USER MOD reduce.3.24.130724 H: found=0, std=0, add=453, rem=0, adj=10 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 49 THR OG1 : rot 180:sc= 0.0146 USER MOD Set 1.2: A 50 SER OG : rot 180:sc= -0.358 USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 GLU N :NH3+ 143:sc= 1.22 (180deg=-1.59) USER MOD Single : A 3 HIS : no HD1:sc= -0.199 X(o=-0.2,f=-0.35) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 THR OG1 : rot 125:sc= -0.453 USER MOD Single : A 20 ASN : amide:sc= -0.0153 K(o=-0.015,f=-1.4!) USER MOD Single : A 22 ASN : amide:sc= -0.0237 X(o=-0.024,f=-0.48) USER MOD Single : A 25 TYR OH : rot 180:sc= -0.481 USER MOD Single : A 27 ASN : amide:sc= -0.0926 K(o=-0.093,f=-2.5!) USER MOD Single : A 28 SER OG : rot -58:sc= -2.82! USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 TYR OH : rot 180:sc= -0.986 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN : amide:sc= -0.431 K(o=-0.43,f=-2.7!) USER MOD Single : A 46 ASN : amide:sc= -2.86 K(o=-2.9,f=-4.5!) USER MOD Single : A 47 ASN : amide:sc= -5.51 K(o=-5.5,f=-7.4!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 52.092 22.161 6.772 1.00 0.00 N ATOM 2 CA GLU A 1 52.612 20.768 6.645 1.00 0.00 C ATOM 3 C GLU A 1 51.461 19.792 6.385 1.00 0.00 C ATOM 4 O GLU A 1 50.303 20.129 6.548 1.00 0.00 O ATOM 5 CB GLU A 1 53.290 20.463 7.988 1.00 0.00 C ATOM 6 CG GLU A 1 52.284 20.623 9.137 1.00 0.00 C ATOM 7 CD GLU A 1 52.521 21.957 9.847 1.00 0.00 C ATOM 8 OE1 GLU A 1 52.858 22.914 9.171 1.00 0.00 O ATOM 9 OE2 GLU A 1 52.360 21.998 11.056 1.00 0.00 O ATOM 0 H1 GLU A 1 52.634 22.669 7.500 1.00 0.00 H new ATOM 0 H2 GLU A 1 52.190 22.653 5.861 1.00 0.00 H new ATOM 0 H3 GLU A 1 51.089 22.134 7.044 1.00 0.00 H new ATOM 0 HA GLU A 1 53.307 20.665 5.811 1.00 0.00 H new ATOM 0 HB2 GLU A 1 53.687 19.448 7.981 1.00 0.00 H new ATOM 0 HB3 GLU A 1 54.135 21.135 8.138 1.00 0.00 H new ATOM 0 HG2 GLU A 1 51.266 20.582 8.750 1.00 0.00 H new ATOM 0 HG3 GLU A 1 52.390 19.800 9.844 1.00 0.00 H new ATOM 18 N PHE A 2 51.775 18.585 5.986 1.00 0.00 N ATOM 19 CA PHE A 2 50.705 17.578 5.716 1.00 0.00 C ATOM 20 C PHE A 2 50.177 17.004 7.032 1.00 0.00 C ATOM 21 O PHE A 2 50.776 16.122 7.619 1.00 0.00 O ATOM 22 CB PHE A 2 51.386 16.486 4.888 1.00 0.00 C ATOM 23 CG PHE A 2 51.702 17.022 3.512 1.00 0.00 C ATOM 24 CD1 PHE A 2 50.716 17.024 2.518 1.00 0.00 C ATOM 25 CD2 PHE A 2 52.981 17.519 3.231 1.00 0.00 C ATOM 26 CE1 PHE A 2 51.009 17.522 1.243 1.00 0.00 C ATOM 27 CE2 PHE A 2 53.272 18.019 1.956 1.00 0.00 C ATOM 28 CZ PHE A 2 52.287 18.020 0.962 1.00 0.00 C ATOM 0 H PHE A 2 52.728 18.254 5.836 1.00 0.00 H new ATOM 0 HA PHE A 2 49.852 18.011 5.194 1.00 0.00 H new ATOM 0 HB2 PHE A 2 52.301 16.158 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 2 50.736 15.615 4.810 1.00 0.00 H new ATOM 0 HD1 PHE A 2 49.730 16.641 2.735 1.00 0.00 H new ATOM 0 HD2 PHE A 2 53.742 17.517 3.997 1.00 0.00 H new ATOM 0 HE1 PHE A 2 50.249 17.522 0.476 1.00 0.00 H new ATOM 0 HE2 PHE A 2 54.257 18.404 1.739 1.00 0.00 H new ATOM 0 HZ PHE A 2 52.513 18.405 -0.022 1.00 0.00 H new ATOM 38 N HIS A 3 49.060 17.502 7.499 1.00 0.00 N ATOM 39 CA HIS A 3 48.485 16.995 8.781 1.00 0.00 C ATOM 40 C HIS A 3 47.248 16.136 8.510 1.00 0.00 C ATOM 41 O HIS A 3 46.292 16.156 9.264 1.00 0.00 O ATOM 42 CB HIS A 3 48.104 18.251 9.566 1.00 0.00 C ATOM 43 CG HIS A 3 47.947 17.905 11.021 1.00 0.00 C ATOM 44 ND1 HIS A 3 48.902 17.178 11.714 1.00 0.00 N ATOM 45 CD2 HIS A 3 46.951 18.177 11.926 1.00 0.00 C ATOM 46 CE1 HIS A 3 48.465 17.038 12.978 1.00 0.00 C ATOM 47 NE2 HIS A 3 47.281 17.628 13.162 1.00 0.00 N ATOM 0 H HIS A 3 48.521 18.240 7.046 1.00 0.00 H new ATOM 0 HA HIS A 3 49.189 16.368 9.328 1.00 0.00 H new ATOM 0 HB2 HIS A 3 48.871 19.016 9.444 1.00 0.00 H new ATOM 0 HB3 HIS A 3 47.174 18.667 9.178 1.00 0.00 H new ATOM 0 HD2 HIS A 3 46.050 18.732 11.712 1.00 0.00 H new ATOM 0 HE1 HIS A 3 49.006 16.512 13.751 1.00 0.00 H new ATOM 0 HE2 HIS A 3 46.736 17.668 14.023 1.00 0.00 H new ATOM 55 N GLY A 4 47.260 15.377 7.442 1.00 0.00 N ATOM 56 CA GLY A 4 46.087 14.509 7.119 1.00 0.00 C ATOM 57 C GLY A 4 46.145 13.232 7.976 1.00 0.00 C ATOM 58 O GLY A 4 46.880 13.192 8.943 1.00 0.00 O ATOM 0 H GLY A 4 48.033 15.322 6.779 1.00 0.00 H new ATOM 0 HA2 GLY A 4 45.159 15.047 7.311 1.00 0.00 H new ATOM 0 HA3 GLY A 4 46.093 14.250 6.060 1.00 0.00 H new ATOM 62 N PRO A 5 45.377 12.215 7.612 1.00 0.00 N ATOM 63 CA PRO A 5 45.390 10.954 8.396 1.00 0.00 C ATOM 64 C PRO A 5 46.791 10.332 8.380 1.00 0.00 C ATOM 65 O PRO A 5 47.671 10.792 7.676 1.00 0.00 O ATOM 66 CB PRO A 5 44.376 10.078 7.654 1.00 0.00 C ATOM 67 CG PRO A 5 43.808 10.873 6.462 1.00 0.00 C ATOM 68 CD PRO A 5 44.471 12.256 6.429 1.00 0.00 C ATOM 0 HA PRO A 5 45.140 11.086 9.449 1.00 0.00 H new ATOM 0 HB2 PRO A 5 44.853 9.163 7.304 1.00 0.00 H new ATOM 0 HB3 PRO A 5 43.571 9.780 8.326 1.00 0.00 H new ATOM 0 HG2 PRO A 5 43.997 10.341 5.529 1.00 0.00 H new ATOM 0 HG3 PRO A 5 42.727 10.975 6.557 1.00 0.00 H new ATOM 0 HD2 PRO A 5 45.022 12.419 5.503 1.00 0.00 H new ATOM 0 HD3 PRO A 5 43.738 13.058 6.509 1.00 0.00 H new ATOM 76 N SER A 6 47.008 9.302 9.161 1.00 0.00 N ATOM 77 CA SER A 6 48.360 8.664 9.204 1.00 0.00 C ATOM 78 C SER A 6 48.305 7.219 8.691 1.00 0.00 C ATOM 79 O SER A 6 48.941 6.336 9.236 1.00 0.00 O ATOM 80 CB SER A 6 48.758 8.698 10.681 1.00 0.00 C ATOM 81 OG SER A 6 48.615 10.026 11.174 1.00 0.00 O ATOM 0 H SER A 6 46.309 8.876 9.769 1.00 0.00 H new ATOM 0 HA SER A 6 49.077 9.184 8.569 1.00 0.00 H new ATOM 0 HB2 SER A 6 48.131 8.015 11.255 1.00 0.00 H new ATOM 0 HB3 SER A 6 49.788 8.362 10.800 1.00 0.00 H new ATOM 0 HG SER A 6 48.867 10.052 12.121 1.00 0.00 H new ATOM 87 N TRP A 7 47.558 6.977 7.644 1.00 0.00 N ATOM 88 CA TRP A 7 47.467 5.591 7.085 1.00 0.00 C ATOM 89 C TRP A 7 46.967 5.610 5.629 1.00 0.00 C ATOM 90 O TRP A 7 46.478 4.618 5.127 1.00 0.00 O ATOM 91 CB TRP A 7 46.485 4.843 7.997 1.00 0.00 C ATOM 92 CG TRP A 7 45.169 5.551 8.020 1.00 0.00 C ATOM 93 CD1 TRP A 7 44.847 6.565 8.854 1.00 0.00 C ATOM 94 CD2 TRP A 7 44.000 5.316 7.188 1.00 0.00 C ATOM 95 NE1 TRP A 7 43.552 6.971 8.583 1.00 0.00 N ATOM 96 CE2 TRP A 7 42.989 6.229 7.564 1.00 0.00 C ATOM 97 CE3 TRP A 7 43.724 4.405 6.153 1.00 0.00 C ATOM 98 CZ2 TRP A 7 41.744 6.241 6.933 1.00 0.00 C ATOM 99 CZ3 TRP A 7 42.474 4.413 5.516 1.00 0.00 C ATOM 100 CH2 TRP A 7 41.486 5.329 5.905 1.00 0.00 C ATOM 0 H TRP A 7 47.006 7.679 7.151 1.00 0.00 H new ATOM 0 HA TRP A 7 48.442 5.105 7.061 1.00 0.00 H new ATOM 0 HB2 TRP A 7 46.352 3.821 7.641 1.00 0.00 H new ATOM 0 HB3 TRP A 7 46.890 4.779 9.007 1.00 0.00 H new