USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 452 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 10 THR OG1 : rot 140:sc= -0.896 USER MOD Set 1.2: A 44 ASN : amide:sc= -0.345 K(o=-3.5,f=-5) USER MOD Set 1.3: A 46 ASN : amide:sc= -2.29 K(o=-3.5,f=-6.7!) USER MOD Set 2.1: A 38 TYR OH : rot 74:sc= 0.716 USER MOD Set 2.2: A 47 ASN : amide:sc= -5.48! C(o=-4.8!,f=-7.1!) USER MOD Set 3.1: A 1 GLU N :NH3+ -166:sc= 0.00505 (180deg=-0.0988) USER MOD Set 3.2: A 3 HIS : no HD1:sc= 0.00632 X(o=0.011,f=-0.012) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 20 ASN : amide:sc= -0.182 X(o=-0.18,f=-0.12) USER MOD Single : A 22 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.61) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 ASN : amide:sc= -0.931 K(o=-0.93,f=-3.4) USER MOD Single : A 28 SER OG : rot -40:sc= -2.51! USER MOD Single : A 32 LYS NZ :NH3+ 143:sc= 0 (180deg=-0.0196) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.311 K(o=-0.31,f=-3.7!) USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 38.834 17.561 0.490 1.00 0.00 N ATOM 2 CA GLU A 1 38.775 16.880 -0.836 1.00 0.00 C ATOM 3 C GLU A 1 39.885 15.831 -0.938 1.00 0.00 C ATOM 4 O GLU A 1 39.627 14.668 -1.190 1.00 0.00 O ATOM 5 CB GLU A 1 38.991 17.992 -1.862 1.00 0.00 C ATOM 6 CG GLU A 1 37.668 18.719 -2.114 1.00 0.00 C ATOM 7 CD GLU A 1 37.928 19.978 -2.943 1.00 0.00 C ATOM 8 OE1 GLU A 1 38.890 20.669 -2.651 1.00 0.00 O ATOM 9 OE2 GLU A 1 37.159 20.230 -3.856 1.00 0.00 O ATOM 0 H1 GLU A 1 37.953 18.091 0.647 1.00 0.00 H new ATOM 0 H2 GLU A 1 38.949 16.850 1.240 1.00 0.00 H new ATOM 0 H3 GLU A 1 39.641 18.217 0.508 1.00 0.00 H new ATOM 0 HA GLU A 1 37.830 16.360 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 1 39.741 18.695 -1.500 1.00 0.00 H new ATOM 0 HB3 GLU A 1 39.371 17.573 -2.794 1.00 0.00 H new ATOM 0 HG2 GLU A 1 36.974 18.062 -2.638 1.00 0.00 H new ATOM 0 HG3 GLU A 1 37.201 18.985 -1.166 1.00 0.00 H new ATOM 18 N PHE A 2 41.113 16.234 -0.743 1.00 0.00 N ATOM 19 CA PHE A 2 42.247 15.266 -0.825 1.00 0.00 C ATOM 20 C PHE A 2 42.440 14.564 0.516 1.00 0.00 C ATOM 21 O PHE A 2 42.803 13.405 0.574 1.00 0.00 O ATOM 22 CB PHE A 2 43.476 16.113 -1.146 1.00 0.00 C ATOM 23 CG PHE A 2 44.535 15.241 -1.772 1.00 0.00 C ATOM 24 CD1 PHE A 2 44.567 15.078 -3.160 1.00 0.00 C ATOM 25 CD2 PHE A 2 45.483 14.598 -0.968 1.00 0.00 C ATOM 26 CE1 PHE A 2 45.548 14.271 -3.748 1.00 0.00 C ATOM 27 CE2 PHE A 2 46.465 13.791 -1.555 1.00 0.00 C ATOM 28 CZ PHE A 2 46.497 13.627 -2.946 1.00 0.00 C ATOM 0 H PHE A 2 41.381 17.195 -0.530 1.00 0.00 H new ATOM 0 HA PHE A 2 42.069 14.496 -1.575 1.00 0.00 H new ATOM 0 HB2 PHE A 2 43.207 16.922 -1.825 1.00 0.00 H new ATOM 0 HB3 PHE A 2 43.860 16.575 -0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 2 43.835 15.575 -3.779 1.00 0.00 H new ATOM 0 HD2 PHE A 2 45.457 14.724 0.104 1.00 0.00 H new ATOM 0 HE1 PHE A 2 45.573 14.145 -4.820 1.00 0.00 H new ATOM 0 HE2 PHE A 2 47.198 13.295 -0.936 1.00 0.00 H new ATOM 0 HZ PHE A 2 47.254 13.004 -3.399 1.00 0.00 H new ATOM 38 N HIS A 3 42.213 15.268 1.599 1.00 0.00 N ATOM 39 CA HIS A 3 42.394 14.665 2.959 1.00 0.00 C ATOM 40 C HIS A 3 43.810 14.099 3.095 1.00 0.00 C ATOM 41 O HIS A 3 44.588 14.119 2.159 1.00 0.00 O ATOM 42 CB HIS A 3 41.351 13.545 3.072 1.00 0.00 C ATOM 43 CG HIS A 3 39.969 14.117 2.895 1.00 0.00 C ATOM 44 ND1 HIS A 3 39.069 13.601 1.977 1.00 0.00 N ATOM 45 CD2 HIS A 3 39.322 15.160 3.510 1.00 0.00 C ATOM 46 CE1 HIS A 3 37.940 14.327 2.064 1.00 0.00 C ATOM 47 NE2 HIS A 3 38.040 15.291 2.984 1.00 0.00 N ATOM 0 H HIS A 3 41.908 16.241 1.600 1.00 0.00 H new ATOM 0 HA HIS A 3 42.262 15.404 3.749 1.00 0.00 H new ATOM 0 HB2 HIS A 3 41.539 12.783 2.316 1.00 0.00 H new ATOM 0 HB3 HIS A 3 41.431 13.057 4.043 1.00 0.00 H new ATOM 0 HD2 HIS A 3 39.744 15.784 4.284 1.00 0.00 H new ATOM 0 HE1 HIS A 3 37.060 14.152 1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 3 37.330 15.975 3.245 1.00 0.00 H new ATOM 55 N GLY A 4 44.145 13.598 4.250 1.00 0.00 N ATOM 56 CA GLY A 4 45.507 13.031 4.457 1.00 0.00 C ATOM 57 C GLY A 4 45.645 12.537 5.906 1.00 0.00 C ATOM 58 O GLY A 4 46.440 13.076 6.651 1.00 0.00 O ATOM 0 H GLY A 4 43.532 13.556 5.064 1.00 0.00 H new ATOM 0 HA2 GLY A 4 45.678 12.208 3.764 1.00 0.00 H new ATOM 0 HA3 GLY A 4 46.263 13.788 4.247 1.00 0.00 H new ATOM 62 N PRO A 5 44.879 11.521 6.278 1.00 0.00 N ATOM 63 CA PRO A 5 44.970 10.987 7.658 1.00 0.00 C ATOM 64 C PRO A 5 46.379 10.441 7.918 1.00 0.00 C ATOM 65 O PRO A 5 47.335 10.858 7.290 1.00 0.00 O ATOM 66 CB PRO A 5 43.923 9.867 7.662 1.00 0.00 C ATOM 67 CG PRO A 5 43.264 9.798 6.272 1.00 0.00 C ATOM 68 CD PRO A 5 43.898 10.864 5.370 1.00 0.00 C ATOM 0 HA PRO A 5 44.791 11.731 8.435 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.392 8.913 7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.170 10.057 8.427 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.401 8.807 5.839 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.190 9.964 6.355 1.00 0.00 H new ATOM 0 HD2 PRO A 5 44.384 10.421 4.501 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.157 11.570 4.996 1.00 0.00 H new ATOM 76 N SER A 6 46.519 9.519 8.836 1.00 0.00 N ATOM 77 CA SER A 6 47.873 8.961 9.134 1.00 0.00 C ATOM 78 C SER A 6 47.902 7.450 8.907 1.00 0.00 C ATOM 79 O SER A 6 48.658 6.738 9.540 1.00 0.00 O ATOM 80 CB SER A 6 48.124 9.295 10.603 1.00 0.00 C ATOM 81 OG SER A 6 47.986 10.699 10.796 1.00 0.00 O ATOM 0 H SER A 6 45.757 9.129 9.391 1.00 0.00 H new ATOM 0 HA SER A 6 48.639 9.382 8.483 1.00 0.00 H new ATOM 0 HB2 SER A 6 47.417 8.758 11.236 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.123 8.972 10.896 1.00 0.00 H new ATOM 0 HG SER A 6 48.145 10.917 11.738 1.00 0.00 H new ATOM 87 N TRP A 7 47.095 6.957 7.999 1.00 0.00 N ATOM 88 CA TRP A 7 47.092 5.487 7.725 1.00 0.00 C ATOM 89 C TRP A 7 46.713 5.185 6.264 1.00 0.00 C ATOM 90 O TRP A 7 46.414 4.058 5.926 1.00 0.00 O ATOM 91 CB TRP A 7 46.070 4.887 8.698 1.00 0.00 C ATOM 92 CG TRP A 7 44.719 5.479 8.460 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.271 6.638 8.996 1.00 0.00 C ATOM 94 CD2 TRP A 7 43.634 4.959 7.640 1.00 0.00 C ATOM 95 NE1 TRP A 7 42.980 6.864 8.553 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.543 5.856 7.714 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.496 3.807 6.846 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.355 5.618 7.026 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.299 3.564 6.151 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.231 4.468 6.242 1.00 0.00 C ATOM 0 H TRP A 7 46.442 7.506 7.439 1.00 0.00 H new ATOM 0 HA TRP A 7 48.083 5.057 7.868 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.028 3.805 8.571 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.381 5.076 9.725 1.00 0.00 H new ATOM 0 HD1 TRP A 7 44.829 7.281 9.660 1.00 0.00 H new ATOM 0 HE1 TRP A 7 42.419 7.675 8.814 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.314 3.106 6.