USER MOD reduce.3.24.130724 H: found=0, std=0, add=276, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 276 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ 143:sc= 0.00739 (180deg=0) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -1.28 K(o=-1.3,f=-4.5!) USER MOD Single : A 12 ASN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -177:sc= -1.25 (180deg=-1.32) USER MOD Single : A 22 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0728) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -1.56 K(o=-1.6,f=-7.6!) USER MOD Single : A 33 SER OG : rot 180:sc= -0.241 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.368 11.030 2.218 1.00 0.00 N ATOM 2 CA GLY A 1 -6.700 9.702 2.303 1.00 0.00 C ATOM 3 C GLY A 1 -7.574 8.653 2.963 1.00 0.00 C ATOM 4 O GLY A 1 -8.336 8.960 3.880 1.00 0.00 O ATOM 0 H1 GLY A 1 -6.667 11.782 2.374 1.00 0.00 H new ATOM 0 H2 GLY A 1 -7.794 11.145 1.276 1.00 0.00 H new ATOM 0 H3 GLY A 1 -8.110 11.092 2.944 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -6.432 9.369 1.300 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.771 9.802 2.864 1.00 0.00 H new ATOM 10 N CYS A 2 -7.465 7.415 2.495 1.00 0.00 N ATOM 11 CA CYS A 2 -8.251 6.315 3.048 1.00 0.00 C ATOM 12 C CYS A 2 -7.362 5.348 3.825 1.00 0.00 C ATOM 13 O CYS A 2 -7.660 5.002 4.968 1.00 0.00 O ATOM 14 CB CYS A 2 -9.008 5.563 1.940 1.00 0.00 C ATOM 15 SG CYS A 2 -8.753 6.214 0.253 1.00 0.00 S ATOM 0 H CYS A 2 -6.841 7.146 1.734 1.00 0.00 H new ATOM 0 HA CYS A 2 -8.982 6.744 3.734 1.00 0.00 H new ATOM 0 HB2 CYS A 2 -8.704 4.516 1.959 1.00 0.00 H new ATOM 0 HB3 CYS A 2 -10.074 5.590 2.166 1.00 0.00 H new ATOM 20 N LEU A 3 -6.268 4.920 3.202 1.00 0.00 N ATOM 21 CA LEU A 3 -5.338 3.999 3.844 1.00 0.00 C ATOM 22 C LEU A 3 -3.904 4.374 3.542 1.00 0.00 C ATOM 23 O LEU A 3 -3.522 4.552 2.386 1.00 0.00 O ATOM 24 CB LEU A 3 -5.614 2.559 3.405 1.00 0.00 C ATOM 25 CG LEU A 3 -6.754 1.860 4.155 1.00 0.00 C ATOM 26 CD1 LEU A 3 -7.941 1.632 3.232 1.00 0.00 C ATOM 27 CD2 LEU A 3 -6.276 0.540 4.745 1.00 0.00 C ATOM 0 H LEU A 3 -6.005 5.196 2.256 1.00 0.00 H new ATOM 0 HA LEU A 3 -5.489 4.070 4.921 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -5.846 2.558 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -4.703 1.975 3.534 1.00 0.00 H new ATOM 0 HG LEU A 3 -7.073 2.507 4.972 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -8.740 1.135 3.782 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -8.300 2.591 2.858 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -7.635 1.007 2.393 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -7.099 0.058 5.273 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -5.928 -0.112 3.944 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -5.458 0.727 5.441 1.00 0.00 H new ATOM 39 N GLU A 4 -3.117 4.508 4.600 1.00 0.00 N ATOM 40 CA GLU A 4 -1.728 4.878 4.454 1.00 0.00 C ATOM 41 C GLU A 4 -0.850 3.657 4.197 1.00 0.00 C ATOM 42 O GLU A 4 -1.330 2.522 4.182 1.00 0.00 O ATOM 43 CB GLU A 4 -1.239 5.629 5.695 1.00 0.00 C ATOM 44 CG GLU A 4 -0.401 6.855 5.370 1.00 0.00 C ATOM 45 CD GLU A 4 -0.230 7.777 6.562 1.00 0.00 C ATOM 46 OE1 GLU A 4 -1.067 7.711 7.488 1.00 0.00 O ATOM 47 OE2 GLU A 4 0.741 8.562 6.572 1.00 0.00 O ATOM 0 H GLU A 4 -3.421 4.365 5.563 1.00 0.00 H new ATOM 0 HA GLU A 4 -1.651 5.537 3.589 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -2.101 5.935 6.288 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -0.651 4.950 6.313 1.00 0.00 H new ATOM 0 HG2 GLU A 4 0.580 6.537 5.018 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -0.870 7.405 4.554 1.00 0.00 H new ATOM 54 N PHE A 5 0.442 3.900 3.996 1.00 0.00 N ATOM 55 CA PHE A 5 1.399 2.828 3.736 1.00 0.00 C ATOM 56 C PHE A 5 1.253 1.693 4.749 1.00 0.00 C ATOM 57 O PHE A 5 0.508 1.807 5.722 1.00 0.00 O ATOM 58 CB PHE A 5 2.830 3.383 3.759 1.00 0.00 C ATOM 59 CG PHE A 5 3.535 3.223 5.079 1.00 0.00 C ATOM 60 CD1 PHE A 5 3.219 4.039 6.153 1.00 0.00 C ATOM 61 CD2 PHE A 5 4.511 2.254 5.241 1.00 0.00 C ATOM 62 CE1 PHE A 5 3.864 3.891 7.366 1.00 0.00 C ATOM 63 CE2 PHE A 5 5.160 2.101 6.451 1.00 0.00 C ATOM 64 CZ PHE A 5 4.837 