USER MOD reduce.3.24.130724 H: found=0, std=0, add=528, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 526 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -119:sc= 0.0959 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 46:sc= 0.302 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 MET CE :methyl 160:sc= -0.0318 (180deg=-0.333) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= -0.13 USER MOD Single : A 17 CYS SG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0379 X(o=-0.038,f=-0.0063) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 166:sc= 0.0805 (180deg=0.0287) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0.0648 USER MOD Single : A 45 SER OG : rot 106:sc= 1.18 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 180:sc= -0.174 USER MOD Single : A 52 MET CE :methyl 159:sc= -0.275 (180deg=-0.792) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 THR OG1 : rot -43:sc= 0.406 USER MOD Single : A 56 THR OG1 : rot 29:sc= 0.624 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0.123 X(o=0.12,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 68 SER OG : rot 180:sc= -0.0113 USER MOD Single : A 69 SER OG : rot 5:sc= 0.607 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.960 -11.761 5.588 1.00 0.00 N ATOM 2 CA GLY A 1 15.764 -11.055 4.608 1.00 0.00 C ATOM 3 C GLY A 1 14.922 -10.396 3.533 1.00 0.00 C ATOM 4 O GLY A 1 13.724 -10.659 3.425 1.00 0.00 O ATOM 0 H1 GLY A 1 15.115 -11.345 6.529 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.954 -11.681 5.335 1.00 0.00 H new ATOM 0 H3 GLY A 1 15.234 -12.764 5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 1 16.363 -10.296 5.112 1.00 0.00 H new ATOM 0 HA3 GLY A 1 16.460 -11.753 4.143 1.00 0.00 H new ATOM 8 N SER A 2 15.548 -9.536 2.737 1.00 0.00 N ATOM 9 CA SER A 2 14.847 -8.833 1.669 1.00 0.00 C ATOM 10 C SER A 2 15.240 -9.389 0.303 1.00 0.00 C ATOM 11 O SER A 2 16.350 -9.887 0.120 1.00 0.00 O ATOM 12 CB SER A 2 15.153 -7.335 1.729 1.00 0.00 C ATOM 13 OG SER A 2 16.511 -7.078 1.416 1.00 0.00 O ATOM 0 H SER A 2 16.540 -9.309 2.811 1.00 0.00 H new ATOM 0 HA SER A 2 13.777 -8.984 1.810 1.00 0.00 H new ATOM 0 HB2 SER A 2 14.508 -6.801 1.031 1.00 0.00 H new ATOM 0 HB3 SER A 2 14.928 -6.954 2.725 1.00 0.00 H new ATOM 0 HG SER A 2 16.680 -6.114 1.460 1.00 0.00 H new ATOM 19 N SER A 3 14.320 -9.301 -0.651 1.00 0.00 N ATOM 20 CA SER A 3 14.566 -9.798 -2.000 1.00 0.00 C ATOM 21 C SER A 3 14.656 -8.646 -2.997 1.00 0.00 C ATOM 22 O SER A 3 15.654 -8.494 -3.699 1.00 0.00 O ATOM 23 CB SER A 3 13.459 -10.766 -2.420 1.00 0.00 C ATOM 24 OG SER A 3 13.546 -11.983 -1.698 1.00 0.00 O ATOM 0 H SER A 3 13.396 -8.890 -0.515 1.00 0.00 H new ATOM 0 HA SER A 3 15.519 -10.327 -1.997 1.00 0.00 H new ATOM 0 HB2 SER A 3 12.485 -10.307 -2.249 1.00 0.00 H new ATOM 0 HB3 SER A 3 13.533 -10.967 -3.489 1.00 0.00 H new ATOM 0 HG SER A 3 12.827 -12.585 -1.983 1.00 0.00 H new ATOM 30 N GLY A 4 13.603 -7.836 -3.051 1.00 0.00 N ATOM 31 CA GLY A 4 13.581 -6.708 -3.963 1.00 0.00 C ATOM 32 C GLY A 4 12.174 -6.328 -4.381 1.00 0.00 C ATOM 33 O GLY A 4 11.259 -6.310 -3.558 1.00 0.00 O ATOM 0 H GLY A 4 12.765 -7.941 -2.479 1.00 0.00 H new ATOM 0 HA2 GLY A 4 14.060 -5.851 -3.488 1.00 0.00 H new