 -2.148 1.00 0.00 C ATOM 298 O TRP A 18 3.264 -3.596 -2.800 1.00 0.00 O ATOM 299 CB TRP A 18 1.440 -5.917 -3.640 1.00 0.00 C ATOM 300 CG TRP A 18 -0.035 -6.154 -3.592 1.00 0.00 C ATOM 301 CD1 TRP A 18 -0.974 -5.333 -4.110 1.00 0.00 C ATOM 302 CD2 TRP A 18 -0.765 -7.272 -3.001 1.00 0.00 C ATOM 303 NE1 TRP A 18 -2.227 -5.862 -3.882 1.00 0.00 N ATOM 304 CE2 TRP A 18 -2.156 -7.060 -3.200 1.00 0.00 C ATOM 305 CE3 TRP A 18 -0.395 -8.443 -2.316 1.00 0.00 C ATOM 306 CZ2 TRP A 18 -3.126 -7.958 -2.747 1.00 0.00 C ATOM 307 CZ3 TRP A 18 -1.360 -9.351 -1.857 1.00 0.00 C ATOM 308 CH2 TRP A 18 -2.723 -9.113 -2.070 1.00 0.00 C ATOM 0 H TRP A 18 0.269 -5.662 -1.264 1.00 0.00 H new ATOM 0 HA TRP A 18 3.035 -6.149 -2.229 1.00 0.00 H new ATOM 0 HB2 TRP A 18 1.638 -5.085 -4.316 1.00 0.00 H new ATOM 0 HB3 TRP A 18 1.921 -6.796 -4.068 1.00 0.00 H new ATOM 0 HD1 TRP A 18 -0.774 -4.404 -4.624 1.00 0.00 H new ATOM 0 HE1 TRP A 18 -3.098 -5.423 -4.180 1.00 0.00 H new ATOM 0 HE3 TRP A 18 0.651 -8.647 -2.140 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -4.174 -7.762 -2.918 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 -1.049 -10.243 -1.334 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -3.459 -9.818 -1.713 1.00 0.00 H new ATOM 319 N LYS A 19 1.597 -3.452 -1.292 1.00 0.00 N ATOM 320 CA LYS A 19 1.767 -2.030 -1.069 1.00 0.00 C ATOM 321 C LYS A 19 2.539 -1.796 0.221 1.00 0.00 C ATOM 322 O LYS A 19 2.791 -0.654 0.599 1.00 0.00 O ATOM 323 CB LYS A 19 0.398 -1.358 -1.009 1.00 0.00 C ATOM 324 CG LYS A 19 0.568 0.153 -1.127 1.00 0.00 C ATOM 325 CD LYS A 19 -0.326 0.848 -0.104 1.00 0.00 C ATOM 326 CE LYS A 19 0.015 2.335 -0.057 1.00 0.00 C ATOM 327 NZ LYS A 19 -0.510 3.034 -1.240 1.00 0.00 N ATOM 0 H LYS A 19 0.849 -3.877 -0.744 1.00 0.00 H new ATOM 0 HA LYS A 19 2.336 -1.596 -1.891 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -0.236 -1.727 -1.815 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -0.100 -1.607 -0.072 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.610 0.426 -0.960 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.310 0.481 -2.134 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -1.374 0.713 -0.370 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -0.186 0.401 0.880 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -0.402 2.779 0.847 1.00 0.00 H new ATOM 0 HE3 LYS A 19 1.096 2.462 -0.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.265 4.043 -1.