2.921 7.516 1.00 0.00 C ATOM 0 H PHE A 5 0.852 4.834 4.008 1.00 0.00 H new ATOM 0 HA PHE A 5 1.189 2.420 2.747 1.00 0.00 H new ATOM 0 HB2 PHE A 5 3.414 2.883 2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 5 2.801 4.442 3.502 1.00 0.00 H new ATOM 0 HD1 PHE A 5 2.460 4.799 6.041 1.00 0.00 H new ATOM 0 HD2 PHE A 5 4.768 1.611 4.412 1.00 0.00 H new ATOM 0 HE1 PHE A 5 3.608 4.533 8.196 1.00 0.00 H new ATOM 0 HE2 PHE A 5 5.919 1.341 6.565 1.00 0.00 H new ATOM 0 HZ PHE A 5 5.344 2.804 8.463 1.00 0.00 H new ATOM 74 N TRP A 6 1.979 0.604 4.511 1.00 0.00 N ATOM 75 CA TRP A 6 1.950 -0.558 5.394 1.00 0.00 C ATOM 76 C TRP A 6 0.597 -1.263 5.352 1.00 0.00 C ATOM 77 O TRP A 6 0.514 -2.426 4.965 1.00 0.00 O ATOM 78 CB TRP A 6 2.284 -0.149 6.831 1.00 0.00 C ATOM 79 CG TRP A 6 2.363 -1.310 7.775 1.00 0.00 C ATOM 80 CD1 TRP A 6 1.352 -2.166 8.108 1.00 0.00 C ATOM 81 CD2 TRP A 6 3.514 -1.742 8.508 1.00 0.00 C ATOM 82 NE1 TRP A 6 1.805 -3.103 9.004 1.00 0.00 N ATOM 83 CE2 TRP A 6 3.130 -2.865 9.266 1.00 0.00 C ATOM 84 CE3 TRP A 6 4.834 -1.289 8.599 1.00 0.00 C ATOM 85 CZ2 TRP A 6 4.017 -3.540 10.101 1.00 0.00 C ATOM 86 CZ3 TRP A 6 5.713 -1.960 9.428 1.00 0.00 C ATOM 87 CH2 TRP A 6 5.301 -3.075 10.169 1.00 0.00 C ATOM 0 H TRP A 6 2.599 0.502 3.708 1.00 0.00 H new ATOM 0 HA TRP A 6 2.705 -1.258 5.037 1.00 0.00 H new ATOM 0 HB2 TRP A 6 3.236 0.382 6.838 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.527 0.549 7.188 1.00 0.00 H new ATOM 0 HD1 TRP A 6 0.344 -2.114 7.723 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.246 -3.854 9.409 1.00 0.00 H new ATOM 0 HE3 TRP A 6 5.161 -0.430 8.032 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 3.702 -4.400 10.674 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 6.735 -1.619 9.506 1.00 0.00 H new ATOM 0 HH2 TRP A 6 6.012 -3.578 10.807 1.00 0.00 H new ATOM 98 N TRP A 7 -0.461 -0.560 5.755 1.00 0.00 N ATOM 99 CA TRP A 7 -1.809 -1.131 5.768 1.00 0.00 C ATOM 100 C TRP A 7 -2.053 -2.021 4.549 1.00 0.00 C ATOM 101 O TRP A 7 -2.127 -1.539 3.418 1.00 0.00 O ATOM 102 CB TRP A 7 -2.855 -0.015 5.824 1.00 0.00 C ATOM 103 CG TRP A 7 -2.844 0.746 7.117 1.00 0.00 C ATOM 104 CD1 TRP A 7 -2.072 0.490 8.215 1.00 0.00 C ATOM 105 CD2 TRP A 7 -3.642 1.887 7.447 1.00 0.00 C ATOM 106 NE1 TRP A 7 -2.342 1.402 9.206 1.00 0.00 N ATOM 107 CE2 TRP A 7 -3.303 2.270 8.759 1.00 0.00 C ATOM 108 CE3 TRP A 7 -4.610 2.623 6.761 1.00 0.00 C ATOM 109 CZ2 TRP A 7 -3.898 3.357 9.394 1.00 0.00 C ATOM 110 CZ3 TRP A 7 -5.200 3.701 7.392 1.00 0.00 C ATOM 111 CH2 TRP A 7 -4.842 4.060 8.697 1.00 0.00 C ATOM 0 H TRP A 7 -0.411 0.407 6.077 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.899 -1.753 6.659 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -2.681 0.678 5.001 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.845 -0.446 5.673 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.354 -0.313 8.292 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.899 1.429 10.125 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.893 2.354 5.754 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.624 3.635 10.401 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.950 4.277 6.870 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -5.321 4.909 9.163 1.00 0.00 H new ATOM 122 N LYS A 8 -2.164 -3.325 4.796 1.00 0.00 N ATOM 123 CA LYS A 8 -2.386 -4.305 3.732 1.00 0.00 C ATOM 124 C LYS A 8 -3.441 -3.827 2.737 1.00 0.00 C ATOM 125 O LYS A 8 -4.437 -3.212 3.118 1.00 0.00 O ATOM 126 CB LYS A 8 -2.802 -5.649 4.332 1.00 0.00 C ATOM 127 CG LYS A 8 -3.031 -6.737 3.294 1.00 0.00 C ATOM 128 CD LYS A 8 -4.162 -7.668 3.704 1.00 0.00 C ATOM 129 CE LYS A 8 -5.506 -6.957 3.672 1.00 0.00 C ATOM 130 NZ LYS A 8 -6.395 -7.402 4.781 1.00 0.00 N ATOM 0 H LYS A 8 -2.103 -3.730 5.730 1.00 0.00 H new ATOM 0 HA LYS A 8 -1.447 -4.425 3.191 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -2.032 -5.980 5.029 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -3.716 -5.512 4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -3.264 -6.281 2.332 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -2.115 -7.312 3.160 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -4.188 -8.528 3.035 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -3.975 -8.050 4.707 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -5.349 -5.881 3.742 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -5.995 -7.147 2.