USER MOD reduce.3.24.130724 H: found=0, std=0, add=588, rem=0, adj=20 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 Set 1.1: A 37 SER OG : rot 157:sc= 1.06 USER MOD Set 1.2: A 39 THR OG1 : rot -155:sc= 0.0745 USER MOD Set 1.3: A 52 TYR OH : rot 70:sc= 0.037 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 167:sc= -0.406 (180deg=-1.15) USER MOD Single : A 8 CYS SG : rot 145:sc= -2.72! USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= 0.0354 USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.125 USER MOD Single : A 35 TYR OH : rot 149:sc= 0.546 USER MOD Single : A 36 GLN : amide:sc= -0.493 X(o=-0.49,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ -110:sc= 0.0754 (180deg=-0.0125) USER MOD Single : A 50 THR OG1 : rot 77:sc= -7.89! USER MOD Single : A 57 CYS SG : rot 12:sc= -0.39 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 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 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.0613) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 61.409 15.717 13.072 1.00 0.00 N ATOM 2 CA MET A 1 61.232 14.321 13.564 1.00 0.00 C ATOM 3 C MET A 1 61.594 13.337 12.449 1.00 0.00 C ATOM 4 O MET A 1 60.756 12.933 11.668 1.00 0.00 O ATOM 5 CB MET A 1 59.775 14.099 13.987 1.00 0.00 C ATOM 6 CG MET A 1 58.856 15.052 13.218 1.00 0.00 C ATOM 7 SD MET A 1 57.154 14.442 13.298 1.00 0.00 S ATOM 8 CE MET A 1 56.391 15.974 13.884 1.00 0.00 C ATOM 0 H1 MET A 1 60.961 16.379 13.737 1.00 0.00 H new ATOM 0 H2 MET A 1 62.424 15.933 12.999 1.00 0.00 H new ATOM 0 H3 MET A 1 60.966 15.814 12.136 1.00 0.00 H new ATOM 0 HA MET A 1 61.884 14.158 14.422 1.00 0.00 H new ATOM 0 HB2 MET A 1 59.485 13.066 13.794 1.00 0.00 H new ATOM 0 HB3 MET A 1 59.670 14.265 15.059 1.00 0.00 H new ATOM 0 HG2 MET A 1 58.915 16.054 13.643 1.00 0.00 H new ATOM 0 HG3 MET A 1 59.179 15.127 12.180 1.00 0.00 H new ATOM 0 HE1 MET A 1 55.318 15.823 14.006 1.00 0.00 H new ATOM 0 HE2 MET A 1 56.829 16.255 14.842 1.00 0.00 H new ATOM 0 HE3 MET A 1 56.566 16.768 13.158 1.00 0.00 H new ATOM 18 N ALA A 2 62.838 12.948 12.371 1.00 0.00 N ATOM 19 CA ALA A 2 63.257 11.990 11.307 1.00 0.00 C ATOM 20 C ALA A 2 62.697 10.601 11.620 1.00 0.00 C ATOM 21 O ALA A 2 61.889 10.432 12.511 1.00 0.00 O ATOM 22 CB ALA A 2 64.784 11.922 11.257 1.00 0.00 C ATOM 0 H ALA A 2 63.583 13.252 12.998 1.00 0.00 H new ATOM 0 HA ALA A 2 62.874 12.327 10.344 1.00 0.00 H new ATOM 0 HB1 ALA A 2 65.092 11.222 10.480 1.00 0.00 H new ATOM 0 HB2 ALA A 2 65.185 12.911 11.035 1.00 0.00 H new ATOM 0 HB3 ALA A 2 65.165 11.584 12.221 1.00 0.00 H new ATOM 28 N GLU A 3 63.122 9.602 10.894 1.00 0.00 N ATOM 29 CA GLU A 3 62.615 8.225 11.152 1.00 0.00 C ATOM 30 C GLU A 3 63.791 7.248 11.195 1.00 0.00 C ATOM 31 O GLU A 3 64.940 7.643 11.225 1.00 0.00 O ATOM 32 CB GLU A 3 61.653 7.815 10.037 1.00 0.00 C ATOM 33 CG GLU A 3 60.350 7.301 10.651 1.00 0.00 C ATOM 34 CD GLU A 3 60.310 5.774 10.561 1.00 0.00 C ATOM 35 OE1 GLU A 3 61.345 5.190 10.290 1.00 0.00 O ATOM 36 OE2 GLU A 3 59.244 5.216 10.766 1.00 0.00 O ATOM 0 H GLU A 3 63.798 9.681 10.134 1.00 0.00 H new ATOM 0 HA GLU A 3 62.091 8.206 12.107 1.00 0.00 H new ATOM 0 HB2 GLU A 3 61.450 8.666 9.386 1.00 0.00 H new ATOM 0 HB3 GLU A 3 62.106 7.041 9.418 1.00 0.00 H new ATOM 0 HG2 GLU A 3 60.277 7.616 11.692 1.00 0.00 H new ATOM 0 HG3 GLU A 3 59.495 7.729 10.127 1.00 0.00 H new ATOM 43 N ASP A 4 63.513 5.973 11.198 1.00 0.00 N ATOM 44 CA ASP A 4 64.614 4.971 11.239 1.00 0.00 C ATOM 45 C ASP A 4 65.076 4.661 9.815 1.00 0.00 C ATOM 46 O ASP A 4 65.236 3.518 9.440 1.00 0.00 O ATOM 47 CB ASP A 4 64.112 3.688 11.903 1.00 0.00 C ATOM 48 CG ASP A 4 63.501 4.023 13.265 1.00 0.00 C ATOM 49 OD1 ASP A 4 62.538 4.772 13.292 1.00 0.00 O ATOM 50 OD2 ASP A 4 64.006 3.525 14.258 1.00 0.00 O ATOM 0 H ASP A 4 62.571 5.582 11.174 1.00 0.00 H new ATOM 0 HA ASP A 4 65.449 5.374 11.812 1.00 0.00 H new ATOM 0 HB2 ASP A 4 63.369 3.204 11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 4 64.935 2.983 12.025 1.00 0.00 H new ATOM 55 N TRP A 5 65.290 5.672 9.017 1.00 0.00 N ATOM 56 CA TRP A 5 65.741 5.436 7.618 1.00 0.00 C ATOM 57 C TRP A 5 67.017 4.590 7.624 1.00 0.00 C ATOM 58 O TRP A 5 68.067 5.037 8.042 1.00 0.00 O ATOM 59 CB TRP A 5 66.026 6.781 6.949 1.00 0.00 C ATOM 60 CG TRP A 5 64.803 7.638 7.015 1.00 0.00 C ATOM 61 CD1 TRP A 5 64.478 8.456 8.043 1.00 0.00 C ATOM 62 CD2 TRP A 5 63.738 7.775 6.032 1.00 0.00 C ATOM 63 NE1 TRP A 5 63.281 9.086 7.751 1.00 0.00 N ATOM 64 CE2 TRP A 5 62.786 8.699 6.521 1.00 0.00 C ATOM 65 CE3 TRP A 5 63.512 7.192 4.774 1.00 0.00 C ATOM 66 CZ2 TRP A 5 61.646 9.032 5.788 1.00 0.00 C ATOM 67 CZ3 TRP A 5 62.367 7.524 4.032 1.00 0.00 C ATOM 68 CH2 TRP A 5 61.436 8.443 4.538 1.00 0.00 C ATOM 0 H TRP A 5 65.171 6.652 9.275 1.00 0.00 H new ATOM 0 HA TRP A 5 64.962 4.908 7.068 1.00 0.00 H new ATOM 0 HB2 TRP A 5 66.859 7.278 7.447 1.00 0.00 H new ATOM 0 HB3 TRP A 5 66.321 6.628 5.911 1.00 0.00 H new ATOM 0 HD1 TRP A 5 65.058 8.594 8.944 1.00 0.00 H new ATOM 0 HE1 TRP A 5 62.821 9.754 8.369 1.00 0.00 H new ATOM 0 HE3 TRP A 5 64.223 6.484 4.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 5 60.932 9.739 6.183 1.00 0.00 H new ATOM 0 HZ3 TRP A 5 62.202 7.069 3.066 1.00 0.00 H new ATOM 0 HH2 TRP A 5 60.558 8.695 3.962 1.00 0.00 H new ATOM 79 N LEU A 6 66.937 3.372 7.159 1.00 0.00 N ATOM 80 CA LEU A 6 68.148 2.503 7.134 1.00 0.00 C ATOM 81 C LEU A 6 68.534 2.214 5.682 1.00 0.00 C ATOM 82 O LEU A 6 67.697 2.190 4.801 1.00 0.00 O ATOM 83 CB LEU A 6 67.852 1.185 7.854 1.00 0.00 C ATOM 84 CG LEU A 6 67.623 1.455 9.342 1.00 0.00 C ATOM 85 CD1 LEU A 6 67.387 0.131 10.071 1.00 0.00 C ATOM 86 CD2 LEU A 6 68.854 2.148 9.930 1.00 0.00 C ATOM 0 H LEU A 6 66.086 2.942 6.796 1.00 0.00 H new ATOM 0 HA LEU A 6 68.970 3.012 7.638 1.00 0.00 H new ATOM 0 HB2 LEU A 6 66.971 0.711 7.420 1.00 0.00 H new ATOM 0 HB3 LEU A 6 68.683 0.492 7.723 1.00 0.00 H new ATOM 0 HG LEU A 6 66.751 2.097 9.464 1.00 0.00 H new ATOM 0 HD11 LEU A 6 67.224 0.324 11.131 1.00 0.00 H new ATOM 0 HD12 LEU A 6 66.510 -0.363 9.653 1.00 0.00 H new ATOM 0 HD13 LEU A 6 68.259 -0.512 9.949 1.00 0.00 H new ATOM 0 HD21 LEU A 6 68.691 2.341 10.990 1.00 0.00 H new ATOM 0 HD22 LEU A 6 69.726 1.506 9.807 1.00 0.00 H new ATOM 0 HD23 LEU A 6 69.023 3.092 9.411 1.00 0.00 H new ATOM 98 N ASP A 7 69.795 1.994 5.423 1.00 0.00 N ATOM 99 CA ASP A 7 70.230 1.708 4.026 1.00 0.00 C ATOM 100 C ASP A 7 69.264 0.709 3.385 1.00 0.00 C ATOM 101 O ASP A 7 68.827 -0.236 4.010 1.00 0.00 O ATOM 102 CB ASP A 7 71.641 1.117 4.041 1.00 0.00 C ATOM 103 CG ASP A 7 72.654 2.224 4.343 1.00 0.00 C ATOM 104 OD1 ASP A 7 72.265 3.204 4.957 1.00 0.00 O ATOM 105 OD2 ASP A 7 73.800 2.072 3.954 1.00 0.00 O ATOM 0 H ASP A 7 70.542 2.000 6.118 1.00 0.00 H new ATOM 0 HA ASP A 7 70.231 2.633 3.450 1.00 0.00 H new ATOM 0 HB2 ASP A 7 71.710 0.331 4.793 1.00 0.00 H new ATOM 0 HB3 ASP A 7 71.865 0.657 3.078 1.00 0.00 H new ATOM 110 N CYS A 8 68.926 0.914 2.141 1.00 0.00 N ATOM 111 CA CYS A 8 67.986 -0.021 1.460 1.00 0.00 C ATOM 112 C CYS A 8 68.769 -0.942 0.515 1.00 0.00 C ATOM 113 O CYS A 8 69.186 -0.522 -0.546 1.00 0.00 O ATOM 114 CB CYS A 8 66.972 0.789 0.649 1.00 0.00 C ATOM 115 SG CYS A 8 65.920 -0.336 -0.300 1.00 0.00 S ATOM 0 H CYS A 8 69.260 1.688 1.567 1.00 0.00 H new ATOM 0 HA CYS A 8 67.468 -0.624 2.206 1.00 0.00 H new ATOM 0 HB2 CYS A 8 66.362 1.399 1.315 1.00 0.00 H new ATOM 0 HB3 CYS A 8 67.491 1.472 -0.023 1.00 0.00 H new ATOM 0 HG CYS A 8 64.716 0.149 -0.367 1.00 0.00 H new ATOM 121 N PRO A 9 68.943 -2.176 0.925 1.00 0.00 N ATOM 122 CA PRO A 9 69.670 -3.179 0.127 1.00 0.00 C ATOM 123 C PRO A 9 68.788 -3.695 -1.015 1.00 0.00 C ATOM 124 O PRO A 9 69.263 -3.979 -2.097 1.00 0.00 O ATOM 125 CB PRO A 9 69.973 -4.292 1.133 1.00 0.00 C ATOM 126 CG PRO A 9 68.940 -4.139 2.274 1.00 0.00 C ATOM 127 CD PRO A 9 68.435 -2.685 2.217 1.00 0.00 C ATOM 0 HA PRO A 9 70.571 -2.783 -0.342 1.00 0.00 H new ATOM 0 HB2 PRO A 9 69.892 -5.273 0.664 1.00 0.00 H new ATOM 0 HB3 PRO A 9 70.990 -4.204 1.515 1.00 0.00 H new ATOM 0 HG2 PRO A 9 68.116 -4.841 2.147 1.00 0.00 H new ATOM 0 HG3 PRO A 9 69.396 -4.354 3.241 1.00 0.00 H new ATOM 0 HD2 PRO A 9 67.347 -2.639 2.263 1.00 0.00 H new ATOM 0 HD3 PRO A 9 68.815 -2.098 3.053 1.00 0.00 H new ATOM 135 N ALA A 10 67.508 -3.815 -0.784 1.00 0.00 N ATOM 136 CA ALA A 10 66.601 -4.308 -1.859 1.00 