USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 586 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -118:sc= 0.149 (180deg=-0.247) USER MOD Single : A 8 CYS SG : rot 35:sc= -4.78! USER MOD Single : A 16 LYS NZ :NH3+ 164:sc= 0 (180deg=-0.234) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot -125:sc= 0.248 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.043 USER MOD Single : A 35 TYR OH : rot -135:sc= -2.44! USER MOD Single : A 36 GLN : amide:sc= -0.35 X(o=-0.35,f=-0.083) USER MOD Single : A 37 SER OG : rot 22:sc= 0.115! USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -121:sc= 0.1 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 56:sc= -5.29! USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 CYS SG : rot 11:sc= 0.078 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0.0115 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 70 CYS SG : rot 37:sc= 0.489 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -149:sc= -0.156 (180deg=-0.863) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 46.695 -7.993 -0.829 1.00 0.00 N ATOM 2 CA MET A 1 47.587 -7.218 0.078 1.00 0.00 C ATOM 3 C MET A 1 46.808 -6.050 0.688 1.00 0.00 C ATOM 4 O MET A 1 46.506 -6.040 1.864 1.00 0.00 O ATOM 5 CB MET A 1 48.775 -6.673 -0.718 1.00 0.00 C ATOM 6 CG MET A 1 49.551 -7.836 -1.339 1.00 0.00 C ATOM 7 SD MET A 1 49.261 -7.869 -3.126 1.00 0.00 S ATOM 8 CE MET A 1 50.753 -8.785 -3.580 1.00 0.00 C ATOM 0 H1 MET A 1 46.597 -8.965 -0.472 1.00 0.00 H new ATOM 0 H2 MET A 1 45.759 -7.541 -0.864 1.00 0.00 H new ATOM 0 H3 MET A 1 47.105 -8.014 -1.784 1.00 0.00 H new ATOM 0 HA MET A 1 47.948 -7.870 0.873 1.00 0.00 H new ATOM 0 HB2 MET A 1 48.424 -5.998 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 1 49.428 -6.093 -0.066 1.00 0.00 H new ATOM 0 HG2 MET A 1 50.616 -7.727 -1.135 1.00 0.00 H new ATOM 0 HG3 MET A 1 49.235 -8.778 -0.891 1.00 0.00 H new ATOM 0 HE1 MET A 1 50.781 -8.923 -4.661 1.00 0.00 H new ATOM 0 HE2 MET A 1 51.634 -8.226 -3.263 1.00 0.00 H new ATOM 0 HE3 MET A 1 50.745 -9.759 -3.090 1.00 0.00 H new ATOM 18 N ALA A 2 46.483 -5.066 -0.105 1.00 0.00 N ATOM 19 CA ALA A 2 45.725 -3.899 0.428 1.00 0.00 C ATOM 20 C ALA A 2 46.670 -3.005 1.234 1.00 0.00 C ATOM 21 O ALA A 2 47.844 -3.288 1.369 1.00 0.00 O ATOM 22 CB ALA A 2 44.591 -4.393 1.329 1.00 0.00 C ATOM 0 H ALA A 2 46.709 -5.020 -1.098 1.00 0.00 H new ATOM 0 HA ALA A 2 45.304 -3.329 -0.400 1.00 0.00 H new ATOM 0 HB1 ALA A 2 44.037 -3.539 1.718 1.00 0.00 H new ATOM 0 HB2 ALA A 2 43.919 -5.029 0.753 1.00 0.00 H new ATOM 0 HB3 ALA A 2 45.008 -4.964 2.159 1.00 0.00 H new ATOM 28 N GLU A 3 46.169 -1.925 1.767 1.00 0.00 N ATOM 29 CA GLU A 3 47.039 -1.012 2.560 1.00 0.00 C ATOM 30 C GLU A 3 46.898 -1.334 4.049 1.00 0.00 C ATOM 31 O GLU A 3 45.910 -1.003 4.673 1.00 0.00 O ATOM 32 CB GLU A 3 46.614 0.437 2.309 1.00 0.00 C ATOM 33 CG GLU A 3 47.776 1.209 1.683 1.00 0.00 C ATOM 34 CD GLU A 3 47.308 1.872 0.387 1.00 0.00 C ATOM 35 OE1 GLU A 3 46.953 1.149 -0.530 1.00 0.00 O ATOM 36 OE2 GLU A 3 47.311 3.090 0.333 1.00 0.00 O ATOM 0 H GLU A 3 45.194 -1.635 1.688 1.00 0.00 H new ATOM 0 HA GLU A 3 48.078 -1.146 2.258 1.00 0.00 H new ATOM 0 HB2 GLU A 3 45.748 0.464 1.648 1.00 0.00 H new ATOM 0 HB3 GLU A 3 46.314 0.907 3.246 1.00 0.00 H new ATOM 0 HG2 GLU A 3 48.142 1.964 2.379 1.00 0.00 H new ATOM 0 HG3 GLU A 3 48.607 0.534 1.479 1.00 0.00 H new ATOM 43 N ASP A 4 47.879 -1.977 4.625 1.00 0.00 N ATOM 44 CA ASP A 4 47.794 -2.315 6.075 1.00 0.00 C ATOM 45 C ASP A 4 49.178 -2.197 6.710 1.00 0.00 C ATOM 46 O ASP A 4 49.414 -2.673 7.802 1.00 0.00 O ATOM 47 CB ASP A 4 47.278 -3.747 6.238 1.00 0.00 C ATOM 48 CG ASP A 4 45.749 -3.750 6.179 1.00 0.00 C ATOM 49 OD1 ASP A 4 45.147 -2.956 6.882 1.00 0.00 O ATOM 50 OD2 ASP A 4 45.207 -4.547 5.431 1.00 0.00 O ATOM 0 H ASP A 4 48.732 -2.282 4.156 1.00 0.00 H new ATOM 0 HA ASP A 4 47.109 -1.624 6.567 1.00 0.00 H new ATOM 0 HB2 ASP A 4 47.684 -4.383 5.451 1.00 0.00 H new ATOM 0 HB3 ASP A 4 47.616 -4.161 7.188 1.00 0.00 H new ATOM 55 N TRP A 5 50.087 -1.556 6.033 1.00 0.00 N ATOM 56 CA TRP A 5 51.465 -1.388 6.584 1.00 0.00 C ATOM 57 C TRP A 5 51.992 -2.735 7.092 1.00 0.00 C ATOM 58 O TRP A 5 51.632 -3.193 8.158 1.00 0.00 O ATOM 59 CB TRP A 5 51.429 -0.384 7.736 1.00 0.00 C ATOM 60 CG TRP A 5 50.840 0.901 7.249 1.00 0.00 C ATOM 61 CD1 TRP A 5 49.527 1.222 7.298 1.00 0.00 C ATOM 62 CD2 TRP A 5 51.517 2.037 6.638 1.00 0.00 C ATOM 63 NE1 TRP A 5 49.355 2.483 6.757 1.00 0.00 N ATOM 64 CE2 TRP A 5 50.552 3.027 6.336 1.00 0.00 C ATOM 65 CE3 TRP A 5 52.860 2.302 6.320 1.00 0.00 C ATOM 66 CZ2 TRP A 5 50.908 4.237 5.740 1.00 0.00 C ATOM 67 CZ3 TRP A 5 53.222 3.519 5.720 1.00 0.00 C ATOM 68 CH2 TRP A 5 52.248 4.484 5.431 1.00 0.00 C ATOM 0 H TRP A 5 49.937 -1.137 5.115 1.00 0.00 H new ATOM 0 HA TRP A 5 52.126 -1.021 5.799 1.00 0.00 H new ATOM 0 HB2 TRP A 5 50.837 -0.780 8.561 1.00 0.00 H new ATOM 0 HB3 TRP A 5 52.436 -0.215 8.119 1.00 0.00 H new ATOM 0 HD1 TRP A 5 48.741 0.596 7.695 1.00 0.00 H new ATOM 0 HE1 TRP A 5 48.454 2.954 6.679 1.00 0.00 H new ATOM 0 HE3 TRP A 5 53.619 1.565 6.538 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 50.153 4.977 5.519 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 54.257 3.712 5.480 1.00 0.00 H new ATOM 0 HH2 TRP A 5 52.533 5.418 4.970 1.00 0.00 H new ATOM 79 N LEU A 6 52.847 -3.372 6.338 1.00 0.00 N ATOM 80 CA LEU A 6 53.392 -4.686 6.784 1.00 0.00 C ATOM 81 C LEU A 6 54.814 -4.500 7.317 1.00 0.00 C ATOM 82 O LEU A 6 55.523 -3.596 6.923 1.00 0.00 O ATOM 83 CB LEU A 6 53.409 -5.656 5.601 1.00 0.00 C ATOM 84 CG LEU A 6 52.028 -5.680 4.943 1.00 0.00 C ATOM 85 CD1 LEU A 6 52.174 -6.015 3.457 1.00 0.00 C ATOM 86 CD2 LEU A 6 51.159 -6.741 5.621 1.00 0.00 C ATOM 0 H LEU A 6 53.190 -3.041 5.436 1.00 0.00 H new ATOM 0 HA LEU A 6 52.762 -5.090 7.577 1.00 0.00 H new ATOM 0 HB2 LEU A 6 54.164 -5.350 4.877 1.00 0.00 H new ATOM 0 HB3 LEU A 6 53.680 -6.656 5.940 1.00 0.00 H new ATOM 0 HG LEU A 6 51.559 -4.702 5.050 1.00 0.00 H new ATOM 0 HD11 LEU A 6 51.190 -6.032 2.989 1.00 0.00 H new ATOM 0 HD12 LEU A 6 52.793 -5.260 2.973 1.00 0.00 H new ATOM 0 HD13 LEU A 6 52.644 -6.993 3.349 1.00 0.00 H new ATOM 0 HD21 LEU A 6 50.175 -6.759 5.153 1.00 0.00 H new ATOM 0 HD22 LEU A 6 51.629 -7.719 5.515 1.00 0.00 H new ATOM 0 HD23 LEU A 6 51.053 -6.503 6.679 1.00 0.00 H new ATOM 98 N ASP A 7 55.235 -5.350 8.214 1.00 0.00 N ATOM 99 CA ASP A 7 56.610 -5.224 8.777 1.00 0.00 C ATOM 100 C ASP A 7 57.623 -5.110 7.636 1.00 0.00 C ATOM 101 O ASP A 7 57.606 -5.884 6.700 1.00 0.00 O ATOM 102 CB ASP A 7 56.930 -6.460 9.620 1.00 0.00 C ATOM 103 CG ASP A 7 55.771 -6.739 10.579 1.00 0.00 C ATOM 104 OD1 ASP A 7 55.798 -6.211 11.678 1.00 0.00 O ATOM 105 OD2 ASP A 7 54.877 -7.476 10.198 1.00 0.00 O ATOM 0 H ASP A 7 54.686 -6.127 8.582 1.00 0.00 H new ATOM 0 HA ASP A 7 56.665 -4.332 9.401 1.00 0.00 H new ATOM 0 HB2 ASP A 7 57.096 -7.321 8.973 1.00 0.00 H new ATOM 0 HB3 ASP A 7 57.851 -6.302 10.182 1.00 0.00 H new ATOM 110 N CYS A 8 58.504 -4.148 7.706 1.00 0.00 N ATOM 111 CA CYS A 8 59.517 -3.978 6.626 1.00 0.00 C ATOM 112 C CYS A 8 60.687 -4.948 6.858 1.00 0.00 C ATOM 113 O CYS A 8 61.410 -4.816 7.826 1.00 0.00 O ATOM 114 CB CYS A 8 60.035 -2.539 6.654 1.00 0.00 C ATOM 115 SG CYS A 8 61.486 -2.393 5.587 1.00 0.00 S ATOM 0 H CYS A 8 58.565 -3.471 8.467 1.00 0.00 H new ATOM 0 HA CYS A 8 59.062 -4.190 5.658 1.00 0.00 H new ATOM 0 HB2 CYS A 8 59.255 -1.855 6.319 1.00 0.00 H new ATOM 0 HB3 CYS A 8 60.292 -2.255 7.674 1.00 0.00 H new ATOM 0 HG CYS A 8 61.347 -3.173 4.556 1.00 0.00 H new ATOM 121 N PRO A 9 60.842 -5.897 5.963 1.00 0.00 N ATOM 122 CA PRO A 9 61.918 -6.901 6.051 1.00 0.00 C ATOM 123 C PRO A 9 63.243 -6.330 5.532 1.00 0.00 C ATOM 124 O PRO A 9 64.244 -6.347 6.221 1.00 0.00 O ATOM 125 CB PRO A 9 61.429 -8.030 5.140 1.00 0.00 C ATOM 126 CG PRO A 9 60.419 -7.390 4.155 1.00 0.00 C ATOM 127 CD PRO A 9 59.960 -6.063 4.790 1.00 0.00 C ATOM 0 HA PRO A 9 62.109 -7.226 7.074 1.00 0.00 H new ATOM 0 HB2 PRO A 9 62.262 -8.484 4.602 1.00 0.00 H new ATOM 0 HB3 PRO A 9 60.956 -8.821 5.722 1.00 0.00 H new ATOM 0 HG2 PRO A 9 60.883 -7.214 3.185 1.00 0.00 H new ATOM 0 HG3 PRO A 9 59.570 -8.052 3.987 1.00 0.00 H new ATOM 0 HD2 PRO A 9 60.064 -5.231 4.093 1.00 0.00 H new ATOM 0 HD3 PRO A 9 58.911 -6.104 5.083 1.00 0.00 H new ATOM 135 N ALA A 10 63.255 -5.840 4.318 