ATOM 0 HD1 TRP A 7 45.494 6.989 9.608 1.00 0.00 H new ATOM 0 HE1 TRP A 7 43.073 7.725 9.075 1.00 0.00 H new ATOM 0 HE3 TRP A 7 44.478 3.695 5.847 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 40.987 6.949 7.236 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 42.272 3.710 4.722 1.00 0.00 H new ATOM 0 HH2 TRP A 7 40.526 5.330 5.411 1.00 0.00 H new ATOM 111 N CYS A 8 47.108 6.718 4.941 1.00 0.00 N ATOM 112 CA CYS A 8 46.665 6.781 3.510 1.00 0.00 C ATOM 113 C CYS A 8 47.892 6.951 2.606 1.00 0.00 C ATOM 114 O CYS A 8 47.885 6.555 1.457 1.00 0.00 O ATOM 115 CB CYS A 8 45.742 7.998 3.410 1.00 0.00 C ATOM 116 SG CYS A 8 44.975 8.056 1.764 1.00 0.00 S ATOM 0 H CYS A 8 47.510 7.581 5.307 1.00 0.00 H new ATOM 0 HA CYS A 8 46.148 5.874 3.196 1.00 0.00 H new ATOM 0 HB2 CYS A 8 44.971 7.945 4.179 1.00 0.00 H new ATOM 0 HB3 CYS A 8 46.309 8.911 3.589 1.00 0.00 H new ATOM 121 N LEU A 9 48.950 7.530 3.128 1.00 0.00 N ATOM 122 CA LEU A 9 50.191 7.721 2.320 1.00 0.00 C ATOM 123 C LEU A 9 51.247 6.669 2.707 1.00 0.00 C ATOM 124 O LEU A 9 52.410 6.802 2.375 1.00 0.00 O ATOM 125 CB LEU A 9 50.687 9.124 2.687 1.00 0.00 C ATOM 126 CG LEU A 9 49.731 10.177 2.122 1.00 0.00 C ATOM 127 CD1 LEU A 9 49.996 11.518 2.810 1.00 0.00 C ATOM 128 CD2 LEU A 9 49.952 10.323 0.610 1.00 0.00 C ATOM 0 H LEU A 9 49.003 7.879 4.085 1.00 0.00 H new ATOM 0 HA LEU A 9 50.006 7.613 1.251 1.00 0.00 H new ATOM 0 HB2 LEU A 9 50.754 9.224 3.770 1.00 0.00 H new ATOM 0 HB3 LEU A 9 51.690 9.280 2.290 1.00 0.00 H new ATOM 0 HG LEU A 9 48.702 9.867 2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 9 49.317 12.272 2.411 1.00 0.00 H new ATOM 0 HD12 LEU A 9 49.834 11.415 3.883 1.00 0.00 H new ATOM 0 HD13 LEU A 9 51.026 11.824 2.627 1.00 0.00 H new ATOM 0 HD21 LEU A 9 49.269 11.074 0.213 1.00 0.00 H new ATOM 0 HD22 LEU A 9 50.980 10.632 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 9 49.764 9.367 0.121 1.00 0.00 H new ATOM 140 N THR A 10 50.853 5.629 3.408 1.00 0.00 N ATOM 141 CA THR A 10 51.835 4.577 3.819 1.00 0.00 C ATOM 142 C THR A 10 52.373 3.830 2.576 1.00 0.00 C ATOM 143 O THR A 10 51.585 3.346 1.789 1.00 0.00 O ATOM 144 CB THR A 10 51.045 3.619 4.721 1.00 0.00 C ATOM 145 OG1 THR A 10 51.897 2.568 5.147 1.00 0.00 O ATOM 146 CG2 THR A 10 49.856 3.028 3.955 1.00 0.00 C ATOM 0 H THR A 10 49.893 5.465 3.712 1.00 0.00 H new ATOM 0 HA THR A 10 52.698 5.001 4.333 1.00 0.00 H new ATOM 0 HB THR A 10 50.672 4.170 5.584 1.00 0.00 H new ATOM 0 HG1 THR A 10 51.896 2.523 6.126 1.00 0.00 H new ATOM 0 HG21 THR A 10 49.304 2.350 4.606 1.00 0.00 H new ATOM 0 HG22 THR A 10 49.198 3.833 3.628 1.00 0.00 H new ATOM 0 HG23 THR A 10 50.219 2.480 3.086 1.00 0.00 H new ATOM 154 N PRO A 11 53.691 3.747 2.412 1.00 0.00 N ATOM 155 CA PRO A 11 54.256 3.040 1.232 1.00 0.00 C ATOM 156 C PRO A 11 54.014 1.522 1.326 1.00 0.00 C ATOM 157 O PRO A 11 54.944 0.740 1.372 1.00 0.00 O ATOM 158 CB PRO A 11 55.754 3.368 1.326 1.00 0.00 C ATOM 159 CG PRO A 11 55.993 4.243 2.569 1.00 0.00 C ATOM 160 CD PRO A 11 54.680 4.346 3.354 1.00 0.00 C ATOM 0 HA PRO A 11 53.805 3.346 0.288 1.00 0.00 H new ATOM 0 HB2 PRO A 11 56.338 2.450 1.393 1.00 0.00 H new ATOM 0 HB3 PRO A 11 56.083 3.890 0.428 1.00 0.00 H new ATOM 0 HG2 PRO A 11 56.774 3.808 3.193 1.00 0.00 H new ATOM 0 HG3 PRO A 11 56.336 5.235 2.273 1.00 0.00 H new ATOM 0 HD2 PRO A 11 54.726 3.799 4.295 1.00 0.00 H new ATOM 0 HD3 PRO A 11 54.433 5.379 3.598 1.00 0.00 H new ATOM 168 N ALA A 12 52.771 1.101 1.343 1.00 0.00 N ATOM 169 CA ALA A 12 52.450 -0.363 1.421 1.00 0.00 C ATOM 170 C ALA A 12 53.244 -1.053 2.542 1.00 0.00 C ATOM 171 O ALA A 12 54.363 -1.488 2.342 1.00 0.00 O ATOM 172 CB ALA A 12 52.853 -0.926 0.057 1.00 0.00 C ATOM 0 H ALA A 12 51.957 1.714 1.306 1.00 0.00 H new ATOM 0 HA ALA A 12 51.397 -0.531 1.648 1.00 0.00 H new ATOM 0 HB1 ALA A 12 52.650 -1.997 0.031 1.00 0.00 H new ATOM 0 HB2 ALA A 12 52.280 -0.429 -0.726 1.00 0.00 H new ATOM 0 HB3 ALA A 12 53.917 -0.755 -0.107 1.00 0.00 H new ATOM 178 N ASP A 13 52.669 -1.154 3.714 1.00 0.00 N ATOM 179 CA ASP A 13 53.381 -1.819 4.848 1.00 0.00 C ATOM 180 C ASP A 13 53.301 -3.341 4.698 1.00 0.00 C ATOM 181 O ASP A 13 52.230 -3.918 4.728 1.00 0.00 O ATOM 182 CB ASP A 13 52.639 -1.366 6.108 1.00 0.00 C ATOM 183 CG ASP A 13 53.423 -0.244 6.794 1.00 0.00 C ATOM 184 OD1 ASP A 13 54.280 -0.558 7.605 1.00 0.00 O ATOM 185 OD2 ASP A 13 53.155 0.907 6.498 1.00 0.00 O ATOM 0 H ASP A 13 51.737 -0.804 3.935 1.00 0.00 H new ATOM 0 HA ASP A 13 54.438 -1.555 4.883 1.00 0.00 H new ATOM 0 HB2 ASP A 13 51.640 -1.018 5.848 1.00 0.00 H new ATOM 0 HB3 ASP A 13 52.516 -2.207 6.791 1.00 0.00 H new ATOM 190 N ARG A 14 54.426 -3.993 4.534 1.00 0.00 N ATOM 191 CA ARG A 14 54.418 -5.482 4.380 1.00 0.00 C ATOM 192 C ARG A 14 53.956 -6.146 5.681 1.00 0.00 C ATOM 193 O ARG A 14 52.883 -6.717 5.748 1.00 0.00 O ATOM 194 CB ARG A 14 55.868 -5.863 4.071 1.00 0.00 C ATOM 195 CG ARG A 14 56.221 -5.428 2.645 1.00 0.00 C ATOM 196 CD ARG A 14 57.677 -4.959 2.596 1.00 0.00 C ATOM 197 NE ARG A 14 57.723 -3.967 1.487 1.00 0.00 N ATOM 198 CZ ARG A 14 58.052 -4.350 0.284 1.00 0.00 C ATOM 199 NH1 ARG A 14 59.205 -4.922 0.073 1.00 0.00 N ATOM 200 NH2 ARG A 14 57.226 -4.161 -0.708 1.00 0.00 N ATOM 0 H ARG A 14 55.349 -3.559 4.500 1.00 0.00 H new ATOM 0 HA ARG A 14 53.737 -5.809 3.595 1.00 0.00 H new ATOM 0 HB2 ARG A 14 56.540 -5.386 4.784 1.00 0.00 H new ATOM 0 HB3 ARG A 14 56.002 -6.939 4.177 1.00 0.00 H new ATOM 0 HG2 ARG A 14 56.072 -6.258 1.954 1.00 0.00 H new ATOM 0 HG3 ARG A 14 55.559 -4.624 2.325 1.00 0.00 H new ATOM 0 HD2 ARG A 14 57.979 -4.509 3.542 1.00 0.00 H new ATOM 0 HD3 ARG A 14 58.354 -5.792 2.409 1.00 0.00 H new ATOM 0 HE ARG A 14 57.498 -2.989 1.667 1.00 0.00 H new ATOM 0 HH11 ARG A 14 59.850 -5.070 0.849 1.00 0.00 H new ATOM 0 HH12 ARG A 14 59.461 -5.221 -0.868 1.00 0.00 H new ATOM 0 HH21 ARG A 14 56.324 -3.714 -0.543 1.00 0.00 H new ATOM 0 HH22 ARG A 14 57.482 -4.460 -1.649 1.00 0.00 H new ATOM 214 N GLY A 15 54.758 -6.072 6.713 1.00 0.00 N ATOM 215 CA GLY A 15 54.373 -6.696 8.014 1.00 0.00 C ATOM 216 C GLY A 15 55.626 -6.949 8.853 1.00 0.00 C ATOM 217 O GLY A 15 56.261 -6.026 9.327 1.00 0.00 O ATOM 0 H GLY A 15 55.665 -5.605 6.710 1.00 0.00 H new ATOM 0 HA2 GLY A 15 53.688 -6.042 8.554 1.00 0.00 H new ATOM 0 HA3 GLY A 15 53.846 -7.634 7.837 1.00 0.00 H new ATOM 221 N LEU A 16 55.983 -8.194 9.042 1.00 0.00 N ATOM 222 CA LEU A 16 57.198 -8.517 9.852 1.00 0.00 C ATOM 223 C LEU A 16 57.585 -9.990 9.671 1.00 0.00 C ATOM 224 O LEU A 16 58.135 -10.606 10.565 1.00 0.00 O ATOM 225 CB LEU A 16 56.794 -8.239 11.308 1.00 