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.093 2.623 -2.100 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -1.544 2.930 -1.274 1.00 0.00 H new ATOM 341 N MET A 20 2.916 -2.883 0.899 1.00 0.00 N ATOM 342 CA MET A 20 3.655 -2.789 2.142 1.00 0.00 C ATOM 343 C MET A 20 5.038 -2.210 1.880 1.00 0.00 C ATOM 344 O MET A 20 5.495 -2.179 0.739 1.00 0.00 O ATOM 345 CB MET A 20 3.760 -4.173 2.776 1.00 0.00 C ATOM 346 CG MET A 20 3.674 -4.045 4.294 1.00 0.00 C ATOM 347 SD MET A 20 2.002 -4.253 4.955 1.00 0.00 S ATOM 348 CE MET A 20 1.437 -2.536 4.858 1.00 0.00 C ATOM 0 H MET A 20 2.717 -3.837 0.600 1.00 0.00 H new ATOM 0 HA MET A 20 3.131 -2.126 2.831 1.00 0.00 H new ATOM 0 HB2 MET A 20 2.959 -4.815 2.409 1.00 0.00 H new ATOM 0 HB3 MET A 20 4.701 -4.644 2.493 1.00 0.00 H new ATOM 0 HG2 MET A 20 4.329 -4.788 4.749 1.00 0.00 H new ATOM 0 HG3 MET A 20 4.051 -3.065 4.588 1.00 0.00 H new ATOM 0 HE1 MET A 20 0.613 -2.384 5.555 1.00 0.00 H new ATOM 0 HE2 MET A 20 2.258 -1.868 5.116 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.099 -2.321 3.844 1.00 0.00 H new ATOM 358 N ARG A 21 5.704 -1.751 2.941 1.00 0.00 N ATOM 359 CA ARG A 21 7.029 -1.176 2.823 1.00 0.00 C ATOM 360 C ARG A 21 6.969 0.086 1.975 1.00 0.00 C ATOM 361 O ARG A 21 8.003 0.642 1.611 1.00 0.00 O ATOM 362 CB ARG A 21 7.973 -2.201 2.201 1.00 0.00 C ATOM 363 CG ARG A 21 9.367 -2.037 2.800 1.00 0.00 C ATOM 364 CD ARG A 21 10.256 -3.191 2.344 1.00 0.00 C ATOM 365 NE ARG A 21 10.304 -3.272 0.885 1.00 0.00 N ATOM 366 CZ ARG A 21 10.609 -4.401 0.230 1.00 0.00 C ATOM 367 NH1 ARG A 21 10.884 -5.519 0.914 1.00 0.00 N ATOM 368 NH2 ARG A 21 10.639 -4.411 -1.110 1.00 0.00 N ATOM 0 H ARG A 21 5.338 -1.770 3.893 1.00 0.00 H new ATOM 0 HA ARG A 21 7.404 -0.909 3.811 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.603 -3.210 2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 21 8.012 -2.067 1.120 1.00 0.00 H new ATOM 0 HG2 ARG A 21 9.799 -1.086 2.488 1.00 0.00 H new ATOM 0 HG3 ARG A 21 9.307 -2.018 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 21 11.263 -3.056 2.737 1.00 0.00 H new ATOM 0 HD3 ARG A 21 9.878 -4.129 2.751 1.00 0.00 H new ATOM 0 HE ARG A 21 10.097 -2.434 0.342 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.861 -5.512 1.934 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.116 -6.378 0.415 1.00 0.00 H new ATOM 0 HH21 ARG A 21 10.430 -3.560 -1.631 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.871 -5.270 -1.609 1.00 0.00 H new ATOM 382 N ARG A 22 5.753 0.539 1.660 1.00 0.00 N ATOM 383 CA ARG A 22 5.564 1.730 0.858 1.00 0.00 C ATOM 384 C ARG A 22 5.351 2.934 1.764 1.00 0.00 C ATOM 385 O ARG A 22 4.273 3.525 1.772 1.00 0.00 O ATOM 386 CB ARG A 22 4.368 1.534 -0.070 1.00 0.00 C ATOM 387 CG ARG A 22 4.649 0.375 -1.022 1.00 0.00 C ATOM 388 CD ARG A 22 5.258 0.914 -2.313 1.00 0.00 C ATOM 389 NE ARG A 22 6.713 1.026 -2.201 1.00 0.00 N ATOM 390 CZ ARG A 22 7.443 1.821 -2.995 1.00 