1.00 0.00 N ATOM 136 CA ALA A 10 64.511 -5.278 3.737 1.00 0.00 C ATOM 137 C ALA A 10 65.298 -4.522 4.810 1.00 0.00 C ATOM 138 O ALA A 10 66.436 -4.837 5.097 1.00 0.00 O ATOM 139 CB ALA A 10 64.159 -4.320 2.598 1.00 0.00 C ATOM 0 H ALA A 10 62.443 -5.805 3.701 1.00 0.00 H new ATOM 0 HA ALA A 10 65.123 -6.096 3.357 1.00 0.00 H new ATOM 0 HB1 ALA A 10 65.074 -3.909 2.173 1.00 0.00 H new ATOM 0 HB2 ALA A 10 63.610 -4.859 1.826 1.00 0.00 H new ATOM 0 HB3 ALA A 10 63.541 -3.509 2.983 1.00 0.00 H new ATOM 145 N LEU A 11 64.701 -3.527 5.402 1.00 0.00 N ATOM 146 CA LEU A 11 65.412 -2.747 6.454 1.00 0.00 C ATOM 147 C LEU A 11 65.378 -3.515 7.773 1.00 0.00 C ATOM 148 O LEU A 11 66.403 -3.834 8.343 1.00 0.00 O ATOM 149 CB LEU A 11 64.722 -1.393 6.639 1.00 0.00 C ATOM 150 CG LEU A 11 64.596 -0.688 5.287 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.280 0.791 5.512 1.00 0.00 C ATOM 152 CD2 LEU A 11 65.914 -0.815 4.518 1.00 0.00 C ATOM 0 H LEU A 11 63.749 -3.219 5.203 1.00 0.00 H new ATOM 0 HA LEU A 11 66.447 -2.592 6.150 1.00 0.00 H new ATOM 0 HB2 LEU A 11 63.735 -1.534 7.079 1.00 0.00 H new ATOM 0 HB3 LEU A 11 65.294 -0.774 7.330 1.00 0.00 H new ATOM 0 HG LEU A 11 63.794 -1.149 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 11 64.190 1.294 4.549 1.00 0.00 H new ATOM 0 HD12 LEU A 11 63.342 0.883 6.059 1.00 0.00 H new ATOM 0 HD13 LEU A 11 65.083 1.251 6.088 1.00 0.00 H new ATOM 0 HD21 LEU A 11 65.823 -0.312 3.555 1.00 0.00 H new ATOM 0 HD22 LEU A 11 66.717 -0.354 5.094 1.00 0.00 H new ATOM 0 HD23 LEU A 11 66.141 -1.869 4.357 1.00 0.00 H new ATOM 164 N GLY A 12 64.210 -3.815 8.268 1.00 0.00 N ATOM 165 CA GLY A 12 64.124 -4.560 9.552 1.00 0.00 C ATOM 166 C GLY A 12 63.132 -3.857 10.485 1.00 0.00 C ATOM 167 O GLY A 12 62.106 -3.379 10.044 1.00 0.00 O ATOM 0 H GLY A 12 63.315 -3.577 7.840 1.00 0.00 H new ATOM 0 HA2 GLY A 12 63.803 -5.586 9.369 1.00 0.00 H new ATOM 0 HA3 GLY A 12 65.107 -4.612 10.021 1.00 0.00 H new ATOM 171 N PRO A 13 63.469 -3.815 11.750 1.00 0.00 N ATOM 172 CA PRO A 13 62.624 -3.175 12.774 1.00 0.00 C ATOM 173 C PRO A 13 62.774 -1.652 12.717 1.00 0.00 C ATOM 174 O PRO A 13 63.861 -1.130 12.567 1.00 0.00 O ATOM 175 CB PRO A 13 63.175 -3.729 14.091 1.00 0.00 C ATOM 176 CG PRO A 13 64.625 -4.184 13.799 1.00 0.00 C ATOM 177 CD PRO A 13 64.719 -4.401 12.277 1.00 0.00 C ATOM 0 HA PRO A 13 61.562 -3.380 12.642 1.00 0.00 H new ATOM 0 HB2 PRO A 13 63.156 -2.968 14.871 1.00 0.00 H new ATOM 0 HB3 PRO A 13 62.570 -4.563 14.445 1.00 0.00 H new ATOM 0 HG2 PRO A 13 65.341 -3.431 14.128 1.00 0.00 H new ATOM 0 HG3 PRO A 13 64.859 -5.103 14.337 1.00 0.00 H new ATOM 0 HD2 PRO A 13 65.597 -3.909 11.858 1.00 0.00 H new ATOM 0 HD3 PRO A 13 64.798 -5.460 12.030 1.00 0.00 H new ATOM 185 N GLY A 14 61.690 -0.936 12.838 1.00 0.00 N ATOM 186 CA GLY A 14 61.770 0.551 12.795 1.00 0.00 C ATOM 187 C GLY A 14 61.389 1.048 11.399 1.00 0.00 C ATOM 188 O GLY A 14 61.626 2.188 11.051 1.00 0.00 O ATOM 0 H GLY A 14 60.752 -1.317 12.965 1.00 0.00 H new ATOM 0 HA2 GLY A 14 61.102 0.982 13.540 1.00 0.00 H new ATOM 0 HA3 GLY A 14 62.779 0.878 13.045 1.00 0.00 H new ATOM 192 N TRP A 15 60.804 0.203 10.595 1.00 0.00 N ATOM 193 CA TRP A 15 60.414 0.633 9.224 1.00 0.00 C ATOM 194 C TRP A 15 59.153 -0.121 8.790 1.00 0.00 C ATOM 195 O TRP A 15 59.024 -1.312 9.002 1.00 0.00 O ATOM 196 CB TRP A 15 61.557 0.321 8.257 1.00 0.00 C ATOM 197 CG TRP A 15 61.587 1.336 7.158 1.00 0.00 C ATOM 198 CD1 TRP A 15 61.336 1.071 5.856 1.00 0.00 C ATOM 199 CD2 TRP A 15 61.881 2.763 7.234 1.00 0.00 C ATOM 200 NE1 TRP A 15 61.463 2.241 5.130 1.00 0.00 N ATOM 201 CE2 TRP A 15 61.794 3.311 5.934 1.00 0.00 C ATOM 202 CE3 TRP A 15 62.210 3.625 8.292 1.00 0.00 C ATOM 203 CZ2 TRP A 15 62.028 4.665 5.691 1.00 0.00 C ATOM 204 CZ3 TRP A 15 62.447 4.990 8.053 1.00 0.00 C ATOM 205 CH2 TRP A 15 62.355 5.508 6.754 1.00 0.00 C ATOM 0 H TRP A 15 60.580 -0.764 10.828 1.00 0.00 H new ATOM 0 HA TRP A 15 60.212 1.704 9.218 1.00 0.00 H new ATOM 0 HB2 TRP A 15 62.507 0.323 8.791 1.00 0.00 H new ATOM 0 HB3 TRP A 15 61.428 -0.677 7.838 1.00 0.00 H new ATOM 0 HD1 TRP A 15 61.079 0.104 5.450 1.00 0.00 H new ATOM 0 HE1 TRP A 15 61.328 2.305 4.121 1.00 0.00 H new ATOM 0 HE3 TRP A 15 62.282 3.237 9.297 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 61.957 5.058 4.687 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 62.701 5.643 8.875 1.00 0.00 H new ATOM 0 HH2 TRP A 15 62.537 6.558 6.576 1.00 0.00 H new ATOM 216 N LYS A 16 58.223 0.563 8.184 1.00 0.00 N ATOM 217 CA LYS A 16 56.973 -0.111 7.735 1.00 0.00 C ATOM 218 C LYS A 16 56.962 -0.191 6.207 1.00 0.00 C ATOM 219 O LYS A 16 57.170 0.791 5.523 1.00 0.00 O ATOM 220 CB LYS A 16 55.762 0.691 8.215 1.00 0.00 C ATOM 221 CG LYS A 16 54.877 -0.195 9.093 1.00 0.00 C ATOM 222 CD LYS A 16 55.735 -0.884 10.156 1.00 0.00 C ATOM 223 CE LYS A 16 55.019 -0.827 11.507 1.00 0.00 C ATOM 224 NZ LYS A 16 53.704 -1.520 11.402 1.00 0.00 N ATOM 0 H LYS A 16 58.275 1.561 7.980 1.00 0.00 H new ATOM 0 HA LYS A 16 56.929 -1.117 8.152 1.00 0.00 H new ATOM 0 HB2 LYS A 16 56.091 1.565 8.777 1.00 0.00 H new ATOM 0 HB3 LYS A 16 55.193 1.057 7.360 1.00 0.00 H new ATOM 0 HG2 LYS A 16 54.102 0.406 9.570 1.00 0.00 H new ATOM 0 HG3 LYS A 16 54.370 -0.941 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 16 55.919 -1.921 9.874 1.00 0.00 H new ATOM 0 HD3 LYS A 16 56.707 -0.395 10.227 1.00 0.00 H new ATOM 0 HE2 LYS A 16 55.631 -1.300 12.275 1.00 0.00 H new ATOM 0 HE3 LYS A 16 54.873 0.210 11.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 53.341 -1.722 12.355 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 53.030 -0.910 10.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 53.822 -2.412 10.880 1.00 0.00 H new ATOM 238 N ARG A 17 56.723 -1.355 5.666 1.00 0.00 N ATOM 239 CA ARG A 17 56.701 -1.497 4.181 1.00 0.00 C ATOM 240 C ARG A 17 55.252 -1.460 3.687 1.00 0.00 C ATOM 241 O ARG A 17 54.549 -2.451 3.719 1.00 0.00 O ATOM 242 CB ARG A 17 57.342 -2.833 3.791 1.00 0.00 C ATOM 243 CG ARG A 17 57.943 -2.731 2.386 1.00 0.00 C ATOM 244 CD ARG A 17 59.469 -2.836 2.470 1.00 0.00 C ATOM 245 NE ARG A 17 60.023 -1.557 2.994 1.00 0.00 N ATOM 246 CZ ARG A 17 61.290 -1.280 2.844 1.00 0.00 C ATOM 247 NH1 ARG A 17 62.102 -2.172 2.345 1.00 0.00 N ATOM 248 NH2 ARG A 17 61.745 -0.111 3.198 1.00 0.00 N ATOM 0 H ARG A 17 56.542 -2.213 6.187 1.00 0.00 H new ATOM 0 HA ARG A 17 57.259 -0.679 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 17 58.118 -3.098 4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 17 56.596 -3.627 3.820 1.00 0.00 H new ATOM 0 HG2 ARG A 17 57.548 -3.525 1.752 1.00 0.00 H new ATOM 0 HG3 ARG A 17 57.658 -1.785 1.926 1.00 0.00 H new ATOM 0 HD2 ARG A 17 59.753 -3.662 3.122 1.00 0.00 H new ATOM 0 HD3 ARG A 17 59.885 -3.049 1.485 1.00 0.00 H new ATOM 0 HE ARG A 17 59.411 -0.895 3.471 1.00 0.00 H new ATOM 0 HH11 ARG A 17 61.747 -3.088 2.071 1.00 0.00 H new ATOM 0 HH12 ARG A 17 63.091 -1.953 2.229 1.00 0.00 H new ATOM 0 HH21 ARG A 17 61.112 0.585 3.591 1.00 0.00 H new ATOM 0 HH22 ARG A 17 62.734 0.108 3.082 1.00 0.00 H new ATOM 262 N ARG A 18 54.800 -0.323 3.230 1.00 0.00 N ATOM 263 CA ARG A 18 53.399 -0.222 2.731 1.00 0.00 C ATOM 264 C ARG A 18 53.400 -0.284 1.202 1.00 0.00 C ATOM 265 O ARG A 18 54.192 0.363 0.547 1.00 0.00 O ATOM 266 CB ARG A 18 52.786 1.104 3.187 1.00 0.00 C ATOM 267 CG ARG A 18 51.296 1.126 2.841 1.00 0.00 C ATOM 268 CD ARG A 18 51.004 2.304 1.908 1.00 0.00 C ATOM 269 NE ARG A 18 50.093 3.266 2.590 1.00 0.00 N ATOM 270 CZ ARG A 18 49.945 4.472 2.115 1.00 0.00 C ATOM 271 NH1 ARG A 18 49.142 4.684 1.108 1.00 0.00 N ATOM 272 NH2 ARG A 18 50.603 5.467 2.644 1.00 0.00 N ATOM 0 H ARG A 18 55.341 0.540 3.181 1.00 0.00 H new ATOM 0 HA ARG A 18 52.811 -1.048 3.130 1.00 0.00 H new ATOM 0 HB2 ARG A 18 52.922 1.229 4.261 1.00 0.00 H new ATOM 0 HB3 ARG A 18 53.295 1.937 2.702 1.00 0.00 H new ATOM 0 HG2 ARG A 18 51.009 0.190 2.362 1.00 0.00 H new ATOM 0 HG3 ARG A 18 50.702 1.213 3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 18 51.934 2.801 1.631 1.00 0.00 H new ATOM 0 HD3 ARG A 18 50.547 1.946 0.985 1.00 0.00 H new ATOM 0 HE ARG A 18 49.585 2.982 3.428 1.00 0.00 H new ATOM 0 HH11 ARG A 18 48.630 3.906 0.692 1.00 0.00 H new ATOM 0 HH12 ARG A 18 49.027 5.627 0.737 1.00 0.00 H new ATOM 0 HH21 ARG A 18 51.233 5.302 3.429 1.00 0.00 H new ATOM 0 HH22 ARG A 18 