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -7.301 -6.894 4.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -6.565 -8.425 4.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -5.940 -7.198 5.694 1.00 0.00 H new ATOM 144 N CYS A 9 -3.209 -4.115 1.460 1.00 0.00 N ATOM 145 CA CYS A 9 -4.132 -3.717 0.404 1.00 0.00 C ATOM 146 C CYS A 9 -4.305 -4.836 -0.617 1.00 0.00 C ATOM 147 O CYS A 9 -3.733 -5.916 -0.474 1.00 0.00 O ATOM 148 CB CYS A 9 -3.628 -2.452 -0.292 1.00 0.00 C ATOM 149 SG CYS A 9 -1.846 -2.477 -0.682 1.00 0.00 S ATOM 0 H CYS A 9 -2.388 -4.623 1.132 1.00 0.00 H new ATOM 0 HA CYS A 9 -5.100 -3.512 0.861 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -4.189 -2.310 -1.216 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -3.838 -1.592 0.344 1.00 0.00 H new ATOM 154 N ASN A 10 -5.098 -4.569 -1.650 1.00 0.00 N ATOM 155 CA ASN A 10 -5.347 -5.552 -2.698 1.00 0.00 C ATOM 156 C ASN A 10 -5.403 -4.882 -4.068 1.00 0.00 C ATOM 157 O ASN A 10 -5.722 -3.698 -4.178 1.00 0.00 O ATOM 158 CB ASN A 10 -6.656 -6.296 -2.428 1.00 0.00 C ATOM 159 CG ASN A 10 -6.481 -7.436 -1.445 1.00 0.00 C ATOM 160 OD1 ASN A 10 -5.808 -7.293 -0.423 1.00 0.00 O ATOM 161 ND2 ASN A 10 -7.087 -8.578 -1.748 1.00 0.00 N ATOM 0 H ASN A 10 -5.579 -3.680 -1.784 1.00 0.00 H new ATOM 0 HA ASN A 10 -4.524 -6.267 -2.695 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -7.395 -5.595 -2.040 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -7.049 -6.686 -3.367 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -7.005 -9.380 -1.124 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -7.635 -8.653 -2.605 1.00 0.00 H new ATOM 168 N PRO A 11 -5.092 -5.634 -5.139 1.00 0.00 N ATOM 169 CA PRO A 11 -5.109 -5.106 -6.507 1.00 0.00 C ATOM 170 C PRO A 11 -6.510 -4.703 -6.955 1.00 0.00 C ATOM 171 O PRO A 11 -6.671 -3.840 -7.817 1.00 0.00 O ATOM 172 CB PRO A 11 -4.594 -6.275 -7.352 1.00 0.00 C ATOM 173 CG PRO A 11 -4.851 -7.489 -6.528 1.00 0.00 C ATOM 174 CD PRO A 11 -4.702 -7.055 -5.099 1.00 0.00 C ATOM 0 HA PRO A 11 -4.508 -4.201 -6.599 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -5.114 -6.330 -8.308 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -3.532 -6.165 -7.572 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -5.850 -7.883 -6.714 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -4.145 -8.283 -6.771 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.345 -7.631 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.680 -7.183 -4.743 1.00 0.00 H new ATOM 182 N ASN A 12 -7.521 -5.332 -6.363 1.00 0.00 N ATOM 183 CA ASN A 12 -8.908 -5.038 -6.702 1.00 0.00 C ATOM 184 C ASN A 12 -9.445 -3.891 -5.852 1.00 0.00 C ATOM 185 O ASN A 12 -9.918 -2.883 -6.378 1.00 0.00 O ATOM 186 CB ASN A 12 -9.777 -6.281 -6.510 1.00 0.00 C ATOM 187 CG ASN A 12 -9.779 -7.181 -7.731 1.00 0.00 C ATOM 188 OD1 ASN A 12 -10.077 -6.740 -8.841 1.00 0.00 O ATOM 189 ND2 ASN A 12 -9.445 -8.450 -7.531 1.00 0.00 N ATOM 0 H ASN A 12 -7.405 -6.048 -5.646 1.00 0.00 H new ATOM 0 HA ASN A 12 -8.943 -4.737 -7.749 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -9.416 -6.843 -5.649 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -10.799 -5.975 -6.286 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -9.428 -9.103 -8.315 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -9.205 -8.773 -6.594 1.00 0.00 H new ATOM 196 N ASP A 13 -9.368 -4.052 -4.535 1.00 0.00 N ATOM 197 CA ASP A 13 -9.848 -3.030 -3.611 1.00 0.00 C ATOM 198 C ASP A 13 -8.910 -1.827 -3.595 1.00 0.00 C ATOM 199 O ASP A 13 -9.347 -0.685 -3.729 1.00 0.00 O ATOM 200 CB ASP A 13 -9.977 -3.608 -2.201 1.00 0.00 C ATOM 201 CG ASP A 13 -10.740 -4.919 -2.180 1.00 0.00 C ATOM 202 OD1 ASP A 13 -11.492 -5.182 -3.142 1.00 0.00 O ATOM 203 OD2 ASP A 13 -10.583 -5.681 -1.204 1.00 0.00 O ATOM 0 H ASP A 13 -8.978 -4.879 -4.084 1.00 0.00 H new