0.00 C ATOM 226 CG LEU A 16 57.599 -7.055 11.857 1.00 0.00 C ATOM 227 CD1 LEU A 16 57.109 -6.713 13.265 1.00 0.00 C ATOM 228 CD2 LEU A 16 59.082 -7.431 11.913 1.00 0.00 C ATOM 0 H LEU A 16 55.485 -9.003 8.670 1.00 0.00 H new ATOM 0 HA LEU A 16 58.062 -7.925 9.550 1.00 0.00 H new ATOM 0 HB2 LEU A 16 55.727 -8.021 11.363 1.00 0.00 H new ATOM 0 HB3 LEU A 16 56.971 -9.124 11.919 1.00 0.00 H new ATOM 0 HG LEU A 16 57.465 -6.191 11.206 1.00 0.00 H new ATOM 0 HD11 LEU A 16 57.681 -5.871 13.655 1.00 0.00 H new ATOM 0 HD12 LEU A 16 56.053 -6.447 13.228 1.00 0.00 H new ATOM 0 HD13 LEU A 16 57.243 -7.576 13.917 1.00 0.00 H new ATOM 0 HD21 LEU A 16 59.656 -6.590 12.303 1.00 0.00 H new ATOM 0 HD22 LEU A 16 59.214 -8.294 12.565 1.00 0.00 H new ATOM 0 HD23 LEU A 16 59.433 -7.676 10.911 1.00 0.00 H new ATOM 240 N CYS A 17 57.307 -10.554 8.521 1.00 0.00 N ATOM 241 CA CYS A 17 57.665 -11.985 8.278 1.00 0.00 C ATOM 242 C CYS A 17 57.608 -12.304 6.781 1.00 0.00 C ATOM 243 O CYS A 17 57.539 -11.416 5.953 1.00 0.00 O ATOM 244 CB CYS A 17 56.635 -12.814 9.057 1.00 0.00 C ATOM 245 SG CYS A 17 54.953 -12.408 8.523 1.00 0.00 S ATOM 0 H CYS A 17 56.848 -10.085 7.741 1.00 0.00 H new ATOM 0 HA CYS A 17 58.680 -12.208 8.607 1.00 0.00 H new ATOM 0 HB2 CYS A 17 56.824 -13.876 8.903 1.00 0.00 H new ATOM 0 HB3 CYS A 17 56.739 -12.623 10.125 1.00 0.00 H new ATOM 250 N ARG A 18 57.653 -13.565 6.430 1.00 0.00 N ATOM 251 CA ARG A 18 57.622 -13.947 4.987 1.00 0.00 C ATOM 252 C ARG A 18 56.227 -14.431 4.573 1.00 0.00 C ATOM 253 O ARG A 18 55.841 -15.553 4.847 1.00 0.00 O ATOM 254 CB ARG A 18 58.640 -15.080 4.857 1.00 0.00 C ATOM 255 CG ARG A 18 58.846 -15.416 3.377 1.00 0.00 C ATOM 256 CD ARG A 18 59.896 -14.475 2.771 1.00 0.00 C ATOM 257 NE ARG A 18 59.214 -13.821 1.618 1.00 0.00 N ATOM 258 CZ ARG A 18 59.816 -13.742 0.463 1.00 0.00 C ATOM 259 NH1 ARG A 18 59.909 -14.798 -0.299 1.00 0.00 N ATOM 260 NH2 ARG A 18 60.325 -12.607 0.068 1.00 0.00 N ATOM 0 H ARG A 18 57.710 -14.347 7.083 1.00 0.00 H new ATOM 0 HA ARG A 18 57.858 -13.101 4.341 1.00 0.00 H new ATOM 0 HB2 ARG A 18 59.587 -14.786 5.309 1.00 0.00 H new ATOM 0 HB3 ARG A 18 58.290 -15.961 5.395 1.00 0.00 H new ATOM 0 HG2 ARG A 18 59.169 -16.452 3.271 1.00 0.00 H new ATOM 0 HG3 ARG A 18 57.903 -15.319 2.838 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.232 -13.738 3.500 1.00 0.00 H new ATOM 0 HD3 ARG A 18 60.778 -15.026 2.446 1.00 0.00 H new ATOM 0 HE ARG A 18 58.277 -13.435 1.732 1.00 0.00 H new ATOM 0 HH11 ARG A 18 59.511 -15.685 0.008 1.00 0.00 H new ATOM 0 HH12 ARG A 18 60.380 -14.736 -1.202 1.00 0.00 H new ATOM 0 HH21 ARG A 18 60.252 -11.781 0.662 1.00 0.00 H new ATOM 0 HH22 ARG A 18 60.795 -12.546 -0.835 1.00 0.00 H new ATOM 274 N ALA A 19 55.482 -13.594 3.901 1.00 0.00 N ATOM 275 CA ALA A 19 54.117 -13.989 3.441 1.00 0.00 C ATOM 276 C ALA A 19 53.757 -13.206 2.175 1.00 0.00 C ATOM 277 O ALA A 19 53.635 -11.995 2.197 1.00 0.00 O ATOM 278 CB ALA A 19 53.176 -13.627 4.590 1.00 0.00 C ATOM 0 H ALA A 19 55.762 -12.646 3.649 1.00 0.00 H new ATOM 0 HA ALA A 19 54.051 -15.049 3.197 1.00 0.00 H new ATOM 0 HB1 ALA A 19 52.153 -13.891 4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 19 53.468 -14.176 5.486 1.00 0.00 H new ATOM 0 HB3 ALA A 19 53.235 -12.556 4.785 1.00 0.00 H new ATOM 284 N ASN A 20 53.603 -13.891 1.075 1.00 0.00 N ATOM 285 CA ASN A 20 53.267 -13.202 -0.208 1.00 0.00 C ATOM 286 C ASN A 20 51.750 -13.102 -0.394 1.00 0.00 C ATOM 287 O ASN A 20 51.146 -13.919 -1.064 1.00 0.00 O ATOM 288 CB ASN A 20 53.883 -14.079 -1.298 1.00 0.00 C ATOM 289 CG ASN A 20 55.407 -13.963 -1.248 1.00 0.00 C ATOM 290 OD1 ASN A 20 55.938 -12.955 -0.825 1.00 0.00 O ATOM 291 ND2 ASN A 20 56.139 -14.960 -1.664 1.00 0.00 N ATOM 0 H ASN A 20 53.696 -14.905 1.007 1.00 0.00 H new ATOM 0 HA ASN A 20 53.649 -12.181 -0.233 1.00 0.00 H new ATOM 0 HB2 ASN A 20 53.582 -15.117 -1.157 1.00 0.00 H new ATOM 0 HB3 ASN A 20 53.516 -13.771 -2.277 1.00 0.00 H new ATOM 0 HD21 ASN A 20 57.156 -14.893 -1.634 1.00 0.00 H new ATOM 0 HD22 ASN A 20 55.694 -15.806 -2.019 1.00 0.00 H new ATOM 298 N GLU A 21 51.136 -12.103 0.186 1.00 0.00 N ATOM 299 CA GLU A 21 49.658 -11.936 0.038 1.00 0.00 C ATOM 300 C GLU A 21 49.353 -11.064 -1.188 1.00 0.00 C ATOM 301 O GLU A 21 50.168 -10.942 -2.083 1.00 0.00 O ATOM 302 CB GLU A 21 49.203 -11.246 1.328 1.00 0.00 C ATOM 303 CG GLU A 21 49.529 -12.137 2.531 1.00 0.00 C ATOM 304 CD GLU A 21 48.304 -12.978 2.893 1.00 0.00 C ATOM 305 OE1 GLU A 21 47.214 -12.428 2.902 1.00 0.00 O ATOM 306 OE2 GLU A 21 48.475 -14.157 3.159 1.00 0.00 O ATOM 0 H GLU A 21 51.595 -11.394 0.757 1.00 0.00 H new ATOM 0 HA GLU A 21 49.142 -12.885 -0.111 1.00 0.00 H new ATOM 0 HB2 GLU A 21 49.701 -10.282 1.431 1.00 0.00 H new ATOM 0 HB3 GLU A 21 48.132 -11.049 1.288 1.00 0.00 H new ATOM 0 HG2 GLU A 21 50.373 -12.787 2.297 1.00 0.00 H new ATOM 0 HG3 GLU A 21 49.825 -11.523 3.381 1.00 0.00 H new ATOM 313 N ASN A 22 48.191 -10.459 -1.236 1.00 0.00 N ATOM 314 CA ASN A 22 47.838 -9.594 -2.406 1.00 0.00 C ATOM 315 C ASN A 22 46.865 -8.489 -1.976 1.00 0.00 C ATOM 316 O ASN A 22 45.706 -8.488 -2.345 1.00 0.00 O ATOM 317 CB ASN A 22 47.177 -10.542 -3.414 1.00 0.00 C ATOM 318 CG ASN A 22 47.696 -10.239 -4.821 1.00 0.00 C ATOM 319 OD1 ASN A 22 47.974 -9.102 -5.148 1.00 0.00 O ATOM 320 ND2 ASN A 22 47.838 -11.216 -5.674 1.00 0.00 N ATOM 0 H ASN A 22 47.472 -10.527 -0.516 1.00 0.00 H new ATOM 0 HA ASN A 22 48.709 -9.095 -2.831 1.00 0.00 H new ATOM 0 HB2 ASN A 22 47.394 -11.577 -3.151 1.00 0.00 H new ATOM 0 HB3 ASN A 22 46.094 -10.425 -3.382 1.00 0.00 H new ATOM 0 HD21 ASN A 22 48.182 -11.025 -6.615 1.00 0.00 H new ATOM 0 HD22 ASN A 22 47.605 -12.170 -5.400 1.00 0.00 H new ATOM 327 N ARG A 23 47.336 -7.547 -1.197 1.00 0.00 N ATOM 328 CA ARG A 23 46.449 -6.433 -0.735 1.00 0.00 C ATOM 329 C ARG A 23 46.514 -5.257 -1.717 1.00 0.00 C ATOM 330 O ARG A 23 47.472 -5.107 -2.450 1.00 0.00 O ATOM 331 CB ARG A 23 47.002 -6.023 0.631 1.00 0.00 C ATOM 332 CG ARG A 23 46.634 -7.084 1.671 1.00 0.00 C ATOM 333 CD ARG A 23 45.194 -6.859 2.141 1.00 0.00 C ATOM 334 NE ARG A 23 45.077 -7.637 3.407 1.00 0.00 N ATOM 335 CZ ARG A 23 43.999 -8.332 3.648 1.00 0.00 C ATOM 336 NH1 ARG A 23 43.889 -9.547 3.189 1.00 0.00 N ATOM 337 NH2 ARG A 23 43.031 -7.809 4.350 1.00 0.00 N ATOM 0 H ARG A 23 48.298 -7.501 -0.860 1.00 0.00 H new ATOM 0 HA ARG A 23 45.404 -6.738 -0.676 1.00 0.00 H new ATOM 0 HB2 ARG A 23 48.085 -5.911 0.578 1.00 0.00 H new ATOM 0 HB3 ARG A 23 46.595 -5.055 0.924 1.00 0.00 H new ATOM 0 HG2 ARG A 23 46.736 -8.081 1.242 1.00 0.00 H new ATOM 0 HG3 ARG