0.00 C ATOM 137 C ALA A 10 66.959 -3.624 -3.179 1.00 0.00 C ATOM 138 O ALA A 10 67.059 -4.258 -4.211 1.00 0.00 O ATOM 139 CB ALA A 10 65.153 -3.982 -1.492 1.00 0.00 C ATOM 0 H ALA A 10 67.052 -3.593 0.101 1.00 0.00 H new ATOM 0 HA ALA A 10 66.715 -5.387 -1.966 1.00 0.00 H new ATOM 0 HB1 ALA A 10 64.489 -4.342 -2.278 1.00 0.00 H new ATOM 0 HB2 ALA A 10 64.898 -4.468 -0.550 1.00 0.00 H new ATOM 0 HB3 ALA A 10 65.038 -2.903 -1.386 1.00 0.00 H new ATOM 145 N LEU A 11 67.157 -2.333 -3.156 1.00 0.00 N ATOM 146 CA LEU A 11 67.513 -1.613 -4.411 1.00 0.00 C ATOM 147 C LEU A 11 69.029 -1.419 -4.473 1.00 0.00 C ATOM 148 O LEU A 11 69.689 -1.892 -5.376 1.00 0.00 O ATOM 149 CB LEU A 11 66.825 -0.244 -4.435 1.00 0.00 C ATOM 150 CG LEU A 11 65.325 -0.404 -4.165 1.00 0.00 C ATOM 151 CD1 LEU A 11 64.593 0.866 -4.602 1.00 0.00 C ATOM 152 CD2 LEU A 11 64.779 -1.594 -4.957 1.00 0.00 C ATOM 0 H LEU A 11 67.088 -1.748 -2.324 1.00 0.00 H new ATOM 0 HA LEU A 11 67.182 -2.199 -5.269 1.00 0.00 H new ATOM 0 HB2 LEU A 11 67.270 0.409 -3.684 1.00 0.00 H new ATOM 0 HB3 LEU A 11 66.979 0.232 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 11 65.169 -0.575 -3.100 1.00 0.00 H new ATOM 0 HD11 LEU A 11 63.526 0.755 -4.411 1.00 0.00 H new ATOM 0 HD12 LEU A 11 64.975 1.718 -4.040 1.00 0.00 H new ATOM 0 HD13 LEU A 11 64.756 1.032 -5.667 1.00 0.00 H new ATOM 0 HD21 LEU A 11 63.712 -1.703 -4.761 1.00 0.00 H new ATOM 0 HD22 LEU A 11 64.937 -1.425 -6.022 1.00 0.00 H new ATOM 0 HD23 LEU A 11 65.298 -2.503 -4.653 1.00 0.00 H new ATOM 164 N GLY A 12 69.588 -0.725 -3.518 1.00 0.00 N ATOM 165 CA GLY A 12 71.061 -0.503 -3.526 1.00 0.00 C ATOM 166 C GLY A 12 71.390 0.783 -2.761 1.00 0.00 C ATOM 167 O GLY A 12 70.653 1.184 -1.881 1.00 0.00 O ATOM 0 H GLY A 12 69.089 -0.303 -2.735 1.00 0.00 H new ATOM 0 HA2 GLY A 12 71.569 -1.351 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 12 71.423 -0.431 -4.552 1.00 0.00 H new ATOM 171 N PRO A 13 72.491 1.391 -3.122 1.00 0.00 N ATOM 172 CA PRO A 13 72.955 2.639 -2.491 1.00 0.00 C ATOM 173 C PRO A 13 72.163 3.834 -3.030 1.00 0.00 C ATOM 174 O PRO A 13 71.789 3.873 -4.185 1.00 0.00 O ATOM 175 CB PRO A 13 74.426 2.727 -2.908 1.00 0.00 C ATOM 176 CG PRO A 13 74.568 1.867 -4.186 1.00 0.00 C ATOM 177 CD PRO A 13 73.376 0.890 -4.194 1.00 0.00 C ATOM 0 HA PRO A 13 72.823 2.649 -1.409 1.00 0.00 H new ATOM 0 HB2 PRO A 13 74.714 3.760 -3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 13 75.077 2.357 -2.116 1.00 0.00 H new ATOM 0 HG2 PRO A 13 74.561 2.494 -5.078 1.00 0.00 H new ATOM 0 HG3 PRO A 13 75.514 1.325 -4.185 1.00 0.00 H new ATOM 0 HD2 PRO A 13 72.870 0.887 -5.159 1.00 0.00 H new ATOM 0 HD3 PRO A 13 73.698 -0.133 -3.999 1.00 0.00 H new ATOM 185 N GLY A 14 71.904 4.808 -2.201 1.00 0.00 N ATOM 186 CA GLY A 14 71.134 5.997 -2.666 1.00 0.00 C ATOM 187 C GLY A 14 69.662 5.824 -2.288 1.00 0.00 C ATOM 188 O GLY A 14 68.929 6.783 -2.149 1.00 0.00 O ATOM 0 H GLY A 14 72.192 4.832 -1.223 1.00 0.00 H new ATOM 0 HA2 GLY A 14 71.534 6.904 -2.212 1.00 0.00 H new ATOM 0 HA3 GLY A 14 71.234 6.110 -3.746 1.00 0.00 H new ATOM 192 N TRP A 15 69.227 4.606 -2.120 1.00 0.00 N ATOM 193 CA TRP A 15 67.805 4.366 -1.748 1.00 0.00 C ATOM 194 C TRP A 15 67.710 4.137 -0.239 1.00 0.00 C ATOM 195 O TRP A 15 68.468 3.377 0.331 1.00 0.00 O ATOM 196 CB TRP A 15 67.290 3.129 -2.485 1.00 0.00 C ATOM 197 CG TRP A 15 65.831 3.287 -2.761 1.00 0.00 C ATOM 198 CD1 TRP A 15 64.863 2.457 -2.313 1.00 0.00 C ATOM 199 CD2 TRP A 15 65.157 4.321 -3.536 1.00 0.00 C ATOM 200 NE1 TRP A 15 63.639 2.912 -2.768 1.00 0.00 N ATOM 201 CE2 TRP A 15 63.769 4.059 -3.523 1.00 0.00 C ATOM 202 CE3 TRP A 15 65.611 5.448 -4.242 1.00 0.00 C ATOM 203 CZ2 TRP A 15 62.863 4.884 -4.187 1.00 0.00 C ATOM 204 CZ3 TRP A 15 64.701 6.283 -4.913 1.00 0.00 C ATOM 205 CH2 TRP A 15 63.329 6.001 -4.884 1.00 0.00 C ATOM 0 H TRP A 15 69.796 3.766 -2.224 1.00 0.00 H new ATOM 0 HA TRP A 15 67.202 5.231 -2.025 1.00 0.00 H new ATOM 0 HB2 TRP A 15 67.836 2.995 -3.419 1.00 0.00 H new ATOM 0 HB3 TRP A 15 67.463 2.236 -1.884 1.00 0.00 H new ATOM 0 HD1 TRP A 15 65.020 1.582 -1.700 1.00 0.00 H new ATOM 0 HE1 TRP A 15 62.749 2.455 -2.570 1.00 0.00 H new ATOM 0 HE3 TRP A 15 66.667 5.674 -4.269 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 61.807 4.661 -4.163 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 65.061 7.146 -5.453 1.00 0.00 H new ATOM 0 HH2 TRP A 15 62.633 6.646 -5.400 1.00 0.00 H new ATOM 216 N LYS A 16 66.788 4.788 0.417 1.00 0.00 N ATOM 217 CA LYS A 16 66.655 4.605 1.890 1.00 0.00 C ATOM 218 C LYS A 16 65.355 3.864 2.207 1.00 0.00 C ATOM 219 O LYS A 16 64.276 4.323 1.889 1.00 0.00 O ATOM 220 CB LYS A 16 66.636 5.972 2.575 1.00 0.00 C ATOM 221 CG LYS A 16 67.963 6.200 3.302 1.00 0.00 C ATOM 222 CD LYS A 16 68.883 7.051 2.426 1.00 0.00 C ATOM 223 CE LYS A 16 68.989 8.460 3.013 1.00 0.00 C ATOM 224 NZ LYS A 16 69.521 9.390 1.977 1.00 0.00 N ATOM 0 H LYS A 16 66.123 5.437 -0.003 1.00 0.00 H new ATOM 0 HA LYS A 16 67.501 4.022 2.255 1.00 0.00 H new ATOM 0 HB2 LYS A 16 66.474 6.758 1.837 1.00 0.00 H new ATOM 0 HB3 LYS A 16 65.808 6.024 3.282 1.00 0.00 H new ATOM 0 HG2 LYS A 16 67.787 6.699 4.255 1.00 0.00 H new ATOM 0 HG3 LYS A 16 68.437 5.244 3.525 1.00 0.00 H new ATOM 0 HD2 LYS A 16 69.871 6.595 2.368 1.00 0.00 H new ATOM 0 HD3 LYS A 16 68.493 7.098 1.409 1.00 0.00 H new ATOM 0 HE2 LYS A 16 68.010 8.799 3.353 1.00 0.00 H new ATOM 0 HE3 LYS A 16 69.645 8.455 3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 69.593 10.348 2.375 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 70.462 9.069 1.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 68.879 9.403 1.159 1.00 0.00 H new ATOM 238 N ARG A 17 65.449 2.727 2.840 1.00 0.00 N ATOM 239 CA ARG A 17 64.219 1.963 3.189 1.00 0.00 C ATOM 240 C ARG A 17 63.783 2.346 4.604 1.00 0.00 C ATOM 241 O ARG A 17 64.490 2.114 5.564 1.00 0.00 O ATOM 242 CB ARG A 17 64.511 0.463 3.128 1.00 0.00 C ATOM 243 CG ARG A 17 63.251 -0.283 2.685 1.00 0.00 C ATOM 244 CD ARG A 17 63.638 -1.444 1.766 1.00 0.00 C ATOM 245 NE ARG A 17 64.927 -2.033 2.223 1.00 0.00 N ATOM 246 CZ ARG A 17 65.008 -2.588 3.401 1.00 0.00 C ATOM 247 NH1 ARG A 17 64.040 -3.350 3.830 1.00 0.00 N ATOM 248 NH2 ARG A 17 66.056 -2.380 4.151 1.00 0.00 N ATOM 0 H ARG A 17 66.326 2.294 3.131 1.00 0.00 H new ATOM 0 HA ARG A 17 63.424 2.199 2.482 1.00 0.00 H new ATOM 0 HB2 ARG A 17 65.326 0.268 2.431 1.00 0.00 H new ATOM 0 HB3 ARG A 17 64.835 0.104 4.105 1.00 0.00 H new ATOM 0 HG2 ARG A 17 62.714 -0.659 3.556 1.00 0.00 H new ATOM 0 HG3 ARG A 17 62.578 0.398 2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 17 62.856 -2.204 1.774 1.00 0.00 H new ATOM 0 HD3 ARG A 17 63.731 -1.093 0.738 1.00 0.00 H new ATOM 0 HE ARG A 17 65.746 -2.003 1.616 1.00 0.00 H new ATOM 0 HH11 ARG A 17 63.220 -3.512 3.245 1.00 0.00 H new ATOM 0 HH12 ARG A 17 64.103 -3.784 4.751 1.00 0.00 H new ATOM 0 HH21 ARG A 17 66.812 -1.783 3.816 1.00 0.00 H new ATOM 0 HH22 ARG A 17 66.118 -2.814 5.072 1.00 0.00 H new ATOM 262 N ARG A 18 62.633 2.945 4.739 1.00 0.00 N ATOM 263 CA ARG A 18 62.164 3.357 6.091 1.00 0.00 C ATOM 264 C ARG A 18 61.153 2.346 6.632 1.00 0.00 C ATOM 265 O ARG A 18 60.391 1.755 5.895 1.00 0.00 O ATOM 266 CB ARG A 18 61.500 4.731 5.997 1.00 0.00 C ATOM 267 CG ARG A 18 61.022 5.160 7.384 1.00 0.00 C ATOM 268 CD ARG A 18 60.207 6.449 7.268 1.00 0.00 C ATOM 269 NE ARG A 18 59.012 6.362 8.154 1.00 0.00 N ATOM 270 CZ ARG A 18 58.161 7.349 8.196 1.00 0.00 C ATOM 271 NH1 ARG A 18 58.128 8.225 7.228 1.00 0.00 N ATOM 272 NH2 ARG A 18 57.341 7.460 9.205 1.00 0.00 N ATOM 0 H ARG A 18 61.998 3.167 3.972 1.00 0.00 H new ATOM 0 HA ARG A 18 63.019 3.400 6.765 1.00 0.00 H new ATOM 0 HB2 ARG A 18 62.205 5.462 5.601 1.00 0.00 H new ATOM 0 HB3 ARG A 18 60.658 4.694 5.306 1.00 0.00 H new ATOM 0 HG2 ARG A 18 60.415 4.373 7.830 1.00 0.00 H new ATOM 0 HG3 ARG A 18 61.877 5.316 8.043 1.00 0.00 H new ATOM 0 HD2 ARG A 18 60.820 7.306 7.549 1.00 0.00 H new ATOM 0 HD3 ARG A 18 59.897 6.604 6.235 1.00 0.00 H new ATOM 0 HE ARG A 18 58.860 5.532 8.727 1.00 0.00 H new ATOM 0 HH11 ARG A 18 58.768 8.137 6.439 1.00 0.00 H new ATOM 0 HH12 ARG A 18 57.462 8.997 7.261 1.00 0.00 H new ATOM 0 HH21 ARG A 18 57.366 6.775 9.960 1.00 0.00 H new ATOM 0 HH22 ARG A 18 56.675 8.232 9.238 1.00 0.00 H new ATOM 286 N GLU A 19 61.138 2.154 7.923 1.00 0.00 N ATOM 287 CA GLU