ATOM 0 HA ASP A 13 -10.829 -2.699 -3.952 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -8.982 -3.763 -1.783 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -10.483 -2.886 -1.560 1.00 0.00 H new ATOM 208 N ASP A 14 -7.617 -2.093 -3.432 1.00 0.00 N ATOM 209 CA ASP A 14 -6.616 -1.032 -3.398 1.00 0.00 C ATOM 210 C ASP A 14 -6.855 -0.093 -2.220 1.00 0.00 C ATOM 211 O ASP A 14 -7.898 0.554 -2.130 1.00 0.00 O ATOM 212 CB ASP A 14 -6.635 -0.241 -4.709 1.00 0.00 C ATOM 213 CG ASP A 14 -5.311 0.439 -4.992 1.00 0.00 C ATOM 214 OD1 ASP A 14 -4.664 0.903 -4.030 1.00 0.00 O ATOM 215 OD2 ASP A 14 -4.921 0.508 -6.177 1.00 0.00 O ATOM 0 H ASP A 14 -7.238 -3.034 -3.321 1.00 0.00 H new ATOM 0 HA ASP A 14 -5.637 -1.496 -3.275 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -6.879 -0.913 -5.532 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -7.424 0.510 -4.666 1.00 0.00 H new ATOM 220 N LYS A 15 -5.880 -0.024 -1.320 1.00 0.00 N ATOM 221 CA LYS A 15 -5.983 0.837 -0.146 1.00 0.00 C ATOM 222 C LYS A 15 -5.029 2.023 -0.256 1.00 0.00 C ATOM 223 O LYS A 15 -5.283 3.091 0.304 1.00 0.00 O ATOM 224 CB LYS A 15 -5.683 0.043 1.127 1.00 0.00 C ATOM 225 CG LYS A 15 -6.286 -1.354 1.130 1.00 0.00 C ATOM 226 CD LYS A 15 -7.805 -1.308 1.210 1.00 0.00 C ATOM 227 CE LYS A 15 -8.310 -1.818 2.551 1.00 0.00 C ATOM 228 NZ LYS A 15 -8.786 -3.226 2.466 1.00 0.00 N ATOM 0 H LYS A 15 -5.010 -0.553 -1.380 1.00 0.00 H new ATOM 0 HA LYS A 15 -7.004 1.217 -0.095 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -4.603 -0.036 1.250 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -6.062 0.595 1.987 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -5.985 -1.883 0.226 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -5.893 -1.919 1.976 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -8.147 -0.285 1.057 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -8.231 -1.910 0.407 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -7.512 -1.749 3.290 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -9.123 -1.180 2.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -9.122 -3.536 3.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -9.565 -3.288 1.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -8.004 -3.839 2.158 1.00 0.00 H new ATOM 242 N CYS A 16 -3.932 1.831 -0.983 1.00 0.00 N ATOM 243 CA CYS A 16 -2.946 2.890 -1.165 1.00 0.00 C ATOM 244 C CYS A 16 -3.584 4.105 -1.831 1.00 0.00 C ATOM 245 O CYS A 16 -3.658 4.186 -3.057 1.00 0.00 O ATOM 246 CB CYS A 16 -1.770 2.389 -2.010 1.00 0.00 C ATOM 247 SG CYS A 16 -1.162 0.733 -1.548 1.00 0.00 S ATOM 0 H CYS A 16 -3.704 0.955 -1.454 1.00 0.00 H new ATOM 0 HA CYS A 16 -2.574 3.182 -0.183 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -2.072 2.373 -3.057 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -0.949 3.101 -1.926 1.00 0.00 H new ATOM 252 N CYS A 17 -4.051 5.044 -1.015 1.00 0.00 N ATOM 253 CA CYS A 17 -4.692 6.250 -1.526 1.00 0.00 C ATOM 254 C CYS A 17 -3.705 7.412 -1.599 1.00 0.00 C ATOM 255 O CYS A 17 -4.098 8.577 -1.521 1.00 0.00 O ATOM 256 CB CYS A 17 -5.882 6.630 -0.645 1.00 0.00 C ATOM 257 SG CYS A 17 -7.071 5.273 -0.381 1.00 0.00 S ATOM 0 H CYS A 17 -3.998 4.993 0.002 1.00 0.00 H new ATOM 0 HA CYS A 17 -5.045 6.040 -2.535 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -5.511 6.968 0.323 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.403 7.473 -1.099 1.00 0.00 H new ATOM 262 N ARG A 18 -2.424 7.092 -1.755 1.00 0.00 N ATOM 263 CA ARG A 18 -1.388 8.114 -1.846 1.00 0.00 C ATOM 264 C ARG A 18 -0.616 7.979 -3.156 1.00 0.00 C ATOM 265 O ARG A 18 -0.342 6.868 -3.612 1.00 0.00 O ATOM 266 CB ARG A 18 -0.430 8.014 -0.654 1.00 0.00 C ATOM 267 CG ARG A 18 -0.476 9.224 0.264 1.00 0.00 C ATOM 268 CD ARG A 18 -1.789 9.293 1.028 1.00 0.00 C ATOM 269 NE ARG A 18 -2.028 10.622 1.585 1.00 0.00 N ATOM 270 CZ ARG A 18 -1.400 11.102 2.656 1.00 0.00 C ATOM 271 NH1 ARG A 18 -0.495 10.364 3.288 1.00 0.00 N ATOM 272 NH2 ARG A 18 -1.677 12.321 3.097 1.00 0.00 N ATOM 0 H ARG A 18 -2.079 6.134 -1.821 1.00 0.00 H new ATOM 0 HA ARG A 18 -1.869 9.092 -1.825 