A 23 47.317 -7.030 2.519 1.00 0.00 H new ATOM 0 HD2 ARG A 23 44.994 -5.801 2.308 1.00 0.00 H new ATOM 0 HD3 ARG A 23 44.477 -7.205 1.397 1.00 0.00 H new ATOM 0 HE ARG A 23 45.839 -7.626 4.085 1.00 0.00 H new ATOM 0 HH11 ARG A 23 44.646 -9.956 2.641 1.00 0.00 H new ATOM 0 HH12 ARG A 23 43.046 -10.089 3.378 1.00 0.00 H new ATOM 0 HH21 ARG A 23 43.118 -6.858 4.709 1.00 0.00 H new ATOM 0 HH22 ARG A 23 42.188 -8.351 4.539 1.00 0.00 H new ATOM 351 N PHE A 24 45.500 -4.428 -1.736 1.00 0.00 N ATOM 352 CA PHE A 24 45.497 -3.255 -2.666 1.00 0.00 C ATOM 353 C PHE A 24 46.102 -2.022 -1.979 1.00 0.00 C ATOM 354 O PHE A 24 45.502 -1.439 -1.096 1.00 0.00 O ATOM 355 CB PHE A 24 44.021 -3.021 -3.001 1.00 0.00 C ATOM 356 CG PHE A 24 43.659 -3.783 -4.255 1.00 0.00 C ATOM 357 CD1 PHE A 24 43.802 -5.175 -4.291 1.00 0.00 C ATOM 358 CD2 PHE A 24 43.181 -3.099 -5.379 1.00 0.00 C ATOM 359 CE1 PHE A 24 43.466 -5.883 -5.452 1.00 0.00 C ATOM 360 CE2 PHE A 24 42.845 -3.808 -6.540 1.00 0.00 C ATOM 361 CZ PHE A 24 42.987 -5.200 -6.575 1.00 0.00 C ATOM 0 H PHE A 24 44.672 -4.513 -1.146 1.00 0.00 H new ATOM 0 HA PHE A 24 46.094 -3.436 -3.560 1.00 0.00 H new ATOM 0 HB2 PHE A 24 43.393 -3.347 -2.171 1.00 0.00 H new ATOM 0 HB3 PHE A 24 43.834 -1.957 -3.143 1.00 0.00 H new ATOM 0 HD1 PHE A 24 44.171 -5.703 -3.424 1.00 0.00 H new ATOM 0 HD2 PHE A 24 43.071 -2.025 -5.351 1.00 0.00 H new ATOM 0 HE1 PHE A 24 43.577 -6.957 -5.480 1.00 0.00 H new ATOM 0 HE2 PHE A 24 42.477 -3.281 -7.407 1.00 0.00 H new ATOM 0 HZ PHE A 24 42.727 -5.747 -7.469 1.00 0.00 H new ATOM 371 N TYR A 25 47.285 -1.622 -2.380 1.00 0.00 N ATOM 372 CA TYR A 25 47.937 -0.427 -1.757 1.00 0.00 C ATOM 373 C TYR A 25 47.551 0.849 -2.527 1.00 0.00 C ATOM 374 O TYR A 25 47.559 0.878 -3.742 1.00 0.00 O ATOM 375 CB TYR A 25 49.454 -0.729 -1.843 1.00 0.00 C ATOM 376 CG TYR A 25 50.299 0.538 -1.775 1.00 0.00 C ATOM 377 CD1 TYR A 25 49.963 1.568 -0.886 1.00 0.00 C ATOM 378 CD2 TYR A 25 51.416 0.673 -2.609 1.00 0.00 C ATOM 379 CE1 TYR A 25 50.744 2.730 -0.833 1.00 0.00 C ATOM 380 CE2 TYR A 25 52.196 1.835 -2.556 1.00 0.00 C ATOM 381 CZ TYR A 25 51.860 2.864 -1.668 1.00 0.00 C ATOM 382 OH TYR A 25 52.627 4.010 -1.615 1.00 0.00 O ATOM 0 H TYR A 25 47.829 -2.074 -3.115 1.00 0.00 H new ATOM 0 HA TYR A 25 47.626 -0.253 -0.727 1.00 0.00 H new ATOM 0 HB2 TYR A 25 49.737 -1.396 -1.029 1.00 0.00 H new ATOM 0 HB3 TYR A 25 49.666 -1.255 -2.774 1.00 0.00 H new ATOM 0 HD1 TYR A 25 49.102 1.466 -0.242 1.00 0.00 H new ATOM 0 HD2 TYR A 25 51.676 -0.120 -3.294 1.00 0.00 H new ATOM 0 HE1 TYR A 25 50.485 3.523 -0.147 1.00 0.00 H new ATOM 0 HE2 TYR A 25 53.057 1.937 -3.200 1.00 0.00 H new ATOM 0 HH TYR A 25 53.363 3.941 -2.258 1.00 0.00 H new ATOM 392 N TYR A 26 47.232 1.903 -1.817 1.00 0.00 N ATOM 393 CA TYR A 26 46.863 3.186 -2.486 1.00 0.00 C ATOM 394 C TYR A 26 48.132 3.983 -2.811 1.00 0.00 C ATOM 395 O TYR A 26 48.845 4.413 -1.923 1.00 0.00 O ATOM 396 CB TYR A 26 46.004 3.933 -1.461 1.00 0.00 C ATOM 397 CG TYR A 26 45.578 5.271 -2.025 1.00 0.00 C ATOM 398 CD1 TYR A 26 44.400 5.373 -2.774 1.00 0.00 C ATOM 399 CD2 TYR A 26 46.364 6.407 -1.799 1.00 0.00 C ATOM 400 CE1 TYR A 26 44.008 6.611 -3.296 1.00 0.00 C ATOM 401 CE2 TYR A 26 45.973 7.646 -2.321 1.00 0.00 C ATOM 402 CZ TYR A 26 44.795 7.748 -3.070 1.00 0.00 C ATOM 403 OH TYR A 26 44.408 8.969 -3.583 1.00 0.00 O ATOM 0 H TYR A 26 47.212 1.928 -0.798 1.00 0.00 H new ATOM 0 HA TYR A 26 46.330 3.032 -3.424 1.00 0.00 H new ATOM 0 HB2 TYR A 26 45.126 3.339 -1.207 1.00 0.00 H new ATOM 0 HB3 TYR A 26 46.567 4.079 -0.539 1.00 0.00 H new ATOM 0 HD1 TYR A 26 43.794 4.497 -2.949 1.00 0.00 H new ATOM 0 HD2 TYR A 26 47.273 6.328 -1.221 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.099 6.690 -3.873 1.00 0.00 H new ATOM 0 HE2 TYR A 26 46.580 8.522 -2.146 1.00 0.00 H new ATOM 0 HH TYR A 26 45.065 9.652 -3.333 1.00 0.00 H new ATOM 413 N ASN A 27 48.415 4.184 -4.073 1.00 0.00 N ATOM 414 CA ASN A 27 49.635 4.955 -4.455 1.00 0.00 C ATOM 415 C ASN A 27 49.342 6.457 -4.415 1.00 0.00 C ATOM 416 O ASN A 27 48.401 6.932 -5.028 1.00 0.00 O ATOM 417 CB ASN A 27 49.965 4.509 -5.876 1.00 0.00 C ATOM 418 CG ASN A 27 50.660 3.147 -5.837 1.00 0.00 C ATOM 419 OD1 ASN A 27 50.252 2.264 -5.110 1.00 0.00 O ATOM 420 ND2 ASN A 27 51.702 2.940 -6.596 1.00 0.00 N ATOM 0 H ASN A 27 47.853 3.847 -4.855 1.00 0.00 H new ATOM 0 HA ASN A 27 50.466 4.774 -3.774 1.00 0.00 H new ATOM 0 HB2 ASN A 27 49.053 4.446 -6.470 1.00 0.00 H new ATOM 0 HB3 ASN A 27 50.609 5.244 -6.358 1.00 0.00 H new ATOM 0 HD21 ASN A 27 52.174 2.036 -6.579 1.00 0.00 H new ATOM 0 HD22 ASN A 27 52.044 3.682 -7.206 1.00 0.00 H new ATOM 427 N SER A 28 50.141 7.201 -3.694 1.00 0.00 N ATOM 428 CA SER A 28 49.919 8.676 -3.589 1.00 0.00 C ATOM 429 C SER A 28 50.524 9.431 -4.785 1.00 0.00 C ATOM 430 O SER A 28 50.592 10.647 -4.774 1.00 0.00 O ATOM 431 CB SER A 28 50.623 9.085 -2.296 1.00 0.00 C ATOM 432 OG SER A 28 50.342 8.126 -1.284 1.00 0.00 O ATOM 0 H SER A 28 50.942 6.849 -3.170 1.00 0.00 H new ATOM 0 HA SER A 28 48.856 8.918 -3.587 1.00 0.00 H new ATOM 0 HB2 SER A 28 51.698 9.153 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 28 50.285 10.072 -1.981 1.00 0.00 H new ATOM 0 HG SER A 28 49.373 8.063 -1.153 1.00 0.00 H new ATOM 438 N VAL A 29 50.959 8.738 -5.811 1.00 0.00 N ATOM 439 CA VAL A 29 51.551 9.440 -6.993 1.00 0.00 C ATOM 440 C VAL A 29 50.661 9.232 -8.223 1.00 0.00 C ATOM 441 O VAL A 29 50.352 10.166 -8.937 1.00 0.00 O ATOM 442 CB VAL A 29 52.928 8.805 -7.201 1.00 0.00 C ATOM 443 CG1 VAL A 29 53.637 9.496 -8.369 1.00 0.00 C ATOM 444 CG2 VAL A 29 53.770 8.975 -5.932 1.00 0.00 C ATOM 0 H VAL A 29 50.930 7.721 -5.880 1.00 0.00 H new ATOM 0 HA VAL A 29 51.632 10.516 -6.836 1.00 0.00 H new ATOM 0 HB VAL A 29 52.805 7.744 -7.419 1.00 0.00 H new ATOM 0 HG11 VAL A 29 54.618 9.044 -8.518 1.00 0.00 H new ATOM 0 HG12 VAL A 29 53.043 9.380 -9.275 1.00 0.00 H new ATOM 0 HG13 VAL A 29 53.756 10.556 -8.146 1.00 0.00 H new ATOM 0 HG21 VAL A 29 54.750 8.522 -6.082 1.00 0.00 H new ATOM 0 HG22 VAL A 29 53.890 10.036 -5.715 1.00 0.00 H new ATOM 0 HG23 VAL A 29 53.270 8.488 -5.095 1.00 0.00 H new ATOM 454 N ILE A 30 50.244 8.014 -8.466 1.00 0.00 N ATOM 455 CA ILE A 30 49.363 7.747 -9.645 1.00 0.00 C ATOM 456 C ILE A 30 47.891 7.891 -9.237 1.00 0.00 C ATOM 457 O ILE A 30 47.071 8.340 -10.016 1.00 0.00 O ATOM 458 CB ILE A 30 49.686 6.320 -10.115 1.00 0.00 C ATOM 459 CG1 ILE A 30 49.368 5.303 -9.012 1.00 0.00 C ATOM 460 CG2 ILE A 30 51.172 6.228 -10.473 1.00 0.00 C ATOM 461 CD1 ILE A 30 49.580 3.886 -9.548 1.00 0.00 C ATOM 0 H ILE A 30 50.474 