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.535 6.318 7.098 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.201 2.676 5.544 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.313 4.276 5.706 1.00 0.00 H new ATOM 111 N CYS A 8 46.757 6.165 5.388 1.00 0.00 N ATOM 112 CA CYS A 8 46.436 5.892 3.950 1.00 0.00 C ATOM 113 C CYS A 8 47.694 6.107 3.109 1.00 0.00 C ATOM 114 O CYS A 8 48.044 5.298 2.270 1.00 0.00 O ATOM 115 CB CYS A 8 45.345 6.887 3.537 1.00 0.00 C ATOM 116 SG CYS A 8 44.774 6.443 1.871 1.00 0.00 S ATOM 0 H CYS A 8 46.999 7.132 5.605 1.00 0.00 H new ATOM 0 HA CYS A 8 46.093 4.868 3.802 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.516 6.857 4.244 1.00 0.00 H new ATOM 0 HB3 CYS A 8 45.735 7.905 3.547 1.00 0.00 H new ATOM 121 N LEU A 9 48.381 7.195 3.344 1.00 0.00 N ATOM 122 CA LEU A 9 49.632 7.482 2.583 1.00 0.00 C ATOM 123 C LEU A 9 50.776 6.573 3.067 1.00 0.00 C ATOM 124 O LEU A 9 51.802 6.464 2.421 1.00 0.00 O ATOM 125 CB LEU A 9 49.941 8.953 2.878 1.00 0.00 C ATOM 126 CG LEU A 9 48.873 9.831 2.221 1.00 0.00 C ATOM 127 CD1 LEU A 9 48.640 11.086 3.066 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.339 10.237 0.823 1.00 0.00 C ATOM 0 H LEU A 9 48.127 7.901 4.035 1.00 0.00 H new ATOM 0 HA LEU A 9 49.520 7.296 1.515 1.00 0.00 H new ATOM 0 HB2 LEU A 9 49.959 9.125 3.954 1.00 0.00 H new ATOM 0 HB3 LEU A 9 50.928 9.214 2.497 1.00 0.00 H new ATOM 0 HG LEU A 9 47.941 9.270 2.148 1.00 0.00 H new ATOM 0 HD11 LEU A 9 47.879 11.707 2.593 1.00 0.00 H new ATOM 0 HD12 LEU A 9 48.305 10.797 4.062 1.00 0.00 H new ATOM 0 HD13 LEU A 9 49.570 11.649 3.145 1.00 0.00 H new ATOM 0 HD21 LEU A 9 48.580 10.862 0.354 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.272 10.795 0.898 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.498 9.344 0.219 1.00 0.00 H new ATOM 140 N THR A 10 50.610 5.919 4.199 1.00 0.00 N ATOM 141 CA THR A 10 51.692 5.016 4.720 1.00 0.00 C ATOM 142 C THR A 10 52.076 3.967 3.650 1.00 0.00 C ATOM 143 O THR A 10 51.236 3.587 2.859 1.00 0.00 O ATOM 144 CB THR A 10 51.090 4.332 5.957 1.00 0.00 C ATOM 145 OG1 THR A 10 52.052 3.450 6.519 1.00 0.00 O ATOM 146 CG2 THR A 10 49.842 3.538 5.563 1.00 0.00 C ATOM 0 H THR A 10 49.775 5.972 4.782 1.00 0.00 H new ATOM 0 HA THR A 10 52.601 5.566 4.965 1.00 0.00 H new ATOM 0 HB THR A 10 50.812 5.092 6.687 1.00 0.00 H new ATOM 0 HG1 THR A 10 52.017 3.508 7.497 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.423 3.057 6.447 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.102 4.213 5.132 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.111 2.778 4.829 1.00 0.00 H new ATOM 154 N PRO A 11 53.326 3.524 3.640 1.00 0.00 N ATOM 155 CA PRO A 11 53.753 2.522 2.631 1.00 0.00 C ATOM 156 C PRO A 11 52.975 1.213 2.804 1.00 0.00 C ATOM 157 O PRO A 11 52.223 1.047 3.746 1.00 0.00 O ATOM 158 CB PRO A 11 55.241 2.328 2.947 1.00 0.00 C ATOM 159 CG PRO A 11 55.619 3.231 4.135 1.00 0.00 C ATOM 160 CD PRO A 11 54.364 3.981 4.605 1.00 0.00 C ATOM 0 HA PRO A 11 53.573 2.837 1.603 1.00 0.00 H new ATOM 0 HB2 PRO A 11 55.443 1.284 3.188 1.00 0.00 H new ATOM 0 HB3 PRO A 11 55.847 2.577 2.076 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.028 2.632 4.949 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.393 3.939 3.840 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.102 3.727 5.632 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.502 5.062 4.569 1.00 0.00 H new ATOM 168 N ALA A 12 53.154 0.284 1.897 1.00 0.00 N ATOM 169 CA ALA A 12 52.431 -1.019 1.995 1.00 0.00 C ATOM 170 C ALA A 12 53.243 -2.014 2.827 1.00 0.00 C ATOM 171 O ALA A 12 54.303 -2.455 2.422 1.00 0.00 O ATOM 172 CB ALA A 12 52.301 -1.508 0.550 1.00 0.00 C ATOM 0 H ALA A 12 53.772 0.374 1.091 1.00 0.00 H new ATOM 0 HA ALA A 12 51.461 -0.918 2.481 1.00 0.00 H new ATOM 0 HB1 ALA A 12 51.779 -2.465 0.535 1.00 0.00 H new ATOM 0 HB2 ALA A 12 51.738 -0.778 -0.032 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.294 -1.630 0.116 1.00 0.00 H new ATOM 178 N ASP A 13 52.751 -2.372 3.986 1.00 0.00 N ATOM 179 CA ASP A 13 53.489 -3.342 4.852 1.00 0.00 C ATOM 180 C ASP A 13 53.435 -4.743 4.236 1.00 0.00 C ATOM 181 O ASP A 13 52.393 -5.370 4.196 1.00 0.00 O ATOM 182 CB ASP A 13 52.757 -3.317 6.195 1.00 0.00 C ATOM 183 CG ASP A 13 53.738 -3.649 7.320 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.598 -4.485 7.102 1.00 0.00 O ATOM 185 OD2 ASP A 13 53.611 -3.061 8.382 1.00 0.00 O ATOM 0 H ASP A 13 51.869 -2.034 4.371 1.00 0.00 H new ATOM 0 HA ASP A 13 54.542 -3.081 4.960 1.00 0.00 H new ATOM 0 HB2 ASP A 13 52.316 -2.334 6.362 1.00 0.00 H new ATOM 0 HB3 ASP A 13 51.939 -4.037 6.188 1.00 0.00 H new ATOM 190 N ARG A 14 54.549 -5.236 3.757 1.00 0.00 N ATOM 191 CA ARG A 14 54.566 -6.599 3.140 1.00 0.00 C ATOM 192 C ARG A 14 55.738 -7.422 3.688 1.00 0.00 C ATOM 193 O ARG A 14 56.465 -8.050 2.943 1.00 0.00 O ATOM 194 CB ARG A 14 54.728 -6.358 1.635 1.00 0.00 C ATOM 195 CG ARG A 14 56.017 -5.574 1.363 1.00 0.00 C ATOM 196 CD ARG A 14 56.134 -5.291 -0.136 1.00 0.00 C ATOM 197 NE ARG A 14 57.255 -4.318 -0.258 1.00 0.00 N ATOM 198 CZ ARG A 14 58.009 -4.320 -1.323 1.00 0.00 C ATOM 199 NH1 ARG A 14 57.493 -4.038 -2.488 1.00 0.00 N ATOM 200 NH2 ARG A 14 59.277 -4.607 -1.224 1.00 0.00 N ATOM 0 H ARG A 14 55.448 -4.754 3.766 1.00 0.00 H new ATOM 0 HA ARG A 14 53.659 -7.160 3.364 1.00 0.00 H new ATOM 0 HB2 ARG A 14 54.755 -7.311 1.107 1.00 0.00 H new ATOM 0 HB3 ARG A 14 53.870 -5.806 1.253 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.011 -4.638 1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 14 56.881 -6.144 1.705 1.00 0.00 H new ATOM 0 HD2 ARG A 14 56.341 -6.204 -0.695 1.00 0.00 H new ATOM 0 HD3 ARG A 14 55.207 -4.877 -0.533 1.00 0.00 H new ATOM 0 HE ARG A 14 57.433 -3.650 0.492 1.00 0.00 H new ATOM 0 HH11 ARG A 14 56.500 -3.816 -2.566 1.00 0.00 H new ATOM 0 HH12 ARG A 14 58.082 -4.039 -3.321 1.00 0.00 H new ATOM 0 HH21 ARG A 14 59.680 -4.830 -0.314 1.00 0.00 H new ATOM 0 HH22 ARG A 14 59.866 -4.608 -2.057 1.00 0.00 H new ATOM 214 N GLY A 15 55.918 -7.423 4.985 1.00 0.00 N ATOM 215 CA GLY A 15 57.038 -8.203 5.590 1.00 0.00 C ATOM 216 C GLY A 15 56.495 -9.086 6.714 1.00 0.00 C ATOM 217 O GLY A 15 55.559 -9.836 6.525 1.00 0.00 O ATOM 0 H GLY A 15 55.336 -6.916 5.651 1.00 0.00 H new ATOM 0 HA2 GLY A 15 57.519 -8.818 4.830 1.00 0.00 H new ATOM 0 HA3 GLY A 15 57.798 -7.526 5.980 1.00 0.00 H new ATOM 221 N LEU A 16 57.076 -8.994 7.887 1.00 0.00 N ATOM 222 CA LEU A 16 56.612 -9.816 9.054 1.00 0.00 C ATOM 223 C LEU A 16 56.656 -11.319 8.722 1.00 0.00 C ATOM 224 O LEU A 16 57.619 -11.994 9.034 1.00 0.00 O ATOM 225 CB LEU A 16 55.177 -9.353 9.351 1.00 0.00 C ATOM 226 CG LEU A 16 55.189 -8.337 10.495 1.00 0.00 C ATOM 227 CD1 