A 19 60.173 1.195 8.529 1.00 0.00 C ATOM 288 C GLU A 19 59.366 1.923 9.607 1.00 0.00 C ATOM 289 O GLU A 19 59.875 2.783 10.298 1.00 0.00 O ATOM 290 CB GLU A 19 60.936 0.025 9.156 1.00 0.00 C ATOM 291 CG GLU A 19 61.806 0.536 10.307 1.00 0.00 C ATOM 292 CD GLU A 19 62.091 -0.609 11.281 1.00 0.00 C ATOM 293 OE1 GLU A 19 61.418 -1.622 11.187 1.00 0.00 O ATOM 294 OE2 GLU A 19 62.976 -0.453 12.105 1.00 0.00 O ATOM 0 H GLU A 19 61.755 2.622 8.586 1.00 0.00 H new ATOM 0 HA GLU A 19 59.501 0.809 7.762 1.00 0.00 H new ATOM 0 HB2 GLU A 19 60.235 -0.725 9.522 1.00 0.00 H new ATOM 0 HB3 GLU A 19 61.558 -0.461 8.404 1.00 0.00 H new ATOM 0 HG2 GLU A 19 62.742 0.938 9.918 1.00 0.00 H new ATOM 0 HG3 GLU A 19 61.300 1.350 10.825 1.00 0.00 H new ATOM 301 N VAL A 20 58.111 1.598 9.752 1.00 0.00 N ATOM 302 CA VAL A 20 57.285 2.288 10.781 1.00 0.00 C ATOM 303 C VAL A 20 56.528 1.256 11.616 1.00 0.00 C ATOM 304 O VAL A 20 56.325 0.132 11.203 1.00 0.00 O ATOM 305 CB VAL A 20 56.284 3.216 10.091 1.00 0.00 C ATOM 306 CG1 VAL A 20 55.804 4.277 11.083 1.00 0.00 C ATOM 307 CG2 VAL A 20 56.960 3.901 8.900 1.00 0.00 C ATOM 0 H VAL A 20 57.624 0.888 9.205 1.00 0.00 H new ATOM 0 HA VAL A 20 57.936 2.870 11.433 1.00 0.00 H new ATOM 0 HB VAL A 20 55.432 2.634 9.740 1.00 0.00 H new ATOM 0 HG11 VAL A 20 55.091 4.938 10.591 1.00 0.00 H new ATOM 0 HG12 VAL A 20 55.323 3.791 11.931 1.00 0.00 H new ATOM 0 HG13 VAL A 20 56.656 4.859 11.434 1.00 0.00 H new ATOM 0 HG21 VAL A 20 56.247 4.562 8.408 1.00 0.00 H new ATOM 0 HG22 VAL A 20 57.812 4.483 9.251 1.00 0.00 H new ATOM 0 HG23 VAL A 20 57.303 3.146 8.192 1.00 0.00 H new ATOM 317 N PHE A 21 56.104 1.634 12.791 1.00 0.00 N ATOM 318 CA PHE A 21 55.355 0.682 13.658 1.00 0.00 C ATOM 319 C PHE A 21 53.852 0.895 13.459 1.00 0.00 C ATOM 320 O PHE A 21 53.038 0.366 14.189 1.00 0.00 O ATOM 321 CB PHE A 21 55.717 0.938 15.122 1.00 0.00 C ATOM 322 CG PHE A 21 56.772 -0.048 15.562 1.00 0.00 C ATOM 323 CD1 PHE A 21 57.747 -0.482 14.656 1.00 0.00 C ATOM 324 CD2 PHE A 21 56.776 -0.528 16.877 1.00 0.00 C ATOM 325 CE1 PHE A 21 58.726 -1.395 15.065 1.00 0.00 C ATOM 326 CE2 PHE A 21 57.755 -1.440 17.287 1.00 0.00 C ATOM 327 CZ PHE A 21 58.730 -1.874 16.381 1.00 0.00 C ATOM 0 H PHE A 21 56.245 2.563 13.188 1.00 0.00 H new ATOM 0 HA PHE A 21 55.617 -0.342 13.393 1.00 0.00 H new ATOM 0 HB2 PHE A 21 56.084 1.957 15.244 1.00 0.00 H new ATOM 0 HB3 PHE A 21 54.830 0.841 15.749 1.00 0.00 H new ATOM 0 HD1 PHE A 21 57.744 -0.112 13.641 1.00 0.00 H new ATOM 0 HD2 PHE A 21 56.023 -0.194 17.576 1.00 0.00 H new ATOM 0 HE1 PHE A 21 59.478 -1.730 14.366 1.00 0.00 H new ATOM 0 HE2 PHE A 21 57.758 -1.809 18.302 1.00 0.00 H new ATOM 0 HZ PHE A 21 59.485 -2.578 16.697 1.00 0.00 H new ATOM 337 N ARG A 22 53.480 1.670 12.477 1.00 0.00 N ATOM 338 CA ARG A 22 52.032 1.921 12.231 1.00 0.00 C ATOM 339 C ARG A 22 51.487 2.852 13.317 1.00 0.00 C ATOM 340 O ARG A 22 51.178 3.999 13.065 1.00 0.00 O ATOM 341 CB ARG A 22 51.272 0.594 12.262 1.00 0.00 C ATOM 342 CG ARG A 22 50.496 0.422 10.954 1.00 0.00 C ATOM 343 CD ARG A 22 49.281 1.351 10.954 1.00 0.00 C ATOM 344 NE ARG A 22 49.081 1.905 9.586 1.00 0.00 N ATOM 345 CZ ARG A 22 48.621 1.140 8.634 1.00 0.00 C ATOM 346 NH1 ARG A 22 49.439 0.394 7.943 1.00 0.00 N ATOM 347 NH2 ARG A 22 47.344 1.120 8.373 1.00 0.00 N ATOM 0 H ARG A 22 54.117 2.140 11.834 1.00 0.00 H new ATOM 0 HA ARG A 22 51.902 2.388 11.255 1.00 0.00 H new ATOM 0 HB2 ARG A 22 51.969 -0.234 12.396 1.00 0.00 H new ATOM 0 HB3 ARG A 22 50.587 0.574 13.109 1.00 0.00 H new ATOM 0 HG2 ARG A 22 51.140 0.649 10.104 1.00 0.00 H new ATOM 0 HG3 ARG A 22 50.175 -0.614 10.843 1.00 0.00 H new ATOM 0 HD2 ARG A 22 48.392 0.805 11.271 1.00 0.00 H new ATOM 0 HD3 ARG A 22 49.429 2.161 11.668 1.00 0.00 H new ATOM 0 HE ARG A 22 49.303 2.882 9.393 1.00 0.00 H new ATOM 0 HH11 ARG A 22 50.438 0.409 8.147 1.00 0.00 H new ATOM 0 HH12 ARG A 22 49.079 -0.204 7.199 1.00 0.00 H new ATOM 0 HH21 ARG A 22 46.704 1.702 8.913 1.00 0.00 H new ATOM 0 HH22 ARG A 22 46.985 0.522 7.629 1.00 0.00 H new ATOM 361 N LYS A 23 51.372 2.369 14.524 1.00 0.00 N ATOM 362 CA LYS A 23 50.852 3.228 15.624 1.00 0.00 C ATOM 363 C LYS A 23 50.940 2.468 16.948 1.00 0.00 C ATOM 364 O LYS A 23 51.565 2.913 17.890 1.00 0.00 O ATOM 365 CB LYS A 23 49.394 3.595 15.344 1.00 0.00 C ATOM 366 CG LYS A 23 49.298 5.084 15.007 1.00 0.00 C ATOM 367 CD LYS A 23 48.974 5.875 16.276 1.00 0.00 C ATOM 368 CE LYS A 23 47.516 6.333 16.234 1.00 0.00 C ATOM 369 NZ LYS A 23 46.898 6.150 17.577 1.00 0.00 N ATOM 0 H LYS A 23 51.616 1.416 14.795 1.00 0.00 H new ATOM 0 HA LYS A 23 51.449 4.138 15.685 1.00 0.00 H new ATOM 0 HB2 LYS A 23 49.010 2.999 14.516 1.00 0.00 H new ATOM 0 HB3 LYS A 23 48.777 3.368 16.214 1.00 0.00 H new ATOM 0 HG2 LYS A 23 50.238 5.432 14.579 1.00 0.00 H new ATOM 0 HG3 LYS A 23 48.525 5.249 14.256 1.00 0.00 H new ATOM 0 HD2 LYS A 23 49.147 5.256 17.157 1.00 0.00 H new ATOM 0 HD3 LYS A 23 49.635 6.738 16.358 1.00 0.00 H new ATOM 0 HE2 LYS A 23 47.461 7.380 15.937 1.00 0.00 H new ATOM 0 HE3 LYS A 23 46.965 5.760 15.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 45.906 6.462 17.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 46.938 5.145 17.843 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 47.418 6.715 18.278 1.00 0.00 H new ATOM 383 N SER A 24 50.319 1.324 17.028 1.00 0.00 N ATOM 384 CA SER A 24 50.370 0.537 18.291 1.00 0.00 C ATOM 385 C SER A 24 51.603 -0.368 18.277 1.00 0.00 C ATOM 386 O SER A 24 52.338 -0.416 17.310 1.00 0.00 O ATOM 387 CB SER A 24 49.110 -0.321 18.410 1.00 0.00 C ATOM 388 OG SER A 24 47.962 0.503 18.252 1.00 0.00 O ATOM 0 H SER A 24 49.779 0.901 16.274 1.00 0.00 H new ATOM 0 HA SER A 24 50.427 1.217 19.141 1.00 0.00 H new ATOM 0 HB2 SER A 24 49.117 -1.104 17.652 1.00 0.00 H new ATOM 0 HB3 SER A 24 49.085 -0.817 19.380 1.00 0.00 H new ATOM 0 HG SER A 24 47.153 -0.045 18.326 1.00 0.00 H new ATOM 394 N GLY A 25 51.835 -1.086 19.341 1.00 0.00 N ATOM 395 CA GLY A 25 53.020 -1.987 19.385 1.00 0.00 C ATOM 396 C GLY A 25 52.562 -3.423 19.646 1.00 0.00 C ATOM 397 O GLY A 25 53.282 -4.222 20.210 1.00 0.00 O ATOM 0 H GLY A 25 51.256 -1.088 20.181 1.00 0.00 H new ATOM 0 HA2 GLY A 25 53.565 -1.934 18.443 1.00 0.00 H new ATOM 0 HA3 GLY A 25 53.706 -1.665 20.169 1.00 0.00 H new ATOM 401 N ALA A 26 51.367 -3.757 19.240 1.00 0.00 N ATOM 402 CA ALA A 26 50.864 -5.142 19.467 1.00 0.00 C ATOM 403 C ALA A 26 51.652 -6.121 18.595 1.00 0.00 C ATOM 404 O ALA A 26 52.419 -5.727 17.738 1.00 0.00 O ATOM 405 CB ALA A 26 49.379 -5.213 19.102 1.00 0.00 C ATOM 0 H ALA A 26 50.718 -3.132 18.762 1.00 0.00 H new ATOM 0 HA ALA A 26 50.992 -5.407 20.516 1.00 0.00 H new ATOM 0 HB1 ALA A 26 49.012 -6.226 19.268 1.00 0.00 H new ATOM 0 HB2 ALA A 26 48.818 -4.517 19.725 1.00 0.00 H new ATOM 0 HB3 ALA A 26 49.249 -4.947 18.053 1.00 0.00 H new ATOM 411 N THR A 27 51.473 -7.395 18.809 1.00 0.00 N ATOM 412 CA THR A 27 52.215 -8.399 17.995 1.00 0.00 C ATOM 413 C THR A 27 51.372 -8.803 16.784 1.00 0.00 C ATOM 414 O THR A 27 51.641 -9.793 16.133 1.00 0.00 O ATOM 415 CB THR A 27 52.502 -9.635 18.850 1.00 0.00 C ATOM 416 OG1 THR A 27 51.353 -9.950 19.626 1.00 0.00 O ATOM 417 CG2 THR A 27 53.684 -9.354 19.778 1.00 0.00 C ATOM 0 H THR A 27 50.845 -7.785 19.512 1.00 0.00 H new ATOM 0 HA THR A 27 53.154 -7.965 17.653 1.00 0.00 H new ATOM 0 HB THR A 27 52.745 -10.476 18.201 1.00 0.00 H new ATOM 0 HG1 THR A 27 51.535 -10.743 20.173 1.00 0.00 H new ATOM 0 HG21 THR A 27 53.887 -10.236 20.386 1.00 0.00 H new ATOM 0 HG22 THR A 27 54.565 -9.113 19.183 1.00 0.00 H new ATOM 0 HG23 THR A 27 53.444 -8.512 20.428 1.00 0.00 H new ATOM 425 N CYS A 28 50.354 -8.048 16.475 1.00 0.00 N ATOM 426 CA CYS A 28 49.500 -8.398 15.306 1.00 0.00 C ATOM 427 C CYS A 28 49.501 -7.241 14.304 1.00 0.00 C ATOM 428 O CYS A 28 49.312 -7.434 13.119 1.00 0.00 O ATOM 429 CB CYS A 28 48.070 -8.662 15.781 1.00 0.00 C ATOM 430 SG CYS A 28 47.226 -9.732 14.589 1.00 0.00 S ATOM 0 H CYS A 28 50.077 -7.206 16.980 1.00 0.00 H new ATOM 0 HA CYS A 28 49.894 -9.293 14.824 1.00 0.00 H new ATOM 0 HB2 CYS A 28 48.083 -9.134 16.764 1.00 0.00 H new ATOM 0 HB3 CYS A 28 47.531 -7.721 15.886 1.00 0.00 H new ATOM 0 HG CYS A 28 46.011 -9.958 14.993 1.00 0.00 H new ATOM 436 N GLY A 29 49.714 -6.040 14.767 1.00 0.00 N ATOM 437 CA GLY A 29 49.728 -4.876 13.837 1.00 0.00 C ATOM 438 C GLY A 29 50.837 -5.064 12.801 1.00 0.00 C ATOM 439 O GLY A 29 51.818 -5.740 13.043 1.00 0.00 O ATOM 0 H GLY A 29 49.879 -5.815 15.748 1.00 0.00 H new ATOM 0 HA2 GLY A 29 48.763 -4.783 13.339 1.00 0.00 H new ATOM 0 HA3 GLY A 29 49.889 -3.953 14.395 1.00 0.00 H new ATOM 443 N ARG A 30 50.693 -4.470 11.648 1.00 0.00 N ATOM 444 CA ARG A 30 51.742 -4.617 10.599 1.00 0.00 C ATOM 445 C ARG A 30 52.623 -3.366 10.582 1.00 0.00 C ATOM 446 O ARG A 30 52.405 -2.431 11.327 1.00 0.00 O ATOM 447 CB ARG A 30 51.076 -4.791 9.233 1.00 0.00 C ATOM 448 CG ARG A 30 49.872 -3.853 9.128 1.00 0.00 C ATOM 449 CD ARG A 30 49.344 -3.856 7.693 1.00 0.00 C ATOM 450 NE ARG A 30 47.957 -4.400 7.677 1.00 0.00 N ATOM 451 CZ ARG A 30 46.944 -3.613 7.919 1.00 0.00 C ATOM 452 NH1 ARG A 30 46.781 -3.107 9.112 1.00 0.00 N ATOM 453 NH2 ARG A 30 46.094 -3.333 6.970 1.00 0.00 N ATOM 0 H ARG A 30 49.896 -3.890 11.387 1.00 0.00 H new ATOM 0 HA ARG A 30 52.356 -5.491 10.817 1.00 0.00 H new ATOM 0 HB2 ARG A 30 51.790 -4.574 8.438 1.00 0.00 H new ATOM 0 HB3 ARG A 30 50.757 -5.825 9.101 1.00 0.00 H new ATOM 0 HG2 ARG A 30 49.088 -4.172 9.815 1.00 0.00 H new ATOM 0 HG3 ARG A 30 50.159 -2.842 9.419 1.00 0.00 H new ATOM 0 HD2 ARG A 30 49.354 -2.844 7.288 1.00 0.00 H new ATOM 0 HD3 ARG A 30 49.991 -4.460 7.057 1.00 0.00 H new ATOM 0 HE ARG A 30 47.799 -5.388 7.477 1.00 0.00 H new ATOM 0 HH11 ARG A 30 47.445 -3.327 9.854 1.00 0.00 H new ATOM 0 HH12 ARG A 30 45.990 -2.492 9.301 1.00 0.00 H new ATOM 0 HH21 ARG A 30 46.221 -3.729 6.039 1.00 0.00 H new ATOM 0 HH22 ARG A 30 45.303 -2.718 7.159 1.00 0.00 H new ATOM 467 N SER A 31 53.620 -3.341 9.740 1.00 0.00 N ATOM 468 CA SER A 31 54.513 -2.150 9.679 1.00 0.00 C ATOM 469 C SER A 31 54.464 -1.543 8.276 1.00 0.00 C ATOM 470 O SER A 31 53.978 -2.150 7.343 1.00 0.00 O ATOM 471 CB SER A 31 55.947 -2.572 10.002 1.00 0.00 C ATOM 472 OG SER A 31 55.984 -3.153 11.299 1.00 0.00 O ATOM 0 H SER A 31 53.854 -4.093 9.092 1.00 0.00 H new ATOM 0 HA SER A 31 54.179 -1.409 10.405 1.00 0.00 H new ATOM 0 HB2 SER A 31 56.304 -3.287 9.260 1.00 0.00 H new ATOM 0 HB3 SER A 31 56.611 -1.709 9.958 1.00 0.00 H new ATOM 0 HG SER A 31 56.901 -3.426 11.509 1.00 0.00 H new ATOM 478 N ASP A 32 54.966 -0.349 8.120 1.00 0.00 N ATOM 479 CA ASP A 32 54.949 0.297 6.778 1.00 0.00 C ATOM 480 C ASP A 32 56.383 0.434 6.261 1.00 0.00 C ATOM 481 O ASP A 32 57.327 0.472 7.026 1.00 0.00 O ATOM 482 CB ASP A 32 54.311 1.683 6.887 1.00 0.00 C ATOM 483 CG ASP A 32 52.804 1.536 7.105 1.00 0.00 C ATOM 484 OD1 ASP A 32 52.418 1.167 8.202 1.00 0.00 O ATOM 485 OD2 ASP A 32 52.063 1.793 6.171 1.00 0.00 O ATOM 0 H ASP A 32 55.387 0.207 8.864 1.00 0.00 H new ATOM 0 HA ASP A 32 54.370 -0.315 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 32 54.756 2.236 7.714 1.00 0.00 H new ATOM 0 HB3 ASP A 32 54.504 2.256 5.980 1.00 0.00 H new ATOM 490 N THR A 33 56.555 0.507 4.969 1.00 0.00 N ATOM 491 CA THR A 33 57.929 0.641 4.407 1.00 0.00 C ATOM 492 C THR A 33 57.955 1.770 3.375 1.00 0.00 C ATOM 493 O THR A 33 57.416 1.647 2.293 1.00 0.00 O ATOM 494 CB THR A 33 58.334 -0.672 3.734 1.00 0.00 C ATOM 495 OG1 THR A 33 58.010 -1.760 4.588 1.00 0.00 O ATOM 496 CG2 THR A 33 59.840 -0.665 3.463 1.00 0.00 C ATOM 0 H THR A 33 55.804 0.480 4.279 1.00 0.00 H new ATOM 0 HA THR A 33 58.628 0.870 5.212 1.00 0.00 H new ATOM 0 HB THR A 33 57.798 -0.778 2.791 1.00 0.00 H new ATOM 0 HG1 THR A 33 58.268 -2.602 4.157 1.00 0.00 H new ATOM 0 HG21 THR A 33 60.128 -1.601 2.984 1.00 0.00 H new ATOM 0 HG22 THR A 33 60.088 0.170 2.807 1.00 0.00 H new ATOM 0 HG23 THR A 33 60.379 -0.559 4.405 1.00 0.00 H new ATOM 504 N TYR A 34 58.578 2.871 3.700 1.00 0.00 N ATOM 505 CA TYR A 34 58.640 4.006 2.735 1.00 0.00 C ATOM 506 C TYR A 34 60.046 4.088 2.139 1.00 0.00 C ATOM 507 O TYR A 34 60.977 3.490 2.641 1.00 0.00 O ATOM 508 CB TYR A 34 58.318 5.312 3.464 1.00 0.00 C ATOM 509 CG TYR A 34 57.080 5.121 4.306 1.00 0.00 C ATOM 510 CD1 TYR A 34 56.051 4.285 3.856 1.00 0.00 C ATOM 511 CD2 TYR A 34 56.960 5.779 5.536 1.00 0.00 C ATOM 512 CE1 TYR A 34 54.903 4.106 4.636 1.00 0.00 C ATOM 513 CE2 TYR A 34 55.811 5.601 6.316 1.00 0.00 C ATOM 514 CZ TYR A 34 54.782 4.765 5.866 1.00 0.00 C ATOM 515 OH TYR A 34 53.649 4.590 6.634 1.00 0.00 O ATOM 0 H TYR A 34 59.046 3.033 4.592 1.00 0.00 H new ATOM 0 HA TYR A 34 57.915 3.847 1.937 1.00 0.00 H new ATOM 0 HB2 TYR A 34 59.158 5.607 4.093 1.00 0.00 H new ATOM 0 HB3 TYR A 34 58.162 6.115 2.744 1.00 0.00 H new ATOM 0 HD1 TYR A 34 56.143 3.778 2.907 1.00 0.00 H new ATOM 0 HD2 TYR A 34 57.754 6.424 5.883 1.00 0.00 H new ATOM 0 HE1 TYR A 34 54.110 3.460 4.289 1.00 0.00 H new ATOM 0 HE2 TYR A 34 55.718 6.109 7.265 1.00 0.00 H new ATOM 0 HH TYR A 34 53.727 5.117 7.457 1.00 0.00 H new ATOM 525 N TYR A 35 60.212 4.820 1.070 1.00 0.00 N ATOM 526 CA TYR A 35 61.563 4.926 0.452 1.00 0.00 C ATOM 527 C TYR A 35 61.877 6.389 0.133 1.00 0.00 C ATOM 528 O TYR A 35 61.029 7.136 -0.316 1.00 0.00 O ATOM 529 CB TYR A 35 61.597 4.107 -0.837 1.00 0.00 C ATOM 530 CG TYR A 35 61.066 2.722 -0.566 1.00 0.00 C ATOM 531 CD1 TYR A 35 59.711 2.542 -0.270 1.00 0.00 C ATOM 532 CD2 TYR A 35 61.927 1.620 -0.606 1.00 0.00 C ATOM 533 CE1 TYR A 35 59.214 1.258 -0.016 1.00 0.00 C ATOM 534 CE2 TYR A 35 61.431 0.335 -0.352 1.00 0.00 C ATOM 535 CZ TYR A 35 60.075 0.155 -0.056 1.00 0.00 C ATOM 536 OH TYR A 35 59.586 -1.111 0.196 1.00 0.00 O ATOM 0 H TYR A 35 59.475 5.346 0.601 1.00 0.00 H new ATOM 0 HA TYR A 35 62.308 4.544 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 35 60.997 4.594 -1.606 1.00 0.00 H new ATOM 0 HB3 TYR A 35 62.617 4.049 -1.217 1.00 0.00 H new ATOM 0 HD1 TYR A 35 59.048 3.394 -0.237 1.00 0.00 H new ATOM 0 HD2 TYR A 35 62.974 1.760 -0.833 1.00 0.00 H new ATOM 0 HE1 TYR A 35 58.167 1.119 0.211 1.00 0.00 H new ATOM 0 HE2 TYR A 35 62.095 -0.516 -0.385 1.00 0.00 H new ATOM 0 HH TYR A 35 60.100 -1.768 -0.318 1.00 0.00 H new ATOM 546 N GLN A 36 63.096 6.799 0.356 1.00 0.00 N ATOM 547 CA GLN A 36 63.478 8.208 0.062 1.00 0.00 C ATOM 548 C GLN A 36 64.653 8.218 -0.917 1.00 0.00 C ATOM 549 O GLN A 36 65.657 7.567 -0.702 1.00 0.00 O ATOM 550 CB GLN A 36 63.887 8.909 1.359 1.00 0.00 C ATOM 551 CG GLN A 36 64.559 10.244 1.028 1.00 0.00 C ATOM 552 CD GLN A 36 65.022 10.919 2.320 1.00 0.00 C ATOM 553 OE1 GLN A 36 66.170 11.298 2.444 1.00 0.00 O ATOM 554 NE2 GLN A 36 64.171 11.089 3.294 1.00 0.00 N ATOM 0 H GLN A 36 63.845 6.217 0.730 1.00 0.00 H new ATOM 0 HA GLN A 36 62.630 8.732 -0.379 1.00 0.00 H new ATOM 0 HB2 GLN A 36 63.011 9.076 1.986 1.00 0.00 H new ATOM 0 HB3 GLN A 36 64.570 8.277 1.927 1.00 0.00 H new ATOM 0 HG2 GLN A 36 65.409 10.080 0.366 1.00 0.00 H new ATOM 0 HG3 GLN A 36 63.862 10.892 0.497 1.00 0.00 H new ATOM 0 HE21 GLN A 36 63.207 10.771 3.191 1.00 0.00 H new ATOM 0 HE22 GLN A 36 64.469 11.540 4.159 1.00 0.00 H new ATOM 563 N SER A 37 64.537 8.950 -1.990 1.00 0.00 N ATOM 564 CA SER A 37 65.646 9.001 -2.984 1.00 0.00 C ATOM 565 C SER A 37 66.727 9.969 -2.492 1.00 0.00 C ATOM 566 O SER A 37 66.508 10.715 -1.558 1.00 0.00 O ATOM 567 CB SER A 37 65.100 9.484 -4.327 1.00 0.00 C ATOM 568 OG SER A 37 65.245 10.896 -4.410 1.00 0.00 O ATOM 0 H SER A 37 63.721 9.516 -2.222 1.00 0.00 H new ATOM 0 HA SER A 37 66.077 8.007 -3.103 1.00 0.00 H new ATOM 0 HB2 SER A 37 65.636 9.003 -5.145 1.00 0.00 H new ATOM 0 HB3 SER A 37 64.050 9.208 -4.427 1.00 0.00 H new ATOM 0 HG SER A 37 65.262 11.168 -5.351 1.00 0.00 H new ATOM 574 N PRO A 38 67.863 9.928 -3.140 1.00 0.00 N ATOM 575 CA PRO A 38 69.006 10.792 -2.796 1.00 0.00 C ATOM 576 C PRO A 38 68.793 12.206 -3.349 1.00 0.00 C ATOM 577 O PRO A 38 69.662 13.052 -3.270 1.00 0.00 O ATOM 578 CB PRO A 38 70.192 10.108 -3.481 1.00 0.00 C ATOM 579 CG PRO A 38 69.600 9.244 -4.620 1.00 0.00 C ATOM 580 CD PRO A 38 68.117 9.014 -4.274 1.00 0.00 C ATOM 0 HA PRO A 38 69.150 10.906 -1.722 1.00 0.00 H new ATOM 0 HB2 PRO A 38 70.890 10.846 -3.876 1.00 0.00 H new ATOM 0 HB3 PRO A 38 70.746 9.491 -2.774 1.00 0.00 H new ATOM 0 HG2 PRO A 38 69.700 9.749 -5.581 1.00 0.00 H new ATOM 0 HG3 PRO A 38 70.130 8.295 -4.702 1.00 0.00 H new ATOM 0 HD2 PRO A 38 67.470 9.242 -5.121 1.00 0.00 H new ATOM 0 HD3 PRO A 38 67.929 7.976 -3.999 1.00 0.00 H new ATOM 588 N THR A 39 67.642 12.468 -3.908 1.00 0.00 N ATOM 589 CA THR A 39 67.373 13.825 -4.463 1.00 0.00 C ATOM 590 C THR A 39 66.279 14.506 -3.638 1.00 0.00 C ATOM 591 O THR A 39 66.192 15.717 -3.583 1.00 0.00 O ATOM 592 CB THR A 39 66.910 13.701 -5.917 1.00 0.00 C ATOM 593 OG1 THR A 39 65.528 13.368 -5.944 1.00 0.00 O ATOM 594 CG2 THR A 39 67.715 12.609 -6.621 1.00 0.00 C ATOM 0 H THR A 39 66.877 11.801 -4.004 1.00 0.00 H new ATOM 0 HA THR A 39 68.285 14.420 -4.421 1.00 0.00 H new ATOM 0 HB THR A 39 67.066 14.649 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 39 65.318 12.910 -6.785 1.00 0.00 H new ATOM 0 HG21 THR A 39 67.384 12.523 -7.656 1.00 0.00 H new ATOM 0 HG22 THR A 39 68.774 12.866 -6.599 1.00 0.00 H new ATOM 0 HG23 THR A 39 67.562 11.658 -6.111 1.00 0.00 H new ATOM 602 N GLY A 40 65.443 13.738 -2.993 1.00 0.00 N ATOM 603 CA GLY A 40 64.357 14.344 -2.172 1.00 0.00 C ATOM 604 C GLY A 40 62.998 13.820 -2.644 1.00 0.00 C ATOM 605 O GLY A 40 61.965 14.377 -2.328 1.00 0.00 O ATOM 0 H GLY A 40 65.465 12.718 -2.999 1.00 0.00 H new ATOM 0 HA2 GLY A 40 64.505 14.101 -1.120 1.00 0.00 H new ATOM 0 HA3 GLY A 40 64.388 15.430 -2.256 1.00 0.00 H new ATOM 609 N ASP A 41 62.987 12.752 -3.395 1.00 0.00 N ATOM 610 CA ASP A 41 61.692 12.196 -3.880 1.00 0.00 C ATOM 611 C ASP A 41 61.145 11.213 -2.843 1.00 0.00 C ATOM 612 O ASP A 41 61.631 10.108 -2.705 1.00 0.00 O ATOM 613 CB ASP A 41 61.912 11.468 -5.208 1.00 0.00 C ATOM 614 CG ASP A 41 60.802 11.851 -6.188 1.00 0.00 C ATOM 615 OD1 ASP A 41 60.867 12.942 -6.730 1.00 0.00 O ATOM 616 OD2 ASP A 41 59.905 11.047 -6.380 1.00 0.00 O ATOM 0 H ASP A 41 63.818 12.241 -3.693 1.00 0.00 H new ATOM 0 HA ASP A 41 60.979 13.007 -4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 41 62.885 11.731 -5.623 1.00 0.00 H new ATOM 0 HB3 ASP A 41 61.915 10.390 -5.048 1.00 0.00 H new ATOM 621 N ARG A 42 60.140 11.608 -2.111 1.00 0.00 N ATOM 622 CA ARG A 42 59.567 10.697 -1.082 1.00 0.00 C ATOM 623 C ARG A 42 58.438 9.869 -1.698 1.00 0.00 C ATOM 624 O ARG A 42 57.349 10.357 -1.926 1.00 0.00 O ATOM 625 CB ARG A 42 59.016 11.527 0.080 1.00 0.00 C ATOM 626 CG ARG A 42 59.538 10.962 1.404 1.00 0.00 C ATOM 627 CD ARG A 42 60.877 11.618 1.748 1.00 0.00 C ATOM 628 NE ARG A 42 60.638 12.823 2.590 1.00 0.00 N ATOM 629 CZ ARG A 42 60.679 12.729 3.891 1.00 0.00 C ATOM 630 NH1 ARG A 42 60.047 11.760 4.495 1.00 0.00 N ATOM 631 NH2 ARG A 42 61.351 13.603 4.587 1.00 0.00 N ATOM 0 H ARG A 42 59.692 12.521 -2.181 1.00 0.00 H new ATOM 0 HA ARG A 42 60.346 10.028 -0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 42 59.319 12.569 -0.028 1.00 0.00 H new ATOM 0 HB3 ARG A 42 57.926 11.509 0.069 1.00 0.00 H new ATOM 0 HG2 ARG A 42 58.816 11.146 2.200 1.00 0.00 H new ATOM 0 HG3 ARG A 42 59.660 9.882 1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 42 61.515 10.911 2.279 1.00 0.00 H new ATOM 0 HD3 ARG A 42 61.402 11.898 0.835 1.00 0.00 H new ATOM 0 HE ARG A 42 60.442 13.722 2.150 1.00 0.00 H new ATOM 0 HH11 ARG A 42 59.521 11.076 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 42 60.079 11.686 5.512 1.00 0.00 H new ATOM 0 HH21 ARG A 42 61.845 14.360 4.115 1.00 0.00 H new ATOM 0 HH22 ARG A 42 61.383 13.529 5.604 1.00 0.00 H new ATOM 645 N ILE A 43 58.689 8.615 -1.964 1.00 0.00 N ATOM 646 CA ILE A 43 57.629 7.751 -2.560 1.00 0.00 C ATOM 647 C ILE A 43 57.172 6.731 -1.519 1.00 0.00 C ATOM 648 O ILE A 43 57.921 6.348 -0.643 1.00 0.00 O ATOM 649 CB ILE A 43 58.190 7.017 -3.777 1.00 0.00 C ATOM 650 CG1 ILE A 43 58.856 8.022 -4.718 1.00 0.00 C ATOM 651 CG2 ILE A 43 57.050 6.311 -4.512 1.00 0.00 C ATOM 652 CD1 ILE A 43 60.254 7.525 -5.086 1.00 0.00 C ATOM 0 H ILE A 43 59.582 8.152 -1.794 1.00 0.00 H new ATOM 0 HA ILE A 43 56.785 8.368 -2.869 1.00 0.00 H new ATOM 0 HB ILE A 43 58.926 6.282 -3.451 1.00 0.00 H new ATOM 0 HG12 ILE A 43 58.254 8.148 -5.618 1.00 0.00 H new ATOM 0 HG13 ILE A 43 58.920 8.999 -4.238 1.00 0.00 H new ATOM 0 HG21 ILE A 43 57.447 5.786 -5.381 1.00 0.00 H new ATOM 0 HG22 ILE A 43 56.574 5.595 -3.842 1.00 0.00 H new ATOM 0 HG23 ILE A 43 56.316 7.048 -4.837 1.00 0.00 H new ATOM 0 HD11 ILE A 43 60.730 8.241 -5.757 1.00 0.00 H new ATOM 0 HD12 ILE A 43 60.853 7.422 -4.181 1.00 0.00 H new ATOM 0 HD13 ILE A 43 60.177 6.558 -5.583 1.00 0.00 H new ATOM 664 N ARG A 44 55.949 6.287 -1.602 1.00 0.00 N ATOM 665 CA ARG A 44 55.461 5.295 -0.608 1.00 0.00 C ATOM 666 C ARG A 44 54.878 4.079 -1.325 1.00 0.00 C ATOM 667 O ARG A 44 54.436 3.137 -0.702 1.00 0.00 O ATOM 668 CB ARG A 44 54.389 5.931 0.271 1.00 0.00 C ATOM 669 CG ARG A 44 54.624 5.510 1.719 1.00 0.00 C ATOM 670 CD ARG A 44 53.611 6.211 2.625 1.00 0.00 C ATOM 671 NE ARG A 44 52.238 6.012 2.083 1.00 0.00 N ATOM 672 CZ ARG A 44 51.345 6.955 2.207 1.00 0.00 C ATOM 673 NH1 ARG A 44 51.406 8.016 1.450 1.00 0.00 N ATOM 674 NH2 ARG A 44 50.390 6.838 3.090 1.00 0.00 N ATOM 0 H ARG A 44 55.271 6.567 -2.311 1.00 0.00 H new ATOM 0 HA ARG A 44 56.298 4.976 0.014 1.00 0.00 H new ATOM 0 HB2 ARG A 44 54.425 7.017 0.183 1.00 0.00 H new ATOM 0 HB3 ARG A 44 53.398 5.618 -0.057 1.00 0.00 H new ATOM 0 HG2 ARG A 44 54.526 4.429 1.815 1.00 0.00 H new ATOM 0 HG3 ARG A 44 55.639 5.767 2.023 1.00 0.00 H new ATOM 0 HD2 ARG A 44 53.675 5.812 3.637 1.00 0.00 H new ATOM 0 HD3 ARG A 44 53.838 7.275 2.687 1.00 0.00 H new ATOM 0 HE ARG A 44 51.996 5.139 1.615 1.00 0.00 H new ATOM 0 HH11 ARG A 44 52.152 8.109 0.761 1.00 0.00 H new ATOM 0 HH12 ARG A 44 50.707 8.753 1.547 1.00 0.00 H new ATOM 0 HH21 ARG A 44 50.342 6.009 3.683 1.00 0.00 H new ATOM 0 HH22 ARG A 44 49.692 7.575 3.187 1.00 0.00 H new ATOM 688 N SER A 45 54.884 4.082 -2.627 1.00 0.00 N ATOM 689 CA SER A 45 54.343 2.912 -3.370 1.00 0.00 C ATOM 690 C SER A 45 55.496 1.965 -3.689 1.00 0.00 C ATOM 691 O SER A 45 56.647 2.281 -3.463 1.00 0.00 O ATOM 692 CB SER A 45 53.683 3.381 -4.663 1.00 0.00 C ATOM 693 OG SER A 45 52.294 3.578 -4.436 1.00 0.00 O ATOM 0 H SER A 45 55.239 4.842 -3.208 1.00 0.00 H new ATOM 0 HA SER A 45 53.597 2.398 -2.764 1.00 0.00 H new ATOM 0 HB2 SER A 45 54.143 4.309 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 45 53.833 2.642 -5.450 1.00 0.00 H new ATOM 0 HG SER A 45 51.867 3.881 -5.264 1.00 0.00 H new ATOM 699 N LYS A 46 55.207 0.803 -4.199 1.00 0.00 N ATOM 700 CA LYS A 46 56.303 -0.153 -4.509 1.00 0.00 C ATOM 701 C LYS A 46 56.780 0.042 -5.946 1.00 0.00 C ATOM 702 O LYS A 46 57.917 0.397 -6.187 1.00 0.00 O ATOM 703 CB LYS A 46 55.799 -1.586 -4.334 1.00 0.00 C ATOM 704 CG LYS A 46 56.958 -2.558 -4.555 1.00 0.00 C ATOM 705 CD LYS A 46 56.462 -3.995 -4.390 1.00 0.00 C ATOM 706 CE LYS A 46 55.312 -4.254 -5.364 1.00 0.00 C ATOM 707 NZ LYS A 46 55.351 -5.674 -5.813 1.00 0.00 N ATOM 0 H LYS A 46 54.265 0.475 -4.414 1.00 0.00 H new ATOM 0 HA LYS A 46 57.134 0.030 -3.828 1.00 0.00 H new ATOM 0 HB2 LYS A 46 55.383 -1.718 -3.335 1.00 0.00 H new ATOM 0 HB3 LYS A 46 54.997 -1.791 -5.043 1.00 0.00 H new ATOM 0 HG2 LYS A 46 57.377 -2.420 -5.552 1.00 0.00 H new ATOM 0 HG3 LYS A 46 57.757 -2.355 -3.842 1.00 0.00 H new ATOM 0 HD2 LYS A 46 57.276 -4.695 -4.577 1.00 0.00 H new ATOM 0 HD3 LYS A 46 56.129 -4.160 -3.365 1.00 0.00 H new ATOM 0 HE2 LYS A 46 54.358 -4.040 -4.882 1.00 0.00 H new ATOM 0 HE3 LYS A 46 55.392 -3.588 -6.223 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 55.633 -5.714 -6.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 56.039 -6.201 -5.