0.00 C ATOM 391 NH1 ARG A 22 6.843 2.556 -3.942 1.00 0.00 N ATOM 392 NH2 ARG A 22 8.773 1.880 -2.844 1.00 0.00 N ATOM 0 H ARG A 22 4.886 0.090 1.954 1.00 0.00 H new ATOM 0 HA ARG A 22 6.452 1.909 0.252 1.00 0.00 H new ATOM 0 HB2 ARG A 22 3.470 1.330 0.514 1.00 0.00 H new ATOM 0 HB3 ARG A 22 4.180 2.446 -0.636 1.00 0.00 H new ATOM 0 HG2 ARG A 22 5.330 -0.336 -0.555 1.00 0.00 H new ATOM 0 HG3 ARG A 22 3.726 -0.163 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 22 5.003 0.254 -3.142 1.00 0.00 H new ATOM 0 HD3 ARG A 22 4.831 1.891 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 22 7.192 0.475 -1.488 1.00 0.00 H new ATOM 0 HH11 ARG A 22 5.831 2.510 -4.058 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.399 3.161 -4.546 1.00 0.00 H new ATOM 0 HH21 ARG A 22 9.230 1.320 -2.125 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.329 2.485 -3.449 1.00 0.00 H new ATOM 406 N ASN A 23 6.383 3.298 2.530 1.00 0.00 N ATOM 407 CA ASN A 23 6.301 4.428 3.433 1.00 0.00 C ATOM 408 C ASN A 23 6.915 5.659 2.780 1.00 0.00 C ATOM 409 O ASN A 23 6.246 6.367 2.031 1.00 0.00 O ATOM 410 CB ASN A 23 7.023 4.090 4.734 1.00 0.00 C ATOM 411 CG ASN A 23 7.272 5.345 5.559 1.00 0.00 C ATOM 412 OD1 ASN A 23 8.416 5.760 5.730 1.00 0.00 O ATOM 413 ND2 ASN A 23 6.197 5.950 6.068 1.00 0.00 N ATOM 0 H ASN A 23 7.284 2.819 2.536 1.00 0.00 H new ATOM 0 HA ASN A 23 5.256 4.644 3.656 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.428 3.382 5.312 1.00 0.00 H new ATOM 0 HB3 ASN A 23 7.972 3.602 4.512 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.305 6.796 6.627 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.267 5.566 5.898 1.00 0.00 H new ATOM 420 N GLN A 24 8.194 5.913 3.067 1.00 0.00 N ATOM 421 CA GLN A 24 8.890 7.055 2.508 1.00 0.00 C ATOM 422 C GLN A 24 10.387 6.781 2.473 1.00 0.00 C ATOM 423 O GLN A 24 10.990 6.757 1.402 1.00 0.00 O ATOM 424 CB GLN A 24 8.587 8.293 3.347 1.00 0.00 C ATOM 425 CG GLN A 24 8.356 9.488 2.427 1.00 0.00 C ATOM 426 CD GLN A 24 9.186 10.683 2.870 1.00 0.00 C ATOM 427 OE1 GLN A 24 10.413 10.651 2.799 1.00 0.00 O ATOM 428 NE2 GLN A 24 8.514 11.741 3.331 1.00 0.00 N ATOM 0 H GLN A 24 8.763 5.336 3.686 1.00 0.00 H new ATOM 0 HA GLN A 24 8.549 7.230 1.488 1.00 0.00 H new ATOM 0 HB2 GLN A 24 7.705 8.120 3.964 1.00 0.00 H new ATOM 0 HB3 GLN A 24 9.416 8.497 4.025 1.00 0.00 H new ATOM 0 HG2 GLN A 24 8.616 9.219 1.403 1.00 0.00 H new ATOM 0 HG3 GLN A 24 7.299 9.754 2.428 1.00 0.00 H new ATOM 0 HE21 GLN A 24 7.495 11.720 3.371 1.00 0.00 H new ATOM 0 HE22 GLN A 24 9.020 12.570 3.643 1.00 0.00 H new ATOM 437 N PHE A 25 10.986 6.572 3.647 1.00 0.00 N ATOM 438 CA PHE A 25 12.406 6.301 3.742 1.00 0.00 C ATOM 439 