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -0.672 7.121 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 18 0.587 7.888 -1.025 1.00 0.00 H new ATOM 0 HG2 ARG A 18 0.354 9.179 0.969 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -0.347 10.133 -0.323 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -2.610 9.025 0.363 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -1.779 8.559 1.833 1.00 0.00 H new ATOM 0 HE ARG A 18 -2.717 11.218 1.126 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -0.279 9.425 2.953 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -0.016 10.736 4.108 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -2.372 12.892 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -1.195 12.688 3.918 1.00 0.00 H new ATOM 286 N PRO A 19 -0.250 9.111 -3.782 1.00 0.00 N ATOM 287 CA PRO A 19 0.496 9.108 -5.045 1.00 0.00 C ATOM 288 C PRO A 19 1.919 8.628 -4.888 1.00 0.00 C ATOM 289 O PRO A 19 2.639 8.460 -5.873 1.00 0.00 O ATOM 290 CB PRO A 19 0.466 10.574 -5.482 1.00 0.00 C ATOM 291 CG PRO A 19 0.305 11.343 -4.217 1.00 0.00 C ATOM 292 CD PRO A 19 -0.532 10.480 -3.312 1.00 0.00 C ATOM 0 HA PRO A 19 0.054 8.423 -5.769 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.384 10.852 -6.000 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -0.358 10.765 -6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 19 1.273 11.558 -3.765 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -0.181 12.301 -4.402 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -0.256 10.610 -2.266 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -1.592 10.722 -3.394 1.00 0.00 H new ATOM 300 N LYS A 20 2.332 8.418 -3.654 1.00 0.00 N ATOM 301 CA LYS A 20 3.676 7.973 -3.394 1.00 0.00 C ATOM 302 C LYS A 20 3.711 6.535 -2.861 1.00 0.00 C ATOM 303 O LYS A 20 4.776 5.924 -2.783 1.00 0.00 O ATOM 304 CB LYS A 20 4.337 8.970 -2.452 1.00 0.00 C ATOM 305 CG LYS A 20 4.838 8.397 -1.130 1.00 0.00 C ATOM 306 CD LYS A 20 3.690 8.121 -0.170 1.00 0.00 C ATOM 307 CE LYS A 20 2.853 9.365 0.083 1.00 0.00 C ATOM 308 NZ LYS A 20 2.580 9.566 1.533 1.00 0.00 N ATOM 0 H LYS A 20 1.756 8.549 -2.823 1.00 0.00 H new ATOM 0 HA LYS A 20 4.241 7.942 -4.325 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.179 9.429 -2.970 1.00 0.00 H new ATOM 0 HB3 LYS A 20 3.624 9.765 -2.235 1.00 0.00 H new ATOM 0 HG2 LYS A 20 5.387 7.474 -1.317 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.537 9.096 -0.671 1.00 0.00 H new ATOM 0 HD2 LYS A 20 3.056 7.334 -0.578 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.088 7.752 0.775 1.00 0.00 H new ATOM 0 HE2 LYS A 20 3.372 10.238 -0.313 1.00 0.00 H new ATOM 0 HE3 LYS A 20 1.909 9.283 -0.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 1.965 10.395 1.659 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 2.108 8.723 1.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 3.477 9.721 2.037 1.00 0.00 H new ATOM 322 N LEU A 21 2.545 5.993 -2.510 1.00 0.00 N ATOM 323 CA LEU A 21 2.465 4.624 -2.005 1.00 0.00 C ATOM 324 C LEU A 21 2.582 3.623 -3.149 1.00 0.00 C ATOM 325 O LEU A 21 2.780 4.005 -4.302 1.00 0.00 O ATOM 326 CB LEU A 21 1.150 4.398 -1.252 1.00 0.00 C ATOM 327 CG LEU A 21 1.027 5.121 0.090 1.00 0.00 C ATOM 328 CD1 LEU A 21 -0.332 4.853 0.715 1.00 0.00 C ATOM 329 CD2 LEU A 21 2.139 4.690 1.033 1.00 0.00 C ATOM 0 H LEU A 21 1.649 6.477 -2.566 1.00 0.00 H new ATOM 0 HA LEU A 21 3.295 4.472 -1.315 1.00 0.00 H new ATOM 0 HB2 LEU A 21 0.326 4.714 -1.892 1.00 0.00 H new ATOM 0 HB3 LEU A 21 1.029 3.328 -1.081 1.00 0.00 H new ATOM 0 HG LEU A 21 1.122 6.192 -0.087 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -0.403 5.375 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.116 5.210 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -0.453 3.782 0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 21 2.035 5.215 1.983 1.00 0.00 H new ATOM 0 HD22 LEU A 21 2.075 3.615 1.204 1.00 0.00 H new ATOM 0 HD23 LEU A 21 3.105 4.930 0.590 1.00 0.00 H new ATOM 341 N LYS A 22 2.458 2.339 -2.824 1.00 0.00 N ATOM 342 CA LYS A 22 2.549 1.288 -3.830 1.00 0.00 C ATOM 343 C LYS A 22 2.182 -0.069 -3.237 1.00 0.00 C ATOM 