50.487 6.410 2.273 1.00 0.00 H new ATOM 286 N GLU A 19 52.518 -1.055 0.627 1.00 0.00 N ATOM 287 CA GLU A 19 52.473 -1.152 -0.859 1.00 0.00 C ATOM 288 C GLU A 19 51.145 -0.584 -1.365 1.00 0.00 C ATOM 289 O GLU A 19 50.169 -0.527 -0.643 1.00 0.00 O ATOM 290 CB GLU A 19 52.596 -2.619 -1.278 1.00 0.00 C ATOM 291 CG GLU A 19 51.399 -3.407 -0.741 1.00 0.00 C ATOM 292 CD GLU A 19 51.057 -4.539 -1.712 1.00 0.00 C ATOM 293 OE1 GLU A 19 50.392 -4.267 -2.699 1.00 0.00 O ATOM 294 OE2 GLU A 19 51.466 -5.659 -1.453 1.00 0.00 O ATOM 0 H GLU A 19 51.828 -1.621 1.121 1.00 0.00 H new ATOM 0 HA GLU A 19 53.298 -0.583 -1.287 1.00 0.00 H new ATOM 0 HB2 GLU A 19 52.637 -2.695 -2.365 1.00 0.00 H new ATOM 0 HB3 GLU A 19 53.524 -3.041 -0.894 1.00 0.00 H new ATOM 0 HG2 GLU A 19 51.630 -3.815 0.243 1.00 0.00 H new ATOM 0 HG3 GLU A 19 50.541 -2.747 -0.619 1.00 0.00 H new ATOM 301 N VAL A 20 51.098 -0.160 -2.599 1.00 0.00 N ATOM 302 CA VAL A 20 49.831 0.405 -3.144 1.00 0.00 C ATOM 303 C VAL A 20 49.518 -0.252 -4.489 1.00 0.00 C ATOM 304 O VAL A 20 50.290 -1.038 -5.002 1.00 0.00 O ATOM 305 CB VAL A 20 49.989 1.915 -3.336 1.00 0.00 C ATOM 306 CG1 VAL A 20 48.611 2.560 -3.495 1.00 0.00 C ATOM 307 CG2 VAL A 20 50.691 2.511 -2.113 1.00 0.00 C ATOM 0 H VAL A 20 51.881 -0.180 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 20 49.015 0.211 -2.447 1.00 0.00 H new ATOM 0 HB VAL A 20 50.583 2.106 -4.230 1.00 0.00 H new ATOM 0 HG11 VAL A 20 48.726 3.635 -3.632 1.00 0.00 H new ATOM 0 HG12 VAL A 20 48.109 2.136 -4.364 1.00 0.00 H new ATOM 0 HG13 VAL A 20 48.015 2.369 -2.603 1.00 0.00 H new ATOM 0 HG21 VAL A 20 50.805 3.587 -2.247 1.00 0.00 H new ATOM 0 HG22 VAL A 20 50.095 2.318 -1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 20 51.674 2.054 -1.999 1.00 0.00 H new ATOM 317 N PHE A 21 48.389 0.059 -5.064 1.00 0.00 N ATOM 318 CA PHE A 21 48.029 -0.552 -6.374 1.00 0.00 C ATOM 319 C PHE A 21 47.934 0.540 -7.442 1.00 0.00 C ATOM 320 O PHE A 21 46.861 0.997 -7.782 1.00 0.00 O ATOM 321 CB PHE A 21 46.680 -1.264 -6.247 1.00 0.00 C ATOM 322 CG PHE A 21 46.826 -2.706 -6.673 1.00 0.00 C ATOM 323 CD1 PHE A 21 47.974 -3.428 -6.325 1.00 0.00 C ATOM 324 CD2 PHE A 21 45.812 -3.321 -7.417 1.00 0.00 C ATOM 325 CE1 PHE A 21 48.108 -4.764 -6.720 1.00 0.00 C ATOM 326 CE2 PHE A 21 45.946 -4.658 -7.812 1.00 0.00 C ATOM 327 CZ PHE A 21 47.094 -5.379 -7.464 1.00 0.00 C ATOM 0 H PHE A 21 47.701 0.709 -4.684 1.00 0.00 H new ATOM 0 HA PHE A 21 48.795 -1.271 -6.663 1.00 0.00 H new ATOM 0 HB2 PHE A 21 46.326 -1.213 -5.217 1.00 0.00 H new ATOM 0 HB3 PHE A 21 45.934 -0.765 -6.866 1.00 0.00 H new ATOM 0 HD1 PHE A 21 48.757 -2.954 -5.751 1.00 0.00 H new ATOM 0 HD2 PHE A 21 44.926 -2.764 -7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 21 48.994 -5.320 -6.451 1.00 0.00 H new ATOM 0 HE2 PHE A 21 45.163 -5.133 -8.385 1.00 0.00 H new ATOM 0 HZ PHE A 21 47.198 -6.410 -7.769 1.00 0.00 H new ATOM 337 N ARG A 22 49.049 0.959 -7.976 1.00 0.00 N ATOM 338 CA ARG A 22 49.021 2.018 -9.023 1.00 0.00 C ATOM 339 C ARG A 22 47.943 1.683 -10.055 1.00 0.00 C ATOM 340 O ARG A 22 47.019 2.441 -10.270 1.00 0.00 O ATOM 341 CB ARG A 22 50.384 2.089 -9.714 1.00 0.00 C ATOM 342 CG ARG A 22 50.340 3.146 -10.820 1.00 0.00 C ATOM 343 CD ARG A 22 50.275 4.539 -10.191 1.00 0.00 C ATOM 344 NE ARG A 22 49.748 5.512 -11.189 1.00 0.00 N ATOM 345 CZ ARG A 22 49.000 6.507 -10.796 1.00 0.00 C ATOM 346 NH1 ARG A 22 49.244 7.098 -9.659 1.00 0.00 N ATOM 347 NH2 ARG A 22 48.007 6.910 -11.540 1.00 0.00 N ATOM 0 H ARG A 22 49.977 0.614 -7.732 1.00 0.00 H new ATOM 0 HA ARG A 22 48.798 2.980 -8.562 1.00 0.00 H new ATOM 0 HB2 ARG A 22 51.159 2.338 -8.989 1.00 0.00 H new ATOM 0 HB3 ARG A 22 50.642 1.117 -10.135 1.00 0.00 H new ATOM 0 HG2 ARG A 22 51.223 3.062 -11.453 1.00 0.00 H new ATOM 0 HG3 ARG A 22 49.472 2.983 -11.459 1.00 0.00 H new ATOM 0 HD2 ARG A 22 49.633 4.522 -9.310 1.00 0.00 H new ATOM 0 HD3 ARG A 22 51.266 4.845 -9.857 1.00 0.00 H new ATOM 0 HE ARG A 22 49.971 5.401 -12.178 1.00 0.00 H new ATOM 0 HH11 ARG A 22 50.020 6.783 -9.076 1.00 0.00 H new ATOM 0 HH12 ARG A 22 48.659 7.875 -9.352 1.00 0.00 H new ATOM 0 HH21 ARG A 22 47.815 6.448 -12.429 1.00 0.00 H new ATOM 0 HH22 ARG A 22 47.422 7.687 -11.233 1.00 0.00 H new ATOM 361 N LYS A 23 48.054 0.551 -10.695 1.00 0.00 N ATOM 362 CA LYS A 23 47.034 0.167 -11.711 1.00 0.00 C ATOM 363 C LYS A 23 47.047 1.185 -12.853 1.00 0.00 C ATOM 364 O LYS A 23 46.266 2.114 -12.878 1.00 0.00 O ATOM 365 CB LYS A 23 45.649 0.148 -11.061 1.00 0.00 C ATOM 366 CG LYS A 23 44.789 -0.933 -11.720 1.00 0.00 C ATOM 367 CD LYS A 23 43.924 -0.303 -12.814 1.00 0.00 C ATOM 368 CE LYS A 23 42.498 -0.113 -12.291 1.00 0.00 C ATOM 369 NZ LYS A 23 42.077 1.301 -12.498 1.00 0.00 N ATOM 0 H LYS A 23 48.806 -0.124 -10.558 1.00 0.00 H new ATOM 0 HA LYS A 23 47.265 -0.824 -12.103 1.00 0.00 H new ATOM 0 HB2 LYS A 23 45.740 -0.046 -9.992 1.00 0.00 H new ATOM 0 HB3 LYS A 23 45.172 1.122 -11.168 1.00 0.00 H new ATOM 0 HG2 LYS A 23 45.425 -1.709 -12.147 1.00 0.00 H new ATOM 0 HG3 LYS A 23 44.157 -1.414 -10.974 1.00 0.00 H new ATOM 0 HD2 LYS A 23 44.343 0.657 -13.116 1.00 0.00 H new ATOM 0 HD3 LYS A 23 43.917 -0.940 -13.698 1.00 0.00 H new ATOM 0 HE2 LYS A 23 41.816 -0.786 -12.810 1.00 0.00 H new ATOM 0 HE3 LYS A 23 42.451 -0.366 -11.232 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 41.108 1.430 -12.143 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 42.722 1.934 -11.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 42.107 1.527 -13.513 1.00 0.00 H new ATOM 383 N SER A 24 47.929 1.017 -13.800 1.00 0.00 N ATOM 384 CA SER A 24 47.990 1.975 -14.939 1.00 0.00 C ATOM 385 C SER A 24 47.985 1.200 -16.258 1.00 0.00 C ATOM 386 O SER A 24 48.913 1.276 -17.037 1.00 0.00 O ATOM 387 CB SER A 24 49.272 2.803 -14.839 1.00 0.00 C ATOM 388 OG SER A 24 50.322 1.984 -14.341 1.00 0.00 O ATOM 0 H SER A 24 48.610 0.258 -13.834 1.00 0.00 H new ATOM 0 HA SER A 24 47.125 2.638 -14.904 1.00 0.00 H new ATOM 0 HB2 SER A 24 49.539 3.201 -15.818 1.00 0.00 H new ATOM 0 HB3 SER A 24 49.117 3.657 -14.179 1.00 0.00 H new ATOM 0 HG SER A 24 51.146 2.511 -14.277 1.00 0.00 H new ATOM 394 N GLY A 25 46.946 0.452 -16.514 1.00 0.00 N ATOM 395 CA GLY A 25 46.884 -0.328 -17.782 1.00 0.00 C ATOM 396 C GLY A 25 46.826 -1.821 -17.459 1.00 0.00 C ATOM 397 O GLY A 25 46.518 -2.215 -16.351 1.00 0.00 O ATOM 0 H GLY A 25 46.138 0.348 -15.900 1.00 0.00 H new ATOM 0 HA2 GLY A 25 46.007 -0.035 -18.359 1.00 0.00 H new ATOM 0 HA3 GLY A 25 47.757 -0.112 -18.398 1.00 0.00 H new ATOM 401 N ALA A 26 47.119 -2.657 -18.416 1.00 0.00 N ATOM 402 CA ALA A 26 47.080 -4.123 -18.159 1.00 0.00 C ATOM 403 C ALA A 26 48.465 -4.601 -17.716 1.00 0.00 C ATOM 404 O ALA A 26 49.119 -5.359 -18.404 1.00 0.00 O ATOM 405 CB ALA A 26 46.674 -4.854 -19.440 1.00 0.00 C ATOM 0 H ALA A 26 47.383 -2.388 -19.364 1.00 0.00 H new ATOM 0 HA ALA A 26 46.355 -4.335 -17.374 1.00 0.00 H new ATOM 0 HB1 ALA A 26 46.645 -5.927 -19.253 1.00 0.00 H new ATOM 0 HB2 ALA A 26 45.688 -4.514 -19.756 1.00 0.00 H new ATOM 0 HB3 ALA A 26 47.399 -4.642 -20.225 1.00 0.00 H new ATOM 411 N THR A 27 48.916 -4.166 -16.571 1.00 0.00 N ATOM 412 CA THR A 27 50.258 -4.598 -16.088 1.00 0.00 C ATOM 413 C THR A 27 50.143 -5.101 -14.648 1.00 0.00 C ATOM 414 O THR A 27 50.366 -4.369 -13.704 1.00 0.00 O ATOM 415 CB THR A 27 51.226 -3.415 -16.141 1.00 0.00 C ATOM 416 OG1 THR A 27 51.289 -2.917 -17.470 1.00 0.00 O ATOM 417 CG2 THR A 27 52.618 -3.870 -15.698 1.00 0.00 C ATOM 0 H THR A 27 48.414 -3.531 -15.950 1.00 0.00 H new ATOM 0 HA THR A 27 50.632 -5.400 -16.724 1.00 0.00 H new ATOM 0 HB THR A 27 50.875 -2.628 -15.473 1.00 0.00 H new ATOM 0 HG1 THR A 27 51.908 -2.158 -17.506 1.00 0.00 H new ATOM 0 HG21 THR A 27 53.306 -3.026 -15.737 1.00 0.00 H new ATOM 0 HG22 THR A 27 52.569 -4.252 -14.