C PHE A 25 12.670 4.827 3.466 1.00 0.00 C ATOM 440 O PHE A 25 13.724 4.470 2.944 1.00 0.00 O ATOM 441 CB PHE A 25 12.905 6.689 5.131 1.00 0.00 C ATOM 442 CG PHE A 25 14.230 6.061 5.493 1.00 0.00 C ATOM 443 CD1 PHE A 25 14.344 4.668 5.575 1.00 0.00 C ATOM 444 CD2 PHE A 25 15.343 6.870 5.749 1.00 0.00 C ATOM 445 CE1 PHE A 25 15.571 4.084 5.913 1.00 0.00 C ATOM 446 CE2 PHE A 25 16.570 6.287 6.087 1.00 0.00 C ATOM 447 CZ PHE A 25 16.684 4.894 6.169 1.00 0.00 C ATOM 0 H PHE A 25 10.500 6.587 4.544 1.00 0.00 H new ATOM 0 HA PHE A 25 12.943 6.891 2.999 1.00 0.00 H new ATOM 0 HB2 PHE A 25 12.999 7.774 5.184 1.00 0.00 H new ATOM 0 HB3 PHE A 25 12.160 6.397 5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 25 13.485 4.044 5.377 1.00 0.00 H new ATOM 0 HD2 PHE A 25 15.255 7.945 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 25 15.659 3.009 5.976 1.00 0.00 H new ATOM 0 HE2 PHE A 25 17.429 6.912 6.284 1.00 0.00 H new ATOM 0 HZ PHE A 25 17.631 4.444 6.430 1.00 0.00 H new ATOM 457 N TRP A 26 11.709 3.970 3.818 1.00 0.00 N ATOM 458 CA TRP A 26 11.845 2.543 3.603 1.00 0.00 C ATOM 459 C TRP A 26 10.933 2.100 2.468 1.00 0.00 C ATOM 460 O TRP A 26 10.153 1.163 2.625 1.00 0.00 O ATOM 461 CB TRP A 26 11.504 1.801 4.892 1.00 0.00 C ATOM 462 CG TRP A 26 10.222 2.217 5.538 1.00 0.00 C ATOM 463 CD1 TRP A 26 9.036 1.585 5.397 1.00 0.00 C ATOM 464 CD2 TRP A 26 9.967 3.348 6.425 1.00 0.00 C ATOM 465 NE1 TRP A 26 8.072 2.242 6.131 1.00 0.00 N ATOM 466 CE2 TRP A 26 8.593 3.340 6.786 1.00 0.00 C ATOM 467 CE3 TRP A 26 10.756 4.381 6.961 1.00 0.00 C ATOM 468 CZ2 TRP A 26 8.032 4.301 7.632 1.00 0.00 C ATOM 469 CZ3 TRP A 26 10.204 5.351 7.811 1.00 0.00 C ATOM 470 CH2 TRP A 26 8.845 5.314 8.147 1.00 0.00 C ATOM 0 H TRP A 26 10.830 4.248 4.253 1.00 0.00 H new ATOM 0 HA TRP A 26 12.873 2.311 3.326 1.00 0.00 H new ATOM 0 HB2 TRP A 26 11.456 0.733 4.678 1.00 0.00 H new ATOM 0 HB3 TRP A 26 12.317 1.947 5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 26 8.869 0.700 4.800 1.00 0.00 H new ATOM 0 HE1 TRP A 26 7.095 1.953 6.184 1.00 0.00 H new ATOM 0 HE3 TRP A 26 11.806 4.429 6.714 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 6.983 4.261 7.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 10.833 6.133 8.210 1.00 0.00 H new ATOM 0 HH2 TRP A 26 8.427 6.065 8.801 1.00 0.00 H new ATOM 481 N VAL A 27 11.033 2.778 1.322 1.00 0.00 N ATOM 482 CA VAL A 27 10.219 2.452 0.168 1.00 0.00 C ATOM 483 C VAL A 27 11.102 1.922 -0.952 1.00 0.00 C ATOM 484 O VAL A 27 11.616 2.693 -1.758 1.00 0.00 O ATOM 485 CB VAL A 27 9.460 3.696 -0.285 1.00 0.00 C ATOM 486 CG1 VAL A 27 8.490 4.128 0.811 1.00 0.00 C ATOM 487 CG2 VAL A 27 10.450 4.824 -0.561 1.00 0.00 C ATOM 0 