LEU A 16 53.964 -7.429 10.385 1.00 0.00 C ATOM 228 CD2 LEU A 16 55.152 -9.078 11.832 1.00 0.00 C ATOM 0 H LEU A 16 57.862 -8.377 8.089 1.00 0.00 H new ATOM 0 HA LEU A 16 57.258 -9.678 9.921 1.00 0.00 H new ATOM 0 HB2 LEU A 16 54.737 -8.906 8.460 1.00 0.00 H new ATOM 0 HB3 LEU A 16 54.557 -10.208 9.618 1.00 0.00 H new ATOM 0 HG LEU A 16 56.095 -7.734 10.435 1.00 0.00 H new ATOM 0 HD11 LEU A 16 53.973 -6.705 11.200 1.00 0.00 H new ATOM 0 HD12 LEU A 16 53.987 -6.902 9.431 1.00 0.00 H new ATOM 0 HD13 LEU A 16 53.058 -8.032 10.445 1.00 0.00 H new ATOM 0 HD21 LEU A 16 55.161 -8.356 12.649 1.00 0.00 H new ATOM 0 HD22 LEU A 16 54.245 -9.680 11.889 1.00 0.00 H new ATOM 0 HD23 LEU A 16 56.024 -9.727 11.913 1.00 0.00 H new ATOM 240 N CYS A 17 55.625 -11.850 8.105 1.00 0.00 N ATOM 241 CA CYS A 17 55.612 -13.309 7.770 1.00 0.00 C ATOM 242 C CYS A 17 55.512 -13.493 6.254 1.00 0.00 C ATOM 243 O CYS A 17 55.773 -12.580 5.494 1.00 0.00 O ATOM 244 CB CYS A 17 54.361 -13.870 8.456 1.00 0.00 C ATOM 245 SG CYS A 17 54.430 -13.546 10.238 1.00 0.00 S ATOM 0 H CYS A 17 54.792 -11.335 7.819 1.00 0.00 H new ATOM 0 HA CYS A 17 56.518 -13.816 8.102 1.00 0.00 H new ATOM 0 HB2 CYS A 17 53.468 -13.414 8.030 1.00 0.00 H new ATOM 0 HB3 CYS A 17 54.288 -14.943 8.276 1.00 0.00 H new ATOM 250 N ARG A 18 55.125 -14.664 5.806 1.00 0.00 N ATOM 251 CA ARG A 18 54.997 -14.903 4.331 1.00 0.00 C ATOM 252 C ARG A 18 53.994 -13.911 3.734 1.00 0.00 C ATOM 253 O ARG A 18 52.797 -14.046 3.904 1.00 0.00 O ATOM 254 CB ARG A 18 54.482 -16.337 4.196 1.00 0.00 C ATOM 255 CG ARG A 18 55.553 -17.314 4.691 1.00 0.00 C ATOM 256 CD ARG A 18 55.550 -18.571 3.816 1.00 0.00 C ATOM 257 NE ARG A 18 54.238 -19.222 4.081 1.00 0.00 N ATOM 258 CZ ARG A 18 54.115 -20.515 3.954 1.00 0.00 C ATOM 259 NH1 ARG A 18 54.739 -21.314 4.776 1.00 0.00 N ATOM 260 NH2 ARG A 18 53.370 -21.010 3.004 1.00 0.00 N ATOM 0 H ARG A 18 54.893 -15.463 6.396 1.00 0.00 H new ATOM 0 HA ARG A 18 55.941 -14.767 3.804 1.00 0.00 H new ATOM 0 HB2 ARG A 18 53.566 -16.462 4.774 1.00 0.00 H new ATOM 0 HB3 ARG A 18 54.234 -16.549 3.156 1.00 0.00 H new ATOM 0 HG2 ARG A 18 56.534 -16.840 4.659 1.00 0.00 H new ATOM 0 HG3 ARG A 18 55.362 -17.582 5.730 1.00 0.00 H new ATOM 0 HD2 ARG A 18 55.659 -18.318 2.761 1.00 0.00 H new ATOM 0 HD3 ARG A 18 56.378 -19.232 4.072 1.00 0.00 H new ATOM 0 HE ARG A 18 53.436 -18.658 4.362 1.00 0.00 H new ATOM 0 HH11 ARG A 18 55.323 -20.928 5.518 1.00 0.00 H new ATOM 0 HH12 ARG A 18 54.643 -22.325 4.677 1.00 0.00 H new ATOM 0 HH21 ARG A 18 52.883 -20.386 2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 18 53.274 -22.021 2.905 1.00 0.00 H new ATOM 274 N ALA A 19 54.480 -12.904 3.055 1.00 0.00 N ATOM 275 CA ALA A 19 53.566 -11.882 2.464 1.00 0.00 C ATOM 276 C ALA A 19 53.053 -12.320 1.098 1.00 0.00 C ATOM 277 O ALA A 19 53.197 -11.628 0.110 1.00 0.00 O ATOM 278 CB ALA A 19 54.413 -10.633 2.330 1.00 0.00 C ATOM 0 H ALA A 19 55.473 -12.745 2.884 1.00 0.00 H new ATOM 0 HA ALA A 19 52.685 -11.726 3.086 1.00 0.00 H new ATOM 0 HB1 ALA A 19 53.813 -9.831 1.901 1.00 0.00 H new ATOM 0 HB2 ALA A 19 54.774 -10.331 3.313 1.00 0.00 H new ATOM 0 HB3 ALA A 19 55.263 -10.838 1.679 1.00 0.00 H new ATOM 284 N ASN A 20 52.439 -13.458 1.050 1.00 0.00 N ATOM 285 CA ASN A 20 51.880 -13.963 -0.238 1.00 0.00 C ATOM 286 C ASN A 20 50.418 -13.529 -0.401 1.00 0.00 C ATOM 287 O ASN A 20 49.655 -14.157 -1.111 1.00 0.00 O ATOM 288 CB ASN A 20 51.988 -15.483 -0.151 1.00 0.00 C ATOM 289 CG ASN A 20 51.865 -16.086 -1.552 1.00 0.00 C ATOM 290 OD1 ASN A 20 52.784 -16.007 -2.344 1.00 0.00 O ATOM 291 ND2 ASN A 20 50.759 -16.689 -1.894 1.00 0.00 N ATOM 0 H ASN A 20 52.295 -14.072 1.852 1.00 0.00 H new ATOM 0 HA ASN A 20 52.417 -13.567 -1.099 1.00 0.00 H new ATOM 0 HB2 ASN A 20 52.942 -15.765 0.295 1.00 0.00 H new ATOM 0 HB3 ASN A 20 51.204 -15.877 0.496 1.00 0.00 H new ATOM 0 HD21 ASN A 20 50.666 -17.094 -2.826 1.00 0.00 H new ATOM 0 HD22 ASN A 20 49.988 -16.755 -1.230 1.00 0.00 H new ATOM 298 N GLU A 21 50.022 -12.457 0.245 1.00 0.00 N ATOM 299 CA GLU A 21 48.613 -11.979 0.122 1.00 0.00 C ATOM 300 C GLU A 21 48.489 -11.057 -1.096 1.00 0.00 C ATOM 301 O GLU A 21 49.332 -11.073 -1.975 1.00 0.00 O ATOM 302 CB GLU A 21 48.347 -11.214 1.420 1.00 0.00 C ATOM 303 CG GLU A 21 48.268 -12.204 2.586 1.00 0.00 C ATOM 304 CD GLU A 21 47.280 -11.686 3.634 1.00 0.00 C ATOM 305 OE1 GLU A 21 46.297 -11.078 3.243 1.00 0.00 O ATOM 306 OE2 GLU A 21 47.523 -11.907 4.809 1.00 0.00 O ATOM 0 H GLU A 21 50.617 -11.894 0.852 1.00 0.00 H new ATOM 0 HA GLU A 21 47.898 -12.790 -0.019 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.141 -10.489 1.597 1.00 0.00 H new ATOM 0 HB3 GLU A 21 47.416 -10.653 1.341 1.00 0.00 H new ATOM 0 HG2 GLU A 21 47.951 -13.182 2.225 1.00 0.00 H new ATOM 0 HG3 GLU A 21 49.253 -12.334 3.033 1.00 0.00 H new ATOM 313 N ASN A 22 47.452 -10.259 -1.162 1.00 0.00 N ATOM 314 CA ASN A 22 47.285 -9.341 -2.327 1.00 0.00 C ATOM 315 C ASN A 22 46.387 -8.159 -1.946 1.00 0.00 C ATOM 316 O ASN A 22 45.261 -8.052 -2.396 1.00 0.00 O ATOM 317 CB ASN A 22 46.629 -10.193 -3.415 1.00 0.00 C ATOM 318 CG ASN A 22 47.691 -10.652 -4.416 1.00 0.00 C ATOM 319 OD1 ASN A 22 48.468 -9.855 -4.902 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.759 -11.913 -4.745 1.00 0.00 N ATOM 0 H ASN A 22 46.715 -10.205 -0.459 1.00 0.00 H new ATOM 0 HA ASN A 22 48.233 -8.920 -2.661 1.00 0.00 H new ATOM 0 HB2 ASN A 22 46.138 -11.057 -2.968 1.00 0.00 H new ATOM 0 HB3 ASN A 22 45.857 -9.617 -3.926 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.465 -12.229 -5.410 1.00 0.00 H new ATOM 0 HD22 ASN A 22 47.107 -12.582 -4.337 1.00 0.00 H new ATOM 327 N ARG A 23 46.883 -7.271 -1.123 1.00 0.00 N ATOM 328 CA ARG A 23 46.070 -6.087 -0.708 1.00 0.00 C ATOM 329 C ARG A 23 46.284 -4.931 -1.693 1.00 0.00 C ATOM 330 O ARG A 23 47.296 -4.861 -2.365 1.00 0.00 O ATOM 331 CB ARG A 23 46.592 -5.715 0.680 1.00 0.00 C ATOM 332 CG ARG A 23 46.259 -6.829 1.674 1.00 0.00 C ATOM 333 CD ARG A 23 44.755 -6.835 1.952 1.00 0.00 C ATOM 334 NE ARG A 23 44.578 -7.792 3.079 1.00 0.00 N ATOM 335 CZ ARG A 23 43.478 -8.487 3.177 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.143 -9.316 2.228 1.00 0.00 N ATOM 337 NH2 ARG A 23 42.712 -8.349 4.225 1.00 0.00 N ATOM 0 H ARG A 23 47.819 -7.315 -0.719 1.00 0.00 H new ATOM 0 HA ARG A 23 45.001 -6.301 -0.696 1.00 0.00 H new ATOM 0 HB2 ARG A 23 47.670 -5.558 0.643 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.144 -4.777 1.008 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.569 -7.794 1.272 1.00 0.00 H new ATOM 0 HG3 ARG A 23 46.810 -6.679 2.602 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.398 -5.840 2.219 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.192 -7.150 1.074 1.00 0.00 H new ATOM 0 HE ARG A 23 45.316 -7.904 3.774 1.00 0.00 H new ATOM 0 HH11 ARG A 23 43.741 -9.422 1.408 1.00 0.00 H new ATOM 0 HH12 ARG A 23 42.283 -9.859 2.305 1.00 0.00 H new ATOM 0 HH21 ARG A 23 42.974 -7.699 4.966 1.00 0.00 H new ATOM 0 HH22 ARG A 23 41.852 -8.892 4.303 1.00 0.00 H new ATOM 351 N PHE A 24 45.335 -4.032 -1.789 1.00 0.00 N ATOM 352 CA PHE A 24 45.476 -2.883 -2.738 1.00 0.00 C ATOM 353 C PHE A 24 46.146 -1.686 -2.050 1.00 0.00 C ATOM 354 O PHE A 24 45.622 -1.125 -1.107 1.00 0.00 O ATOM 355 CB PHE A 24 44.046 -2.540 -3.161 1.00 0.00 C ATOM 356 CG PHE A 24 43.723 -3.245 -4.459 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.450 -4.618 -4.463 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.701 -2.525 -5.660 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.155 -5.270 -5.667 1.00 0.00 C ATOM 360 CE2 PHE A 24 43.407 -3.177 -6.863 1.00 0.00 C ATOM 361 CZ PHE A 24 43.133 -4.549 -6.868 1.00 0.00 C ATOM 0 H PHE A 24 44.468 -4.044 -1.251 1.00 0.00 H new ATOM 0 HA PHE A 24 46.104 -3.134 -3.593 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.343 -2.843 -2.385 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.940 -1.462 -3.284 1.00 0.00 H new ATOM 0 HD1 PHE A 24 43.467 -5.175 -3.538 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.911 -1.466 -5.658 1.00 0.00 H new ATOM 0 HE1 PHE A 24 42.944 -6.329 -5.670 1.00 0.00 H new ATOM 0 HE2 PHE A 24 43.392 -2.620 -7.788 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.905 -5.052 -7.796 1.00 0.00 H new ATOM 371 N TYR A 25 47.304 -1.299 -2.524 1.00 0.00 N ATOM 372 CA TYR A 25 48.032 -0.141 -1.917 1.00 0.00 C ATOM 373 C TYR A 25 47.632 1.165 -2.620 1.00 0.00 C ATOM 374 O TYR A 25 47.757 1.289 -3.822 1.00 0.00 O ATOM 375 CB TYR A 25 49.517 -0.462 -2.152 1.00 0.00 C ATOM 376 CG TYR A 25 50.394 0.711 -1.771 1.00 0.00 C ATOM 377 CD1 TYR A 25 50.228 1.341 -0.532 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.374 1.165 -2.662 1.00 0.00 C ATOM 379 CE1 TYR A 25 51.041 2.424 -0.185 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.188 2.248 -2.314 1.00 0.00 C ATOM 381 CZ TYR A 25 52.021 2.878 -1.075 1.00 0.00 C ATOM 382 OH TYR A 25 52.824 3.946 -0.731 1.00 0.00 O ATOM 0 H TYR A 25 47.780 -1.739 -3.312 1.00 0.00 H new ATOM 0 HA TYR A 25 47.804 -0.003 -0.860 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.800 -1.337 -1.567 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.676 -0.714 -3.200 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.472 0.991 0.155 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.501 0.679 -3.618 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.913 2.911 0.771 1.00 0.00 H new ATOM 0 HE2 TYR A 25 52.945 2.598 -3.001 1.00 0.00 H new ATOM 0 HH TYR A 25 53.452 4.132 -1.460 1.00 0.00 H new ATOM 392 N TYR A 26 47.175 2.141 -1.873 1.00 0.00 N ATOM 393 CA TYR A 26 46.790 3.443 -2.496 1.00 0.00 C ATOM 394 C TYR A 26 48.044 4.257 -2.820 1.00 0.00 C ATOM 395 O TYR A 26 48.688 4.793 -1.937 1.00 0.00 O ATOM 396 CB TYR A 26 45.948 4.174 -1.450 1.00 0.00 C ATOM 397 CG TYR A 26 45.404 5.442 -2.066 1.00 0.00 C ATOM 398 CD1 TYR A 26 46.189 6.602 -2.092 1.00 0.00 C ATOM 399 CD2 TYR A 26 44.122 5.453 -2.627 1.00 0.00 C ATOM 400 CE1 TYR A 26 45.689 7.773 -2.675 1.00 0.00 C ATOM 401 CE2 TYR A 26 43.624 6.622 -3.212 1.00 0.00 C ATOM 402 CZ TYR A 26 44.407 7.782 -3.236 1.00 0.00 C ATOM 403 OH TYR A 26 43.915 8.934 -3.816 1.00 0.00 O ATOM 0 H TYR A 26 47.053 2.091 -0.862 1.00 0.00 H new ATOM 0 HA TYR A 26 46.239 3.298 -3.426 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.131 3.538 -1.111 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.553 4.409 -0.574 1.00 0.00 H new ATOM 0 HD1 TYR A 26 47.180 6.593 -1.662 1.00 0.00 H new ATOM 0 HD2 TYR A 26 43.517 4.559 -2.608 1.00 0.00 H new ATOM 0 HE1 TYR A 26 46.292 8.669 -2.692 1.00 0.00 H new ATOM 0 HE2 TYR A 26 42.635 6.630 -3.645 1.00 0.00 H new ATOM 0 HH TYR A 26 43.012 8.768 -4.158 1.00 0.00 H new ATOM 413 N ASN A 27 48.394 4.356 -4.077 1.00 0.00 N ATOM 414 CA ASN A 27 49.607 5.143 -4.456 1.00 0.00 C ATOM 415 C ASN A 27 49.314 6.639 -4.324 1.00 0.00 C ATOM 416 O ASN A 27 48.419 7.163 -4.960 1.00 0.00 O ATOM 417 CB ASN A 27 49.890 4.775 -5.914 1.00 0.00 C ATOM 418 CG ASN A 27 50.790 3.539 -5.962 1.00 0.00 C ATOM 419 OD1 ASN A 27 50.372 2.484 -6.394 1.00 0.00 O ATOM 420 ND2 ASN A 27 52.019 3.625 -5.531 1.00 0.00 N ATOM 0 H ASN A 27 47.894 3.927 -4.856 1.00 0.00 H new ATOM 0 HA ASN A 27 50.461 4.923 -3.816 1.00 0.00 H new ATOM 0 HB2 ASN A 27 48.955 4.578 -6.439 1.00 0.00 H new ATOM 0 HB3 ASN A 27 50.372 5.609 -6.424 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.627 2.807 -5.557 1.00 0.00 H new ATOM 0 HD22 ASN A 27 52.371 4.511 -5.168 1.00 0.00 H new ATOM 427 N SER A 28 50.061 7.326 -3.496 1.00 0.00 N ATOM 428 CA SER A 28 49.830 8.792 -3.309 1.00 0.00 C ATOM 429 C SER A 28 50.371 9.601 -4.500 1.00 0.00 C ATOM 430 O SER A 28 50.242 10.811 -4.535 1.00 0.00 O ATOM 431 CB SER A 28 50.589 9.157 -2.033 1.00 0.00 C ATOM 432 OG SER A 28 50.404 8.134 -1.063 1.00 0.00 O ATOM 0 H SER A 28 50.822 6.935 -2.941 1.00 0.00 H new ATOM 0 HA SER A 28 48.766 9.020 -3.240 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.650 9.279 -2.251 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.231 10.111 -1.644 1.00 0.00 H new ATOM 0 HG SER A 28 49.475 7.823 -1.089 1.00 0.00 H new ATOM 438 N VAL A 29 50.973 8.955 -5.474 1.00 0.00 N ATOM 439 CA VAL A 29 51.513 9.700 -6.650 1.00 0.00 C ATOM 440 C VAL A 29 50.514 9.639 -7.806 1.00 0.00 C ATOM 441 O VAL A 29 50.079 10.657 -8.315 1.00 0.00 O ATOM 442 CB VAL A 29 52.812 8.976 -7.026 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.476 9.692 -8.205 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.772 8.976 -5.831 1.00 0.00 C ATOM 0 H VAL A 29 51.112 7.945 -5.501 1.00 0.00 H new ATOM 0 HA VAL A 29 51.688 10.753 -6.428 1.00 0.00 H new ATOM 0 HB VAL A 29 52.579 7.948 -7.304 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.399 9.176 -8.471 1.00 0.00 H new ATOM 0 HG12 VAL A 29 52.800 9.690 -9.060 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.703 10.721 -7.925 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.693 8.460 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 29 54.001 10.003 -5.549 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.305 8.464 -4.989 1.00 0.00 H new ATOM 454 N ILE A 30 50.149 8.453 -8.222 1.00 0.00 N ATOM 455 CA ILE A 30 49.177 8.320 -9.350 1.00 0.00 C ATOM 456 C ILE A 30 47.738 8.262 -8.819 1.00 0.00 C ATOM 457 O ILE A 30 46.833 8.820 -9.411 1.00 0.00 O ATOM 458 CB ILE A 30 49.559 7.027 -10.093 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.437 5.804 -9.170 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.001 7.138 -10.592 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.669 4.528 -9.983 1.00 0.00 C ATOM 0 H ILE A 30 50.481 7.572 -7.830 1.00 0.00 H new ATOM 0 HA ILE A 30 49.220 9.177 -10.022 1.00 0.00 H