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 52.972 -4.657 -16.363 1.00 0.00 H new ATOM 425 N CYS A 28 49.796 -6.347 -14.472 1.00 0.00 N ATOM 426 CA CYS A 28 49.665 -6.898 -13.094 1.00 0.00 C ATOM 427 C CYS A 28 51.055 -7.068 -12.479 1.00 0.00 C ATOM 428 O CYS A 28 51.659 -8.119 -12.564 1.00 0.00 O ATOM 429 CB CYS A 28 48.963 -8.256 -13.156 1.00 0.00 C ATOM 430 SG CYS A 28 48.421 -8.732 -11.496 1.00 0.00 S ATOM 0 H CYS A 28 49.598 -7.007 -15.224 1.00 0.00 H new ATOM 0 HA CYS A 28 49.079 -6.213 -12.481 1.00 0.00 H new ATOM 0 HB2 CYS A 28 48.107 -8.204 -13.829 1.00 0.00 H new ATOM 0 HB3 CYS A 28 49.640 -9.009 -13.559 1.00 0.00 H new ATOM 0 HG CYS A 28 47.823 -9.885 -11.549 1.00 0.00 H new ATOM 436 N GLY A 29 51.567 -6.040 -11.859 1.00 0.00 N ATOM 437 CA GLY A 29 52.918 -6.138 -11.238 1.00 0.00 C ATOM 438 C GLY A 29 53.380 -4.745 -10.808 1.00 0.00 C ATOM 439 O GLY A 29 54.051 -4.583 -9.809 1.00 0.00 O ATOM 0 H GLY A 29 51.107 -5.135 -11.756 1.00 0.00 H new ATOM 0 HA2 GLY A 29 52.887 -6.805 -10.377 1.00 0.00 H new ATOM 0 HA3 GLY A 29 53.627 -6.566 -11.947 1.00 0.00 H new ATOM 443 N ARG A 30 53.021 -3.736 -11.555 1.00 0.00 N ATOM 444 CA ARG A 30 53.434 -2.353 -11.190 1.00 0.00 C ATOM 445 C ARG A 30 52.672 -1.910 -9.940 1.00 0.00 C ATOM 446 O ARG A 30 51.554 -2.324 -9.706 1.00 0.00 O ATOM 447 CB ARG A 30 53.109 -1.404 -12.346 1.00 0.00 C ATOM 448 CG ARG A 30 54.400 -0.766 -12.862 1.00 0.00 C ATOM 449 CD ARG A 30 54.263 0.757 -12.832 1.00 0.00 C ATOM 450 NE ARG A 30 55.334 1.335 -11.972 1.00 0.00 N ATOM 451 CZ ARG A 30 55.300 2.599 -11.649 1.00 0.00 C ATOM 452 NH1 ARG A 30 54.154 3.193 -11.457 1.00 0.00 N ATOM 453 NH2 ARG A 30 56.412 3.268 -11.517 1.00 0.00 N ATOM 0 H ARG A 30 52.459 -3.811 -12.403 1.00 0.00 H new ATOM 0 HA ARG A 30 54.506 -2.332 -10.991 1.00 0.00 H new ATOM 0 HB2 ARG A 30 52.614 -1.949 -13.150 1.00 0.00 H new ATOM 0 HB3 ARG A 30 52.417 -0.631 -12.012 1.00 0.00 H new ATOM 0 HG2 ARG A 30 55.244 -1.078 -12.247 1.00 0.00 H new ATOM 0 HG3 ARG A 30 54.604 -1.104 -13.878 1.00 0.00 H new ATOM 0 HD2 ARG A 30 54.336 1.159 -13.842 1.00 0.00 H new ATOM 0 HD3 ARG A 30 53.282 1.037 -12.448 1.00 0.00 H new ATOM 0 HE ARG A 30 56.093 0.743 -11.636 1.00 0.00 H new ATOM 0 HH11 ARG A 30 53.285 2.669 -11.559 1.00 0.00 H new ATOM 0 HH12 ARG A 30 54.128 4.181 -11.205 1.00 0.00 H new ATOM 0 HH21 ARG A 30 57.308 2.803 -11.666 1.00 0.00 H new ATOM 0 HH22 ARG A 30 56.386 4.256 -11.265 1.00 0.00 H new ATOM 467 N SER A 31 53.264 -1.072 -9.135 1.00 0.00 N ATOM 468 CA SER A 31 52.565 -0.609 -7.903 1.00 0.00 C ATOM 469 C SER A 31 53.454 0.377 -7.146 1.00 0.00 C ATOM 470 O SER A 31 54.646 0.179 -7.015 1.00 0.00 O ATOM 471 CB SER A 31 52.264 -1.808 -7.005 1.00 0.00 C ATOM 472 OG SER A 31 50.898 -2.172 -7.149 1.00 0.00 O ATOM 0 H SER A 31 54.199 -0.689 -9.276 1.00 0.00 H new ATOM 0 HA SER A 31 51.633 -0.118 -8.183 1.00 0.00 H new ATOM 0 HB2 SER A 31 52.906 -2.647 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 31 52.479 -1.561 -5.965 1.00 0.00 H new ATOM 0 HG SER A 31 50.469 -2.187 -6.268 1.00 0.00 H new ATOM 478 N ASP A 32 52.882 1.433 -6.640 1.00 0.00 N ATOM 479 CA ASP A 32 53.691 2.427 -5.883 1.00 0.00 C ATOM 480 C ASP A 32 53.912 1.912 -4.460 1.00 0.00 C ATOM 481 O ASP A 32 52.980 1.547 -3.771 1.00 0.00 O ATOM 482 CB ASP A 32 52.945 3.762 -5.836 1.00 0.00 C ATOM 483 CG ASP A 32 52.253 4.008 -7.178 1.00 0.00 C ATOM 484 OD1 ASP A 32 52.930 3.949 -8.192 1.00 0.00 O ATOM 485 OD2 ASP A 32 51.057 4.249 -7.171 1.00 0.00 O ATOM 0 H ASP A 32 51.889 1.651 -6.718 1.00 0.00 H new ATOM 0 HA ASP A 32 54.653 2.570 -6.374 1.00 0.00 H new ATOM 0 HB2 ASP A 32 52.209 3.751 -5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 32 53.641 4.572 -5.620 1.00 0.00 H new ATOM 490 N THR A 33 55.137 1.871 -4.015 1.00 0.00 N ATOM 491 CA THR A 33 55.411 1.371 -2.638 1.00 0.00 C ATOM 492 C THR A 33 55.970 2.510 -1.782 1.00 0.00 C ATOM 493 O THR A 33 56.860 3.228 -2.191 1.00 0.00 O ATOM 494 CB THR A 33 56.433 0.234 -2.709 1.00 0.00 C ATOM 495 OG1 THR A 33 55.889 -0.843 -3.459 1.00 0.00 O ATOM 496 CG2 THR A 33 56.770 -0.245 -1.296 1.00 0.00 C ATOM 0 H THR A 33 55.959 2.161 -4.544 1.00 0.00 H new ATOM 0 HA THR A 33 54.487 1.005 -2.191 1.00 0.00 H new ATOM 0 HB THR A 33 57.341 0.593 -3.193 1.00 0.00 H new ATOM 0 HG1 THR A 33 56.543 -1.571 -3.507 1.00 0.00 H new ATOM 0 HG21 THR A 33 57.498 -1.055 -1.350 1.00 0.00 H new ATOM 0 HG22 THR A 33 57.189 0.582 -0.722 1.00 0.00 H new ATOM 0 HG23 THR A 33 55.864 -0.604 -0.808 1.00 0.00 H new ATOM 504 N TYR A 34 55.454 2.679 -0.595 1.00 0.00 N ATOM 505 CA TYR A 34 55.954 3.770 0.288 1.00 0.00 C ATOM 506 C TYR A 34 56.281 3.197 1.669 1.00 0.00 C ATOM 507 O TYR A 34 55.666 2.252 2.120 1.00 0.00 O ATOM 508 CB TYR A 34 54.875 4.847 0.427 1.00 0.00 C ATOM 509 CG TYR A 34 54.516 5.389 -0.936 1.00 0.00 C ATOM 510 CD1 TYR A 34 55.524 5.820 -1.807 1.00 0.00 C ATOM 511 CD2 TYR A 34 53.174 5.464 -1.328 1.00 0.00 C ATOM 512 CE1 TYR A 34 55.189 6.326 -3.069 1.00 0.00 C ATOM 513 CE2 TYR A 34 52.839 5.969 -2.590 1.00 0.00 C ATOM 514 CZ TYR A 34 53.847 6.400 -3.461 1.00 0.00 C ATOM 515 OH TYR A 34 53.517 6.899 -4.705 1.00 0.00 O ATOM 0 H TYR A 34 54.707 2.108 -0.199 1.00 0.00 H new ATOM 0 HA TYR A 34 56.852 4.208 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 34 53.990 4.429 0.907 1.00 0.00 H new ATOM 0 HB3 TYR A 34 55.233 5.654 1.067 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.559 5.762 -1.506 1.00 0.00 H new ATOM 0 HD2 TYR A 34 52.396 5.132 -0.656 1.00 0.00 H new ATOM 0 HE1 TYR A 34 55.966 6.659 -3.740 1.00 0.00 H new ATOM 0 HE2 TYR A 34 51.804 6.026 -2.892 1.00 0.00 H new ATOM 0 HH TYR A 34 52.544 6.880 -4.818 1.00 0.00 H new ATOM 525 N TYR A 35 57.242 3.764 2.345 1.00 0.00 N ATOM 526 CA TYR A 35 57.603 3.253 3.698 1.00 0.00 C ATOM 527 C TYR A 35 57.266 4.318 4.744 1.00 0.00 C ATOM 528 O TYR A 35 57.229 5.497 4.451 1.00 0.00 O ATOM 529 CB TYR A 35 59.100 2.946 3.746 1.00 0.00 C ATOM 530 CG TYR A 35 59.461 2.052 2.586 1.00 0.00 C ATOM 531 CD1 TYR A 35 58.551 1.087 2.143 1.00 0.00 C ATOM 532 CD2 TYR A 35 60.701 2.190 1.950 1.00 0.00 C ATOM 533 CE1 TYR A 35 58.878 0.261 1.061 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.029 1.363 0.870 1.00 0.00 C ATOM 535 CZ TYR A 35 60.117 0.399 0.425 1.00 0.00 C ATOM 536 OH TYR A 35 60.438 -0.414 -0.642 1.00 0.00 O ATOM 0 H TYR A 35 57.793 4.558 2.020 1.00 0.00 H new ATOM 0 HA TYR A 35 57.042 2.343 3.907 1.00 0.00 H new ATOM 0 HB2 TYR A 35 59.675 3.871 3.700 1.00 0.00 H new ATOM 0 HB3 TYR A 35 59.354 2.460 4.688 1.00 0.00 H new ATOM 0 HD1 TYR A 35 57.596 0.979 2.636 1.00 0.00 H new ATOM 0 HD2 TYR A 35 61.404 2.935 2.293 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.174 -0.483 0.717 1.00 0.00 H new ATOM 0 HE2 TYR A 35 61.986 1.468 0.380 1.00 0.00 H new ATOM 0 HH TYR A 35 61.352 -0.751 -0.533 1.00 0.00 H new ATOM 546 N GLN A 36 57.018 3.916 5.960 1.00 0.00 N ATOM 547 CA GLN A 36 56.682 4.913 7.015 1.00 0.00 C ATOM 548 C GLN A 36 57.534 4.652 8.258 1.00 0.00 C ATOM 549 O GLN A 36 57.567 3.556 8.783 1.00 0.00 O ATOM 550 CB GLN A 36 55.198 4.795 7.375 1.00 0.00 C ATOM 551 CG GLN A 36 54.916 5.575 8.661 1.00 0.00 C ATOM 552 CD GLN A 36 53.793 6.585 8.408 1.00 0.00 C ATOM 553 OE1 GLN A 36 52.653 6.342 8.753 1.00 0.00 O ATOM 554 NE2 GLN A 36 54.070 7.714 7.816 1.00 0.00 N ATOM 0 H GLN A 36 57.033 2.944 6.268 1.00 0.00 H new ATOM 0 HA GLN A 36 56.886 5.917 6.643 1.00 0.00 H new ATOM 0 HB2 GLN A 36 54.585 5.182 6.561 1.00 0.00 H new ATOM 0 HB3 GLN A 36 54.928 3.747 7.507 1.00 0.00 H new ATOM 0 HG2 GLN A 36 54.631 4.890 9.460 1.00 0.00 H new ATOM 0 HG3 GLN A 36 55.817 6.092 8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 36 55.027 7.917 7.527 1.00 0.00 H new ATOM 0 HE22 GLN A 36 53.330 8.394 7.642 1.00 0.00 H new ATOM 563 N SER A 37 58.224 5.653 8.732 1.00 0.00 N ATOM 564 CA SER A 37 59.072 5.467 9.942 1.00 0.00 C ATOM 565 C SER A 37 58.183 5.106 11.134 1.00 0.00 C ATOM 566 O SER A 37 56.972 5.173 11.045 1.00 0.00 O ATOM 567 CB SER A 37 59.821 6.766 10.241 1.00 0.00 C ATOM 568 OG SER A 37 61.214 6.561 10.046 1.00 0.00 O ATOM 0 H SER A 37 58.237 6.592 8.333 1.00 0.00 H new ATOM 0 HA SER A 37 59.789 4.665 9.766 1.00 0.00 H new ATOM 0 HB2 SER A 37 59.464 7.563 9.589 1.00 0.00 H new ATOM 0 HB3 SER A 37 59.628 7.083 11.266 1.00 0.00 H new ATOM 0 HG SER A 37 61.352 5.796 9.449 1.00 0.00 H new ATOM 574 N PRO A 38 58.813 4.735 12.219 1.00 0.00 N ATOM 575 CA PRO A 38 58.108 4.357 13.455 1.00 0.00 C ATOM 576 C PRO A 38 57.640 5.607 14.209 1.00 0.00 C ATOM 577 O PRO A 38 57.131 5.524 15.309 1.00 0.00 O ATOM 578 CB PRO A 38 59.171 3.602 14.257 1.00 0.00 C ATOM 579 CG PRO A 38 60.543 4.071 13.715 1.00 0.00 C ATOM 580 CD PRO A 38 60.286 4.655 12.313 1.00 0.00 C ATOM 0 HA PRO A 38 57.214 3.761 13.273 1.00 0.00 H new ATOM 0 HB2 PRO A 38 59.080 3.817 15.322 1.00 0.00 H new ATOM 0 HB3 PRO A 38 59.054 2.525 14.139 1.00 0.00 H new