344 O LYS A 22 2.924 -0.624 -2.427 1.00 0.00 O ATOM 345 CB LYS A 22 3.961 1.235 -4.417 1.00 0.00 C ATOM 346 CG LYS A 22 3.992 0.901 -5.899 1.00 0.00 C ATOM 347 CD LYS A 22 3.727 -0.576 -6.143 1.00 0.00 C ATOM 348 CE LYS A 22 3.899 -0.938 -7.608 1.00 0.00 C ATOM 349 NZ LYS A 22 5.331 -0.915 -8.021 1.00 0.00 N ATOM 0 H LYS A 22 2.295 2.003 -1.875 1.00 0.00 H new ATOM 0 HA LYS A 22 1.840 1.520 -4.625 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.447 2.198 -4.260 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.544 0.491 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 22 3.245 1.497 -6.423 1.00 0.00 H new ATOM 0 HG3 LYS A 22 4.963 1.171 -6.314 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.408 -1.174 -5.537 1.00 0.00 H new ATOM 0 HD3 LYS A 22 2.715 -0.823 -5.823 1.00 0.00 H new ATOM 0 HE2 LYS A 22 3.485 -1.930 -7.788 1.00 0.00 H new ATOM 0 HE3 LYS A 22 3.332 -0.240 -8.224 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 5.425 -1.328 -8.971 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 5.673 0.067 -8.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.896 -1.468 -7.346 1.00 0.00 H new ATOM 363 N CYS A 23 1.034 -0.598 -3.649 1.00 0.00 N ATOM 364 CA CYS A 23 0.570 -1.892 -3.161 1.00 0.00 C ATOM 365 C CYS A 23 1.432 -3.019 -3.725 1.00 0.00 C ATOM 366 O CYS A 23 0.960 -3.846 -4.506 1.00 0.00 O ATOM 367 CB CYS A 23 -0.897 -2.110 -3.542 1.00 0.00 C ATOM 368 SG CYS A 23 -1.760 -3.344 -2.516 1.00 0.00 S ATOM 0 H CYS A 23 0.408 -0.151 -4.319 1.00 0.00 H new ATOM 0 HA CYS A 23 0.656 -1.900 -2.074 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -1.425 -1.159 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.947 -2.422 -4.585 1.00 0.00 H new ATOM 373 N SER A 24 2.700 -3.041 -3.325 1.00 0.00 N ATOM 374 CA SER A 24 3.632 -4.061 -3.791 1.00 0.00 C ATOM 375 C SER A 24 3.133 -5.459 -3.445 1.00 0.00 C ATOM 376 O SER A 24 2.362 -5.639 -2.502 1.00 0.00 O ATOM 377 CB SER A 24 5.015 -3.834 -3.177 1.00 0.00 C ATOM 378 OG SER A 24 5.965 -4.742 -3.710 1.00 0.00 O ATOM 0 H SER A 24 3.105 -2.364 -2.679 1.00 0.00 H new ATOM 0 HA SER A 24 3.704 -3.982 -4.876 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.338 -2.811 -3.369 1.00 0.00 H new ATOM 0 HB3 SER A 24 4.960 -3.954 -2.095 1.00 0.00 H new ATOM 0 HG SER A 24 6.841 -4.575 -3.303 1.00 0.00 H new ATOM 384 N LYS A 25 3.579 -6.447 -4.214 1.00 0.00 N ATOM 385 CA LYS A 25 3.179 -7.831 -3.989 1.00 0.00 C ATOM 386 C LYS A 25 4.166 -8.552 -3.072 1.00 0.00 C ATOM 387 O LYS A 25 4.098 -9.771 -2.915 1.00 0.00 O ATOM 388 CB LYS A 25 3.070 -8.574 -5.322 1.00 0.00 C ATOM 389 CG LYS A 25 4.358 -8.564 -6.130 1.00 0.00 C ATOM 390 CD LYS A 25 4.366 -9.663 -7.180 1.00 0.00 C ATOM 391 CE LYS A 25 4.715 -11.011 -6.572 1.00 0.00 C ATOM 392 NZ LYS A 25 4.586 -12.117 -7.561 1.00 0.00 N ATOM 0 H LYS A 25 4.218 -6.315 -4.998 1.00 0.00 H new ATOM 0 HA LYS A 25 2.205 -7.821 -3.501 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.779 -9.607 -5.130 1.00 0.00 H new ATOM 0 HB3 LYS A 25 2.275 -8.124 -5.916 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.477 -7.595 -6.615 1.00 0.00 H new ATOM 0 HG3 LYS A 25 5.209 -8.692 -5.461 1.00 0.00 H new ATOM 0 HD2 LYS A 25 3.387 -9.720 -7.656 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.086 -9.417 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 25 5.735 -10.983 -6.189 1.00 0.00 H new ATOM 0 HE3 LYS A 25 4.061 -11.206 -5.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.833 -13.019 -7.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.606 -12.160 -7.