new ATOM 0 HB ILE A 30 48.877 6.897 -10.933 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.165 5.871 -8.362 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.450 5.780 -8.709 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.275 6.224 -11.119 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.087 7.987 -11.270 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.670 7.282 -9.743 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.583 3.660 -9.330 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.924 4.461 -10.776 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.666 4.553 -10.423 1.00 0.00 H new ATOM 473 N GLY A 31 47.519 7.590 -7.717 1.00 0.00 N ATOM 474 CA GLY A 31 46.140 7.492 -7.153 1.00 0.00 C ATOM 475 C GLY A 31 45.626 6.069 -7.355 1.00 0.00 C ATOM 476 O GLY A 31 44.946 5.513 -6.514 1.00 0.00 O ATOM 0 H GLY A 31 48.239 7.104 -7.183 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.147 7.744 -6.092 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.479 8.205 -7.645 1.00 0.00 H new ATOM 480 N LYS A 32 45.964 5.477 -8.469 1.00 0.00 N ATOM 481 CA LYS A 32 45.522 4.076 -8.758 1.00 0.00 C ATOM 482 C LYS A 32 46.026 3.138 -7.643 1.00 0.00 C ATOM 483 O LYS A 32 47.196 3.131 -7.310 1.00 0.00 O ATOM 484 CB LYS A 32 46.146 3.772 -10.149 1.00 0.00 C ATOM 485 CG LYS A 32 46.582 2.304 -10.303 1.00 0.00 C ATOM 486 CD LYS A 32 45.352 1.393 -10.309 1.00 0.00 C ATOM 487 CE LYS A 32 45.794 -0.059 -10.505 1.00 0.00 C ATOM 488 NZ LYS A 32 45.930 -0.225 -11.980 1.00 0.00 N ATOM 0 H LYS A 32 46.532 5.906 -9.199 1.00 0.00 H new ATOM 0 HA LYS A 32 44.441 3.937 -8.781 1.00 0.00 H new ATOM 0 HB2 LYS A 32 45.422 4.014 -10.927 1.00 0.00 H new ATOM 0 HB3 LYS A 32 47.009 4.420 -10.304 1.00 0.00 H new ATOM 0 HG2 LYS A 32 47.143 2.178 -11.229 1.00 0.00 H new ATOM 0 HG3 LYS A 32 47.248 2.026 -9.486 1.00 0.00 H new ATOM 0 HD2 LYS A 32 44.806 1.495 -9.371 1.00 0.00 H new ATOM 0 HD3 LYS A 32 44.671 1.688 -11.108 1.00 0.00 H new ATOM 0 HE2 LYS A 32 46.738 -0.256 -9.997 1.00 0.00 H new ATOM 0 HE3 LYS A 32 45.060 -0.754 -10.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.741 -0.842 -12.187 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 45.063 -0.654 -12.363 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 46.081 0.704 -12.422 1.00 0.00 H new ATOM 502 N CYS A 33 45.146 2.350 -7.075 1.00 0.00 N ATOM 503 CA CYS A 33 45.567 1.412 -5.990 1.00 0.00 C ATOM 504 C CYS A 33 46.300 0.210 -6.597 1.00 0.00 C ATOM 505 O CYS A 33 45.716 -0.589 -7.305 1.00 0.00 O ATOM 506 CB CYS A 33 44.269 0.967 -5.314 1.00 0.00 C ATOM 507 SG CYS A 33 43.526 2.372 -4.443 1.00 0.00 S ATOM 0 H CYS A 33 44.155 2.316 -7.316 1.00 0.00 H new ATOM 0 HA CYS A 33 46.249 1.880 -5.279 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.574 0.579 -6.058 1.00 0.00 H new ATOM 0 HB3 CYS A 33 44.471 0.157 -4.613 1.00 0.00 H new ATOM 512 N ARG A 34 47.577 0.086 -6.334 1.00 0.00 N ATOM 513 CA ARG A 34 48.360 -1.054 -6.901 1.00 0.00 C ATOM 514 C ARG A 34 48.330 -2.267 -5.940 1.00 0.00 C ATOM 515 O ARG A 34 48.776 -2.145 -4.816 1.00 0.00 O ATOM 516 CB ARG A 34 49.788 -0.521 -7.028 1.00 0.00 C ATOM 517 CG ARG A 34 49.892 0.378 -8.262 1.00 0.00 C ATOM 518 CD ARG A 34 49.916 -0.486 -9.525 1.00 0.00 C ATOM 519 NE ARG A 34 51.319 -0.973 -9.633 1.00 0.00 N ATOM 520 CZ ARG A 34 51.563 -2.152 -10.138 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.571 -2.318 -11.432 1.00 0.00 N ATOM 522 NH2 ARG A 34 51.799 -3.163 -9.349 1.00 0.00 N ATOM 0 H ARG A 34 48.112 0.728 -5.749 1.00 0.00 H new ATOM 0 HA ARG A 34 47.954 -1.394 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 34 50.059 0.040 -6.133 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.491 -1.350 -7.109 1.00 0.00 H new ATOM 0 HG2 ARG A 34 49.047 1.066 -8.296 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.796 0.985 -8.207 1.00 0.00 H new ATOM 0 HD2 ARG A 34 49.215 -1.317 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 34 49.630 0.092 -10.404 1.00 0.00 H new ATOM 0 HE ARG A 34 52.089 -0.386 -9.313 1.00 0.00 H new ATOM 0 HH11 ARG A 34 51.387 -1.527 -12.049 1.00 0.00 H new ATOM 0 HH12 ARG A 34 51.762 -3.239 -11.827 1.00 0.00 H new ATOM 0 HH21 ARG A 34 51.793 -3.033 -8.337 1.00 0.00 H new ATOM 0 HH22 ARG A 34 51.990 -4.084 -9.743 1.00 0.00 H new ATOM 536 N PRO A 35 47.816 -3.411 -6.387 1.00 0.00 N ATOM 537 CA PRO A 35 47.774 -4.602 -5.502 1.00 0.00 C ATOM 538 C PRO A 35 49.193 -5.046 -5.130 1.00 0.00 C ATOM 539 O PRO A 35 50.008 -5.324 -5.990 1.00 0.00 O ATOM 540 CB PRO A 35 47.078 -5.655 -6.373 1.00 0.00 C ATOM 541 CG PRO A 35 46.744 -5.029 -7.739 1.00 0.00 C ATOM 542 CD PRO A 35 47.259 -3.585 -7.759 1.00 0.00 C ATOM 0 HA PRO A 35 47.261 -4.424 -4.557 1.00 0.00 H new ATOM 0 HB2 PRO A 35 47.724 -6.523 -6.504 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.168 -6.005 -5.886 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.205 -5.605 -8.541 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.668 -5.048 -7.910 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.020 -3.438 -8.526 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.459 -2.874 -7.963 1.00 0.00 H new ATOM 550 N PHE A 36 49.488 -5.119 -3.857 1.00 0.00 N ATOM 551 CA PHE A 36 50.851 -5.550 -3.426 1.00 0.00 C ATOM 552 C PHE A 36 50.750 -6.801 -2.540 1.00 0.00 C ATOM 553 O PHE A 36 49.767 -7.003 -1.853 1.00 0.00 O ATOM 554 CB PHE A 36 51.441 -4.340 -2.666 1.00 0.00 C ATOM 555 CG PHE A 36 50.866 -4.226 -1.264 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.583 -3.704 -1.070 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.626 -4.640 -0.163 1.00 0.00 C ATOM 558 CE1 PHE A 36 49.060 -3.593 0.223 1.00 0.00 C ATOM 559 CE2 PHE A 36 51.102 -4.532 1.130 1.00 0.00 C ATOM 560 CZ PHE A 36 49.819 -4.008 1.324 1.00 0.00 C ATOM 0 H PHE A 36 48.843 -4.899 -3.098 1.00 0.00 H new ATOM 0 HA PHE A 36 51.492 -5.826 -4.263 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.525 -4.439 -2.608 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.234 -3.425 -3.221 1.00 0.00 H new ATOM 0 HD1 PHE A 36 48.996 -3.386 -1.919 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.617 -5.043 -0.312 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.070 -3.187 0.372 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.688 -4.853 1.978 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.415 -3.924 2.322 1.00 0.00 H new ATOM 570 N LYS A 37 51.759 -7.634 -2.552 1.00 0.00 N ATOM 571 CA LYS A 37 51.718 -8.864 -1.705 1.00 0.00 C ATOM 572 C LYS A 37 51.806 -8.476 -0.228 1.00 0.00 C ATOM 573 O LYS A 37 52.881 -8.308 0.317 1.00 0.00 O ATOM 574 CB LYS A 37 52.933 -9.701 -2.132 1.00 0.00 C ATOM 575 CG LYS A 37 52.457 -10.994 -2.797 1.00 0.00 C ATOM 576 CD LYS A 37 53.642 -11.692 -3.466 1.00 0.00 C ATOM 577 CE LYS A 37 53.943 -11.015 -4.806 1.00 0.00 C ATOM 578 NZ LYS A 37 55.359 -11.366 -5.104 1.00 0.00 N ATOM 0 H LYS A 37 52.606 -7.517 -3.109 1.00 0.00 H new ATOM 0 HA LYS A 37 50.793 -9.426 -1.832 1.00 0.00 H new ATOM 0 HB2 LYS A 37 53.554 -9.132 -2.823 1.00 0.00 H new ATOM 0 HB3 LYS A 37 53.551 -9.932 -1.264 1.00 0.00 H new ATOM 0 HG2 LYS A 37 52.006 -11.652 -2.054 1.00 0.00 H new ATOM 0 HG3 LYS A 37 51.687 -10.773 -3.536 1.00 0.00 H new ATOM 0 HD2 LYS A 37 54.518 -11.646 -2.818 1.00 0.00 H new ATOM 0 HD3 LYS A 37 53.416 -12.747 -3.622 1.00 0.00 H new ATOM 0 HE2 LYS A 37 53.274 -11.373 -5.589 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.809 -9.935 -4.742 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.640 -10.938 -6.