ATOM 0 HG2 PRO A 38 60.983 4.821 14.372 1.00 0.00 H new ATOM 0 HG3 PRO A 38 61.245 3.239 13.665 1.00 0.00 H new ATOM 0 HD2 PRO A 38 60.746 5.637 12.200 1.00 0.00 H new ATOM 0 HD3 PRO A 38 60.701 4.016 11.533 1.00 0.00 H new ATOM 588 N THR A 39 57.808 6.763 13.626 1.00 0.00 N ATOM 589 CA THR A 39 57.371 8.012 14.312 1.00 0.00 C ATOM 590 C THR A 39 56.238 8.663 13.516 1.00 0.00 C ATOM 591 O THR A 39 55.527 9.514 14.012 1.00 0.00 O ATOM 592 CB THR A 39 58.551 8.983 14.406 1.00 0.00 C ATOM 593 OG1 THR A 39 58.079 10.260 14.814 1.00 0.00 O ATOM 594 CG2 THR A 39 59.230 9.100 13.040 1.00 0.00 C ATOM 0 H THR A 39 58.228 6.896 12.706 1.00 0.00 H new ATOM 0 HA THR A 39 57.018 7.770 15.315 1.00 0.00 H new ATOM 0 HB THR A 39 59.271 8.611 15.135 1.00 0.00 H new ATOM 0 HG1 THR A 39 58.833 10.883 14.876 1.00 0.00 H new ATOM 0 HG21 THR A 39 60.070 9.792 13.109 1.00 0.00 H new ATOM 0 HG22 THR A 39 59.592 8.120 12.728 1.00 0.00 H new ATOM 0 HG23 THR A 39 58.513 9.472 12.308 1.00 0.00 H new ATOM 602 N GLY A 40 56.062 8.266 12.285 1.00 0.00 N ATOM 603 CA GLY A 40 54.974 8.861 11.458 1.00 0.00 C ATOM 604 C GLY A 40 55.563 9.432 10.166 1.00 0.00 C ATOM 605 O GLY A 40 54.867 10.024 9.366 1.00 0.00 O ATOM 0 H GLY A 40 56.624 7.556 11.816 1.00 0.00 H new ATOM 0 HA2 GLY A 40 54.226 8.104 11.224 1.00 0.00 H new ATOM 0 HA3 GLY A 40 54.468 9.648 12.017 1.00 0.00 H new ATOM 609 N ASP A 41 56.840 9.259 9.956 1.00 0.00 N ATOM 610 CA ASP A 41 57.469 9.793 8.716 1.00 0.00 C ATOM 611 C ASP A 41 57.120 8.882 7.539 1.00 0.00 C ATOM 612 O ASP A 41 56.803 7.722 7.713 1.00 0.00 O ATOM 613 CB ASP A 41 58.988 9.841 8.894 1.00 0.00 C ATOM 614 CG ASP A 41 59.506 11.227 8.501 1.00 0.00 C ATOM 615 OD1 ASP A 41 58.892 11.847 7.649 1.00 0.00 O ATOM 616 OD2 ASP A 41 60.508 11.642 9.058 1.00 0.00 O ATOM 0 H ASP A 41 57.474 8.771 10.589 1.00 0.00 H new ATOM 0 HA ASP A 41 57.096 10.799 8.521 1.00 0.00 H new ATOM 0 HB2 ASP A 41 59.250 9.623 9.929 1.00 0.00 H new ATOM 0 HB3 ASP A 41 59.461 9.076 8.278 1.00 0.00 H new ATOM 621 N ARG A 42 57.174 9.396 6.341 1.00 0.00 N ATOM 622 CA ARG A 42 56.842 8.558 5.154 1.00 0.00 C ATOM 623 C ARG A 42 57.758 8.935 3.986 1.00 0.00 C ATOM 624 O ARG A 42 57.808 10.074 3.567 1.00 0.00 O ATOM 625 CB ARG A 42 55.383 8.794 4.758 1.00 0.00 C ATOM 626 CG ARG A 42 55.111 10.297 4.685 1.00 0.00 C ATOM 627 CD ARG A 42 54.559 10.782 6.027 1.00 0.00 C ATOM 628 NE ARG A 42 53.761 12.023 5.817 1.00 0.00 N ATOM 629 CZ ARG A 42 52.480 12.026 6.069 1.00 0.00 C ATOM 630 NH1 ARG A 42 52.020 11.398 7.116 1.00 0.00 N ATOM 631 NH2 ARG A 42 51.659 12.655 5.273 1.00 0.00 N ATOM 0 H ARG A 42 57.434 10.360 6.133 1.00 0.00 H new ATOM 0 HA ARG A 42 56.987 7.506 5.400 1.00 0.00 H new ATOM 0 HB2 ARG A 42 55.177 8.329 3.794 1.00 0.00 H new ATOM 0 HB3 ARG A 42 54.718 8.328 5.485 1.00 0.00 H new ATOM 0 HG2 ARG A 42 56.029 10.832 4.443 1.00 0.00 H new ATOM 0 HG3 ARG A 42 54.398 10.510 3.888 1.00 0.00 H new ATOM 0 HD2 ARG A 42 53.937 10.009 6.477 1.00 0.00 H new ATOM 0 HD3 ARG A 42 55.377 10.976 6.720 1.00 0.00 H new ATOM 0 HE ARG A 42 54.216 12.870 5.476 1.00 0.00 H new ATOM 0 HH11 ARG A 42 52.661 10.905 7.737 1.00 0.00 H new ATOM 0 HH12 ARG A 42 51.019 11.400 7.313 1.00 0.00 H new ATOM 0 HH21 ARG A 42 52.018 13.145 4.453 1.00 0.00 H new ATOM 0 HH22 ARG A 42 50.658 12.657 5.470 1.00 0.00 H new ATOM 645 N ILE A 43 58.483 7.986 3.458 1.00 0.00 N ATOM 646 CA ILE A 43 59.396 8.287 2.318 1.00 0.00 C ATOM 647 C ILE A 43 59.143 7.293 1.183 1.00 0.00 C ATOM 648 O ILE A 43 58.703 6.182 1.404 1.00 0.00 O ATOM 649 CB ILE A 43 60.847 8.166 2.784 1.00 0.00 C ATOM 650 CG1 ILE A 43 61.065 9.059 4.008 1.00 0.00 C ATOM 651 CG2 ILE A 43 61.782 8.610 1.658 1.00 0.00 C ATOM 652 CD1 ILE A 43 61.493 8.199 5.198 1.00 0.00 C ATOM 0 H ILE A 43 58.482 7.014 3.767 1.00 0.00 H new ATOM 0 HA ILE A 43 59.209 9.300 1.962 1.00 0.00 H new ATOM 0 HB ILE A 43 61.059 7.130 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 43 61.828 9.808 3.794 1.00 0.00 H new ATOM 0 HG13 ILE A 43 60.148 9.598 4.246 1.00 0.00 H new ATOM 0 HG21 ILE A 43 62.817 8.524 1.989 1.00 0.00 H new ATOM 0 HG22 ILE A 43 61.627 7.976 0.785 1.00 0.00 H new ATOM 0 HG23 ILE A 43 61.570 9.647 1.396 1.00 0.00 H new ATOM 0 HD11 ILE A 43 61.648 8.835 6.069 1.00 0.00 H new ATOM 0 HD12 ILE A 43 60.715 7.467 5.417 1.00 0.00 H new ATOM 0 HD13 ILE A 43 62.421 7.681 4.957 1.00 0.00 H new ATOM 664 N ARG A 44 59.422 7.682 -0.031 1.00 0.00 N ATOM 665 CA ARG A 44 59.201 6.758 -1.178 1.00 0.00 C ATOM 666 C ARG A 44 60.541 6.462 -1.852 1.00 0.00 C ATOM 667 O ARG A 44 60.666 5.532 -2.625 1.00 0.00 O ATOM 668 CB ARG A 44 58.255 7.409 -2.188 1.00 0.00 C ATOM 669 CG ARG A 44 58.845 8.740 -2.654 1.00 0.00 C ATOM 670 CD ARG A 44 58.442 8.996 -4.108 1.00 0.00 C ATOM 671 NE ARG A 44 58.434 10.462 -4.371 1.00 0.00 N ATOM 672 CZ ARG A 44 59.461 11.027 -4.945 1.00 0.00 C ATOM 673 NH1 ARG A 44 60.579 11.169 -4.288 1.00 0.00 N ATOM 674 NH2 ARG A 44 59.370 11.449 -6.176 1.00 0.00 N ATOM 0 H ARG A 44 59.793 8.599 -0.278 1.00 0.00 H new ATOM 0 HA ARG A 44 58.758 5.829 -0.817 1.00 0.00 H new ATOM 0 HB2 ARG A 44 58.105 6.747 -3.041 1.00 0.00 H new ATOM 0 HB3 ARG A 44 57.277 7.571 -1.734 1.00 0.00 H new ATOM 0 HG2 ARG A 44 58.488 9.550 -2.019 1.00 0.00 H new ATOM 0 HG3 ARG A 44 59.931 8.720 -2.565 1.00 0.00 H new ATOM 0 HD2 ARG A 44 59.139 8.499 -4.783 1.00 0.00 H new ATOM 0 HD3 ARG A 44 57.455 8.576 -4.302 1.00 0.00 H new ATOM 0 HE ARG A 44 57.626 11.024 -4.103 1.00 0.00 H new ATOM 0 HH11 ARG A 44 60.651 10.838 -3.326 1.00 0.00 H new ATOM 0 HH12 ARG A 44 61.382 11.611 -4.737 1.00 0.00 H new ATOM 0 HH21 ARG A 44 58.496 11.337 -6.690 1.00 0.00 H new ATOM 0 HH22 ARG A 44 60.173 11.891 -6.624 1.00 0.00 H new ATOM 688 N SER A 45 61.548 7.241 -1.562 1.00 0.00 N ATOM 689 CA SER A 45 62.880 6.994 -2.180 1.00 0.00 C ATOM 690 C SER A 45 63.682 6.067 -1.268 1.00 0.00 C ATOM 691 O SER A 45 63.860 6.334 -0.097 1.00 0.00 O ATOM 692 CB SER A 45 63.622 8.318 -2.351 1.00 0.00 C ATOM 693 OG SER A 45 63.374 8.832 -3.652 1.00 0.00 O ATOM 0 H SER A 45 61.505 8.036 -0.925 1.00 0.00 H new ATOM 0 HA SER A 45 62.754 6.531 -3.159 1.00 0.00 H new ATOM 0 HB2 SER A 45 63.293 9.032 -1.597 1.00 0.00 H new ATOM 0 HB3 SER A 45 64.692 8.170 -2.204 1.00 0.00 H new ATOM 0 HG SER A 45 63.848 9.683 -3.763 1.00 0.00 H new ATOM 699 N LYS A 46 64.151 4.970 -1.790 1.00 0.00 N ATOM 700 CA LYS A 46 64.921 4.012 -0.949 1.00 0.00 C ATOM 701 C LYS A 46 66.171 4.684 -0.383 1.00 0.00 C ATOM 702 O LYS A 46 66.454 4.583 0.793 1.00 0.00 O ATOM 703 CB LYS A 46 65.331 2.803 -1.796 1.00 0.00 C ATOM 704 CG LYS A 46 66.477 3.188 -2.734 1.00 0.00 C ATOM 705 CD LYS A 46 66.759 2.029 -3.692 1.00 0.00 C ATOM 706 CE LYS A 46 67.399 2.567 -4.973 1.00 0.00 C ATOM 707 NZ LYS A 46 67.521 1.463 -5.967 1.00 0.00 N ATOM 0 H LYS A 46 64.034 4.694 -2.765 1.00 0.00 H new ATOM 0 HA LYS A 46 64.291 3.686 -0.121 1.00 0.00 H new ATOM 0 HB2 LYS A 46 65.640 1.982 -1.148 1.00 0.00 H new ATOM 0 HB3 LYS A 46 64.479 2.448 -2.376 1.00 0.00 H new ATOM 0 HG2 LYS A 46 66.216 4.084 -3.297 1.00 0.00 H new ATOM 0 HG3 LYS A 46 67.371 3.423 -2.157 1.00 0.00 H new ATOM 0 HD2 LYS A 46 67.422 1.305 -3.218 1.00 0.00 H new ATOM 0 HD3 LYS A 46 65.833 1.505 -3.928 1.00 0.00 H new ATOM 0 HE2 LYS A 46 66.794 3.375 -5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 46 68.382 2.984 -4.