7.196 -7.902 1.00 0.00 H new ATOM 0 HA ILE A 30 49.536 8.457 -10.454 1.00 0.00 H new ATOM 0 HB ILE A 30 49.075 6.093 -10.989 1.00 0.00 H new ATOM 0 HG12 ILE A 30 50.009 5.476 -8.147 1.00 0.00 H new ATOM 0 HG13 ILE A 30 48.339 5.426 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 30 51.404 5.217 -10.807 1.00 0.00 H new ATOM 0 HG22 ILE A 30 51.398 6.934 -11.272 1.00 0.00 H new ATOM 0 HG23 ILE A 30 51.773 6.467 -9.596 1.00 0.00 H new ATOM 0 HD11 ILE A 30 49.354 3.163 -8.764 1.00 0.00 H new ATOM 0 HD12 ILE A 30 48.921 3.717 -10.399 1.00 0.00 H new ATOM 0 HD13 ILE A 30 50.617 3.767 -9.863 1.00 0.00 H new ATOM 473 N GLY A 31 47.556 7.544 -8.015 1.00 0.00 N ATOM 474 CA GLY A 31 46.141 7.700 -7.557 1.00 0.00 C ATOM 475 C GLY A 31 45.431 6.346 -7.479 1.00 0.00 C ATOM 476 O GLY A 31 44.642 6.111 -6.582 1.00 0.00 O ATOM 0 H GLY A 31 48.198 7.162 -7.321 1.00 0.00 H new ATOM 0 HA2 GLY A 31 46.124 8.179 -6.578 1.00 0.00 H new ATOM 0 HA3 GLY A 31 45.604 8.356 -8.243 1.00 0.00 H new ATOM 480 N LYS A 32 45.680 5.461 -8.413 1.00 0.00 N ATOM 481 CA LYS A 32 44.986 4.136 -8.384 1.00 0.00 C ATOM 482 C LYS A 32 45.606 3.216 -7.319 1.00 0.00 C ATOM 483 O LYS A 32 46.710 3.436 -6.860 1.00 0.00 O ATOM 484 CB LYS A 32 45.142 3.561 -9.803 1.00 0.00 C ATOM 485 CG LYS A 32 46.596 3.136 -10.068 1.00 0.00 C ATOM 486 CD LYS A 32 46.648 1.632 -10.351 1.00 0.00 C ATOM 487 CE LYS A 32 46.199 1.367 -11.793 1.00 0.00 C ATOM 488 NZ LYS A 32 47.190 0.395 -12.334 1.00 0.00 N ATOM 0 H LYS A 32 46.329 5.597 -9.188 1.00 0.00 H new ATOM 0 HA LYS A 32 43.934 4.230 -8.114 1.00 0.00 H new ATOM 0 HB2 LYS A 32 44.480 2.704 -9.927 1.00 0.00 H new ATOM 0 HB3 LYS A 32 44.838 4.307 -10.537 1.00 0.00 H new ATOM 0 HG2 LYS A 32 46.999 3.690 -10.916 1.00 0.00 H new ATOM 0 HG3 LYS A 32 47.219 3.376 -9.206 1.00 0.00 H new ATOM 0 HD2 LYS A 32 47.660 1.257 -10.199 1.00 0.00 H new ATOM 0 HD3 LYS A 32 46.003 1.097 -9.654 1.00 0.00 H new ATOM 0 HE2 LYS A 32 45.189 0.958 -11.823 1.00 0.00 H new ATOM 0 HE3 LYS A 32 46.188 2.287 -12.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 46.948 0.165 -13.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 48.141 0.814 -12.300 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 47.173 -0.473 -11.762 1.00 0.00 H new ATOM 502 N CYS A 33 44.892 2.194 -6.926 1.00 0.00 N ATOM 503 CA CYS A 33 45.414 1.253 -5.889 1.00 0.00 C ATOM 504 C CYS A 33 46.166 0.088 -6.546 1.00 0.00 C ATOM 505 O CYS A 33 45.570 -0.764 -7.178 1.00 0.00 O ATOM 506 CB CYS A 33 44.163 0.747 -5.162 1.00 0.00 C ATOM 507 SG CYS A 33 44.490 0.617 -3.385 1.00 0.00 S ATOM 0 H CYS A 33 43.963 1.969 -7.281 1.00 0.00 H new ATOM 0 HA CYS A 33 46.120 1.734 -5.212 1.00 0.00 H new ATOM 0 HB2 CYS A 33 43.330 1.427 -5.338 1.00 0.00 H new ATOM 0 HB3 CYS A 33 43.870 -0.225 -5.558 1.00 0.00 H new ATOM 512 N ARG A 34 47.466 0.045 -6.396 1.00 0.00 N ATOM 513 CA ARG A 34 48.261 -1.067 -7.003 1.00 0.00 C ATOM 514 C ARG A 34 48.379 -2.242 -6.002 1.00 0.00 C ATOM 515 O ARG A 34 48.828 -2.033 -4.893 1.00 0.00 O ATOM 516 CB ARG A 34 49.640 -0.462 -7.273 1.00 0.00 C ATOM 517 CG ARG A 34 49.552 0.511 -8.452 1.00 0.00 C ATOM 518 CD ARG A 34 49.764 -0.252 -9.762 1.00 0.00 C ATOM 519 NE ARG A 34 50.565 0.668 -10.617 1.00 0.00 N ATOM 520 CZ ARG A 34 51.702 0.268 -11.119 1.00 0.00 C ATOM 521 NH1 ARG A 34 51.768 -0.862 -11.768 1.00 0.00 N ATOM 522 NH2 ARG A 34 52.772 1.000 -10.972 1.00 0.00 N ATOM 0 H ARG A 34 48.012 0.733 -5.878 1.00 0.00 H new ATOM 0 HA ARG A 34 47.800 -1.460 -7.909 1.00 0.00 H new ATOM 0 HB2 ARG A 34 50.000 0.058 -6.385 1.00 0.00 H new ATOM 0 HB3 ARG A 34 50.358 -1.252 -7.493 1.00 0.00 H new ATOM 0 HG2 ARG A 34 48.579 1.003 -8.459 1.00 0.00 H new ATOM 0 HG3 ARG A 34 50.304 1.293 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 34 50.290 -1.191 -9.591 1.00 0.00 H new ATOM 0 HD3 ARG A 34 48.813 -0.501 -10.233 1.00 0.00 H new ATOM 0 HE ARG A 34 50.225 1.610 -10.810 1.00 0.00 H new ATOM 0 HH11 ARG A 34 50.931 -1.433 -11.883 1.00 0.00 H new ATOM 0 HH12 ARG A 34 52.657 -1.174 -12.160 1.00 0.00 H new ATOM 0 HH21 ARG A 34 52.720 1.884 -10.465 1.00 0.00 H new ATOM 0 HH22 ARG A 34 53.661 0.689 -11.364 1.00 0.00 H new ATOM 536 N PRO A 35 47.978 -3.448 -6.397 1.00 0.00 N ATOM 537 CA PRO A 35 48.069 -4.602 -5.467 1.00 0.00 C ATOM 538 C PRO A 35 49.531 -4.914 -5.119 1.00 0.00 C ATOM 539 O PRO A 35 50.411 -4.808 -5.952 1.00 0.00 O ATOM 540 CB PRO A 35 47.448 -5.746 -6.279 1.00 0.00 C ATOM 541 CG PRO A 35 47.023 -5.206 -7.656 1.00 0.00 C ATOM 542 CD PRO A 35 47.422 -3.730 -7.751 1.00 0.00 C ATOM 0 HA PRO A 35 47.570 -4.426 -4.514 1.00 0.00 H new ATOM 0 HB2 PRO A 35 48.166 -6.557 -6.398 1.00 0.00 H new ATOM 0 HB3 PRO A 35 46.586 -6.157 -5.753 1.00 0.00 H new ATOM 0 HG2 PRO A 35 47.502 -5.778 -8.450 1.00 0.00 H new ATOM 0 HG3 PRO A 35 45.947 -5.315 -7.789 1.00 0.00 H new ATOM 0 HD2 PRO A 35 48.161 -3.561 -8.534 1.00 0.00 H new ATOM 0 HD3 PRO A 35 46.566 -3.094 -7.977 1.00 0.00 H new ATOM 550 N PHE A 36 49.786 -5.316 -3.898 1.00 0.00 N ATOM 551 CA PHE A 36 51.183 -5.655 -3.492 1.00 0.00 C ATOM 552 C PHE A 36 51.184 -6.912 -2.613 1.00 0.00 C ATOM 553 O PHE A 36 50.140 -7.437 -2.272 1.00 0.00 O ATOM 554 CB PHE A 36 51.703 -4.426 -2.723 1.00 0.00 C ATOM 555 CG PHE A 36 50.959 -4.253 -1.414 1.00 0.00 C ATOM 556 CD1 PHE A 36 49.631 -3.812 -1.413 1.00 0.00 C ATOM 557 CD2 PHE A 36 51.604 -4.531 -0.203 1.00 0.00 C ATOM 558 CE1 PHE A 36 48.948 -3.651 -0.203 1.00 0.00 C ATOM 559 CE2 PHE A 36 50.922 -4.370 1.009 1.00 0.00 C ATOM 560 CZ PHE A 36 49.593 -3.929 1.009 1.00 0.00 C ATOM 0 H PHE A 36 49.085 -5.424 -3.165 1.00 0.00 H new ATOM 0 HA PHE A 36 51.821 -5.875 -4.348 1.00 0.00 H new ATOM 0 HB2 PHE A 36 52.769 -4.539 -2.528 1.00 0.00 H new ATOM 0 HB3 PHE A 36 51.584 -3.532 -3.335 1.00 0.00 H new ATOM 0 HD1 PHE A 36 49.133 -3.596 -2.347 1.00 0.00 H new ATOM 0 HD2 PHE A 36 52.629 -4.870 -0.204 1.00 0.00 H new ATOM 0 HE1 PHE A 36 47.923 -3.312 -0.203 1.00 0.00 H new ATOM 0 HE2 PHE A 36 51.420 -4.586 1.943 1.00 0.00 H new ATOM 0 HZ PHE A 36 49.065 -3.803 1.943 1.00 0.00 H new ATOM 570 N LYS A 37 52.343 -7.394 -2.248 1.00 0.00 N ATOM 571 CA LYS A 37 52.412 -8.616 -1.393 1.00 0.00 C ATOM 572 C LYS A 37 52.407 -8.231 0.087 1.00 0.00 C ATOM 573 O LYS A 37 53.408 -7.806 0.633 1.00 0.00 O ATOM 574 CB LYS A 37 53.726 -9.296 -1.773 1.00 0.00 C ATOM 575 CG LYS A 37 53.469 -10.294 -2.904 1.00 0.00 C ATOM 576 CD LYS A 37 54.720 -10.408 -3.785 1.00 0.00 C ATOM 577 CE LYS A 37 54.313 -10.460 -5.262 1.00 0.00 C ATOM 578 NZ LYS A 37 55.274 -9.560 -5.959 1.00 0.00 N ATOM 0 H LYS A 37 53.245 -6.994 -2.505 1.00 0.00 H new ATOM 0 HA LYS A 37 51.557 -9.275 -1.547 1.00 0.00 H new ATOM 0 HB2 LYS A 37 54.457 -8.551 -2.089 1.00 0.00 H new ATOM 0 HB3 LYS A 37 54.147 -9.809 -0.908 1.00 0.00 H new ATOM 0 HG2 LYS A 37 53.213 -11.270 -2.490 1.00 0.00 H new ATOM 0 HG3 LYS A 37 52.618 -9.969 -3.503 1.00 0.00 H new ATOM 0 HD2 LYS A 37 55.378 -9.557 -3.610 1.00 0.00 H new ATOM 0 HD3 LYS A 37 55.281 -11.305 -3.521 1.00 0.00 H new ATOM 0 HE2 LYS A 37 54.371 -11.476 -5.652 1.00 0.00 H new ATOM 0 HE3 LYS A 37 53.286 -10.123 -5.