H VAL A 27 11.675 3.557 1.177 1.00 0.00 H new ATOM 0 HA VAL A 27 9.498 1.678 0.433 1.00 0.00 H new ATOM 0 HB VAL A 27 8.903 3.470 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 27 7.948 5.017 0.488 1.00 0.00 H new ATOM 0 HG12 VAL A 27 7.782 3.323 1.009 1.00 0.00 H new ATOM 0 HG13 VAL A 27 9.046 4.354 1.721 1.00 0.00 H new ATOM 0 HG21 VAL A 27 9.908 5.713 -0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.007 5.050 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.143 4.516 -1.344 1.00 0.00 H new ATOM 497 N LYS A 28 11.278 0.599 -1.000 1.00 0.00 N ATOM 498 CA LYS A 28 12.097 -0.025 -2.020 1.00 0.00 C ATOM 499 C LYS A 28 13.539 -0.117 -1.541 1.00 0.00 C ATOM 500 O LYS A 28 14.454 0.327 -2.232 1.00 0.00 O ATOM 501 CB LYS A 28 12.006 0.785 -3.310 1.00 0.00 C ATOM 502 CG LYS A 28 11.980 -0.164 -4.505 1.00 0.00 C ATOM 503 CD LYS A 28 11.780 0.638 -5.788 1.00 0.00 C ATOM 504 CE LYS A 28 11.612 -0.319 -6.965 1.00 0.00 C ATOM 505 NZ LYS A 28 12.410 0.120 -8.120 1.00 0.00 N ATOM 0 H LYS A 28 10.859 -0.055 -0.338 1.00 0.00 H new ATOM 0 HA LYS A 28 11.735 -1.035 -2.214 1.00 0.00 H new ATOM 0 HB2 LYS A 28 11.107 1.402 -3.302 1.00 0.00 H new ATOM 0 HB3 LYS A 28 12.857 1.462 -3.388 1.00 0.00 H new ATOM 0 HG2 LYS A 28 12.912 -0.726 -4.557 1.00 0.00 H new ATOM 0 HG3 LYS A 28 11.176 -0.890 -4.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 10.902 1.277 -5.697 1.00 0.00 H new ATOM 0 HD3 LYS A 28 12.635 1.293 -5.957 1.00 0.00 H new ATOM 0 HE2 LYS A 28 11.917 -1.323 -6.668 1.00 0.00 H new ATOM 0 HE3 LYS A 28 10.560 -0.375 -7.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 12.278 -0.547 -8.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 12.101 1.068 -8.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 13.415 0.150 -7.856 1.00 0.00 H new ATOM 519 N VAL A 29 13.740 -0.695 -0.355 1.00 0.00 N ATOM 520 CA VAL A 29 15.067 -0.842 0.210 1.00 0.00 C ATOM 521 C VAL A 29 15.656 -2.183 -0.204 1.00 0.00 C ATOM 522 O VAL A 29 16.477 -2.750 0.514 1.00 0.00 O ATOM 523 CB VAL A 29 14.987 -0.732 1.729 1.00 0.00 C ATOM 524 CG1 VAL A 29 16.386 -0.511 2.298 1.00 0.00 C ATOM 525 CG2 VAL A 29 14.093 0.446 2.107 1.00 0.00 C ATOM 0 H VAL A 29 12.992 -1.068 0.229 1.00 0.00 H new ATOM 0 HA VAL A 29 15.717 -0.051 -0.164 1.00 0.00 H new ATOM 0 HB VAL A 29 14.569 -1.652 2.138 1.00 0.00 H new ATOM 0 HG11 VAL A 29 16.329 -0.432 3.384 1.00 0.00 H new ATOM 0 HG12 VAL A 29 17.025 -1.351 2.028 1.00 0.00 H new ATOM 0 HG13 VAL A 29 16.804 0.409 1.889 1.00 0.00 H new ATOM 0 HG21 VAL A 29 14.035 0.525 3.193 1.00 0.00 H new ATOM 0 HG22 VAL A 29 14.511 1.366 1.698 1.00 0.00 H new ATOM 0 HG23 VAL A 29 13.094 0.289 1.701 1.00 0.00 H new ATOM 535 N GLN