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 68.520 1.338 -6.226 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 67.158 0.581 -5.552 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 66.970 1.698 -6.817 1.00 0.00 H new ATOM 721 N VAL A 47 66.928 5.358 -1.201 1.00 0.00 N ATOM 722 CA VAL A 47 68.159 6.013 -0.689 1.00 0.00 C ATOM 723 C VAL A 47 67.787 7.295 0.060 1.00 0.00 C ATOM 724 O VAL A 47 68.444 7.679 1.007 1.00 0.00 O ATOM 725 CB VAL A 47 69.090 6.337 -1.856 1.00 0.00 C ATOM 726 CG1 VAL A 47 70.330 7.063 -1.333 1.00 0.00 C ATOM 727 CG2 VAL A 47 69.511 5.028 -2.540 1.00 0.00 C ATOM 0 H VAL A 47 66.748 5.483 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 47 68.671 5.339 -0.003 1.00 0.00 H new ATOM 0 HB VAL A 47 68.574 6.976 -2.572 1.00 0.00 H new ATOM 0 HG11 VAL A 47 70.994 7.294 -2.166 1.00 0.00 H new ATOM 0 HG12 VAL A 47 70.030 7.988 -0.841 1.00 0.00 H new ATOM 0 HG13 VAL A 47 70.851 6.425 -0.619 1.00 0.00 H new ATOM 0 HG21 VAL A 47 70.176 5.251 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 47 70.030 4.393 -1.822 1.00 0.00 H new ATOM 0 HG23 VAL A 47 68.626 4.510 -2.910 1.00 0.00 H new ATOM 737 N GLU A 48 66.733 7.957 -0.340 1.00 0.00 N ATOM 738 CA GLU A 48 66.335 9.202 0.377 1.00 0.00 C ATOM 739 C GLU A 48 66.066 8.857 1.839 1.00 0.00 C ATOM 740 O GLU A 48 66.610 9.463 2.740 1.00 0.00 O ATOM 741 CB GLU A 48 65.071 9.794 -0.247 1.00 0.00 C ATOM 742 CG GLU A 48 64.944 11.257 0.177 1.00 0.00 C ATOM 743 CD GLU A 48 63.573 11.795 -0.239 1.00 0.00 C ATOM 744 OE1 GLU A 48 63.021 11.277 -1.196 1.00 0.00 O ATOM 745 OE2 GLU A 48 63.099 12.714 0.407 1.00 0.00 O ATOM 0 H GLU A 48 66.137 7.692 -1.124 1.00 0.00 H new ATOM 0 HA GLU A 48 67.137 9.936 0.302 1.00 0.00 H new ATOM 0 HB2 GLU A 48 65.117 9.720 -1.333 1.00 0.00 H new ATOM 0 HB3 GLU A 48 64.194 9.232 0.074 1.00 0.00 H new ATOM 0 HG2 GLU A 48 65.068 11.345 1.256 1.00 0.00 H new ATOM 0 HG3 GLU A 48 65.734 11.850 -0.284 1.00 0.00 H new ATOM 752 N LEU A 49 65.248 7.870 2.086 1.00 0.00 N ATOM 753 CA LEU A 49 64.977 7.479 3.494 1.00 0.00 C ATOM 754 C LEU A 49 66.251 6.855 4.056 1.00 0.00 C ATOM 755 O LEU A 49 66.576 7.000 5.216 1.00 0.00 O ATOM 756 CB LEU A 49 63.833 6.465 3.541 1.00 0.00 C ATOM 757 CG LEU A 49 64.184 5.258 2.673 1.00 0.00 C ATOM 758 CD1 LEU A 49 64.794 4.160 3.548 1.00 0.00 C ATOM 759 CD2 LEU A 49 62.913 4.732 2.003 1.00 0.00 C ATOM 0 H LEU A 49 64.760 7.322 1.377 1.00 0.00 H new ATOM 0 HA LEU A 49 64.687 8.349 4.084 1.00 0.00 H new ATOM 0 HB2 LEU A 49 63.656 6.148 4.569 1.00 0.00 H new ATOM 0 HB3 LEU A 49 62.911 6.925 3.186 1.00 0.00 H new ATOM 0 HG LEU A 49 64.904 5.553 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 49 65.045 3.299 2.929 1.00 0.00 H new ATOM 0 HD12 LEU A 49 65.697 4.537 4.028 1.00 0.00 H new ATOM 0 HD13 LEU A 49 64.075 3.862 4.311 1.00 0.00 H new ATOM 0 HD21 LEU A 49 63.159 3.870 1.382 1.00 0.00 H new ATOM 0 HD22 LEU A 49 62.195 4.436 2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 49 62.479 5.515 1.381 1.00 0.00 H new ATOM 771 N THR A 50 66.990 6.175 3.225 1.00 0.00 N ATOM 772 CA THR A 50 68.261 5.560 3.693 1.00 0.00 C ATOM 773 C THR A 50 69.100 6.636 4.378 1.00 0.00 C ATOM 774 O THR A 50 69.321 6.603 5.572 1.00 0.00 O ATOM 775 CB THR A 50 69.027 5.011 2.492 1.00 0.00 C ATOM 776 OG1 THR A 50 68.334 3.893 1.966 1.00 0.00 O ATOM 777 CG2 THR A 50 70.430 4.588 2.926 1.00 0.00 C ATOM 0 H THR A 50 66.768 6.019 2.242 1.00 0.00 H new ATOM 0 HA THR A 50 68.051 4.749 4.391 1.00 0.00 H new ATOM 0 HB THR A 50 69.107 5.783 1.727 1.00 0.00 H new ATOM 0 HG1 THR A 50 67.414 4.151 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 50 70.974 4.197 2.067 1.00 0.00 H new ATOM 0 HG22 THR A 50 70.961 5.450 3.330 1.00 0.00 H new ATOM 0 HG23 THR A 50 70.357 3.815 3.691 1.00 0.00 H new ATOM 785 N ARG A 51 69.566 7.596 3.626 1.00 0.00 N ATOM 786 CA ARG A 51 70.389 8.680 4.235 1.00 0.00 C ATOM 787 C ARG A 51 69.660 9.238 5.461 1.00 0.00 C ATOM 788 O ARG A 51 70.275 9.673 6.414 1.00 0.00 O ATOM 789 CB ARG A 51 70.632 9.810 3.220 1.00 0.00 C ATOM 790 CG ARG A 51 69.546 9.807 2.138 1.00 0.00 C ATOM 791 CD ARG A 51 69.171 11.248 1.788 1.00 0.00 C ATOM 792 NE ARG A 51 69.413 11.485 0.337 1.00 0.00 N ATOM 793 CZ ARG A 51 70.191 12.462 -0.044 1.00 0.00 C ATOM 794 NH1 ARG A 51 70.236 13.568 0.647 1.00 0.00 N ATOM 795 NH2 ARG A 51 70.923 12.333 -1.116 1.00 0.00 N ATOM 0 H ARG A 51 69.413 7.677 2.621 1.00 0.00 H new ATOM 0 HA ARG A 51 71.353 8.268 4.532 1.00 0.00 H new ATOM 0 HB2 ARG A 51 70.639 10.772 3.733 1.00 0.00 H new ATOM 0 HB3 ARG A 51 71.612 9.688 2.759 1.00 0.00 H new ATOM 0 HG2 ARG A 51 69.904 9.287 1.249 1.00 0.00 H new ATOM 0 HG3 ARG A 51 68.668 9.267 2.491 1.00 0.00 H new ATOM 0 HD2 ARG A 51 68.124 11.431 2.028 1.00 0.00 H new ATOM 0 HD3 ARG A 51 69.761 11.944 2.385 1.00 0.00 H new ATOM 0 HE ARG A 51 68.971 10.884 -0.359 1.00 0.00 H new ATOM 0 HH11 ARG A 51 69.663 13.669 1.485 1.00 0.00 H new ATOM 0 HH12 ARG A 51 70.844 14.331 0.349 1.00 0.00 H new ATOM 0 HH21 ARG A 51 70.888 11.469 -1.657 1.00 0.00 H new ATOM 0 HH22 ARG A 51 71.531 13.096 -1.413 1.00 0.00 H new ATOM 809 N TYR A 52 68.352 9.221 5.451 1.00 0.00 N ATOM 810 CA TYR A 52 67.594 9.744 6.624 1.00 0.00 C ATOM 811 C TYR A 52 67.893 8.861 7.841 1.00 0.00 C ATOM 812 O TYR A 52 68.456 9.312 8.818 1.00 0.00 O ATOM 813 CB TYR A 52 66.090 9.735 6.313 1.00 0.00 C ATOM 814 CG TYR A 52 65.295 9.841 7.593 1.00 0.00 C ATOM 815 CD1 TYR A 52 65.255 11.051 8.295 1.00 0.00 C ATOM 816 CD2 TYR A 52 64.594 8.729 8.075 1.00 0.00 C ATOM 817 CE1 TYR A 52 64.516 11.149 9.480 1.00 0.00 C ATOM 818 CE2 TYR A 52 63.855 8.826 9.259 1.00 0.00 C ATOM 819 CZ TYR A 52 63.815 10.036 9.962 1.00 0.00 C ATOM 820 OH TYR A 52 63.087 10.132 11.130 1.00 0.00 O ATOM 0 H TYR A 52 67.779 8.869 4.684 1.00 0.00 H new ATOM 0 HA TYR A 52 67.897 10.769 6.838 1.00 0.00 H new ATOM 0 HB2 TYR A 52 65.842 10.566 5.652 1.00 0.00 H new ATOM 0 HB3 TYR A 52 65.825 8.818 5.786 1.00 0.00 H new ATOM 0 HD1 TYR A 52 65.794 11.909 7.923 1.00 0.00 H new ATOM 0 HD2 TYR A 52 64.624 7.796 7.532 1.00 0.00 H new ATOM 0 HE1 TYR A 52 64.486 12.082 10.022 1.00 0.00 H new ATOM 0 HE2 TYR A 52 63.315 7.967 9.631 1.00 0.00 H new ATOM 0 HH TYR A 52 62.661 9.270 11.322 1.00 0.00 H new ATOM 830 N LEU A 53 67.534 7.605 7.791 1.00 0.00 N ATOM 831 CA LEU A 53 67.821 6.713 8.951 1.00 0.00 C ATOM 832 C LEU A 53 69.318 6.766 9.258 1.00 0.00 C ATOM 833 O LEU A 53 69.728 6.938 10.389 1.00 0.00 O ATOM 834 CB LEU A 53 67.433 5.270 8.616 1.00 0.00 C ATOM 835 CG LEU A 53 66.129 5.250 7.819 1.00 0.00 C ATOM 836 CD1 LEU A 53 66.409 4.735 6.406 1.00 0.00 C ATOM 837 CD2 LEU A 53 65.129 4.318 8.507 1.00 0.00 C ATOM 0 H LEU A 53 67.059 7.162 7.005 1.00 0.00 H new ATOM 0 HA LEU A 53 67.244 7.048 9.813 1.00 0.00 H new ATOM 0 HB2 LEU A 53 68.228 4.795 8.040 1.00 0.00 H new ATOM 0 HB3 LEU A 53 67.317 4.694 9.534 1.00 0.00 H new ATOM 0 HG LEU A 53 65.716 6.257 7.768 1.00 0.00 H new ATOM 0 HD11 LEU A 53 65.481 4.719 5.834 1.00 0.00 H new ATOM 0 HD12 LEU A 53 67.127 5.392 5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 53 66.819 3.726 6.461 1.00 0.00 H new ATOM 0 HD21 LEU A 53 64.198 4.302 7.941 1.00 0.00 H new ATOM 0 HD22 LEU A 53 65.543 3.311 8.554 1.00 0.00 H new ATOM 0 HD23 LEU A 53 64.933 4.677 9.517 1.00 0.00 H new ATOM 849 N GLY A 54 70.138 6.618 8.254 1.00 0.00 N ATOM 850 CA GLY A 54 71.611 6.657 8.474 1.00 0.00 C ATOM 851 C GLY A 54 72.242 5.388 7.896 1.00 0.00 C ATOM 852 O GLY A 54 71.655 4.735 7.056 1.00 0.00 O ATOM 0 H GLY A 54 69.850 6.471 7.287 1.00 0.00 H new ATOM 0 HA2 GLY A 54 72.038 7.539 7.997 1.00 0.00 H new ATOM 0 HA3 GLY A 54 71.829 6.733 9.539 1.00 0.00 H new ATOM 856 N PRO A 55 73.421 5.075 8.366 1.00 0.00 N ATOM 857 CA PRO A 55 74.162 3.885 7.917 1.00 0.00 C ATOM 858 C PRO A 55 73.586 2.625 8.570 1.00 0.00 C ATOM 859 O PRO A 55 74.020 1.521 8.305 1.00 0.00 O ATOM 860 CB PRO A 55 75.594 4.152 8.392 1.00 0.00 C ATOM 861 CG PRO A 55 75.486 5.173 9.550 1.00 0.00 C ATOM 862 CD PRO A 55 74.123 5.875 9.391 1.00 0.00 C ATOM 0 HA PRO A 55 74.105 3.720 6.841 1.00 0.00 H new ATOM 0 HB2 PRO A 55 76.070 3.231 8.729 1.00 0.00 H new ATOM 0 HB3 PRO A 55 76.205 4.548 7.581 1.00 0.00 H new ATOM 0 HG2 PRO A 55 75.554 4.672 10.516 1.00 0.00 H new ATOM 0 HG3 PRO A 55 76.301 5.895 9.507 1.00 0.00 H new ATOM 0 HD2 PRO A 55 73.571 5.891 10.331 1.00 0.00 H new ATOM 0 HD3 PRO A 55 74.243 6.911 9.074 1.00 0.00 H new ATOM 870 N ALA A 56 72.608 2.783 9.421 1.00 0.00 N ATOM 871 CA ALA A 56 71.998 1.600 10.090 1.00 0.00 C ATOM 872 C ALA A 56 71.083 0.874 9.101 1.00 0.00 C ATOM 873 O ALA A 56 70.835 -0.309 9.222 1.00 0.00 O ATOM 874 CB ALA A 56 71.178 2.066 11.295 1.00 0.00 C ATOM 0 H ALA A 56 72.205 3.683 9.682 1.00 0.00 H new ATOM 0 HA ALA A 56 72.784 0.923 10.424 1.00 0.00 H new ATOM 0 HB1 ALA A 56 70.730 1.202 11.786 1.00 0.00 H new ATOM 0 HB2 ALA A 56 71.828 2.587 11.998 1.00 0.00 H new ATOM 0 HB3 ALA A 56 70.391 2.741 10.960 1.00 0.00 H new ATOM 880 N CYS A 57 70.579 1.575 8.121 1.00 0.00 N ATOM 881 CA CYS A 57 69.681 0.929 7.122 1.00 0.00 C ATOM 882 C CYS A 57 70.087 1.376 5.716 1.00 0.00 C ATOM 883 O CYS A 57 69.795 2.478 5.295 1.00 0.00 O ATOM 884 CB CYS A 57 68.233 1.344 7.394 1.00 0.00 C ATOM 885 SG CYS A 57 67.620 0.477 8.859 1.00 0.00 S ATOM 0 H CYS A 57 70.751 2.569 7.969 1.00 0.00 H new ATOM 0 HA CYS A 57 69.766 -0.155 7.199 1.00 0.00 H new ATOM 