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.229 -11.945 -8.360 1.00 0.00 H new ATOM 406 N LEU A 26 5.080 -7.797 -2.466 1.00 0.00 N ATOM 407 CA LEU A 26 6.072 -8.378 -1.568 1.00 0.00 C ATOM 408 C LEU A 26 5.393 -9.085 -0.398 1.00 0.00 C ATOM 409 O LEU A 26 5.696 -10.240 -0.098 1.00 0.00 O ATOM 410 CB LEU A 26 7.021 -7.291 -1.054 1.00 0.00 C ATOM 411 CG LEU A 26 7.985 -7.735 0.048 1.00 0.00 C ATOM 412 CD1 LEU A 26 9.054 -8.658 -0.518 1.00 0.00 C ATOM 413 CD2 LEU A 26 8.622 -6.527 0.717 1.00 0.00 C ATOM 0 H LEU A 26 5.153 -6.786 -2.581 1.00 0.00 H new ATOM 0 HA LEU A 26 6.650 -9.116 -2.125 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.604 -6.913 -1.894 1.00 0.00 H new ATOM 0 HB3 LEU A 26 6.425 -6.459 -0.680 1.00 0.00 H new ATOM 0 HG LEU A 26 7.419 -8.286 0.799 1.00 0.00 H new ATOM 0 HD11 LEU A 26 9.731 -8.964 0.280 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.581 -9.540 -0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 26 9.617 -8.133 -1.290 1.00 0.00 H new ATOM 0 HD21 LEU A 26 9.305 -6.862 1.498 1.00 0.00 H new ATOM 0 HD22 LEU A 26 9.174 -5.949 -0.024 1.00 0.00 H new ATOM 0 HD23 LEU A 26 7.844 -5.903 1.157 1.00 0.00 H new ATOM 425 N PHE A 27 4.466 -8.389 0.253 1.00 0.00 N ATOM 426 CA PHE A 27 3.740 -8.959 1.383 1.00 0.00 C ATOM 427 C PHE A 27 2.294 -8.459 1.428 1.00 0.00 C ATOM 428 O PHE A 27 1.606 -8.627 2.433 1.00 0.00 O ATOM 429 CB PHE A 27 4.455 -8.653 2.708 1.00 0.00 C ATOM 430 CG PHE A 27 4.773 -7.198 2.938 1.00 0.00 C ATOM 431 CD1 PHE A 27 5.518 -6.473 2.021 1.00 0.00 C ATOM 432 CD2 PHE A 27 4.334 -6.558 4.088 1.00 0.00 C ATOM 433 CE1 PHE A 27 5.815 -5.142 2.243 1.00 0.00 C ATOM 434 CE2 PHE A 27 4.630 -5.227 4.315 1.00 0.00 C ATOM 435 CZ PHE A 27 5.369 -4.518 3.391 1.00 0.00 C ATOM 0 H PHE A 27 4.200 -7.433 0.019 1.00 0.00 H new ATOM 0 HA PHE A 27 3.718 -10.040 1.245 1.00 0.00 H new ATOM 0 HB2 PHE A 27 3.833 -9.008 3.530 1.00 0.00 H new ATOM 0 HB3 PHE A 27 5.384 -9.222 2.742 1.00 0.00 H new ATOM 0 HD1 PHE A 27 5.871 -6.955 1.121 1.00 0.00 H new ATOM 0 HD2 PHE A 27 3.754 -7.107 4.815 1.00 0.00 H new ATOM 0 HE1 PHE A 27 6.396 -4.590 1.519 1.00 0.00 H new ATOM 0 HE2 PHE A 27 4.283 -4.742 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 27 5.598 -3.477 3.565 1.00 0.00 H new ATOM 445 N LYS A 28 1.837 -7.861 0.327 1.00 0.00 N ATOM 446 CA LYS A 28 0.468 -7.351 0.232 1.00 0.00 C ATOM 447 C LYS A 28 0.254 -6.148 1.149 1.00 0.00 C ATOM 448 O LYS A 28 -0.689 -6.119 1.939 1.00 0.00 O ATOM 449 CB LYS A 28 -0.538 -8.453 0.573 1.00 0.00 C ATOM 450 CG LYS A 28 -0.347 -9.725 -0.238 1.00 0.00 C ATOM 451 CD LYS A 28 -1.672 -10.418 -0.508 1.00 0.00 C ATOM 452 CE LYS A 28 -2.337 -10.871 0.781 1.00 0.00 C ATOM 453 NZ LYS A 28 -3.792 -11.127 0.596 1.00 0.00 N ATOM 0 H LYS A 28 2.396 -7.718 -0.514 1.00 0.00 H new ATOM 0 HA LYS A 28 0.308 -7.026 -0.796 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.456 -8.693 1.633 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -1.547 -8.075 0.409 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.139 -9.485 -1.184 1.00 0.00 H new ATOM 0 HG3 LYS A 28 0.317 -10.403 0.298 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -2.337 -9.739 -1.042 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -1.508 -11.279 -1.156 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -1.852 -11.779 1.140 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -2.197 -10.110 1.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -4.208 -11.434 1.498 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -4.260 -10.255 0.278 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -3.925 -11.872 -0.118 1.00 0.00 H new ATOM 467 N LEU A 29 1.130 -5.155 1.035 1.00 0.00 N ATOM 468 CA LEU A 29 1.028 -3.951 1.854 1.00 0.00 C ATOM 469 C LEU A 29 1.467 -2.718 1.066 1.00 0.00 C ATOM 470 O LEU A 29 2.319 -2.806 0.182 1.00 0.00 O ATOM 471 CB LEU A 29 1.873 -4.098 3.122 1.00 0.00 C ATOM 472 CG LEU A 29 1.224 -4.916 4.244 1.00 0.00 C ATOM 473 CD1 LEU A 29 1.281 -6.402 3.928 1.00 0.00 C ATOM 474 CD2 LEU A 29 1.901 -4.630 5.578 1.00 0.00 C ATOM 0 H LEU A 29 1.917 -5.159 0.386 1.00 0.00 H new ATOM 0 HA LEU A 29 -0.016 -3.820 2.139 1.00 0.00 H new ATOM 0 HB2 LEU A 29 2.822 -4.564 2.856 1.00 0.00 H new ATOM 0 HB3 LEU A 29 2.102 -3.103 3.504 1.00 0.00 H new ATOM 0 HG LEU A 29 0.178 -4.620 4.318 1.00 0.00 H new ATOM 0 HD11 LEU A 29 0.815 -6.964 4.737 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.748 -6.597 2.997 1.00 0.00 H new ATOM 0 HD13 LEU A 29 2.321 -6.712 3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 29 1.426 -5.220 6.361 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.957 -4.894 5.