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 55.059 -9.544 -6.976 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 55.192 -8.598 -5.572 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 56.243 -9.909 -5.816 1.00 0.00 H new ATOM 592 N TYR A 38 51.282 -8.384 0.735 1.00 0.00 N ATOM 593 CA TYR A 38 51.187 -8.036 2.182 1.00 0.00 C ATOM 594 C TYR A 38 51.532 -9.260 3.037 1.00 0.00 C ATOM 595 O TYR A 38 51.650 -10.363 2.536 1.00 0.00 O ATOM 596 CB TYR A 38 49.726 -7.627 2.385 1.00 0.00 C ATOM 597 CG TYR A 38 49.519 -7.156 3.804 1.00 0.00 C ATOM 598 CD1 TYR A 38 50.238 -6.058 4.291 1.00 0.00 C ATOM 599 CD2 TYR A 38 48.607 -7.820 4.633 1.00 0.00 C ATOM 600 CE1 TYR A 38 50.043 -5.622 5.608 1.00 0.00 C ATOM 601 CE2 TYR A 38 48.412 -7.384 5.949 1.00 0.00 C ATOM 602 CZ TYR A 38 49.130 -6.285 6.436 1.00 0.00 C ATOM 603 OH TYR A 38 48.937 -5.857 7.734 1.00 0.00 O ATOM 0 H TYR A 38 50.420 -8.738 0.320 1.00 0.00 H new ATOM 0 HA TYR A 38 51.877 -7.243 2.472 1.00 0.00 H new ATOM 0 HB2 TYR A 38 49.461 -6.833 1.686 1.00 0.00 H new ATOM 0 HB3 TYR A 38 49.070 -8.471 2.173 1.00 0.00 H new ATOM 0 HD1 TYR A 38 50.943 -5.547 3.652 1.00 0.00 H new ATOM 0 HD2 TYR A 38 48.054 -8.668 4.257 1.00 0.00 H new ATOM 0 HE1 TYR A 38 50.597 -4.775 5.984 1.00 0.00 H new ATOM 0 HE2 TYR A 38 47.708 -7.895 6.589 1.00 0.00 H new ATOM 0 HH TYR A 38 48.269 -6.426 8.170 1.00 0.00 H new ATOM 613 N SER A 39 51.696 -9.073 4.323 1.00 0.00 N ATOM 614 CA SER A 39 52.032 -10.222 5.214 1.00 0.00 C ATOM 615 C SER A 39 50.984 -10.352 6.322 1.00 0.00 C ATOM 616 O SER A 39 50.062 -9.563 6.411 1.00 0.00 O ATOM 617 CB SER A 39 53.399 -9.879 5.806 1.00 0.00 C ATOM 618 OG SER A 39 54.280 -9.497 4.758 1.00 0.00 O ATOM 0 H SER A 39 51.611 -8.172 4.793 1.00 0.00 H new ATOM 0 HA SER A 39 52.048 -11.171 4.678 1.00 0.00 H new ATOM 0 HB2 SER A 39 53.303 -9.069 6.529 1.00 0.00 H new ATOM 0 HB3 SER A 39 53.803 -10.738 6.341 1.00 0.00 H new ATOM 0 HG SER A 39 55.158 -9.274 5.133 1.00 0.00 H new ATOM 624 N GLY A 40 51.121 -11.342 7.166 1.00 0.00 N ATOM 625 CA GLY A 40 50.140 -11.533 8.273 1.00 0.00 C ATOM 626 C GLY A 40 50.837 -11.302 9.614 1.00 0.00 C ATOM 627 O GLY A 40 50.553 -11.967 10.592 1.00 0.00 O ATOM 0 H GLY A 40 51.874 -12.029 7.135 1.00 0.00 H new ATOM 0 HA2 GLY A 40 49.307 -10.839 8.159 1.00 0.00 H new ATOM 0 HA3 GLY A 40 49.724 -12.540 8.235 1.00 0.00 H new ATOM 631 N CYS A 41 51.753 -10.369 9.661 1.00 0.00 N ATOM 632 CA CYS A 41 52.483 -10.090 10.935 1.00 0.00 C ATOM 633 C CYS A 41 52.484 -8.585 11.218 1.00 0.00 C ATOM 634 O CYS A 41 53.332 -7.856 10.736 1.00 0.00 O ATOM 635 CB CYS A 41 53.915 -10.586 10.701 1.00 0.00 C ATOM 636 SG CYS A 41 53.905 -12.344 10.250 1.00 0.00 S ATOM 0 H CYS A 41 52.028 -9.787 8.870 1.00 0.00 H new ATOM 0 HA CYS A 41 52.018 -10.582 11.789 1.00 0.00 H new ATOM 0 HB2 CYS A 41 54.385 -10.003 9.909 1.00 0.00 H new ATOM 0 HB3 CYS A 41 54.511 -10.438 11.602 1.00 0.00 H new ATOM 641 N GLY A 42 51.538 -8.115 11.991 1.00 0.00 N ATOM 642 CA GLY A 42 51.476 -6.657 12.307 1.00 0.00 C ATOM 643 C GLY A 42 50.929 -5.900 11.095 1.00 0.00 C ATOM 644 O GLY A 42 49.884 -6.230 10.567 1.00 0.00 O ATOM 0 H GLY A 42 50.804 -8.680 12.418 1.00 0.00 H new ATOM 0 HA2 GLY A 42 50.838 -6.488 13.174 1.00 0.00 H new ATOM 0 HA3 GLY A 42 52.468 -6.286 12.564 1.00 0.00 H new ATOM 648 N GLY A 43 51.631 -4.886 10.651 1.00 0.00 N ATOM 649 CA GLY A 43 51.160 -4.102 9.471 1.00 0.00 C ATOM 650 C GLY A 43 50.469 -2.824 9.946 1.00 0.00 C ATOM 651 O GLY A 43 50.021 -2.733 11.074 1.00 0.00 O ATOM 0 H GLY A 43 52.511 -4.568 11.057 1.00 0.00 H new ATOM 0 HA2 GLY A 43 52.003 -3.853 8.827 1.00 0.00 H new ATOM 0 HA3 GLY A 43 50.470 -4.701 8.876 1.00 0.00 H new ATOM 655 N ASN A 44 50.380 -1.837 9.091 1.00 0.00 N ATOM 656 CA ASN A 44 49.716 -0.557 9.482 1.00 0.00 C ATOM 657 C ASN A 44 48.197 -0.680 9.324 1.00 0.00 C ATOM 658 O ASN A 44 47.649 -1.765 9.354 1.00 0.00 O ATOM 659 CB ASN A 44 50.280 0.491 8.519 1.00 0.00 C ATOM 660 CG ASN A 44 50.426 1.828 9.249 1.00 0.00 C ATOM 661 OD1 ASN A 44 50.585 1.860 10.453 1.00 0.00 O ATOM 662 ND2 ASN A 44 50.380 2.939 8.567 1.00 0.00 N ATOM 0 H ASN A 44 50.739 -1.863 8.137 1.00 0.00 H new ATOM 0 HA ASN A 44 49.903 -0.293 10.523 1.00 0.00 H new ATOM 0 HB2 ASN A 44 51.247 0.166 8.137 1.00 0.00 H new ATOM 0 HB3 ASN A 44 49.619 0.604 7.660 1.00 0.00 H new ATOM 0 HD21 ASN A 44 50.478 3.835 9.045 1.00 0.00 H new ATOM 0 HD22 ASN A 44 50.247 2.912 7.556 1.00 0.00 H new ATOM 669 N GLU A 45 47.516 0.426 9.156 1.00 0.00 N ATOM 670 CA GLU A 45 46.031 0.382 8.997 1.00 0.00 C ATOM 671 C GLU A 45 45.630 0.949 7.631 1.00 0.00 C ATOM 672 O GLU A 45 44.992 1.982 7.538 1.00 0.00 O ATOM 673 CB GLU A 45 45.490 1.257 10.134 1.00 0.00 C ATOM 674 CG GLU A 45 44.269 0.584 10.771 1.00 0.00 C ATOM 675 CD GLU A 45 42.987 1.253 10.268 1.00 0.00 C ATOM 676 OE1 GLU A 45 42.933 2.473 10.287 1.00 0.00 O ATOM 677 OE2 GLU A 45 42.084 0.536 9.874 1.00 0.00 O ATOM 0 H GLU A 45 47.926 1.359 9.122 1.00 0.00 H new ATOM 0 HA GLU A 45 45.634 -0.632 9.042 1.00 0.00 H new ATOM 0 HB2 GLU A 45 46.264 1.413 10.885 1.00 0.00 H new ATOM 0 HB3 GLU A 45 45.216 2.240 9.750 1.00 0.00 H new ATOM 0 HG2 GLU A 45 44.257 -0.478 10.524 1.00 0.00 H new ATOM 0 HG3 GLU A 45 44.327 0.658 11.857 1.00 0.00 H new ATOM 684 N ASN A 46 46.004 0.278 6.570 1.00 0.00 N ATOM 685 CA ASN A 46 45.653 0.766 5.202 1.00 0.00 C ATOM 686 C ASN A 46 45.631 -0.400 4.212 1.00 0.00 C ATOM 687 O ASN A 46 45.891 -0.230 3.036 1.00 0.00 O ATOM 688 CB ASN A 46 46.767 1.748 4.841 1.00 0.00 C ATOM 689 CG ASN A 46 46.444 2.420 3.504 1.00 0.00 C ATOM 690 OD1 ASN A 46 47.285 2.490 2.630 1.00 0.00 O ATOM 691 ND2 ASN A 46 45.256 2.922 3.307 1.00 0.00 N ATOM 0 H ASN A 46 46.539 -0.590 6.593 1.00 0.00 H new ATOM 0 HA ASN A 46 44.667 1.229 5.169 1.00 0.00 H new ATOM 0 HB2 ASN A 46 46.870 2.501 5.623 1.00 0.00 H new ATOM 0 HB3 ASN A 46 47.721 1.224 4.776 1.00 0.00 H new ATOM 0 HD21 ASN A 46 45.034 3.373 2.420 1.00 0.00 H new ATOM 0 HD22 ASN A 46 44.550 2.863 4.040 1.00 0.00 H new ATOM 698 N ASN A 47 45.328 -1.581 4.683 1.00 0.00 N ATOM 699 CA ASN