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 54.408 -6.099 -5.702 1.00 0.00 H new ATOM 721 N VAL A 47 55.931 -0.190 -6.906 1.00 0.00 N ATOM 722 CA VAL A 47 56.364 -0.017 -8.319 1.00 0.00 C ATOM 723 C VAL A 47 56.305 1.465 -8.688 1.00 0.00 C ATOM 724 O VAL A 47 56.817 1.878 -9.708 1.00 0.00 O ATOM 725 CB VAL A 47 55.465 -0.833 -9.250 1.00 0.00 C ATOM 726 CG1 VAL A 47 55.948 -0.671 -10.692 1.00 0.00 C ATOM 727 CG2 VAL A 47 55.543 -2.313 -8.854 1.00 0.00 C ATOM 0 H VAL A 47 54.965 -0.489 -6.776 1.00 0.00 H new ATOM 0 HA VAL A 47 57.388 -0.374 -8.430 1.00 0.00 H new ATOM 0 HB VAL A 47 54.436 -0.482 -9.168 1.00 0.00 H new ATOM 0 HG11 VAL A 47 55.309 -1.252 -11.357 1.00 0.00 H new ATOM 0 HG12 VAL A 47 55.905 0.381 -10.974 1.00 0.00 H new ATOM 0 HG13 VAL A 47 56.975 -1.027 -10.774 1.00 0.00 H new ATOM 0 HG21 VAL A 47 54.904 -2.900 -9.514 1.00 0.00 H new ATOM 0 HG22 VAL A 47 56.573 -2.660 -8.943 1.00 0.00 H new ATOM 0 HG23 VAL A 47 55.207 -2.432 -7.824 1.00 0.00 H new ATOM 737 N GLU A 48 55.710 2.276 -7.853 1.00 0.00 N ATOM 738 CA GLU A 48 55.659 3.733 -8.156 1.00 0.00 C ATOM 739 C GLU A 48 57.024 4.328 -7.833 1.00 0.00 C ATOM 740 O GLU A 48 57.593 5.064 -8.614 1.00 0.00 O ATOM 741 CB GLU A 48 54.596 4.422 -7.300 1.00 0.00 C ATOM 742 CG GLU A 48 53.878 5.483 -8.138 1.00 0.00 C ATOM 743 CD GLU A 48 54.026 6.851 -7.469 1.00 0.00 C ATOM 744 OE1 GLU A 48 54.115 6.888 -6.253 1.00 0.00 O ATOM 745 OE2 GLU A 48 54.048 7.839 -8.185 1.00 0.00 O ATOM 0 H GLU A 48 55.261 1.994 -6.982 1.00 0.00 H new ATOM 0 HA GLU A 48 55.406 3.881 -9.206 1.00 0.00 H new ATOM 0 HB2 GLU A 48 53.879 3.689 -6.930 1.00 0.00 H new ATOM 0 HB3 GLU A 48 55.059 4.883 -6.428 1.00 0.00 H new ATOM 0 HG2 GLU A 48 54.297 5.511 -9.144 1.00 0.00 H new ATOM 0 HG3 GLU A 48 52.823 5.229 -8.239 1.00 0.00 H new ATOM 752 N LEU A 49 57.566 3.995 -6.691 1.00 0.00 N ATOM 753 CA LEU A 49 58.906 4.525 -6.336 1.00 0.00 C ATOM 754 C LEU A 49 59.925 3.875 -7.271 1.00 0.00 C ATOM 755 O LEU A 49 60.968 4.427 -7.571 1.00 0.00 O ATOM 756 CB LEU A 49 59.218 4.191 -4.873 1.00 0.00 C ATOM 757 CG LEU A 49 59.619 2.720 -4.740 1.00 0.00 C ATOM 758 CD1 LEU A 49 61.108 2.567 -5.051 1.00 0.00 C ATOM 759 CD2 LEU A 49 59.343 2.249 -3.308 1.00 0.00 C ATOM 0 H LEU A 49 57.139 3.383 -5.996 1.00 0.00 H new ATOM 0 HA LEU A 49 58.941 5.609 -6.448 1.00 0.00 H new ATOM 0 HB2 LEU A 49 60.024 4.829 -4.511 1.00 0.00 H new ATOM 0 HB3 LEU A 49 58.346 4.395 -4.252 1.00 0.00 H new ATOM 0 HG LEU A 49 59.041 2.118 -5.441 1.00 0.00 H new ATOM 0 HD11 LEU A 49 61.394 1.519 -4.956 1.00 0.00 H new ATOM 0 HD12 LEU A 49 61.304 2.906 -6.068 1.00 0.00 H new ATOM 0 HD13 LEU A 49 61.689 3.166 -4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 49 59.627 1.201 -3.208 1.00 0.00 H new ATOM 0 HD22 LEU A 49 59.924 2.851 -2.609 1.00 0.00 H new ATOM 0 HD23 LEU A 49 58.281 2.360 -3.087 1.00 0.00 H new ATOM 771 N THR A 50 59.600 2.710 -7.761 1.00 0.00 N ATOM 772 CA THR A 50 60.502 2.008 -8.710 1.00 0.00 C ATOM 773 C THR A 50 60.429 2.736 -10.046 1.00 0.00 C ATOM 774 O THR A 50 61.430 3.082 -10.641 1.00 0.00 O ATOM 775 CB THR A 50 60.021 0.569 -8.889 1.00 0.00 C ATOM 776 OG1 THR A 50 59.732 0.012 -7.616 1.00 0.00 O ATOM 777 CG2 THR A 50 61.104 -0.256 -9.581 1.00 0.00 C ATOM 0 H THR A 50 58.738 2.211 -7.540 1.00 0.00 H new ATOM 0 HA THR A 50 61.525 1.999 -8.335 1.00 0.00 H new ATOM 0 HB THR A 50 59.121 0.559 -9.504 1.00 0.00 H new ATOM 0 HG1 THR A 50 58.875 0.361 -7.293 1.00 0.00 H new ATOM 0 HG21 THR A 50 60.756 -1.281 -9.706 1.00 0.00 H new ATOM 0 HG22 THR A 50 61.321 0.175 -10.558 1.00 0.00 H new ATOM 0 HG23 THR A 50 62.009 -0.252 -8.973 1.00 0.00 H new ATOM 785 N ARG A 51 59.235 2.986 -10.509 1.00 0.00 N ATOM 786 CA ARG A 51 59.066 3.713 -11.793 1.00 0.00 C ATOM 787 C ARG A 51 59.800 5.047 -11.690 1.00 0.00 C ATOM 788 O ARG A 51 60.223 5.617 -12.676 1.00 0.00 O ATOM 789 CB ARG A 51 57.576 3.969 -12.035 1.00 0.00 C ATOM 790 CG ARG A 51 56.993 2.848 -12.897 1.00 0.00 C ATOM 791 CD ARG A 51 57.062 3.257 -14.369 1.00 0.00 C ATOM 792 NE ARG A 51 56.751 2.080 -15.227 1.00 0.00 N ATOM 793 CZ ARG A 51 57.249 0.910 -14.936 1.00 0.00 C ATOM 794 NH1 ARG A 51 58.480 0.624 -15.264 1.00 0.00 N ATOM 795 NH2 ARG A 51 56.517 0.026 -14.315 1.00 0.00 N ATOM 0 H ARG A 51 58.366 2.715 -10.048 1.00 0.00 H new ATOM 0 HA ARG A 51 59.469 3.125 -12.618 1.00 0.00 H new ATOM 0 HB2 ARG A 51 57.047 4.021 -11.083 1.00 0.00 H new ATOM 0 HB3 ARG A 51 57.438 4.930 -12.530 1.00 0.00 H new ATOM 0 HG2 ARG A 51 57.549 1.924 -12.738 1.00 0.00 H new ATOM 0 HG3 ARG A 51 55.960 2.652 -12.610 1.00 0.00 H new ATOM 0 HD2 ARG A 51 56.354 4.062 -14.567 1.00 0.00 H new ATOM 0 HD3 ARG A 51 58.055 3.640 -14.605 1.00 0.00 H new ATOM 0 HE ARG A 51 56.148 2.189 -16.043 1.00 0.00 H new ATOM 0 HH11 ARG A 51 59.053 1.316 -15.748 1.00 0.00 H new ATOM 0 HH12 ARG A 51 58.869 -0.291 -15.036 1.00 0.00 H new ATOM 0 HH21 ARG A 51 55.556 0.250 -14.057 1.00 0.00 H new ATOM 0 HH22 ARG A 51 56.906 -0.889 -14.087 1.00 0.00 H new ATOM 809 N TYR A 52 59.953 5.547 -10.494 1.00 0.00 N ATOM 810 CA TYR A 52 60.658 6.843 -10.313 1.00 0.00 C ATOM 811 C TYR A 52 62.123 6.681 -10.715 1.00 0.00 C ATOM 812 O TYR A 52 62.605 7.337 -11.617 1.00 0.00 O ATOM 813 CB TYR A 52 60.580 7.273 -8.847 1.00 0.00 C ATOM 814 CG TYR A 52 61.406 8.521 -8.650 1.00 0.00 C ATOM 815 CD1 TYR A 52 61.108 9.679 -9.377 1.00 0.00 C ATOM 816 CD2 TYR A 52 62.472 8.519 -7.742 1.00 0.00 C ATOM 817 CE1 TYR A 52 61.875 10.836 -9.197 1.00 0.00 C ATOM 818 CE2 TYR A 52 63.239 9.677 -7.561 1.00 0.00 C ATOM 819 CZ TYR A 52 62.940 10.835 -8.289 1.00 0.00 C ATOM 820 OH TYR A 52 63.696 11.976 -8.112 1.00 0.00 O ATOM 0 H TYR A 52 59.619 5.111 -9.634 1.00 0.00 H new ATOM 0 HA TYR A 52 60.186 7.602 -10.937 1.00 0.00 H new ATOM 0 HB2 TYR A 52 59.544 7.460 -8.565 1.00 0.00 H new ATOM 0 HB3 TYR A 52 60.946 6.475 -8.202 1.00 0.00 H new ATOM 0 HD1 TYR A 52 60.286 9.680 -10.077 1.00 0.00 H new ATOM 0 HD2 TYR A 52 62.703 7.625 -7.182 1.00 0.00 H new ATOM 0 HE1 TYR A 52 61.645 11.729 -9.759 1.00 0.00 H new ATOM 0 HE2 TYR A 52 64.061 9.677 -6.860 1.00 0.00 H new ATOM 0 HH TYR A 52 63.159 12.657 -7.656 1.00 0.00 H new ATOM 830 N LEU A 53 62.839 5.810 -10.054 1.00 0.00 N ATOM 831 CA LEU A 53 64.275 5.615 -10.412 1.00 0.00 C ATOM 832 C LEU A 53 64.378 5.198 -11.881 1.00 0.00 C ATOM 833 O LEU A 53 65.048 5.833 -12.670 1.00 0.00 O ATOM 834 CB LEU A 53 64.889 4.525 -9.530 1.00 0.00 C ATOM 835 CG LEU A 53 64.317 4.626 -8.117 1.00 0.00 C ATOM 836 CD1 LEU A 53 63.351 3.467 -7.878 1.00 0.00 C ATOM 837 CD2 LEU A 53 65.457 4.560 -7.098 1.00 0.00 C ATOM 0 H LEU A 53 62.496 5.230 -9.288 1.00 0.00 H new ATOM 0 HA LEU A 53 64.815 6.549 -10.255 1.00 0.00 H new ATOM 0 HB2 LEU A 53 64.677 3.542 -9.949 1.00 0.00 H new ATOM 0 HB3 LEU A 53 65.973 4.633 -9.503 1.00 0.00 H new ATOM 0 HG LEU A 53 63.787 5.572 -8.005 1.00 0.00 H new ATOM 0 HD11 LEU A 53 62.941 3.537 -6.870 1.00 0.00 H new ATOM 0 HD12 LEU A 53 62.539 3.514 -8.604 1.00 0.00 H new ATOM 0 HD13 LEU A 53 63.882 2.522 -7.989 1.00 0.00 H new ATOM 0 HD21 LEU A 53 65.049 4.632 -6.090 1.00 0.00 H new ATOM 0 HD22 LEU A 53 65.989 3.615 -7.207 1.00 0.00 H new ATOM 0 HD23 LEU A 53 66.147 5.386 -7.270 1.00 0.00 H new ATOM 849 N GLY A 54 63.718 4.136 -12.254 1.00 0.00 N ATOM 850 CA GLY A 54 63.777 3.680 -13.672 1.00 0.00 C ATOM 851 C GLY A 54 64.076 2.179 -13.715 1.00 0.00 C ATOM 852 O GLY A 54 63.702 1.448 -12.819 1.00 0.00 O ATOM 0 H GLY A 54 63.140 3.564 -11.638 1.00 0.00 H new ATOM 0 HA2 GLY A 54 62.830 3.887 -14.171 1.00 0.00 H new ATOM 0 HA3 GLY A 54 64.549 4.231 -14.210 1.00 0.00 H new ATOM 856 N PRO A 55 64.747 1.766 -14.760 1.00 0.00 N ATOM 857 CA PRO A 55 65.119 0.354 -14.956 1.00 0.00 C ATOM 858 C PRO A 55 66.317 -0.007 -14.074 1.00 0.00 C ATOM 859 O PRO A 55 66.655 -1.163 -13.910 1.00 0.00 O ATOM 860 CB PRO A 55 65.486 0.282 -16.441 1.00 0.00 C ATOM 861 CG PRO A 55 65.848 1.724 -16.871 1.00 0.00 C ATOM 862 CD PRO A 55 65.198 2.666 -15.841 1.00 0.00 C ATOM 0 HA PRO A 55 64.325 -0.343 -14.687 1.00 0.00 H new ATOM 0 HB2 PRO A 55 66.326 -0.394 -16.601 1.00 0.00 H new ATOM 0 HB3 PRO A 55 64.652 -0.101 -17.029 1.00 0.00 H new ATOM 0 HG2 PRO A 55 66.929 1.862 -16.894 1.00 0.00 H new ATOM 0 HG3 PRO A 55 65.479 1.933 -17.875 1.00 0.00 H new ATOM 0 HD2 PRO A 55 65.909 3.405 -15.473 1.00 0.00 H new ATOM 0 HD3 PRO A 55 64.363 3.216 -16.276 1.00 0.00 H new ATOM 870 N ALA A 56 66.959 0.973 -13.500 1.00 0.00 N ATOM 871 CA ALA A 56 68.130 0.686 -12.625 1.00 0.00 C ATOM 872 C ALA A 56 67.644 0.021 -11.336 1.00 0.00 C ATOM 873 O ALA A 56 68.400 -0.614 -10.628 1.00 0.00 O ATOM 874 CB ALA A 56 68.848 1.995 -12.288 1.00 0.00 C ATOM 0 H ALA A 56 66.723 1.960 -13.599 1.00 0.00 H new ATOM 0 HA ALA A 56 68.820 0.019 -13.142 1.00 0.00 H new ATOM 0 HB1 ALA A 56 69.705 1.786 -11.648 1.00 0.00 H new ATOM 0 HB2 ALA A 56 69.190 2.470 -13.208 1.00 0.00 H new ATOM 0 HB3 ALA A 56 68.161 2.663 -11.768 1.00 0.00 H new ATOM 880 N CYS A 57 66.383 0.160 -11.030 1.00 0.00 N ATOM 881 CA CYS A 57 65.838 -0.464 -9.791 1.00 0.00 C ATOM 882 C CYS A 57 64.503 -1.139 -10.113 1.00 0.00 C ATOM 883 O CYS A 57 63.757 -0.685 -10.957 1.00 0.00 O ATOM 884 CB CYS A 57 65.623 0.615 -8.728 1.00 0.00 C ATOM 885 SG CYS A 57 67.218 1.087 -8.015 1.00 0.00 S ATOM 0 H CYS A 57 65.705 0.680 -11.586 1.00 0.00 H new ATOM 0 HA CYS A 57 66.542 -1.206 -9.414 1.00 0.00 H new ATOM 0 HB2 CYS A 57 65.139 1.485 -9.171 1.00 0.00 H new ATOM 0 HB3 CYS A 57 64.959 0.244 -7.947 1.00 0.00 H new ATOM 0 HG CYS A 57 68.179 0.592 -8.736 1.00 0.00 H new ATOM 891 N ASP A 