0 HB2 CYS A 57 68.175 2.422 7.546 1.00 0.00 H new ATOM 0 HB3 CYS A 57 67.608 1.109 6.532 1.00 0.00 H new ATOM 0 HG CYS A 57 68.610 -0.116 9.458 1.00 0.00 H new ATOM 891 N ASP A 58 70.766 0.532 4.987 1.00 0.00 N ATOM 892 CA ASP A 58 71.197 0.913 3.613 1.00 0.00 C ATOM 893 C ASP A 58 70.183 0.398 2.588 1.00 0.00 C ATOM 894 O ASP A 58 69.395 -0.484 2.867 1.00 0.00 O ATOM 895 CB ASP A 58 72.568 0.301 3.322 1.00 0.00 C ATOM 896 CG ASP A 58 72.557 -1.181 3.702 1.00 0.00 C ATOM 897 OD1 ASP A 58 71.517 -1.802 3.553 1.00 0.00 O ATOM 898 OD2 ASP A 58 73.587 -1.669 4.135 1.00 0.00 O ATOM 0 H ASP A 58 71.040 -0.404 5.284 1.00 0.00 H new ATOM 0 HA ASP A 58 71.257 1.999 3.544 1.00 0.00 H new ATOM 0 HB2 ASP A 58 72.812 0.415 2.266 1.00 0.00 H new ATOM 0 HB3 ASP A 58 73.339 0.826 3.885 1.00 0.00 H new ATOM 903 N LEU A 59 70.200 0.946 1.404 1.00 0.00 N ATOM 904 CA LEU A 59 69.243 0.501 0.352 1.00 0.00 C ATOM 905 C LEU A 59 69.838 0.789 -1.026 1.00 0.00 C ATOM 906 O LEU A 59 69.136 0.861 -2.015 1.00 0.00 O ATOM 907 CB LEU A 59 67.932 1.270 0.509 1.00 0.00 C ATOM 908 CG LEU A 59 67.159 0.712 1.702 1.00 0.00 C ATOM 909 CD1 LEU A 59 67.552 1.471 2.970 1.00 0.00 C ATOM 910 CD2 LEU A 59 65.659 0.877 1.456 1.00 0.00 C ATOM 0 H LEU A 59 70.840 1.687 1.119 1.00 0.00 H new ATOM 0 HA LEU A 59 69.056 -0.568 0.452 1.00 0.00 H new ATOM 0 HB2 LEU A 59 68.135 2.331 0.656 1.00 0.00 H new ATOM 0 HB3 LEU A 59 67.335 1.183 -0.399 1.00 0.00 H new ATOM 0 HG LEU A 59 67.396 -0.345 1.825 1.00 0.00 H new ATOM 0 HD11 LEU A 59 66.999 1.071 3.820 1.00 0.00 H new ATOM 0 HD12 LEU A 59 68.621 1.356 3.146 1.00 0.00 H new ATOM 0 HD13 LEU A 59 67.316 2.528 2.849 1.00 0.00 H new ATOM 0 HD21 LEU A 59 65.105 0.479 2.306 1.00 0.00 H new ATOM 0 HD22 LEU A 59 65.425 1.934 1.333 1.00 0.00 H new ATOM 0 HD23 LEU A 59 65.377 0.335 0.553 1.00 0.00 H new ATOM 922 N THR A 60 71.128 0.959 -1.097 1.00 0.00 N ATOM 923 CA THR A 60 71.770 1.249 -2.408 1.00 0.00 C ATOM 924 C THR A 60 71.246 0.276 -3.467 1.00 0.00 C ATOM 925 O THR A 60 71.006 0.649 -4.598 1.00 0.00 O ATOM 926 CB THR A 60 73.285 1.089 -2.276 1.00 0.00 C ATOM 927 OG1 THR A 60 73.740 1.817 -1.144 1.00 0.00 O ATOM 928 CG2 THR A 60 73.965 1.622 -3.537 1.00 0.00 C ATOM 0 H THR A 60 71.766 0.910 -0.303 1.00 0.00 H new ATOM 0 HA THR A 60 71.533 2.270 -2.708 1.00 0.00 H new ATOM 0 HB THR A 60 73.531 0.035 -2.151 1.00 0.00 H new ATOM 0 HG1 THR A 60 74.711 1.714 -1.057 1.00 0.00 H new ATOM 0 HG21 THR A 60 75.045 1.508 -3.444 1.00 0.00 H new ATOM 0 HG22 THR A 60 73.615 1.062 -4.404 1.00 0.00 H new ATOM 0 HG23 THR A 60 73.721 2.677 -3.664 1.00 0.00 H new ATOM 936 N LEU A 61 71.078 -0.969 -3.116 1.00 0.00 N ATOM 937 CA LEU A 61 70.583 -1.963 -4.111 1.00 0.00 C ATOM 938 C LEU A 61 69.167 -2.403 -3.745 1.00 0.00 C ATOM 939 O LEU A 61 68.600 -3.280 -4.366 1.00 0.00 O ATOM 940 CB LEU A 61 71.513 -3.179 -4.111 1.00 0.00 C ATOM 941 CG LEU A 61 72.807 -2.858 -4.878 1.00 0.00 C ATOM 942 CD1 LEU A 61 72.589 -3.116 -6.370 1.00 0.00 C ATOM 943 CD2 LEU A 61 73.200 -1.386 -4.669 1.00 0.00 C ATOM 0 H LEU A 61 71.262 -1.341 -2.184 1.00 0.00 H new ATOM 0 HA LEU A 61 70.570 -1.509 -5.102 1.00 0.00 H new ATOM 0 HB2 LEU A 61 71.750 -3.464 -3.086 1.00 0.00 H new ATOM 0 HB3 LEU A 61 71.011 -4.030 -4.571 1.00 0.00 H new ATOM 0 HG LEU A 61 73.608 -3.496 -4.503 1.00 0.00 H new ATOM 0 HD11 LEU A 61 73.505 -2.889 -6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 61 72.325 -4.162 -6.523 1.00 0.00 H new ATOM 0 HD13 LEU A 61 71.782 -2.481 -6.735 1.00 0.00 H new ATOM 0 HD21 LEU A 61 74.118 -1.173 -5.218 1.00 0.00 H new ATOM 0 HD22 LEU A 61 72.401 -0.741 -5.034 1.00 0.00 H new ATOM 0 HD23 LEU A 61 73.361 -1.200 -3.607 1.00 0.00 H new ATOM 955 N PHE A 62 68.589 -1.804 -2.744 1.00 0.00 N ATOM 956 CA PHE A 62 67.210 -2.196 -2.347 1.00 0.00 C ATOM 957 C PHE A 62 66.217 -1.697 -3.398 1.00 0.00 C ATOM 958 O PHE A 62 66.295 -0.575 -3.858 1.00 0.00 O ATOM 959 CB PHE A 62 66.875 -1.576 -0.990 1.00 0.00 C ATOM 960 CG PHE A 62 65.395 -1.710 -0.726 1.00 0.00 C ATOM 961 CD1 PHE A 62 64.879 -2.910 -0.225 1.00 0.00 C ATOM 962 CD2 PHE A 62 64.539 -0.634 -0.988 1.00 0.00 C ATOM 963 CE1 PHE A 62 63.506 -3.033 0.016 1.00 0.00 C ATOM 964 CE2 PHE A 62 63.166 -0.757 -0.746 1.00 0.00 C ATOM 965 CZ PHE A 62 62.650 -1.957 -0.244 1.00 0.00 C ATOM 0 H PHE A 62 69.010 -1.062 -2.185 1.00 0.00 H new ATOM 0 HA PHE A 62 67.146 -3.282 -2.274 1.00 0.00 H new ATOM 0 HB2 PHE A 62 67.442 -2.072 -0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 62 67.164 -0.525 -0.977 1.00 0.00 H new ATOM 0 HD1 PHE A 62 65.540 -3.741 -0.024 1.00 0.00 H new ATOM 0 HD2 PHE A 62 64.938 0.291 -1.377 1.00 0.00 H new ATOM 0 HE1 PHE A 62 63.107 -3.959 0.403 1.00 0.00 H new ATOM 0 HE2 PHE A 62 62.505 0.073 -0.947 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.591 -2.053 -0.057 1.00 0.00 H new ATOM 975 N ASP A 63 65.279 -2.521 -3.775 1.00 0.00 N ATOM 976 CA ASP A 63 64.276 -2.095 -4.788 1.00 0.00 C ATOM 977 C ASP A 63 63.023 -1.597 -4.068 1.00 0.00 C ATOM 978 O ASP A 63 62.396 -2.321 -3.320 1.00 0.00 O ATOM 979 CB ASP A 63 63.917 -3.282 -5.681 1.00 0.00 C ATOM 980 CG ASP A 63 65.198 -3.973 -6.151 1.00 0.00 C ATOM 981 OD1 ASP A 63 66.266 -3.476 -5.834 1.00 0.00 O ATOM 982 OD2 ASP A 63 65.090 -4.987 -6.820 1.00 0.00 O ATOM 0 H ASP A 63 65.164 -3.472 -3.424 1.00 0.00 H new ATOM 0 HA ASP A 63 64.689 -1.296 -5.403 1.00 0.00 H new ATOM 0 HB2 ASP A 63 63.291 -3.987 -5.133 1.00 0.00 H new ATOM 0 HB3 ASP A 63 63.338 -2.942 -6.540 1.00 0.00 H new ATOM 987 N PHE A 64 62.658 -0.365 -4.280 1.00 0.00 N ATOM 988 CA PHE A 64 61.451 0.181 -3.599 1.00 0.00 C ATOM 989 C PHE A 64 60.203 -0.533 -4.121 1.00 0.00 C ATOM 990 O PHE A 64 59.129 -0.403 -3.571 1.00 0.00 O ATOM 991 CB PHE A 64 61.339 1.678 -3.891 1.00 0.00 C ATOM 992 CG PHE A 64 60.922 2.408 -2.636 1.00 0.00 C ATOM 993 CD1 PHE A 64 59.622 2.264 -2.135 1.00 0.00 C ATOM 994 CD2 PHE A 64 61.840 3.229 -1.975 1.00 0.00 C ATOM 995 CE1 PHE A 64 59.244 2.945 -0.970 1.00 0.00 C ATOM 996 CE2 PHE A 64 61.463 3.909 -0.811 1.00 0.00 C ATOM 997 CZ PHE A 64 60.165 3.766 -0.309 1.00 0.00 C ATOM 0 H PHE A 64 63.143 0.288 -4.895 1.00 0.00 H new ATOM 0 HA PHE A 64 61.537 0.023 -2.524 1.00 0.00 H new ATOM 0 HB2 PHE A 64 62.295 2.062 -4.247 1.00 0.00 H new ATOM 0 HB3 PHE A 64 60.611 1.851 -4.684 1.00 0.00 H new ATOM 0 HD1 PHE A 64 58.912 1.630 -2.645 1.00 0.00 H new ATOM 0 HD2 PHE A 64 62.842 3.339 -2.363 1.00 0.00 H new ATOM 0 HE1 PHE A 64 58.242 2.836 -0.582 1.00 0.00 H new ATOM 0 HE2 PHE A 64 62.173 4.543 -0.301 1.00 0.00 H new ATOM 0 HZ PHE A 64 59.873 4.290 0.589 1.00 0.00 H new ATOM 1007 N LYS A 65 60.333 -1.281 -5.182 1.00 0.00 N ATOM 1008 CA LYS A 65 59.146 -1.991 -5.737 1.00 0.00 C ATOM 1009 C LYS A 65 59.178 -3.467 -5.331 1.00 0.00 C ATOM 1010 O LYS A 65 58.167 -4.043 -4.982 1.00 0.00 O ATOM 1011 CB LYS A 65 59.156 -1.884 -7.262 1.00 0.00 C ATOM 1012 CG LYS A 65 57.741 -2.113 -7.796 1.00 0.00 C ATOM 1013 CD LYS A 65 57.814 -2.764 -9.178 1.00 0.00 C ATOM 1014 CE LYS A 65 57.598 -4.272 -9.043 1.00 0.00 C ATOM 1015 NZ LYS A 65 58.652 -4.995 -9.809 1.00 0.00 N ATOM 0 H LYS A 65 61.206 -1.431 -5.687 1.00 0.00 H new ATOM 0 HA LYS A 65 58.240 -1.532 -5.341 1.00 0.00 H new ATOM 0 HB2 LYS A 65 59.517 -0.902 -7.566 1.00 0.00 H new ATOM 0 HB3 LYS A 65 59.840 -2.620 -7.685 1.00 0.00 H new ATOM 0 HG2 LYS A 65 57.182 -2.751 -7.111 1.00 0.00 H new ATOM 0 HG3 LYS A 65 57.206 -1.165 -7.857 1.00 0.00 H new ATOM 0 HD2 LYS A 65 57.057 -2.335 -9.834 1.00 0.00 H new ATOM 0 HD3 LYS A 65 58.783 -2.564 -9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 65 57.633 -4.563 -7.993 1.00 0.00 H new ATOM 0 HE3 LYS A 65 56.611 -4.544 -9.417 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 58.506 -6.021 -9.718 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 58.599 -4.726 -10.