A 47 45.291 -2.769 3.780 1.00 0.00 C ATOM 700 C ASN A 47 43.893 -2.941 3.180 1.00 0.00 C ATOM 701 O ASN A 47 42.972 -3.373 3.847 1.00 0.00 O ATOM 702 CB ASN A 47 45.639 -3.955 4.680 1.00 0.00 C ATOM 703 CG ASN A 47 47.150 -4.190 4.658 1.00 0.00 C ATOM 704 OD1 ASN A 47 47.610 -5.224 4.218 1.00 0.00 O ATOM 705 ND2 ASN A 47 47.949 -3.266 5.120 1.00 0.00 N ATOM 0 H ASN A 47 45.104 -1.775 5.659 1.00 0.00 H new ATOM 0 HA ASN A 47 45.982 -2.673 2.942 1.00 0.00 H new ATOM 0 HB2 ASN A 47 45.306 -3.761 5.700 1.00 0.00 H new ATOM 0 HB3 ASN A 47 45.117 -4.849 4.339 1.00 0.00 H new ATOM 0 HD21 ASN A 47 48.958 -3.413 5.111 1.00 0.00 H new ATOM 0 HD22 ASN A 47 47.564 -2.397 5.490 1.00 0.00 H new ATOM 712 N PHE A 48 43.732 -2.608 1.924 1.00 0.00 N ATOM 713 CA PHE A 48 42.396 -2.752 1.270 1.00 0.00 C ATOM 714 C PHE A 48 42.255 -4.149 0.661 1.00 0.00 C ATOM 715 O PHE A 48 43.198 -4.695 0.118 1.00 0.00 O ATOM 716 CB PHE A 48 42.373 -1.685 0.174 1.00 0.00 C ATOM 717 CG PHE A 48 42.228 -0.321 0.804 1.00 0.00 C ATOM 718 CD1 PHE A 48 41.109 -0.031 1.593 1.00 0.00 C ATOM 719 CD2 PHE A 48 43.211 0.652 0.599 1.00 0.00 C ATOM 720 CE1 PHE A 48 40.973 1.235 2.176 1.00 0.00 C ATOM 721 CE2 PHE A 48 43.077 1.918 1.182 1.00 0.00 C ATOM 722 CZ PHE A 48 41.958 2.208 1.972 1.00 0.00 C ATOM 0 H PHE A 48 44.470 -2.242 1.322 1.00 0.00 H new ATOM 0 HA PHE A 48 41.575 -2.628 1.976 1.00 0.00 H new ATOM 0 HB2 PHE A 48 43.291 -1.731 -0.413 1.00 0.00 H new ATOM 0 HB3 PHE A 48 41.546 -1.870 -0.512 1.00 0.00 H new ATOM 0 HD1 PHE A 48 40.351 -0.783 1.752 1.00 0.00 H new ATOM 0 HD2 PHE A 48 44.074 0.427 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 48 40.108 1.460 2.783 1.00 0.00 H new ATOM 0 HE2 PHE A 48 43.836 2.670 1.023 1.00 0.00 H new ATOM 0 HZ PHE A 48 41.855 3.183 2.424 1.00 0.00 H new ATOM 732 N THR A 49 41.085 -4.730 0.748 1.00 0.00 N ATOM 733 CA THR A 49 40.876 -6.094 0.176 1.00 0.00 C ATOM 734 C THR A 49 40.299 -5.994 -1.239 1.00 0.00 C ATOM 735 O THR A 49 40.558 -6.831 -2.083 1.00 0.00 O ATOM 736 CB THR A 49 39.877 -6.770 1.117 1.00 0.00 C ATOM 737 OG1 THR A 49 38.687 -5.997 1.177 1.00 0.00 O ATOM 738 CG2 THR A 49 40.485 -6.883 2.516 1.00 0.00 C ATOM 0 H THR A 49 40.264 -4.317 1.191 1.00 0.00 H new ATOM 0 HA THR A 49 41.807 -6.655 0.099 1.00 0.00 H new ATOM 0 HB THR A 49 39.645 -7.767 0.743 1.00 0.00 H new ATOM 0 HG1 THR A 49 38.046 -6.430 1.778 1.00 0.00 H new ATOM 0 HG21 THR A 49 39.772 -7.365 3.185 1.00 0.00 H new ATOM 0 HG22 THR A 49 41.397 -7.478 2.469 1.00 0.00 H new ATOM 0 HG23 THR A 49 40.720 -5.887 2.892 1.00 0.00 H new ATOM 746 N SER A 50 39.518 -4.976 -1.501 1.00 0.00 N ATOM 747 CA SER A 50 38.918 -4.815 -2.860 1.00 0.00 C ATOM 748 C SER A 50 39.219 -3.417 -3.409 1.00 0.00 C ATOM 749 O SER A 50 39.775 -2.581 -2.722 1.00 0.00 O ATOM 750 CB SER A 50 37.416 -4.999 -2.651 1.00 0.00 C ATOM 751 OG SER A 50 37.011 -4.278 -1.496 1.00 0.00 O ATOM 0 H SER A 50 39.270 -4.248 -0.831 1.00 0.00 H new ATOM 0 HA SER A 50 39.320 -5.530 -3.578 1.00 0.00 H new ATOM 0 HB2 SER A 50 36.869 -4.645 -3.525 1.00 0.00 H new ATOM 0 HB3 SER A 50 37.180 -6.057 -2.535 1.00 0.00 H new ATOM 0 HG SER A 50 36.047 -4.393 -1.360 1.00 0.00 H new ATOM 757 N LYS A 51 38.856 -3.163 -4.641 1.00 0.00 N ATOM 758 CA LYS A 51 39.118 -1.818 -5.241 1.00 0.00 C ATOM 759 C LYS A 51 38.096 -0.801 -4.723 1.00 0.00 C ATOM 760 O LYS A 51 38.418 0.348 -4.485 1.00 0.00 O ATOM 761 CB LYS A 51 38.966 -2.017 -6.754 1.00 0.00 C ATOM 762 CG LYS A 51 40.111 -1.309 -7.484 1.00 0.00 C ATOM 763 CD LYS A 51 39.764 -1.168 -8.969 1.00 0.00 C ATOM 764 CE LYS A 51 39.153 0.212 -9.224 1.00 0.00 C ATOM 765 NZ LYS A 51 38.715 0.181 -10.649 1.00 0.00 N ATOM 0 H LYS A 51 38.390 -3.828 -5.258 1.00 0.00 H new ATOM 0 HA LYS A 51 40.105 -1.435 -4.982 1.00 0.00 H new ATOM 0 HB2 LYS A 51 38.971 -3.080 -6.993 1.00 0.00 H new ATOM 0 HB3 LYS A 51 38.008 -1.620 -7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 51 40.283 -0.326 -7.045 1.00 0.00 H new ATOM 0 HG3 LYS A 51 41.035 -1.876 -7.368 1.00 0.00 H new ATOM 0 HD2 LYS A 51 40.660 -1.298 -9.576 1.00 0.00 H new ATOM 0 HD3 LYS A 51 39.062 -1.948 -9.265 1.00 0.00 H new ATOM 0 HE2 LYS A 51 38.312 0.401 -8.556 1.00 0.00 H new ATOM 0 HE3 LYS A 51 39.881 1.004 -9.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 38.285 1.094 -10.900 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 39.537 0.006 -11.261 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 38.017 -0.579 -10.781 1.00 0.00 H new ATOM 779 N GLN A 52 36.867 -1.219 -4.546 1.00 0.00 N ATOM 780 CA GLN A 52 35.816 -0.281 -4.040 1.00 0.00 C ATOM 781 C GLN A 52 36.170 0.203 -2.629 1.00 0.00 C ATOM 782 O GLN A 52 35.750 1.265 -2.208 1.00 0.00 O ATOM 783 CB GLN A 52 34.522 -1.098 -4.015 1.00 0.00 C ATOM 784 CG GLN A 52 33.781 -0.939 -5.350 1.00 0.00 C ATOM 785 CD GLN A 52 32.285 -0.752 -5.092 1.00 0.00 C ATOM 786 OE1 GLN A 52 31.563 -1.712 -4.910 1.00 0.00 O ATOM 787 NE2 GLN A 52 31.786 0.454 -5.065 1.00 0.00 N ATOM 0 H GLN A 52 36.546 -2.169 -4.730 1.00 0.00 H new ATOM 0 HA GLN A 52 35.724 0.605 -4.668 1.00 0.00 H new ATOM 0 HB2 GLN A 52 34.748 -2.149 -3.837 1.00 0.00 H new ATOM 0 HB3 GLN A 52 33.887 -0.765 -3.194 1.00 0.00 H new ATOM 0 HG2 GLN A 52 34.175 -0.082 -5.896 1.00 0.00 H new ATOM 0 HG3 GLN A 52 33.945 -1.817 -5.974 1.00 0.00 H new ATOM 0 HE21 GLN A 52 32.392 1.260 -5.218 1.00 0.00 H new ATOM 0 HE22 GLN A 52 30.790 0.590 -4.891 1.00 0.00 H new ATOM 796 N GLU A 53 36.933 -0.569 -1.899 1.00 0.00 N ATOM 797 CA GLU A 53 37.315 -0.161 -0.513 1.00 0.00 C ATOM 798 C GLU A 53 38.470 0.846 -0.552 1.00 0.00 C ATOM 799 O GLU A 53 38.433 1.867 0.106 1.00 0.00 O ATOM 800 CB GLU A 53 37.754 -1.455 0.175 1.00 0.00 C ATOM 801 CG GLU A 53 37.570 -1.322 1.689 1.00 0.00 C ATOM 802 CD GLU A 53 37.747 -2.692 2.346 1.00 0.00 C ATOM 803 OE1 GLU A 53 38.844 -3.221 2.281 1.00 0.00 O ATOM 804 OE2 GLU A 53 36.782 -3.190 2.902 1.00 0.00 O ATOM 0 H GLU A 53 37.309 -1.467 -2.204 1.00 0.00 H new ATOM 0 HA GLU A 53 36.493 0.323 0.014 1.00 0.00 H new ATOM 0 HB2 GLU A 53 37.168 -2.294 -0.200 1.00 0.00 H new ATOM 0 HB3 GLU A 53 38.798 -1.666 -0.057 1.00 0.00 H new ATOM 0 HG2 GLU A 53 38.295 -0.616 2.094 1.00 0.00 H new ATOM 0 HG3 GLU A 53 36.580 -0.925 1.912 1.00 0.00 H new ATOM 811 N CYS A 54 39.495 0.561 -1.318 1.00 0.00 N ATOM 812 CA CYS A 54 40.662 1.498 -1.404 1.00 0.00 C ATOM 813 C CYS A 54 40.206 2.874 -1.896 1.00 0.00 C ATOM 814 O CYS A 54 40.701 3.894 -1.457 1.00 0.00 O ATOM 815 CB CYS A 54 41.621 0.859 -2.415 1.00 0.00 C ATOM 816 SG CYS A 54 43.134 1.853 -2.535 1.00 0.00 S ATOM 0 H CYS A 54 39.575 -0.281 -1.889 1.00 