58 64.196 -2.223 -9.453 1.00 0.00 N ATOM 892 CA ASP A 58 62.909 -2.921 -9.734 1.00 0.00 C ATOM 893 C ASP A 58 62.262 -3.369 -8.420 1.00 0.00 C ATOM 894 O ASP A 58 62.934 -3.610 -7.437 1.00 0.00 O ATOM 895 CB ASP A 58 63.178 -4.146 -10.610 1.00 0.00 C ATOM 896 CG ASP A 58 64.450 -4.847 -10.130 1.00 0.00 C ATOM 897 OD1 ASP A 58 64.403 -5.462 -9.077 1.00 0.00 O ATOM 898 OD2 ASP A 58 65.451 -4.756 -10.822 1.00 0.00 O ATOM 0 H ASP A 58 64.778 -2.654 -8.735 1.00 0.00 H new ATOM 0 HA ASP A 58 62.235 -2.238 -10.252 1.00 0.00 H new ATOM 0 HB2 ASP A 58 62.332 -4.832 -10.564 1.00 0.00 H new ATOM 0 HB3 ASP A 58 63.287 -3.844 -11.652 1.00 0.00 H new ATOM 903 N LEU A 59 60.961 -3.485 -8.397 1.00 0.00 N ATOM 904 CA LEU A 59 60.271 -3.920 -7.149 1.00 0.00 C ATOM 905 C LEU A 59 59.011 -4.706 -7.509 1.00 0.00 C ATOM 906 O LEU A 59 58.194 -5.006 -6.661 1.00 0.00 O ATOM 907 CB LEU A 59 59.873 -2.696 -6.327 1.00 0.00 C ATOM 908 CG LEU A 59 61.099 -2.141 -5.606 1.00 0.00 C ATOM 909 CD1 LEU A 59 61.765 -1.072 -6.473 1.00 0.00 C ATOM 910 CD2 LEU A 59 60.663 -1.519 -4.279 1.00 0.00 C ATOM 0 H LEU A 59 60.346 -3.297 -9.189 1.00 0.00 H new ATOM 0 HA LEU A 59 60.947 -4.548 -6.569 1.00 0.00 H new ATOM 0 HB2 LEU A 59 59.445 -1.933 -6.977 1.00 0.00 H new ATOM 0 HB3 LEU A 59 59.104 -2.966 -5.603 1.00 0.00 H new ATOM 0 HG LEU A 59 61.808 -2.948 -5.420 1.00 0.00 H new ATOM 0 HD11 LEU A 59 62.640 -0.677 -5.956 1.00 0.00 H new ATOM 0 HD12 LEU A 59 62.072 -1.512 -7.422 1.00 0.00 H new ATOM 0 HD13 LEU A 59 61.059 -0.263 -6.660 1.00 0.00 H new ATOM 0 HD21 LEU A 59 61.535 -1.121 -3.760 1.00 0.00 H new ATOM 0 HD22 LEU A 59 59.955 -0.713 -4.470 1.00 0.00 H new ATOM 0 HD23 LEU A 59 60.188 -2.279 -3.659 1.00 0.00 H new ATOM 922 N THR A 60 58.842 -5.041 -8.757 1.00 0.00 N ATOM 923 CA THR A 60 57.634 -5.804 -9.159 1.00 0.00 C ATOM 924 C THR A 60 57.459 -6.992 -8.215 1.00 0.00 C ATOM 925 O THR A 60 56.362 -7.461 -7.985 1.00 0.00 O ATOM 926 CB THR A 60 57.811 -6.304 -10.593 1.00 0.00 C ATOM 927 OG1 THR A 60 57.778 -5.199 -11.484 1.00 0.00 O ATOM 928 CG2 THR A 60 56.683 -7.271 -10.935 1.00 0.00 C ATOM 0 H THR A 60 59.489 -4.819 -9.514 1.00 0.00 H new ATOM 0 HA THR A 60 56.752 -5.165 -9.106 1.00 0.00 H new ATOM 0 HB THR A 60 58.768 -6.817 -10.687 1.00 0.00 H new ATOM 0 HG1 THR A 60 57.893 -5.517 -12.404 1.00 0.00 H new ATOM 0 HG21 THR A 60 56.808 -7.628 -11.957 1.00 0.00 H new ATOM 0 HG22 THR A 60 56.709 -8.118 -10.249 1.00 0.00 H new ATOM 0 HG23 THR A 60 55.725 -6.759 -10.844 1.00 0.00 H new ATOM 936 N LEU A 61 58.536 -7.481 -7.667 1.00 0.00 N ATOM 937 CA LEU A 61 58.444 -8.638 -6.737 1.00 0.00 C ATOM 938 C LEU A 61 58.800 -8.176 -5.325 1.00 0.00 C ATOM 939 O LEU A 61 58.564 -8.869 -4.355 1.00 0.00 O ATOM 940 CB LEU A 61 59.429 -9.724 -7.182 1.00 0.00 C ATOM 941 CG LEU A 61 58.872 -10.477 -8.400 1.00 0.00 C ATOM 942 CD1 LEU A 61 57.879 -11.543 -7.932 1.00 0.00 C ATOM 943 CD2 LEU A 61 58.158 -9.502 -9.349 1.00 0.00 C ATOM 0 H LEU A 61 59.479 -7.127 -7.825 1.00 0.00 H new ATOM 0 HA LEU A 61 57.431 -9.039 -6.746 1.00 0.00 H new ATOM 0 HB2 LEU A 61 60.390 -9.274 -7.431 1.00 0.00 H new ATOM 0 HB3 LEU A 61 59.607 -10.422 -6.364 1.00 0.00 H new ATOM 0 HG LEU A 61 59.700 -10.949 -8.930 1.00 0.00 H new ATOM 0 HD11 LEU A 61 57.484 -12.077 -8.796 1.00 0.00 H new ATOM 0 HD12 LEU A 61 58.385 -12.247 -7.271 1.00 0.00 H new ATOM 0 HD13 LEU A 61 57.059 -11.066 -7.395 1.00 0.00 H new ATOM 0 HD21 LEU A 61 57.768 -10.049 -10.207 1.00 0.00 H new ATOM 0 HD22 LEU A 61 57.335 -9.019 -8.823 1.00 0.00 H new ATOM 0 HD23 LEU A 61 58.864 -8.745 -9.691 1.00 0.00 H new ATOM 955 N PHE A 62 59.369 -7.009 -5.204 1.00 0.00 N ATOM 956 CA PHE A 62 59.742 -6.500 -3.857 1.00 0.00 C ATOM 957 C PHE A 62 58.550 -6.640 -2.910 1.00 0.00 C ATOM 958 O PHE A 62 57.443 -6.257 -3.229 1.00 0.00 O ATOM 959 CB PHE A 62 60.137 -5.025 -3.957 1.00 0.00 C ATOM 960 CG PHE A 62 60.434 -4.491 -2.576 1.00 0.00 C ATOM 961 CD1 PHE A 62 59.388 -4.267 -1.672 1.00 0.00 C ATOM 962 CD2 PHE A 62 61.754 -4.220 -2.198 1.00 0.00 C ATOM 963 CE1 PHE A 62 59.664 -3.773 -0.391 1.00 0.00 C ATOM 964 CE2 PHE A 62 62.029 -3.726 -0.917 1.00 0.00 C ATOM 965 CZ PHE A 62 60.984 -3.502 -0.014 1.00 0.00 C ATOM 0 H PHE A 62 59.591 -6.386 -5.981 1.00 0.00 H new ATOM 0 HA PHE A 62 60.583 -7.078 -3.474 1.00 0.00 H new ATOM 0 HB2 PHE A 62 61.012 -4.914 -4.598 1.00 0.00 H new ATOM 0 HB3 PHE A 62 59.331 -4.452 -4.415 1.00 0.00 H new ATOM 0 HD1 PHE A 62 58.369 -4.475 -1.963 1.00 0.00 H new ATOM 0 HD2 PHE A 62 62.561 -4.392 -2.895 1.00 0.00 H new ATOM 0 HE1 PHE A 62 58.857 -3.601 0.306 1.00 0.00 H new ATOM 0 HE2 PHE A 62 63.048 -3.518 -0.626 1.00 0.00 H new ATOM 0 HZ PHE A 62 61.196 -3.120 0.974 1.00 0.00 H new ATOM 975 N ASP A 63 58.768 -7.179 -1.745 1.00 0.00 N ATOM 976 CA ASP A 63 57.647 -7.330 -0.780 1.00 0.00 C ATOM 977 C ASP A 63 57.406 -5.988 -0.091 1.00 0.00 C ATOM 978 O ASP A 63 58.120 -5.610 0.816 1.00 0.00 O ATOM 979 CB ASP A 63 58.013 -8.385 0.266 1.00 0.00 C ATOM 980 CG ASP A 63 58.114 -9.755 -0.407 1.00 0.00 C ATOM 981 OD1 ASP A 63 58.528 -9.801 -1.554 1.00 0.00 O ATOM 982 OD2 ASP A 63 57.776 -10.736 0.236 1.00 0.00 O ATOM 0 H ASP A 63 59.672 -7.521 -1.420 1.00 0.00 H new ATOM 0 HA ASP A 63 56.745 -7.644 -1.305 1.00 0.00 H new ATOM 0 HB2 ASP A 63 58.961 -8.130 0.740 1.00 0.00 H new ATOM 0 HB3 ASP A 63 57.260 -8.409 1.053 1.00 0.00 H new ATOM 987 N PHE A 64 56.412 -5.260 -0.523 1.00 0.00 N ATOM 988 CA PHE A 64 56.130 -3.937 0.102 1.00 0.00 C ATOM 989 C PHE A 64 55.667 -4.142 1.546 1.00 0.00 C ATOM 990 O PHE A 64 54.568 -3.779 1.916 1.00 0.00 O ATOM 991 CB PHE A 64 55.041 -3.217 -0.695 1.00 0.00 C ATOM 992 CG PHE A 64 55.365 -1.744 -0.761 1.00 0.00 C ATOM 993 CD1 PHE A 64 56.561 -1.314 -1.354 1.00 0.00 C ATOM 994 CD2 PHE A 64 54.475 -0.808 -0.225 1.00 0.00 C ATOM 995 CE1 PHE A 64 56.862 0.052 -1.408 1.00 0.00 C ATOM 996 CE2 PHE A 64 54.776 0.556 -0.280 1.00 0.00 C ATOM 997 CZ PHE A 64 55.970 0.987 -0.871 1.00 0.00 C ATOM 0 H PHE A 64 55.783 -5.525 -1.282 1.00 0.00 H new ATOM 0 HA PHE A 64 57.036 -3.332 0.099 1.00 0.00 H new ATOM 0 HB2 PHE A 64 54.975 -3.632 -1.701 1.00 0.00 H new ATOM 0 HB3 PHE A 64 54.070 -3.367 -0.224 1.00 0.00 H new ATOM 0 HD1 PHE A 64 57.249 -2.036 -1.769 1.00 0.00 H new ATOM 0 HD2 PHE A 64 53.554 -1.139 0.232 1.00 0.00 H new ATOM 0 HE1 PHE A 64 57.783 0.384 -1.864 1.00 0.00 H new ATOM 0 HE2 PHE A 64 54.087 1.278 0.134 1.00 0.00 H new ATOM 0 HZ PHE A 64 56.202 2.041 -0.912 1.00 0.00 H new ATOM 1007 N LYS A 65 56.504 -4.721 2.363 1.00 0.00 N ATOM 1008 CA LYS A 65 56.133 -4.957 3.785 1.00 0.00 C ATOM 1009 C LYS A 65 57.272 -5.708 4.478 1.00 0.00 C ATOM 1010 O LYS A 65 57.596 -5.450 5.620 1.00 0.00 O ATOM 1011 CB LYS A 65 54.856 -5.797 3.853 1.00 0.00 C ATOM 1012 CG LYS A 65 54.331 -5.812 5.290 1.00 0.00 C ATOM 1013 CD LYS A 65 52.825 -6.078 5.283 1.00 0.00 C ATOM 1014 CE LYS A 65 52.570 -7.568 5.045 1.00 0.00 C ATOM 1015 NZ LYS A 65 51.285 -7.961 5.690 1.00 0.00 N ATOM 0 H LYS A 65 57.436 -5.043 2.103 1.00 0.00 H new ATOM 0 HA LYS A 65 55.961 -4.002 4.281 1.00 0.00 H new ATOM 0 HB2 LYS A 65 54.101 -5.385 3.183 1.00 0.00 H new ATOM 0 HB3 LYS A 65 55.059 -6.814 3.518 1.00 0.00 H new ATOM 0 HG2 LYS A 65 54.844 -6.581 5.867 1.00 0.00 H new ATOM 0 HG3 LYS A 65 54.540 -4.858 5.774 1.00 0.00 H new ATOM 0 HD2 LYS A 65 52.386 -5.770 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 65 52.344 -5.487 4.503 1.00 0.00 H new ATOM 0 HE2 LYS A 65 52.531 -7.775 3.976 1.00 0.00 H new ATOM 0 HE3 LYS A 65 53.390 -8.158 5.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 51.111 -8.974 5.529 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 51.339 -7.778 6.