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 59.588 -4.744 -9.433 1.00 0.00 H new ATOM 1029 N GLN A 66 60.325 -4.088 -5.380 1.00 0.00 N ATOM 1030 CA GLN A 66 60.403 -5.529 -5.003 1.00 0.00 C ATOM 1031 C GLN A 66 60.521 -5.663 -3.483 1.00 0.00 C ATOM 1032 O GLN A 66 59.958 -6.558 -2.886 1.00 0.00 O ATOM 1033 CB GLN A 66 61.624 -6.168 -5.667 1.00 0.00 C ATOM 1034 CG GLN A 66 61.479 -6.088 -7.188 1.00 0.00 C ATOM 1035 CD GLN A 66 61.949 -7.403 -7.815 1.00 0.00 C ATOM 1036 OE1 GLN A 66 61.160 -8.142 -8.370 1.00 0.00 O ATOM 1037 NE2 GLN A 66 63.212 -7.728 -7.750 1.00 0.00 N ATOM 0 H GLN A 66 61.208 -3.663 -5.663 1.00 0.00 H new ATOM 0 HA GLN A 66 59.498 -6.036 -5.340 1.00 0.00 H new ATOM 0 HB2 GLN A 66 62.533 -5.656 -5.350 1.00 0.00 H new ATOM 0 HB3 GLN A 66 61.719 -7.208 -5.354 1.00 0.00 H new ATOM 0 HG2 GLN A 66 60.440 -5.896 -7.455 1.00 0.00 H new ATOM 0 HG3 GLN A 66 62.067 -5.257 -7.577 1.00 0.00 H new ATOM 0 HE21 GLN A 66 63.875 -7.108 -7.284 1.00 0.00 H new ATOM 0 HE22 GLN A 66 63.536 -8.602 -8.165 1.00 0.00 H new ATOM 1046 N GLY A 67 61.248 -4.783 -2.851 1.00 0.00 N ATOM 1047 CA GLY A 67 61.397 -4.869 -1.370 1.00 0.00 C ATOM 1048 C GLY A 67 62.598 -5.752 -1.024 1.00 0.00 C ATOM 1049 O GLY A 67 62.628 -6.398 0.005 1.00 0.00 O ATOM 0 H GLY A 67 61.744 -4.010 -3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 67 61.533 -3.872 -0.950 1.00 0.00 H new ATOM 0 HA3 GLY A 67 60.490 -5.281 -0.927 1.00 0.00 H new ATOM 1053 N ILE A 68 63.589 -5.787 -1.874 1.00 0.00 N ATOM 1054 CA ILE A 68 64.786 -6.628 -1.589 1.00 0.00 C ATOM 1055 C ILE A 68 66.050 -5.868 -2.000 1.00 0.00 C ATOM 1056 O ILE A 68 65.998 -4.939 -2.780 1.00 0.00 O ATOM 1057 CB ILE A 68 64.694 -7.935 -2.380 1.00 0.00 C ATOM 1058 CG1 ILE A 68 64.794 -7.634 -3.878 1.00 0.00 C ATOM 1059 CG2 ILE A 68 63.356 -8.616 -2.089 1.00 0.00 C ATOM 1060 CD1 ILE A 68 65.992 -8.377 -4.471 1.00 0.00 C ATOM 0 H ILE A 68 63.621 -5.270 -2.753 1.00 0.00 H new ATOM 0 HA ILE A 68 64.827 -6.854 -0.523 1.00 0.00 H new ATOM 0 HB ILE A 68 65.510 -8.594 -2.085 1.00 0.00 H new ATOM 0 HG12 ILE A 68 63.877 -7.940 -4.383 1.00 0.00 H new ATOM 0 HG13 ILE A 68 64.903 -6.561 -4.037 1.00 0.00 H new ATOM 0 HG21 ILE A 68 63.291 -9.547 -2.653 1.00 0.00 H new ATOM 0 HG22 ILE A 68 63.282 -8.831 -1.023 1.00 0.00 H new ATOM 0 HG23 ILE A 68 62.540 -7.956 -2.384 1.00 0.00 H new ATOM 0 HD11 ILE A 68 66.062 -8.162 -5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 68 66.905 -8.050 -3.974 1.00 0.00 H new ATOM 0 HD13 ILE A 68 65.864 -9.450 -4.325 1.00 0.00 H new ATOM 1072 N LEU A 69 67.185 -6.254 -1.481 1.00 0.00 N ATOM 1073 CA LEU A 69 68.448 -5.553 -1.840 1.00 0.00 C ATOM 1074 C LEU A 69 69.586 -6.571 -1.928 1.00 0.00 C ATOM 1075 O LEU A 69 69.428 -7.725 -1.584 1.00 0.00 O ATOM 1076 CB LEU A 69 68.775 -4.517 -0.763 1.00 0.00 C ATOM 1077 CG LEU A 69 68.937 -5.218 0.588 1.00 0.00 C ATOM 1078 CD1 LEU A 69 69.825 -4.370 1.500 1.00 0.00 C ATOM 1079 CD2 LEU A 69 67.563 -5.394 1.238 1.00 0.00 C ATOM 0 H LEU A 69 67.290 -7.026 -0.823 1.00 0.00 H new ATOM 0 HA LEU A 69 68.330 -5.055 -2.802 1.00 0.00 H new ATOM 0 HB2 LEU A 69 69.691 -3.986 -1.021 1.00 0.00 H new ATOM 0 HB3 LEU A 69 67.980 -3.773 -0.706 1.00 0.00 H new ATOM 0 HG LEU A 69 69.397 -6.194 0.437 1.00 0.00 H new ATOM 0 HD11 LEU A 69 69.940 -4.869 2.462 1.00 0.00 H new ATOM 0 HD12 LEU A 69 70.804 -4.242 1.038 1.00 0.00 H new ATOM 0 HD13 LEU A 69 69.364 -3.394 1.651 1.00 0.00 H new ATOM 0 HD21 LEU A 69 67.677 -5.893 2.200 1.00 0.00 H new ATOM 0 HD22 LEU A 69 67.104 -4.417 1.388 1.00 0.00 H new ATOM 0 HD23 LEU A 69 66.928 -5.997 0.589 1.00 0.00 H new ATOM 1091 N CYS A 70 70.733 -6.150 -2.384 1.00 0.00 N ATOM 1092 CA CYS A 70 71.883 -7.090 -2.491 1.00 0.00 C ATOM 1093 C CYS A 70 73.185 -6.289 -2.565 1.00 0.00 C ATOM 1094 O CYS A 70 73.194 -5.139 -2.958 1.00 0.00 O ATOM 1095 CB CYS A 70 71.735 -7.940 -3.755 1.00 0.00 C ATOM 1096 SG CYS A 70 70.909 -9.497 -3.342 1.00 0.00 S ATOM 0 H CYS A 70 70.923 -5.195 -2.687 1.00 0.00 H new ATOM 0 HA CYS A 70 71.903 -7.742 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 70 71.159 -7.398 -4.505 1.00 0.00 H new ATOM 0 HB3 CYS A 70 72.715 -8.140 -4.189 1.00 0.00 H new ATOM 0 HG CYS A 70 70.007 -9.281 -2.431 1.00 0.00 H new ATOM 1102 N TYR A 71 74.285 -6.884 -2.193 1.00 0.00 N ATOM 1103 CA TYR A 71 75.580 -6.150 -2.246 1.00 0.00 C ATOM 1104 C TYR A 71 76.739 -7.153 -2.251 1.00 0.00 C ATOM 1105 O TYR A 71 76.664 -8.186 -1.616 1.00 0.00 O ATOM 1106 CB TYR A 71 75.701 -5.238 -1.023 1.00 0.00 C ATOM 1107 CG TYR A 71 75.452 -6.041 0.232 1.00 0.00 C ATOM 1108 CD1 TYR A 71 76.491 -6.783 0.805 1.00 0.00 C ATOM 1109 CD2 TYR A 71 74.182 -6.042 0.822 1.00 0.00 C ATOM 1110 CE1 TYR A 71 76.260 -7.529 1.968 1.00 0.00 C ATOM 1111 CE2 TYR A 71 73.951 -6.788 1.984 1.00 0.00 C ATOM 1112 CZ TYR A 71 74.990 -7.531 2.557 1.00 0.00 C ATOM 1113 OH TYR A 71 74.762 -8.266 3.703 1.00 0.00 O ATOM 0 H TYR A 71 74.343 -7.845 -1.855 1.00 0.00 H new ATOM 0 HA TYR A 71 75.617 -5.548 -3.154 1.00 0.00 H new ATOM 0 HB2 TYR A 71 76.693 -4.788 -0.989 1.00 0.00 H new ATOM 0 HB3 TYR A 71 74.983 -4.421 -1.093 1.00 0.00 H new ATOM 0 HD1 TYR A 71 77.471 -6.781 0.351 1.00 0.00 H new ATOM 0 HD2 TYR A 71 73.381 -5.467 0.381 1.00 0.00 H new ATOM 0 HE1 TYR A 71 77.061 -8.102 2.410 1.00 0.00 H new ATOM 0 HE2 TYR A 71 72.971 -6.790 2.438 1.00 0.00 H new ATOM 0 HH TYR A 71 73.829 -8.157 3.981 1.00 0.00 H new ATOM 1123 N PRO A 72 77.779 -6.815 -2.971 1.00 0.00 N ATOM 1124 CA PRO A 72 78.977 -7.666 -3.086 1.00 0.00 C ATOM 1125 C PRO A 72 79.857 -7.524 -1.839 1.00 0.00 C ATOM 1126 O PRO A 72 80.488 -6.507 -1.626 1.00 0.00 O ATOM 1127 CB PRO A 72 79.691 -7.114 -4.324 1.00 0.00 C ATOM 1128 CG PRO A 72 79.189 -5.661 -4.506 1.00 0.00 C ATOM 1129 CD PRO A 72 77.857 -5.556 -3.741 1.00 0.00 C ATOM 0 HA PRO A 72 78.743 -8.727 -3.172 1.00 0.00 H new ATOM 0 HB2 PRO A 72 80.773 -7.138 -4.191 1.00 0.00 H new ATOM 0 HB3 PRO A 72 79.465 -7.716 -5.204 1.00 0.00 H new ATOM 0 HG2 PRO A 72 79.916 -4.948 -4.117 1.00 0.00 H new ATOM 0 HG3 PRO A 72 79.049 -5.429 -5.562 1.00 0.00 H new ATOM 0 HD2 PRO A 72 77.843 -4.686 -3.084 1.00 0.00 H new ATOM 0 HD3 PRO A 72 77.013 -5.454 -4.423 1.00 0.00 H new ATOM 1137 N ALA A 73 79.905 -8.536 -1.017 1.00 0.00 N ATOM 1138 CA ALA A 73 80.745 -8.459 0.211 1.00 0.00 C ATOM 1139 C ALA A 73 80.265 -7.295 1.084 1.00 0.00 C ATOM 1140 O ALA A 73 79.680 -6.353 0.589 1.00 0.00 O ATOM 1141 CB ALA A 73 82.206 -8.232 -0.185 1.00 0.00 C ATOM 0 H ALA A 73 79.399 -9.413 -1.143 1.00 0.00 H new ATOM 0 HA ALA A 73 80.661 -9.391 0.770 1.00 0.00 H new ATOM 0 HB1 ALA A 73 82.822 -8.175 0.713 1.00 0.00 H new ATOM 0 HB2 ALA A 73 82.547 -9.059 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 73 82.291 -7.299 -0.743 1.00 0.00 H new ATOM 1147 N PRO A 74 80.529 -7.399 2.362 1.00 0.00 N ATOM 1148 CA PRO A 74 80.138 -6.368 3.341 1.00 0.00 C ATOM 1149 C PRO A 74 81.102 -5.177 3.279 1.00 0.00 C ATOM 1150 O PRO A 74 82.206 -5.234 3.783 1.00 0.00 O ATOM 1151 CB PRO A 74 80.250 -7.091 4.686 1.00 0.00 C ATOM 1152 CG PRO A 74 81.220 -8.276 4.465 1.00 0.00 C ATOM 1153 CD PRO A 74 81.241 -8.553 2.950 1.00 0.00 C ATOM 0 HA PRO A 74 79.143 -5.962 3.162 1.00 0.00 H new ATOM 0 HB2 PRO A 74 80.626 -6.420 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 74 79.274 -7.445 5.019 1.00 0.00 H new ATOM 0 HG2 PRO A 74 82.218 -8.032 4.828 1.00 0.00 H new ATOM 0 HG3 PRO A 74 80.887 -9.156 5.015 1.00 0.00 H new ATOM 0 HD2 PRO A 74 82.261 -8.627 2.572 1.00 0.00 H new ATOM 0 HD3 PRO A 74 80.744 -9.493 2.710 1.00 0.00 H new ATOM 1161 N LYS A 75 80.693 -4.099 2.666 1.00 0.00 N ATOM 1162 CA LYS A 75 81.586 -2.909 2.576 1.00 0.00 C ATOM 1163 C LYS A 75 80.788 -1.708 2.064 1.00 0.00 C ATOM 1164 O LYS A 75 81.162 -0.592 2.387 1.00 0.00 O ATOM 1165 CB LYS A 75 82.738 -3.207 1.612 1.00 0.00 C ATOM 1166 CG LYS A 75 83.991 -2.455 2.066 1.00 0.00 C ATOM 1167 CD LYS A 75 85.063 -3.458 2.496 1.00 0.00 C ATOM 1168 CE LYS A 75 86.413 -3.051 1.902 1.00 0.00 C ATOM 1169 NZ LYS A 75 86.338 -3.107 0.414 1.00 0.00 N ATOM 1170 OXT LYS A 75 79.817 -1.923 1.358 1.00 0.00 O ATOM 0 H LYS A 75 79.780 -3.991 2.224 1.00 0.00 H new ATOM 0 HA LYS A 75 81.988 -2.682 3.563 1.00 0.00 H new ATOM 0 HB2 LYS A 75 82.934 -4.279 1.584 1.00 0.00 H new ATOM 0 HB3 LYS A 75 82.467 -2.906 0.600 1.00 0.00 H new ATOM 0 HG2 LYS A 75 84.367 -1.831 1.255 1.00 0.00 H new ATOM 0 HG3 LYS A 75 83.748 -1.789 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 75 85.128 -3.492 3.584 1.00 0.00 H new ATOM 0 HD3 LYS A 75 84.794 -4.460 2.161 1.00 0.00 H new ATOM 0 HE2 LYS A 75 86.676 -2.044 2.226 1.00 0.00 H new ATOM 0 HE3 LYS A 75 87.197 -3.717 2.263 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 87.272 -3.354 0.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 85.644 -3.827 0.128 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 86.046 -2.179 0.046 1.00 0.00 H new TER 1184 LYS A 75