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 1.806 -3.570 5.814 1.00 0.00 H new ATOM 486 N CYS A 30 0.873 -1.571 1.389 1.00 0.00 N ATOM 487 CA CYS A 30 1.198 -0.322 0.705 1.00 0.00 C ATOM 488 C CYS A 30 2.638 0.100 0.980 1.00 0.00 C ATOM 489 O CYS A 30 2.918 0.779 1.967 1.00 0.00 O ATOM 490 CB CYS A 30 0.243 0.793 1.140 1.00 0.00 C ATOM 491 SG CYS A 30 -1.441 0.644 0.461 1.00 0.00 S ATOM 0 H CYS A 30 0.166 -1.481 2.118 1.00 0.00 H new ATOM 0 HA CYS A 30 1.086 -0.494 -0.366 1.00 0.00 H new ATOM 0 HB2 CYS A 30 0.184 0.801 2.228 1.00 0.00 H new ATOM 0 HB3 CYS A 30 0.661 1.753 0.836 1.00 0.00 H new ATOM 496 N ASN A 31 3.546 -0.302 0.097 1.00 0.00 N ATOM 497 CA ASN A 31 4.955 0.042 0.240 1.00 0.00 C ATOM 498 C ASN A 31 5.209 1.473 -0.220 1.00 0.00 C ATOM 499 O ASN A 31 4.869 1.843 -1.343 1.00 0.00 O ATOM 500 CB ASN A 31 5.823 -0.925 -0.567 1.00 0.00 C ATOM 501 CG ASN A 31 6.197 -2.164 0.222 1.00 0.00 C ATOM 502 OD1 ASN A 31 5.987 -3.289 -0.232 1.00 0.00 O ATOM 503 ND2 ASN A 31 6.756 -1.963 1.410 1.00 0.00 N ATOM 0 H ASN A 31 3.331 -0.866 -0.725 1.00 0.00 H new ATOM 0 HA ASN A 31 5.220 -0.038 1.294 1.00 0.00 H new ATOM 0 HB2 ASN A 31 5.289 -1.220 -1.470 1.00 0.00 H new ATOM 0 HB3 ASN A 31 6.731 -0.413 -0.886 1.00 0.00 H new ATOM 0 HD21 ASN A 31 7.030 -2.759 1.986 1.00 0.00 H new ATOM 0 HD22 ASN A 31 6.911 -1.013 1.746 1.00 0.00 H new ATOM 510 N PHE A 32 5.805 2.277 0.655 1.00 0.00 N ATOM 511 CA PHE A 32 6.101 3.670 0.334 1.00 0.00 C ATOM 512 C PHE A 32 6.942 3.771 -0.935 1.00 0.00 C ATOM 513 O PHE A 32 7.297 2.758 -1.538 1.00 0.00 O ATOM 514 CB PHE A 32 6.834 4.341 1.498 1.00 0.00 C ATOM 515 CG PHE A 32 5.926 5.056 2.458 1.00 0.00 C ATOM 516 CD1 PHE A 32 4.874 5.833 1.998 1.00 0.00 C ATOM 517 CD2 PHE A 32 6.129 4.956 3.825 1.00 0.00 C ATOM 518 CE1 PHE A 32 4.042 6.493 2.882 1.00 0.00 C ATOM 519 CE2 PHE A 32 5.300 5.614 4.714 1.00 0.00 C ATOM 520 CZ PHE A 32 4.256 6.384 4.241 1.00 0.00 C ATOM 0 H PHE A 32 6.092 1.989 1.590 1.00 0.00 H new ATOM 0 HA PHE A 32 5.155 4.184 0.164 1.00 0.00 H new ATOM 0 HB2 PHE A 32 7.399 3.585 2.043 1.00 0.00 H new ATOM 0 HB3 PHE A 32 7.556 5.053 1.098 1.00 0.00 H new ATOM 0 HD1 PHE A 32 4.703 5.924 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 32 6.945 4.357 4.201 1.00 0.00 H new ATOM 0 HE1 PHE A 32 3.225 7.094 2.510 1.00 0.00 H new ATOM 0 HE2 PHE A 32 5.469 5.526 5.777 1.00 0.00 H new ATOM 0 HZ PHE A 32 3.608 6.900 4.934 1.00 0.00 H new ATOM 530 N SER A 33 7.255 4.999 -1.336 1.00 0.00 N ATOM 531 CA SER A 33 8.054 5.231 -2.534 1.00 0.00 C ATOM 532 C SER A 33 9.536 5.006 -2.252 1.00 0.00 C ATOM 533 O SER A 33 10.263 4.473 -3.089 1.00 0.00 O ATOM 534 CB SER A 33 7.832 6.653 -3.052 1.00 0.00 C ATOM 535 OG SER A 33 8.608 7.589 -2.324 1.00 0.00 O ATOM 0 H SER A 33 6.968 5.848 -0.849 1.00 0.00 H new ATOM 0 HA SER A 33 7.736 4.520 -3.296 1.00 0.00 H new ATOM 0 HB2 SER A 33 8.094 6.703 -4.109 1.00 0.00 H new ATOM 0 HB3 SER A 33 6.776 6.911 -2.972 1.00 0.00 H new ATOM 0 HG SER A 33 8.449 8.490 -2.676 1.00 0.00 H new ATOM 541 N PHE A 34 9.976 5.416 -1.066 1.00 0.00 N ATOM 542 CA PHE A 34 11.373 5.258 -0.674 1.00 0.00 C ATOM 543 C PHE A 34 11.493 4.370 0.559 1.00 0.00 C ATOM 544 O PHE A 34 10.475 4.188 1.260 1.00 0.00 O ATOM 545 CB PHE A 34 12.003 6.625 -0.396 1.00 0.00 C ATOM 546 CG PHE A 34 11.367 7.357 0.751 1.00 0.00 C ATOM 547 CD1 PHE A 34 10.132 7.965 0.603 1.00 0.00 C ATOM 548 CD2 PHE A 34 12.007 7.437 1.978 1.00 0.00 C ATOM 549 CE1 PHE A 34 9.545 8.639 1.658 1.00 0.00 C ATOM 550 CE2 PHE A 34 11.425 8.109 3.035 1.00 0.00 C ATOM 551 CZ PHE A 34 10.192 8.712 2.875 1.00 0.00 C ATOM 552 OXT PHE A 34 12.606 3.861 0.814 1.00 0.00 O ATOM 0 H PHE A 34 9.387 5.859 -0.361 1.00 0.00 H new ATOM 0 HA PHE A 34 11.905 4.781 -1.497 1.00 0.00 H new ATOM 0 HB2 PHE A 34 13.064 6.491 -0.187 1.00 0.00 H new ATOM 0 HB3 PHE A 34 11.930 7.239 -1.294 1.00 0.00 H new ATOM 0 HD1 PHE A 34 9.621 7.912 -0.347 1.00 0.00 H new ATOM 0 HD2 PHE A 34 12.971 6.969 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 34 8.581 9.108 1.530 1.00 0.00 H new ATOM 0 HE2 PHE A 34 11.933 8.163 3.986 1.00 0.00 H new ATOM 0 HZ PHE A 34 9.736 9.239 3.700 1.00 0.00 H new TER 562 PHE A 34