0.00 H new ATOM 0 HA CYS A 54 41.136 1.648 -0.434 1.00 0.00 H new ATOM 0 HB2 CYS A 54 41.866 -0.157 -2.107 1.00 0.00 H new ATOM 0 HB3 CYS A 54 41.142 0.789 -3.392 1.00 0.00 H new ATOM 821 N LEU A 55 39.270 2.903 -2.807 1.00 0.00 N ATOM 822 CA LEU A 55 38.776 4.209 -3.339 1.00 0.00 C ATOM 823 C LEU A 55 37.852 4.878 -2.319 1.00 0.00 C ATOM 824 O LEU A 55 38.086 5.987 -1.884 1.00 0.00 O ATOM 825 CB LEU A 55 38.000 3.854 -4.610 1.00 0.00 C ATOM 826 CG LEU A 55 38.933 3.165 -5.609 1.00 0.00 C ATOM 827 CD1 LEU A 55 38.123 2.697 -6.820 1.00 0.00 C ATOM 828 CD2 LEU A 55 40.022 4.148 -6.064 1.00 0.00 C ATOM 0 H LEU A 55 38.825 2.077 -3.207 1.00 0.00 H new ATOM 0 HA LEU A 55 39.589 4.906 -3.540 1.00 0.00 H new ATOM 0 HB2 LEU A 55 37.164 3.198 -4.366 1.00 0.00 H new ATOM 0 HB3 LEU A 55 37.578 4.756 -5.054 1.00 0.00 H new ATOM 0 HG LEU A 55 39.404 2.305 -5.132 1.00 0.00 H new ATOM 0 HD11 LEU A 55 38.785 2.206 -7.533 1.00 0.00 H new ATOM 0 HD12 LEU A 55 37.355 1.995 -6.495 1.00 0.00 H new ATOM 0 HD13 LEU A 55 37.651 3.556 -7.296 1.00 0.00 H new ATOM 0 HD21 LEU A 55 40.684 3.654 -6.775 1.00 0.00 H new ATOM 0 HD22 LEU A 55 39.557 5.011 -6.540 1.00 0.00 H new ATOM 0 HD23 LEU A 55 40.599 4.478 -5.200 1.00 0.00 H new ATOM 840 N ARG A 56 36.805 4.204 -1.928 1.00 0.00 N ATOM 841 CA ARG A 56 35.850 4.790 -0.930 1.00 0.00 C ATOM 842 C ARG A 56 36.580 5.198 0.357 1.00 0.00 C ATOM 843 O ARG A 56 36.081 5.991 1.133 1.00 0.00 O ATOM 844 CB ARG A 56 34.843 3.675 -0.640 1.00 0.00 C ATOM 845 CG ARG A 56 33.697 4.226 0.218 1.00 0.00 C ATOM 846 CD ARG A 56 33.943 3.879 1.690 1.00 0.00 C ATOM 847 NE ARG A 56 32.962 4.702 2.450 1.00 0.00 N ATOM 848 CZ ARG A 56 32.559 4.314 3.629 1.00 0.00 C ATOM 849 NH1 ARG A 56 33.387 4.323 4.636 1.00 0.00 N ATOM 850 NH2 ARG A 56 31.328 3.915 3.800 1.00 0.00 N ATOM 0 H ARG A 56 36.565 3.268 -2.255 1.00 0.00 H new ATOM 0 HA ARG A 56 35.371 5.691 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 56 34.451 3.274 -1.574 1.00 0.00 H new ATOM 0 HB3 ARG A 56 35.336 2.852 -0.122 1.00 0.00 H new ATOM 0 HG2 ARG A 56 33.625 5.307 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 56 32.747 3.804 -0.112 1.00 0.00 H new ATOM 0 HD2 ARG A 56 33.793 2.815 1.875 1.00 0.00 H new ATOM 0 HD3 ARG A 56 34.966 4.112 1.985 1.00 0.00 H new ATOM 0 HE ARG A 56 32.605 5.569 2.049 1.00 0.00 H new ATOM 0 HH11 ARG A 56 34.349 4.633 4.502 1.00 0.00 H new ATOM 0 HH12 ARG A 56 33.072 4.020 5.558 1.00 0.00 H new ATOM 0 HH21 ARG A 56 30.681 3.906 3.012 1.00 0.00 H new ATOM 0 HH22 ARG A 56 31.014 3.612 4.722 1.00 0.00 H new ATOM 864 N ALA A 57 37.748 4.654 0.591 1.00 0.00 N ATOM 865 CA ALA A 57 38.505 4.996 1.831 1.00 0.00 C ATOM 866 C ALA A 57 39.359 6.259 1.644 1.00 0.00 C ATOM 867 O ALA A 57 39.135 7.261 2.296 1.00 0.00 O ATOM 868 CB ALA A 57 39.399 3.784 2.083 1.00 0.00 C ATOM 0 H ALA A 57 38.210 3.986 -0.026 1.00 0.00 H new ATOM 0 HA ALA A 57 37.834 5.208 2.664 1.00 0.00 H new ATOM 0 HB1 ALA A 57 39.994 3.951 2.981 1.00 0.00 H new ATOM 0 HB2 ALA A 57 38.780 2.897 2.218 1.00 0.00 H new ATOM 0 HB3 ALA A 57 40.062 3.638 1.231 1.00 0.00 H new ATOM 874 N CYS A 58 40.349 6.212 0.780 1.00 0.00 N ATOM 875 CA CYS A 58 41.231 7.413 0.584 1.00 0.00 C ATOM 876 C CYS A 58 40.716 8.318 -0.545 1.00 0.00 C ATOM 877 O CYS A 58 40.844 9.526 -0.474 1.00 0.00 O ATOM 878 CB CYS A 58 42.620 6.860 0.249 1.00 0.00 C ATOM 879 SG CYS A 58 43.560 6.607 1.785 1.00 0.00 S ATOM 0 H CYS A 58 40.584 5.402 0.206 1.00 0.00 H new ATOM 0 HA CYS A 58 41.248 8.034 1.480 1.00 0.00 H new ATOM 0 HB2 CYS A 58 42.527 5.918 -0.292 1.00 0.00 H new ATOM 0 HB3 CYS A 58 43.151 7.552 -0.405 1.00 0.00 H new ATOM 884 N LYS A 59 40.136 7.757 -1.581 1.00 0.00 N ATOM 885 CA LYS A 59 39.619 8.611 -2.700 1.00 0.00 C ATOM 886 C LYS A 59 38.333 9.321 -2.264 1.00 0.00 C ATOM 887 O LYS A 59 38.210 10.527 -2.379 1.00 0.00 O ATOM 888 CB LYS A 59 39.334 7.657 -3.865 1.00 0.00 C ATOM 889 CG LYS A 59 39.256 8.453 -5.174 1.00 0.00 C ATOM 890 CD LYS A 59 40.578 8.337 -5.939 1.00 0.00 C ATOM 891 CE LYS A 59 41.434 9.583 -5.687 1.00 0.00 C ATOM 892 NZ LYS A 59 42.701 9.333 -6.431 1.00 0.00 N ATOM 0 H LYS A 59 39.999 6.753 -1.700 1.00 0.00 H new ATOM 0 HA LYS A 59 40.337 9.380 -2.985 1.00 0.00 H new ATOM 0 HB2 LYS A 59 40.119 6.904 -3.932 1.00 0.00 H new ATOM 0 HB3 LYS A 59 38.397 7.127 -3.693 1.00 0.00 H new ATOM 0 HG2 LYS A 59 38.437 8.079 -5.788 1.00 0.00 H new ATOM 0 HG3 LYS A 59 39.041 9.500 -4.960 1.00 0.00 H new ATOM 0 HD2 LYS A 59 41.116 7.444 -5.620 1.00 0.00 H new ATOM 0 HD3 LYS A 59 40.383 8.228 -7.006 1.00 0.00 H new ATOM 0 HE2 LYS A 59 40.936 10.484 -6.046 1.00 0.00 H new ATOM 0 HE3 LYS A 59 41.622 9.725 -4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 43.342 10.143 -6.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 43.156 8.473 -6.063 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 42.491 9.208 -7.442 1.00 0.00 H new ATOM 906 N LYS A 60 37.378 8.580 -1.763 1.00 0.00 N ATOM 907 CA LYS A 60 36.094 9.203 -1.315 1.00 0.00 C ATOM 908 C LYS A 60 36.072 9.343 0.211 1.00 0.00 C ATOM 909 O LYS A 60 35.022 9.321 0.829 1.00 0.00 O ATOM 910 CB LYS A 60 35.003 8.234 -1.780 1.00 0.00 C ATOM 911 CG LYS A 60 33.725 9.012 -2.103 1.00 0.00 C ATOM 912 CD LYS A 60 32.519 8.069 -2.035 1.00 0.00 C ATOM 913 CE LYS A 60 32.560 7.093 -3.214 1.00 0.00 C ATOM 914 NZ LYS A 60 31.436 6.147 -2.966 1.00 0.00 N ATOM 0 H LYS A 60 37.431 7.568 -1.644 1.00 0.00 H new ATOM 0 HA LYS A 60 35.956 10.204 -1.725 1.00 0.00 H new ATOM 0 HB2 LYS A 60 35.340 7.688 -2.661 1.00 0.00 H new ATOM 0 HB3 LYS A 60 34.804 7.495 -1.003 1.00 0.00 H new ATOM 0 HG2 LYS A 60 33.598 9.833 -1.397 1.00 0.00 H new ATOM 0 HG3 LYS A 60 33.798 9.455 -3.096 1.00 0.00 H new ATOM 0 HD2 LYS A 60 32.528 7.519 -1.094 1.00 0.00 H new ATOM 0 HD3 LYS A 60 31.593 8.644 -2.059 1.00 0.00 H new ATOM 0 HE2 LYS A 60 32.436 7.614 -4.163 1.00 0.00 H new ATOM 0 HE3 LYS A 60 33.515 6.569 -3.261 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 31.397 5.445 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 31.585 5.661 -2.059 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 30.540 6.674 -2.933 1.00 0.00 H new ATOM 928 N GLY A 61 37.222 9.483 0.819 1.00 0.00 N ATOM 929 CA GLY A 61 37.280 9.622 2.307 1.00 0.00 C ATOM 930 C GLY A 61 36.759 11.000 2.721 1.00 0.00 C ATOM 931 O GLY A 61 37.564 11.914 2.812 1.00 0.00 O ATOM 932 OXT GLY A 61 35.566 11.118 2.946 1.00 0.00 O ATOM 0 H GLY A 61 38.127 9.507 0.348 1.00 0.00 H new ATOM 0 HA2 GLY A 61 36.683 8.841 2.778 1.00 0.00 H new ATOM 0 HA3 GLY A 61 38.305 9.492 2.654 1.00 0.00 H new TER 936 GLY A 61