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.973 -11.006 -4.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 55.455 -12.400 -5.166 1.00 0.00 H new ATOM 592 N TYR A 38 50.678 -8.324 0.417 1.00 0.00 N ATOM 593 CA TYR A 38 50.676 -7.934 1.861 1.00 0.00 C ATOM 594 C TYR A 38 51.228 -9.072 2.727 1.00 0.00 C ATOM 595 O TYR A 38 51.255 -10.222 2.324 1.00 0.00 O ATOM 596 CB TYR A 38 49.204 -7.660 2.200 1.00 0.00 C ATOM 597 CG TYR A 38 49.070 -7.298 3.663 1.00 0.00 C ATOM 598 CD1 TYR A 38 49.696 -6.149 4.161 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.326 -8.117 4.520 1.00 0.00 C ATOM 600 CE1 TYR A 38 49.577 -5.819 5.516 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.208 -7.788 5.875 1.00 0.00 C ATOM 602 CZ TYR A 38 48.833 -6.639 6.373 1.00 0.00 C ATOM 603 OH TYR A 38 48.718 -6.315 7.710 1.00 0.00 O ATOM 0 H TYR A 38 49.754 -8.454 0.005 1.00 0.00 H new ATOM 0 HA TYR A 38 51.306 -7.065 2.050 1.00 0.00 H new ATOM 0 HB2 TYR A 38 48.824 -6.848 1.580 1.00 0.00 H new ATOM 0 HB3 TYR A 38 48.601 -8.540 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.271 -5.517 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 38 47.843 -9.003 4.135 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.059 -4.932 5.900 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.635 -8.421 6.536 1.00 0.00 H new ATOM 0 HH TYR A 38 48.106 -5.556 7.811 1.00 0.00 H new ATOM 613 N SER A 39 51.657 -8.744 3.922 1.00 0.00 N ATOM 614 CA SER A 39 52.202 -9.785 4.847 1.00 0.00 C ATOM 615 C SER A 39 51.112 -10.805 5.186 1.00 0.00 C ATOM 616 O SER A 39 50.036 -10.784 4.618 1.00 0.00 O ATOM 617 CB SER A 39 52.626 -9.022 6.105 1.00 0.00 C ATOM 618 OG SER A 39 51.520 -8.272 6.592 1.00 0.00 O ATOM 0 H SER A 39 51.653 -7.796 4.297 1.00 0.00 H new ATOM 0 HA SER A 39 53.034 -10.334 4.406 1.00 0.00 H new ATOM 0 HB2 SER A 39 52.972 -9.719 6.868 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.460 -8.358 5.878 1.00 0.00 H new ATOM 0 HG SER A 39 51.786 -7.782 7.398 1.00 0.00 H new ATOM 624 N GLY A 40 51.383 -11.693 6.108 1.00 0.00 N ATOM 625 CA GLY A 40 50.364 -12.714 6.493 1.00 0.00 C ATOM 626 C GLY A 40 50.361 -12.884 8.013 1.00 0.00 C ATOM 627 O GLY A 40 50.285 -13.986 8.521 1.00 0.00 O ATOM 0 H GLY A 40 52.268 -11.755 6.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.377 -12.406 6.149 1.00 0.00 H new ATOM 0 HA3 GLY A 40 50.587 -13.666 6.010 1.00 0.00 H new ATOM 631 N CYS A 41 50.442 -11.797 8.739 1.00 0.00 N ATOM 632 CA CYS A 41 50.444 -11.886 10.230 1.00 0.00 C ATOM 633 C CYS A 41 49.714 -10.684 10.838 1.00 0.00 C ATOM 634 O CYS A 41 48.612 -10.811 11.337 1.00 0.00 O ATOM 635 CB CYS A 41 51.924 -11.886 10.623 1.00 0.00 C ATOM 636 SG CYS A 41 52.496 -13.592 10.819 1.00 0.00 S ATOM 0 H CYS A 41 50.507 -10.851 8.362 1.00 0.00 H new ATOM 0 HA CYS A 41 49.929 -12.775 10.593 1.00 0.00 H new ATOM 0 HB2 CYS A 41 52.514 -11.379 9.860 1.00 0.00 H new ATOM 0 HB3 CYS A 41 52.064 -11.335 11.553 1.00 0.00 H new ATOM 641 N GLY A 42 50.315 -9.520 10.800 1.00 0.00 N ATOM 642 CA GLY A 42 49.650 -8.313 11.376 1.00 0.00 C ATOM 643 C GLY A 42 50.551 -7.088 11.193 1.00 0.00 C ATOM 644 O GLY A 42 51.146 -6.601 12.136 1.00 0.00 O ATOM 0 H GLY A 42 51.237 -9.355 10.395 1.00 0.00 H new ATOM 0 HA2 GLY A 42 48.690 -8.147 10.886 1.00 0.00 H new ATOM 0 HA3 GLY A 42 49.445 -8.470 12.435 1.00 0.00 H new ATOM 648 N GLY A 43 50.649 -6.588 9.987 1.00 0.00 N ATOM 649 CA GLY A 43 51.507 -5.392 9.734 1.00 0.00 C ATOM 650 C GLY A 43 50.769 -4.128 10.177 1.00 0.00 C ATOM 651 O GLY A 43 50.442 -3.966 11.338 1.00 0.00 O ATOM 0 H GLY A 43 50.171 -6.958 9.166 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.448 -5.485 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 43 51.756 -5.328 8.675 1.00 0.00 H new ATOM 655 N ASN A 44 50.509 -3.233 9.260 1.00 0.00 N ATOM 656 CA ASN A 44 49.793 -1.972 9.617 1.00 0.00 C ATOM 657 C ASN A 44 48.291 -2.237 9.762 1.00 0.00 C ATOM 658 O ASN A 44 47.867 -3.359 9.961 1.00 0.00 O ATOM 659 CB ASN A 44 50.059 -1.018 8.451 1.00 0.00 C ATOM 660 CG ASN A 44 50.193 0.413 8.974 1.00 0.00 C ATOM 661 OD1 ASN A 44 49.722 0.729 10.049 1.00 0.00 O ATOM 662 ND2 ASN A 44 50.820 1.303 8.252 1.00 0.00 N ATOM 0 H ASN A 44 50.763 -3.321 8.276 1.00 0.00 H new ATOM 0 HA ASN A 44 50.135 -1.560 10.566 1.00 0.00 H new ATOM 0 HB2 ASN A 44 50.970 -1.311 7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.245 -1.076 7.728 1.00 0.00 H new ATOM 0 HD21 ASN A 44 50.913 2.261 8.591 1.00 0.00 H new ATOM 0 HD22 ASN A 44 51.216 1.040 7.350 1.00 0.00 H new ATOM 669 N GLU A 45 47.488 -1.208 9.666 1.00 0.00 N ATOM 670 CA GLU A 45 46.011 -1.386 9.798 1.00 0.00 C ATOM 671 C GLU A 45 45.289 -0.658 8.662 1.00 0.00 C ATOM 672 O GLU A 45 44.204 -0.135 8.842 1.00 0.00 O ATOM 673 CB GLU A 45 45.652 -0.757 11.147 1.00 0.00 C ATOM 674 CG GLU A 45 46.400 -1.479 12.271 1.00 0.00 C ATOM 675 CD GLU A 45 45.975 -0.900 13.622 1.00 0.00 C ATOM 676 OE1 GLU A 45 46.111 0.299 13.798 1.00 0.00 O ATOM 677 OE2 GLU A 45 45.523 -1.666 14.457 1.00 0.00 O ATOM 0 H GLU A 45 47.793 -0.249 9.501 1.00 0.00 H new ATOM 0 HA GLU A 45 45.716 -2.434 9.746 1.00 0.00 H new ATOM 0 HB2 GLU A 45 45.912 0.301 11.146 1.00 0.00 H new ATOM 0 HB3 GLU A 45 44.577 -0.821 11.314 1.00 0.00 H new ATOM 0 HG2 GLU A 45 46.185 -2.547 12.237 1.00 0.00 H new ATOM 0 HG3 GLU A 45 47.476 -1.366 12.137 1.00 0.00 H new ATOM 684 N ASN A 46 45.885 -0.616 7.497 1.00 0.00 N ATOM 685 CA ASN A 46 45.239 0.083 6.346 1.00 0.00 C ATOM 686 C ASN A 46 45.346 -0.766 5.074 1.00 0.00 C ATOM 687 O ASN A 46 45.563 -0.253 3.993 1.00 0.00 O ATOM 688 CB ASN A 46 46.018 1.393 6.195 1.00 0.00 C ATOM 689 CG ASN A 46 47.489 1.102 5.898 1.00 0.00 C ATOM 690 OD1 ASN A 46 48.220 0.650 6.756 1.00 0.00 O ATOM 691 ND2 ASN A 46 47.957 1.350 4.708 1.00 0.00 N ATOM 0 H ASN A 46 46.792 -1.036 7.294 1.00 0.00 H new ATOM 0 HA ASN A 46 44.176 0.258 6.512 1.00 0.00 H new ATOM 0 HB2 ASN A 46 45.588 1.989 5.390 1.00 0.00 H new ATOM 0 HB3 ASN A 46 45.934 1.982 7.108 1.00 0.00 H new ATOM 0 HD21 ASN A 46 48.937 1.165 4.497 1.00 0.00 H new ATOM 0 HD22 ASN A 46 47.343 1.730 3.987 1.00 0.00 H new ATOM 698 N ASN A 47 45.197 -2.058 5.201 1.00 0.00 N ATOM 699 CA ASN A 47 