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 50.507 -7.406 5.280 1.00 0.00 H new ATOM 1029 N GLN A 66 57.886 -6.633 3.791 1.00 0.00 N ATOM 1030 CA GLN A 66 59.007 -7.399 4.403 1.00 0.00 C ATOM 1031 C GLN A 66 60.314 -6.633 4.192 1.00 0.00 C ATOM 1032 O GLN A 66 61.089 -6.441 5.108 1.00 0.00 O ATOM 1033 CB GLN A 66 59.108 -8.776 3.743 1.00 0.00 C ATOM 1034 CG GLN A 66 58.832 -9.862 4.785 1.00 0.00 C ATOM 1035 CD GLN A 66 58.447 -11.164 4.080 1.00 0.00 C ATOM 1036 OE1 GLN A 66 59.286 -12.011 3.842 1.00 0.00 O ATOM 1037 NE2 GLN A 66 57.205 -11.361 3.732 1.00 0.00 N ATOM 0 H GLN A 66 57.659 -6.891 2.831 1.00 0.00 H new ATOM 0 HA GLN A 66 58.824 -7.525 5.470 1.00 0.00 H new ATOM 0 HB2 GLN A 66 58.392 -8.852 2.924 1.00 0.00 H new ATOM 0 HB3 GLN A 66 60.100 -8.913 3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 66 59.715 -10.019 5.404 1.00 0.00 H new ATOM 0 HG3 GLN A 66 58.029 -9.546 5.451 1.00 0.00 H new ATOM 0 HE21 GLN A 66 56.501 -10.651 3.931 1.00 0.00 H new ATOM 0 HE22 GLN A 66 56.938 -12.225 3.261 1.00 0.00 H new ATOM 1046 N GLY A 67 60.561 -6.186 2.990 1.00 0.00 N ATOM 1047 CA GLY A 67 61.814 -5.425 2.722 1.00 0.00 C ATOM 1048 C GLY A 67 62.704 -6.208 1.753 1.00 0.00 C ATOM 1049 O GLY A 67 63.903 -6.014 1.707 1.00 0.00 O ATOM 0 H GLY A 67 59.950 -6.315 2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 67 61.574 -4.449 2.300 1.00 0.00 H new ATOM 0 HA3 GLY A 67 62.348 -5.246 3.655 1.00 0.00 H new ATOM 1053 N ILE A 68 62.134 -7.088 0.977 1.00 0.00 N ATOM 1054 CA ILE A 68 62.960 -7.872 0.014 1.00 0.00 C ATOM 1055 C ILE A 68 62.205 -8.017 -1.310 1.00 0.00 C ATOM 1056 O ILE A 68 61.161 -7.432 -1.503 1.00 0.00 O ATOM 1057 CB ILE A 68 63.248 -9.257 0.594 1.00 0.00 C ATOM 1058 CG1 ILE A 68 61.972 -9.824 1.222 1.00 0.00 C ATOM 1059 CG2 ILE A 68 64.336 -9.144 1.663 1.00 0.00 C ATOM 1060 CD1 ILE A 68 61.039 -10.327 0.119 1.00 0.00 C ATOM 0 H ILE A 68 61.136 -7.298 0.967 1.00 0.00 H new ATOM 0 HA ILE A 68 63.901 -7.351 -0.162 1.00 0.00 H new ATOM 0 HB ILE A 68 63.586 -9.921 -0.201 1.00 0.00 H new ATOM 0 HG12 ILE A 68 62.220 -10.639 1.902 1.00 0.00 H new ATOM 0 HG13 ILE A 68 61.473 -9.056 1.813 1.00 0.00 H new ATOM 0 HG21 ILE A 68 64.543 -10.131 2.078 1.00 0.00 H new ATOM 0 HG22 ILE A 68 65.245 -8.741 1.216 1.00 0.00 H new ATOM 0 HG23 ILE A 68 63.997 -8.480 2.458 1.00 0.00 H new ATOM 0 HD11 ILE A 68 60.131 -10.731 0.567 1.00 0.00 H new ATOM 0 HD12 ILE A 68 60.781 -9.501 -0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 68 61.540 -11.108 -0.453 1.00 0.00 H new ATOM 1072 N LEU A 69 62.728 -8.792 -2.224 1.00 0.00 N ATOM 1073 CA LEU A 69 62.047 -8.975 -3.535 1.00 0.00 C ATOM 1074 C LEU A 69 62.397 -10.355 -4.093 1.00 0.00 C ATOM 1075 O LEU A 69 62.924 -11.200 -3.396 1.00 0.00 O ATOM 1076 CB LEU A 69 62.527 -7.902 -4.511 1.00 0.00 C ATOM 1077 CG LEU A 69 64.017 -8.107 -4.790 1.00 0.00 C ATOM 1078 CD1 LEU A 69 64.247 -8.234 -6.296 1.00 0.00 C ATOM 1079 CD2 LEU A 69 64.803 -6.909 -4.254 1.00 0.00 C ATOM 0 H LEU A 69 63.602 -9.307 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 69 60.968 -8.892 -3.402 1.00 0.00 H new ATOM 0 HB2 LEU A 69 61.960 -7.958 -5.440 1.00 0.00 H new ATOM 0 HB3 LEU A 69 62.356 -6.910 -4.093 1.00 0.00 H new ATOM 0 HG LEU A 69 64.355 -9.018 -4.296 1.00 0.00 H new ATOM 0 HD11 LEU A 69 65.309 -8.380 -6.491 1.00 0.00 H new ATOM 0 HD12 LEU A 69 63.687 -9.087 -6.679 1.00 0.00 H new ATOM 0 HD13 LEU A 69 63.908 -7.325 -6.794 1.00 0.00 H new ATOM 0 HD21 LEU A 69 65.865 -7.053 -4.452 1.00 0.00 H new ATOM 0 HD22 LEU A 69 64.462 -5.999 -4.748 1.00 0.00 H new ATOM 0 HD23 LEU A 69 64.643 -6.820 -3.180 1.00 0.00 H new ATOM 1091 N CYS A 70 62.114 -10.592 -5.344 1.00 0.00 N ATOM 1092 CA CYS A 70 62.437 -11.919 -5.937 1.00 0.00 C ATOM 1093 C CYS A 70 62.476 -11.807 -7.464 1.00 0.00 C ATOM 1094 O CYS A 70 61.633 -11.177 -8.071 1.00 0.00 O ATOM 1095 CB CYS A 70 61.363 -12.930 -5.528 1.00 0.00 C ATOM 1096 SG CYS A 70 62.072 -14.595 -5.509 1.00 0.00 S ATOM 0 H CYS A 70 61.674 -9.926 -5.979 1.00 0.00 H new ATOM 0 HA CYS A 70 63.411 -12.250 -5.576 1.00 0.00 H new ATOM 0 HB2 CYS A 70 60.970 -12.680 -4.542 1.00 0.00 H new ATOM 0 HB3 CYS A 70 60.526 -12.888 -6.225 1.00 0.00 H new ATOM 0 HG CYS A 70 61.159 -15.452 -5.159 1.00 0.00 H new ATOM 1102 N TYR A 71 63.444 -12.420 -8.091 1.00 0.00 N ATOM 1103 CA TYR A 71 63.529 -12.356 -9.577 1.00 0.00 C ATOM 1104 C TYR A 71 63.212 -13.739 -10.155 1.00 0.00 C ATOM 1105 O TYR A 71 64.075 -14.592 -10.221 1.00 0.00 O ATOM 1106 CB TYR A 71 64.943 -11.945 -9.996 1.00 0.00 C ATOM 1107 CG TYR A 71 64.872 -10.736 -10.898 1.00 0.00 C ATOM 1108 CD1 TYR A 71 64.549 -10.889 -12.252 1.00 0.00 C ATOM 1109 CD2 TYR A 71 65.130 -9.461 -10.381 1.00 0.00 C ATOM 1110 CE1 TYR A 71 64.484 -9.768 -13.088 1.00 0.00 C ATOM 1111 CE2 TYR A 71 65.065 -8.340 -11.217 1.00 0.00 C ATOM 1112 CZ TYR A 71 64.741 -8.493 -12.570 1.00 0.00 C ATOM 1113 OH TYR A 71 64.677 -7.388 -13.394 1.00 0.00 O ATOM 0 H TYR A 71 64.179 -12.962 -7.637 1.00 0.00 H new ATOM 0 HA TYR A 71 62.815 -11.623 -9.952 1.00 0.00 H new ATOM 0 HB2 TYR A 71 65.543 -11.719 -9.115 1.00 0.00 H new ATOM 0 HB3 TYR A 71 65.434 -12.769 -10.513 1.00 0.00 H new ATOM 0 HD1 TYR A 71 64.350 -11.872 -12.652 1.00 0.00 H new ATOM 0 HD2 TYR A 71 65.379 -9.342 -9.337 1.00 0.00 H new ATOM 0 HE1 TYR A 71 64.236 -9.887 -14.132 1.00 0.00 H new ATOM 0 HE2 TYR A 71 65.265 -7.357 -10.818 1.00 0.00 H new ATOM 0 HH TYR A 71 64.881 -6.581 -12.876 1.00 0.00 H new ATOM 1123 N PRO A 72 61.978 -13.922 -10.550 1.00 0.00 N ATOM 1124 CA PRO A 72 61.510 -15.197 -11.121 1.00 0.00 C ATOM 1125 C PRO A 72 61.977 -15.338 -12.572 1.00 0.00 C ATOM 1126 O PRO A 72 62.255 -14.365 -13.245 1.00 0.00 O ATOM 1127 CB PRO A 72 59.984 -15.088 -11.041 1.00 0.00 C ATOM 1128 CG PRO A 72 59.659 -13.578 -10.966 1.00 0.00 C ATOM 1129 CD PRO A 72 60.937 -12.878 -10.467 1.00 0.00 C ATOM 0 HA PRO A 72 61.896 -16.070 -10.595 1.00 0.00 H new ATOM 0 HB2 PRO A 72 59.516 -15.543 -11.913 1.00 0.00 H new ATOM 0 HB3 PRO A 72 59.602 -15.612 -10.165 1.00 0.00 H new ATOM 0 HG2 PRO A 72 59.364 -13.196 -11.943 1.00 0.00 H new ATOM 0 HG3 PRO A 72 58.826 -13.394 -10.287 1.00 0.00 H new ATOM 0 HD2 PRO A 72 61.187 -12.016 -11.086 1.00 0.00 H new ATOM 0 HD3 PRO A 72 60.819 -12.514 -9.447 1.00 0.00 H new ATOM 1137 N ALA A 73 62.065 -16.547 -13.056 1.00 0.00 N ATOM 1138 CA ALA A 73 62.515 -16.763 -14.460 1.00 0.00 C ATOM 1139 C ALA A 73 62.935 -18.226 -14.638 1.00 0.00 C ATOM 1140 O ALA A 73 62.459 -18.898 -15.532 1.00 0.00 O ATOM 1141 CB ALA A 73 63.700 -15.845 -14.770 1.00 0.00 C ATOM 0 H ALA A 73 61.844 -17.397 -12.537 1.00 0.00 H new ATOM 0 HA ALA A 73 61.697 -16.533 -15.143 1.00 0.00 H new ATOM 0 HB1 ALA A 73 64.026 -16.006 -15.798 1.00 0.00 H new ATOM 0 HB2 ALA A 73 63.398 -14.805 -14.644 1.00 0.00 H new ATOM 0 HB3 ALA A 73 64.521 -16.069 -14.089 1.00 0.00 H new ATOM 1147 N PRO A 74 63.812 -18.680 -13.776 1.00 0.00 N ATOM 1148 CA PRO A 74 64.310 -20.066 -13.812 1.00 0.00 C ATOM 1149 C PRO A 74 63.276 -21.019 -13.204 1.00 0.00 C ATOM 1150 O PRO A 74 63.089 -22.126 -13.669 1.00 0.00 O ATOM 1151 CB PRO A 74 65.579 -20.016 -12.957 1.00 0.00 C ATOM 1152 CG PRO A 74 65.435 -18.782 -12.034 1.00 0.00 C ATOM 1153 CD PRO A 74 64.391 -17.859 -12.691 1.00 0.00 C ATOM 0 HA PRO A 74 64.500 -20.428 -14.822 1.00 0.00 H new ATOM 0 HB2 PRO A 74 65.689 -20.929 -12.371 1.00 0.00 H new ATOM 0 HB3 PRO A 74 66.467 -19.931 -13.584 1.00 0.00 H new ATOM 0 HG2 PRO A 74 65.115 -19.080 -11.036 1.00 0.00 H new ATOM 0 HG3 PRO A 74 66.390 -18.269 -11.922 1.00 0.00 H new ATOM 0 HD2 PRO A 74 63.629 -17.548 -11.977 1.00 0.00 H new ATOM 0 HD3 PRO A 74 64.851 -16.951 -13.081 1.00 0.00 H new ATOM 1161 N LYS A 75 62.604 -20.597 -12.168 1.00 0.00 N ATOM 1162 CA LYS A 75 61.583 -21.478 -11.533 1.00 0.00 C ATOM 1163 C LYS A 75 60.277 -21.400 -12.326 1.00 0.00 C ATOM 1164 O LYS A 75 60.252 -20.693 -13.321 1.00 0.00 O ATOM 1165 CB LYS A 75 61.335 -21.016 -10.096 1.00 0.00 C ATOM 1166 CG LYS A 75 60.646 -19.650 -10.109 1.00 0.00 C ATOM 1167 CD LYS A 75 60.196 -19.293 -8.690 1.00 0.00 C ATOM 1168 CE LYS A 75 58.996 -18.348 -8.756 1.00 0.00 C ATOM 1169 NZ LYS A 75 57.763 -19.131 -9.052 1.00 0.00 N ATOM 1170 OXT LYS A 75 59.325 -22.049 -11.927 1.00 0.00 O ATOM 0 H LYS A 75 62.718 -19.681 -11.734 1.00 0.00 H new ATOM 0 HA LYS A 75 61.943 -22.507 -11.528 1.00 0.00 H new ATOM 0 HB2 LYS A 75 60.715 -21.743 -9.571 1.00 0.00 H new ATOM 0 HB3 LYS A 75 62.279 -20.953 -9.555 1.00 0.00 H new ATOM 0 HG2 LYS A 75 61.329 -18.890 -10.488 1.00 0.00 H new ATOM 0 HG3 LYS A 75 59.787 -19.670 -10.780 1.00 0.00 H new ATOM 0 HD2 LYS A 75 59.930 -20.198 -8.143 1.00 0.00 H new ATOM 0 HD3 LYS A 75 61.014 -18.821 -8.146 1.00 0.00 H new ATOM 0 HE2 LYS A 75 58.885 -17.818 -7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 75 59.155 -17.594 -9.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 56.926 -18.538 -8.882 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 57.775 -19.435 -10.046 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 57.726 -19.967 -8.435 1.00 0.00 H new TER 1184 LYS A 75