A 30 15.236 -2.690 -1.365 1.00 0.00 N ATOM 536 CA GLN A 30 15.723 -3.959 -1.866 1.00 0.00 C ATOM 537 C GLN A 30 15.882 -4.942 -0.714 1.00 0.00 C ATOM 538 O GLN A 30 16.953 -5.034 -0.118 1.00 0.00 O ATOM 539 CB GLN A 30 17.053 -3.745 -2.582 1.00 0.00 C ATOM 540 CG GLN A 30 16.825 -2.918 -3.844 1.00 0.00 C ATOM 541 CD GLN A 30 17.388 -3.627 -5.067 1.00 0.00 C ATOM 542 OE1 GLN A 30 16.836 -4.630 -5.514 1.00 0.00 O ATOM 543 NE2 GLN A 30 18.492 -3.104 -5.607 1.00 0.00 N ATOM 0 H GLN A 30 14.556 -2.232 -1.972 1.00 0.00 H new ATOM 0 HA GLN A 30 15.006 -4.374 -2.575 1.00 0.00 H new ATOM 0 HB2 GLN A 30 17.755 -3.235 -1.922 1.00 0.00 H new ATOM 0 HB3 GLN A 30 17.498 -4.706 -2.840 1.00 0.00 H new ATOM 0 HG2 GLN A 30 15.758 -2.742 -3.980 1.00 0.00 H new ATOM 0 HG3 GLN A 30 17.298 -1.942 -3.735 1.00 0.00 H new ATOM 0 HE21 GLN A 30 18.913 -2.269 -5.199 1.00 0.00 H new ATOM 0 HE22 GLN A 30 18.914 -3.539 -6.427 1.00 0.00 H new ATOM 552 N ARG A 31 14.813 -5.678 -0.403 1.00 0.00 N ATOM 553 CA ARG A 31 14.838 -6.648 0.673 1.00 0.00 C ATOM 554 C ARG A 31 14.169 -7.938 0.221 1.00 0.00 C ATOM 555 O ARG A 31 12.947 -8.058 0.276 1.00 0.00 O ATOM 556 CB ARG A 31 14.128 -6.070 1.894 1.00 0.00 C ATOM 557 CG ARG A 31 14.903 -6.441 3.155 1.00 0.00 C ATOM 558 CD ARG A 31 14.300 -7.700 3.771 1.00 0.00 C ATOM 559 NE ARG A 31 15.296 -8.431 4.554 1.00 0.00 N ATOM 560 CZ ARG A 31 15.189 -9.738 4.827 1.00 0.00 C ATOM 561 NH1 ARG A 31 14.136 -10.433 4.375 1.00 0.00 N ATOM 562 NH2 ARG A 31 16.134 -10.352 5.552 1.00 0.00 N ATOM 0 H ARG A 31 13.919 -5.614 -0.889 1.00 0.00 H new ATOM 0 HA ARG A 31 15.870 -6.873 0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 31 14.053 -4.986 1.806 1.00 0.00 H new ATOM 0 HB3 ARG A 31 13.110 -6.456 1.953 1.00 0.00 H new ATOM 0 HG2 ARG A 31 15.953 -6.608 2.914 1.00 0.00 H new ATOM 0 HG3 ARG A 31 14.868 -5.620 3.871 1.00 0.00 H new ATOM 0 HD2 ARG A 31 13.458 -7.430 4.409 1.00 0.00 H new ATOM 0 HD3 ARG A 31 13.909 -8.343 2.983 1.00 0.00 H new ATOM 0 HE ARG A 31 16.107 -7.924 4.907 1.00 0.00 H new ATOM 0 HH11 ARG A 31 13.416 -9.967 3.823 1.00 0.00 H new ATOM 0 HH12 ARG A 31 14.055 -11.428 4.583 1.00 0.00 H new ATOM 0 HH21 ARG A 31 16.936 -9.824 5.897 1.00 0.00 H new ATOM 0 HH22 ARG A 31 16.051 -11.347 5.759 1.00 0.00 H new ATOM 576 N GLY A 32 14.972 -8.905 -0.229 1.00 0.00 N ATOM 577 CA GLY A 32 14.449 -10.177 -0.686 1.00 0.00 C ATOM 578 C GLY A 32 14.200 -11.101 0.498 1.00 0.00 C ATOM 579 O GLY A 32 15.116 -11.392 1.265 1.00 0.00 O ATOM 0 H GLY A 32 15.987 -8.823 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 32 13.521 -10.020 -1.235 1.00 0.00 H new ATOM 0 HA3 GLY A 32 15.153 -10.641 -1.376 1.00 0.00 H new TER 583 GLY A 32