45.293 -2.951 4.006 1.00 0.00 C ATOM 700 C ASN A 47 43.912 -3.126 3.370 1.00 0.00 C ATOM 701 O ASN A 47 42.986 -3.599 4.000 1.00 0.00 O ATOM 702 CB ASN A 47 45.815 -4.288 4.543 1.00 0.00 C ATOM 703 CG ASN A 47 47.149 -4.069 5.263 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.283 -4.385 6.429 1.00 0.00 O ATOM 705 ND2 ASN A 47 48.145 -3.530 4.615 1.00 0.00 N ATOM 0 H ASN A 47 45.012 -2.536 6.083 1.00 0.00 H new ATOM 0 HA ASN A 47 45.949 -2.543 3.237 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.088 -4.725 5.228 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.945 -4.995 3.723 1.00 0.00 H new ATOM 0 HD21 ASN A 47 49.036 -3.374 5.087 1.00 0.00 H new ATOM 0 HD22 ASN A 47 48.033 -3.265 3.637 1.00 0.00 H new ATOM 712 N PHE A 48 43.771 -2.742 2.128 1.00 0.00 N ATOM 713 CA PHE A 48 42.452 -2.875 1.441 1.00 0.00 C ATOM 714 C PHE A 48 42.344 -4.242 0.760 1.00 0.00 C ATOM 715 O PHE A 48 43.020 -4.515 -0.214 1.00 0.00 O ATOM 716 CB PHE A 48 42.434 -1.755 0.402 1.00 0.00 C ATOM 717 CG PHE A 48 42.425 -0.419 1.107 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.412 -0.118 2.024 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.430 0.520 0.840 1.00 0.00 C ATOM 720 CE1 PHE A 48 41.404 1.120 2.678 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.422 1.758 1.493 1.00 0.00 C ATOM 722 CZ PHE A 48 42.408 2.059 2.412 1.00 0.00 C ATOM 0 H PHE A 48 44.515 -2.341 1.558 1.00 0.00 H new ATOM 0 HA PHE A 48 41.615 -2.801 2.135 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.307 -1.831 -0.246 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.555 -1.849 -0.235 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.636 -0.841 2.227 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.211 0.289 0.130 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.623 1.351 3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 48 44.197 2.481 1.288 1.00 0.00 H new ATOM 0 HZ PHE A 48 42.401 3.015 2.915 1.00 0.00 H new ATOM 732 N THR A 49 41.499 -5.102 1.271 1.00 0.00 N ATOM 733 CA THR A 49 41.339 -6.458 0.662 1.00 0.00 C ATOM 734 C THR A 49 40.892 -6.343 -0.800 1.00 0.00 C ATOM 735 O THR A 49 41.273 -7.140 -1.638 1.00 0.00 O ATOM 736 CB THR A 49 40.266 -7.161 1.506 1.00 0.00 C ATOM 737 OG1 THR A 49 40.055 -8.472 1.001 1.00 0.00 O ATOM 738 CG2 THR A 49 38.953 -6.375 1.452 1.00 0.00 C ATOM 0 H THR A 49 40.912 -4.923 2.086 1.00 0.00 H new ATOM 0 HA THR A 49 42.276 -7.014 0.658 1.00 0.00 H new ATOM 0 HB THR A 49 40.604 -7.214 2.541 1.00 0.00 H new ATOM 0 HG1 THR A 49 39.372 -8.924 1.539 1.00 0.00 H new ATOM 0 HG21 THR A 49 38.200 -6.883 2.054 1.00 0.00 H new ATOM 0 HG22 THR A 49 39.114 -5.371 1.844 1.00 0.00 H new ATOM 0 HG23 THR A 49 38.609 -6.311 0.420 1.00 0.00 H new ATOM 746 N SER A 50 40.087 -5.357 -1.108 1.00 0.00 N ATOM 747 CA SER A 50 39.610 -5.183 -2.514 1.00 0.00 C ATOM 748 C SER A 50 39.880 -3.755 -2.994 1.00 0.00 C ATOM 749 O SER A 50 40.321 -2.910 -2.237 1.00 0.00 O ATOM 750 CB SER A 50 38.107 -5.453 -2.455 1.00 0.00 C ATOM 751 OG SER A 50 37.882 -6.857 -2.462 1.00 0.00 O ATOM 0 H SER A 50 39.739 -4.664 -0.445 1.00 0.00 H new ATOM 0 HA SER A 50 40.119 -5.851 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 50 37.681 -5.009 -1.555 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.609 -4.989 -3.306 1.00 0.00 H new ATOM 0 HG SER A 50 36.919 -7.034 -2.422 1.00 0.00 H new ATOM 757 N LYS A 51 39.618 -3.481 -4.249 1.00 0.00 N ATOM 758 CA LYS A 51 39.857 -2.107 -4.786 1.00 0.00 C ATOM 759 C LYS A 51 38.702 -1.179 -4.396 1.00 0.00 C ATOM 760 O LYS A 51 38.894 -0.001 -4.166 1.00 0.00 O ATOM 761 CB LYS A 51 39.923 -2.274 -6.305 1.00 0.00 C ATOM 762 CG LYS A 51 40.236 -0.923 -6.953 1.00 0.00 C ATOM 763 CD LYS A 51 40.259 -1.076 -8.475 1.00 0.00 C ATOM 764 CE LYS A 51 40.555 0.281 -9.118 1.00 0.00 C ATOM 765 NZ LYS A 51 39.773 0.286 -10.386 1.00 0.00 N ATOM 0 H LYS A 51 39.249 -4.151 -4.924 1.00 0.00 H new ATOM 0 HA LYS A 51 40.770 -1.664 -4.388 1.00 0.00 H new ATOM 0 HB2 LYS A 51 40.690 -3.002 -6.569 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.975 -2.659 -6.681 1.00 0.00 H new ATOM 0 HG2 LYS A 51 39.486 -0.187 -6.663 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.199 -0.554 -6.600 1.00 0.00 H new ATOM 0 HD2 LYS A 51 41.017 -1.802 -8.767 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.300 -1.457 -8.828 1.00 0.00 H new ATOM 0 HE2 LYS A 51 40.254 1.101 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 51 41.621 0.402 -9.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 39.925 1.186 -10.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 40.086 -0.501 -10.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 38.762 0.176 -10.170 1.00 0.00 H new ATOM 779 N GLN A 52 37.504 -1.707 -4.319 1.00 0.00 N ATOM 780 CA GLN A 52 36.328 -0.859 -3.940 1.00 0.00 C ATOM 781 C GLN A 52 36.562 -0.215 -2.569 1.00 0.00 C ATOM 782 O GLN A 52 36.050 0.850 -2.277 1.00 0.00 O ATOM 783 CB GLN A 52 35.137 -1.819 -3.886 1.00 0.00 C ATOM 784 CG GLN A 52 34.425 -1.834 -5.243 1.00 0.00 C ATOM 785 CD GLN A 52 33.254 -0.846 -5.230 1.00 0.00 C ATOM 786 OE1 GLN A 52 32.833 -0.388 -4.186 1.00 0.00 O ATOM 787 NE2 GLN A 52 32.701 -0.497 -6.360 1.00 0.00 N ATOM 0 H GLN A 52 37.289 -2.687 -4.502 1.00 0.00 H new ATOM 0 HA GLN A 52 36.161 -0.049 -4.650 1.00 0.00 H new ATOM 0 HB2 GLN A 52 35.478 -2.823 -3.632 1.00 0.00 H new ATOM 0 HB3 GLN A 52 34.444 -1.510 -3.104 1.00 0.00 H new ATOM 0 HG2 GLN A 52 35.126 -1.569 -6.034 1.00 0.00 H new ATOM 0 HG3 GLN A 52 34.062 -2.838 -5.462 1.00 0.00 H new ATOM 0 HE21 GLN A 52 33.051 -0.879 -7.239 1.00 0.00 H new ATOM 0 HE22 GLN A 52 31.919 0.158 -6.364 1.00 0.00 H new ATOM 796 N GLU A 53 37.338 -0.856 -1.730 1.00 0.00 N ATOM 797 CA GLU A 53 37.617 -0.291 -0.376 1.00 0.00 C ATOM 798 C GLU A 53 38.752 0.734 -0.459 1.00 0.00 C ATOM 799 O GLU A 53 38.735 1.744 0.216 1.00 0.00 O ATOM 800 CB GLU A 53 38.031 -1.491 0.476 1.00 0.00 C ATOM 801 CG GLU A 53 36.785 -2.128 1.098 1.00 0.00 C ATOM 802 CD GLU A 53 37.134 -2.695 2.474 1.00 0.00 C ATOM 803 OE1 GLU A 53 37.426 -1.908 3.360 1.00 0.00 O ATOM 804 OE2 GLU A 53 37.105 -3.906 2.619 1.00 0.00 O ATOM 0 H GLU A 53 37.791 -1.749 -1.926 1.00 0.00 H new ATOM 0 HA GLU A 53 36.755 0.225 0.046 1.00 0.00 H new ATOM 0 HB2 GLU A 53 38.559 -2.222 -0.137 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.720 -1.175 1.259 1.00 0.00 H new ATOM 0 HG2 GLU A 53 35.992 -1.386 1.189 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.408 -2.920 0.452 1.00 0.00 H new ATOM 811 N CYS A 54 39.733 0.485 -1.294 1.00 0.00 N ATOM 812 CA CYS A 54 40.870 1.450 -1.433 1.00 0.00 C ATOM 813 C CYS A 54 40.342 2.805 -1.910 1.00 0.00 C ATOM 814 O CYS A 54 40.739 3.848 -1.423 1.00 0.00 O ATOM 815 CB CYS A 54 41.795 0.835 -2.489 1.00 0.00 C ATOM 816 SG CYS A 54 43.361 1.742 -2.529 1.00 0.00 S ATOM 0 H CYS A 54 39.795 -0.344 -1.885 1.00 0.00 H new ATOM 0 HA CYS A 54 41.390 1.616 -0.490 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.977 -0.215 -2.260 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.318 0.869 -3.469 1.00 0.00 H new ATOM 821 N LEU A 55 39.442 2.788 -2.858 1.00 0.00 N ATOM 822 CA LEU A 55 38.867 4.064 -3.383 1.00 0.00 C ATOM 823 C LEU A 55 37.912 4.673 -2.353 1.00 0.00 C ATOM 824 O LEU A 55 38.090 5.791 -1.913 1.00 0.00 O ATOM 825 CB LEU A 55 38.098 3.663 -4.648 1.00 0.00 C ATOM 826 CG LEU A 55 39.027 3.670 -5.872 1.00 0.00 C ATOM 827 CD1 LEU A 55 39.575 5.082 -6.099 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.193 2.700 -5.652 1.00 0.00 C ATOM 0 H LEU A 55 39.078 1.941 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 55 39.636 4.809 -3.590 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.666 2.671 -4.518 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.269 4.352 -4.810 1.00 0.00 H new ATOM 0 HG LEU A 55 38.459 3.356 -6.747 1.00 0.00 H new ATOM 0 HD11 LEU A 55 40.233 5.082 -6.968 1.00 0.00 H new ATOM 0 HD12 LEU A 55 38.747 5.770 -6.271 1.00 0.00 H new ATOM 0 HD13 LEU A 55 40.135 5.401 -5.220 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.846 2.712 -6.525 1.00 0.00 H new ATOM 0 HD22 LEU A 55 40.759 3.005 -4.772 1.00 0.00 H new ATOM 0 HD23 LEU A 55 39.805 1.692 -5.503 1.00 0.00 H new ATOM 840 N ARG A 56 36.901 3.940 -1.964 1.00 0.00 N ATOM 841 CA ARG A 56 35.923 4.468 -0.959 1.00 0.00 C ATOM 842 C ARG A 56 36.636 4.882 0.337 1.00 0.00 C ATOM 843 O ARG A 56 36.104 5.641 1.126 1.00 0.00 O ATOM 844 CB ARG A 56 34.955 3.313 -0.689 1.00 0.00 C ATOM 845 CG ARG A 56 33.874 3.287 -1.772 1.00 0.00 C ATOM 846 CD ARG A 56 33.194 1.917 -1.782 1.00 0.00 C ATOM 847 NE ARG A 56 32.036 2.056 -0.856 1.00 0.00 N ATOM 848 CZ ARG A 56 32.140 1.660 0.383 1.00 0.00 C ATOM 849 NH1 ARG A 56 32.536 0.445 0.649 1.00 0.00 N ATOM 850 NH2 ARG A 56 31.844 2.477 1.356 1.00 0.00 N ATOM 0 H ARG A 56 36.708 2.996 -2.298 1.00 0.00 H new ATOM 0 HA ARG A 56 35.409 5.355 -1.329 1.00 0.00 H new ATOM 0 HB2 ARG A 56 35.496 2.367 -0.678 1.00 0.00 H new ATOM 0 HB3 ARG A 56 34.497 3.430 0.293 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.138 4.069 -1.585 1.00 0.00 H new ATOM 0 HG3 ARG A 56 34.316 3.492 -2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 56 32.867 1.646 -2.786 1.00 0.00 H new ATOM 0 HD3 ARG A 56 33.876 1.135 -1.447 1.00 0.00 H new ATOM 0 HE ARG A 56 31.161 2.461 -1.190 1.00 0.00 H new ATOM 0 HH11 ARG A 56 32.764 -0.195 -0.112 1.00 0.00 H new ATOM 0 HH12 ARG A 56 32.617 0.136 1.618 1.00 0.00 H new ATOM 0 HH21 ARG A 56 31.531 3.425 1.148 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.925 2.167 2.324 1.00 0.00 H new ATOM 864 N ALA A 57 37.827 4.385 0.565 1.00 0.00 N ATOM 865 CA ALA A 57 38.571 4.740 1.811 1.00 0.00 C ATOM 866 C ALA A 57 39.252 6.105 1.681 1.00 0.00 C ATOM 867 O ALA A 57 38.941 7.034 2.404 1.00 0.00 O ATOM 868 CB ALA A 57 39.631 3.649 1.965 1.00 0.00 C ATOM 0 H ALA A 57 38.317 3.746 -0.062 1.00 0.00 H new ATOM 0 HA ALA A 57 37.900 4.802 2.668 1.00 0.00 H new ATOM 0 HB1 ALA A 57 40.222 3.839 2.861 1.00 0.00 H new ATOM 0 HB2 ALA A 57 39.144 2.678 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 57 40.285 3.651 1.093 1.00 0.00 H new ATOM 874 N CYS A 58 40.197 6.225 0.779 1.00 0.00 N ATOM 875 CA CYS A 58 40.920 7.526 0.624 1.00 0.00 C ATOM 876 C CYS A 58 40.241 8.428 -0.419 1.00 0.00 C ATOM 877 O CYS A 58 40.045 9.606 -0.184 1.00 0.00 O ATOM 878 CB CYS A 58 42.349 7.152 0.191 1.00 0.00 C ATOM 879 SG CYS A 58 43.558 7.952 1.291 1.00 0.00 S ATOM 0 H CYS A 58 40.497 5.483 0.147 1.00 0.00 H new ATOM 0 HA CYS A 58 40.916 8.096 1.553 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.476 6.070 0.222 1.00 0.00 H new ATOM 0 HB3 CYS A 58 42.520 7.464 -0.839 1.00 0.00 H new ATOM 884 N LYS A 59 39.885 7.894 -1.564 1.00 0.00 N ATOM 885 CA LYS A 59 39.224 8.741 -2.611 1.00 0.00 C ATOM 886 C LYS A 59 37.873 9.257 -2.099 1.00 0.00 C ATOM 887 O LYS A 59 37.613 10.446 -2.110 1.00 0.00 O ATOM 888 CB LYS A 59 39.032 7.824 -3.821 1.00 0.00 C ATOM 889 CG LYS A 59 38.726 8.669 -5.059 1.00 0.00 C ATOM 890 CD LYS A 59 40.021 9.270 -5.603 1.00 0.00 C ATOM 891 CE LYS A 59 39.694 10.528 -6.406 1.00 0.00 C ATOM 892 NZ LYS A 59 40.819 10.673 -7.370 1.00 0.00 N ATOM 0 H LYS A 59 40.022 6.916 -1.818 1.00 0.00 H new ATOM 0 HA LYS A 59 39.822 9.616 -2.866 1.00 0.00 H new ATOM 0 HB2 LYS A 59 39.931 7.230 -3.986 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.217 7.124 -3.635 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.250 8.054 -5.823 1.00 0.00 H new ATOM 0 HG3 LYS A 59 38.023 9.463 -4.805 1.00 0.00 H new ATOM 0 HD2 LYS A 59 40.696 9.513 -4.782 1.00 0.00 H new ATOM 0 HD3 LYS A 59 40.535 8.545 -6.234 1.00 0.00 H new ATOM 0 HE2 LYS A 59 38.740 10.429 -6.924 1.00 0.00 H new ATOM 0 HE3 LYS A 59 39.615 11.401 -5.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 40.666 11.517 -7.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 41.713 10.773 -6.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 40.866 9.831 -7.978 1.00 0.00 H new ATOM 906 N LYS A 60 37.018 8.374 -1.643 1.00 0.00 N ATOM 907 CA LYS A 60 35.688 8.814 -1.121 1.00 0.00 C ATOM 908 C LYS A 60 35.722 8.875 0.411 1.00 0.00 C ATOM 909 O LYS A 60 34.717 8.689 1.071 1.00 0.00 O ATOM 910 CB LYS A 60 34.700 7.749 -1.595 1.00 0.00 C ATOM 911 CG LYS A 60 33.356 8.404 -1.928 1.00 0.00 C ATOM 912 CD LYS A 60 32.539 7.478 -2.840 1.00 0.00 C ATOM 913 CE LYS A 60 31.093 7.405 -2.342 1.00 0.00 C ATOM 914 NZ LYS A 60 30.564 6.122 -2.883 1.00 0.00 N ATOM 0 H LYS A 60 37.184 7.368 -1.610 1.00 0.00 H new ATOM 0 HA LYS A 60 35.411 9.807 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 60 35.094 7.238 -2.474 1.00 0.00 H new ATOM 0 HB3 LYS A 60 34.566 6.993 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 60 32.803 8.607 -1.011 1.00 0.00 H new ATOM 0 HG3 LYS A 60 33.520 9.363 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 60 32.562 7.849 -3.865 1.00 0.00 H new ATOM 0 HD3 LYS A 60 32.980 6.481 -2.851 1.00 0.00 H new ATOM 0 HE2 LYS A 60 31.049 7.422 -1.253 1.00 0.00 H new ATOM 0 HE3 LYS A 60 30.509 8.254 -2.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 29.575 6.000 -2.584 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 30.612 6.137 -3.922 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 31.135 5.331 -2.522 1.00 0.00 H new ATOM 928 N GLY A 61 36.875 9.133 0.974 1.00 0.00 N ATOM 929 CA GLY A 61 36.994 9.208 2.460 1.00 0.00 C ATOM 930 C GLY A 61 36.442 10.546 2.950 1.00 0.00 C ATOM 931 O GLY A 61 35.426 10.973 2.426 1.00 0.00 O ATOM 932 OXT GLY A 61 37.044 11.121 3.841 1.00 0.00 O ATOM 0 H GLY A 61 37.743 9.296 0.464 1.00 0.00 H new ATOM 0 HA2 GLY A 61 36.446 8.386 2.921 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.037 9.102 2.757 1.00 0.00 H new TER 936 GLY A 61