ATOM 0 HA3 GLY A 4 14.167 -6.950 -4.849 1.00 0.00 H new ATOM 37 N SER A 5 12.002 -6.020 -5.663 1.00 0.00 N ATOM 38 CA SER A 5 10.698 -5.632 -6.186 1.00 0.00 C ATOM 39 C SER A 5 10.320 -6.488 -7.392 1.00 0.00 C ATOM 40 O SER A 5 10.925 -6.380 -8.458 1.00 0.00 O ATOM 41 CB SER A 5 10.701 -4.154 -6.578 1.00 0.00 C ATOM 42 OG SER A 5 11.799 -3.851 -7.422 1.00 0.00 O ATOM 0 H SER A 5 12.749 -6.032 -6.358 1.00 0.00 H new ATOM 0 HA SER A 5 9.958 -5.791 -5.402 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.769 -3.908 -7.087 1.00 0.00 H new ATOM 0 HB3 SER A 5 10.747 -3.537 -5.681 1.00 0.00 H new ATOM 0 HG SER A 5 11.870 -4.531 -8.124 1.00 0.00 H new ATOM 48 N SER A 6 9.314 -7.339 -7.213 1.00 0.00 N ATOM 49 CA SER A 6 8.857 -8.218 -8.283 1.00 0.00 C ATOM 50 C SER A 6 7.553 -8.910 -7.898 1.00 0.00 C ATOM 51 O SER A 6 7.497 -9.652 -6.918 1.00 0.00 O ATOM 52 CB SER A 6 9.926 -9.262 -8.606 1.00 0.00 C ATOM 53 OG SER A 6 9.844 -9.675 -9.960 1.00 0.00 O ATOM 0 H SER A 6 8.800 -7.438 -6.337 1.00 0.00 H new ATOM 0 HA SER A 6 8.677 -7.608 -9.168 1.00 0.00 H new ATOM 0 HB2 SER A 6 10.915 -8.848 -8.408 1.00 0.00 H new ATOM 0 HB3 SER A 6 9.805 -10.125 -7.951 1.00 0.00 H new ATOM 0 HG SER A 6 10.539 -10.341 -10.141 1.00 0.00 H new ATOM 59 N GLY A 7 6.505 -8.661 -8.678 1.00 0.00 N ATOM 60 CA GLY A 7 5.215 -9.266 -8.403 1.00 0.00 C ATOM 61 C GLY A 7 4.150 -8.239 -8.076 1.00 0.00 C ATOM 62 O GLY A 7 3.207 -8.047 -8.844 1.00 0.00 O ATOM 0 H GLY A 7 6.527 -8.051 -9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 7 4.899 -9.849 -9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 7 5.314 -9.961 -7.569 1.00 0.00 H new ATOM 66 N MET A 8 4.298 -7.578 -6.933 1.00 0.00 N ATOM 67 CA MET A 8 3.340 -6.565 -6.506 1.00 0.00 C ATOM 68 C MET A 8 3.837 -5.837 -5.261 1.00 0.00 C ATOM 69 O MET A 8 4.865 -6.198 -4.690 1.00 0.00 O ATOM 70 CB MET A 8 1.979 -7.206 -6.226 1.00 0.00 C ATOM 71 CG MET A 8 2.015 -8.256 -5.129 1.00 0.00 C ATOM 72 SD MET A 8 0.648 -9.426 -5.242 1.00 0.00 S ATOM 73 CE MET A 8 1.143 -10.388 -6.669 1.00 0.00 C ATOM 0 H MET A 8 5.072 -7.726 -6.286 1.00 0.00 H new ATOM 0 HA MET A 8 3.233 -5.839 -7.312 1.00 0.00 H new ATOM 0 HB2 MET A 8 1.270 -6.426 -5.948 1.00 0.00 H new ATOM 0 HB3 MET A 8 1.607 -7.663 -7.143 1.00 0.00 H new ATOM 0 HG2 MET A 8 2.958 -8.799 -5.182 1.00 0.00 H new ATOM 0 HG3 MET A 8 1.986 -7.762 -4.158 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.620 -11.344 -6.663 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.893 -9.843 -7.579 1.00 0.00 H new ATOM 0 HE3 MET A 8 2.218 -10.563 -6.635 1.00 0.00 H new ATOM 83 N GLU A 9 3.100 -4.810 -4.848 1.00 0.00 N ATOM 84 CA GLU A 9 3.468 -4.030 -3.672 1.00 0.00 C ATOM 85 C GLU A 9 2.741 -4.542 -2.431 1.00 0.00 C ATOM 86 O GLU A 9 1.776 -5.299 -2.534 1.00 0.00 O ATOM 87 CB GLU A 9 3.147 -2.551 -3.892 1.00 0.00 C ATOM 88 CG GLU A 9 3.870 -1.941 -5.080 1.00 0.00 C ATOM 89 CD GLU A 9 5.352 -1.745 -4.823 1.00 0.00 C ATOM 90 OE1 GLU A 9 6.035 -2.736 -4.494 1.00 0.00 O ATOM 91 OE2 GLU A 9 5.828 -0.597 -4.951 1.00 0.00 O ATOM 0 H GLU A 9 2.245 -4.499 -5.310 1.00 0.00 H new ATOM 0 HA GLU A 9 4.541 -4.141 -3.515 1.00 0.00 H new ATOM 0 HB2 GLU A 9 2.072 -2.439 -4.035 1.00 0.00 H new ATOM 0 HB3 GLU A 9 3.409 -1.993 -2.993 1.00 0.00 H new ATOM 0 HG2 GLU A 9 3.738 -2.584 -5.950 1.00 0.00 H new ATOM 0 HG3 GLU A 9 3.417 -0.980 -5.322 1.00 0.00 H new ATOM 98 N GLU A 10 3.212 -4.122 -1.261 1.00 0.00 N ATOM 99 CA GLU A 10 2.608 -4.539 -0.001 1.00 0.00 C ATOM 100 C GLU A 10 2.615 -3.396 1.010 1.00 0.00 C ATOM 101 O GLU A 10 3.674 -2.882 1.373 1.00 0.00 O ATOM 102 CB GLU A 10 3.351 -5.747 0.572 1.00 0.00 C ATOM 103 CG GLU A 10 4.862 -5.583 0.582 1.00 0.00 C ATOM 104 CD GLU A 10 5.546 -6.535 1.544 1.00 0.00 C ATOM 105 OE1 GLU A 10 5.626 -6.207 2.747 1.00 0.00 O ATOM 106 OE2 GLU A 10 6.000 -7.607 1.094 1.00 0.00 O ATOM 0 H GLU A 10 4.009 -3.494 -1.160 1.00 0.00 H new ATOM 0 HA GLU A 10 1.573 -4.819 -0.199 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.006 -5.925 1.591 1.00 0.00 H new ATOM 0 HB3 GLU A 10 3.094 -6.631 -0.011 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.248 -5.749 -0.424 1.00 0.00 H new ATOM 0 HG3 GLU A 10 5.111 -4.557 0.854 1.00 0.00 H new ATOM 113 N TRP A 11 1.429 -3.004 1.459 1.00 0.00 N ATOM 114 CA TRP A 11 1.299 -1.922 2.429 1.00 0.00 C ATOM 115 C TRP A 11 0.542 -2.388 3.668 1.00 0.00 C ATOM 116 O TRP A 11 -0.560 -2.928 3.566 1.00 0.00 O ATOM 117 CB TRP A 11 0.581 -0.728 1.797 1.00 0.00 C ATOM 118 CG TRP A 11 1.446 0.054 0.855 1.00 0.00 C ATOM 119 CD1 TRP A 11 1.905 -0.351 -0.366 1.00 0.00 C ATOM 120 CD2 TRP A 11 1.956 1.377 1.059 1.00 0.00 C ATOM 121 NE1 TRP A 11 2.669 0.639 -0.934 1.00 0.00 N ATOM 122 CE2 TRP A 11 2.716 1.709 -0.080 1.00 0.00 C ATOM 123 CE3 TRP A 11 1.844 2.313 2.090 1.00 0.00 C ATOM 124 CZ2 TRP A 11 3.360 2.937 -0.213 1.00 0.00 C ATOM 125 CZ3 TRP A 11 2.483 3.530 1.957 1.00 0.00 C ATOM 126 CH2 TRP A 11 3.233 3.834 0.813 1.00 0.00 C ATOM 0 H TRP A 11 0.544 -3.418 1.168 1.00 0.00 H new ATOM 0 HA TRP A 11 2.301 -1.617 2.732 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -0.298 -1.084 1.261 1.00 0.00 H new ATOM 0 HB3 TRP A 11 0.226 -0.067 2.587 1.00 0.00 H new ATOM 0 HD1 TRP A 11 1.698 -1.309 -0.819 1.00 0.00 H new ATOM 0 HE1 TRP A 11 3.127 0.586 -1.844 1.00 0.00 H new ATOM 0 HE3 TRP A 11 1.268 2.089 2.976 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 3.939 3.173 -1.094 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 2.403 4.260 2.749 1.00 0.00 H new ATOM 0 HH2 TRP A 11 3.720 4.795 0.739 1.00 0.00 H new ATOM 137 N SER A 12 1.141 -2.176 4.835 1.00 0.00 N ATOM 138 CA SER A 12 0.523 -2.579 6.094 1.00 0.00 C ATOM 139 C SER A 12 -0.457 -1.517 6.582 1.00 0.00 C ATOM 140 O SER A 12 -0.268 -0.325 6.344 1.00 0.00 O ATOM 141 CB SER A 12 1.597 -2.825 7.157 1.00 0.00 C ATOM 142 OG SER A 12 1.151 -3.760 8.124 1.00 0.00 O ATOM 0 H SER A 12 2.052 -1.728 4.936 1.00 0.00 H new ATOM 0 HA SER A 12 -0.027 -3.504 5.921 1.00 0.00 H new ATOM 0 HB2 SER A 12 2.506 -3.194 6.682 1.00 0.00 H new ATOM 0 HB3 SER A 12 1.852 -1.885 7.646 1.00 0.00 H new ATOM 0 HG SER A 12 1.855 -3.902 8.791 1.00 0.00 H new ATOM 148 N ALA A 13 -1.506 -1.960 7.268 1.00 0.00 N ATOM 149 CA ALA A 13 -2.517 -1.049 7.792 1.00 0.00 C ATOM 150 C ALA A 13 -1.874 0.097 8.564 1.00 0.00 C ATOM 151 O ALA A 13 -2.137 1.269 8.289 1.00 0.00 O ATOM 152 CB ALA A 13 -3.496 -1.802 8.679 1.00 0.00 C ATOM 0 H ALA A 13 -1.678 -2.944 7.474 1.00 0.00 H new ATOM 0 HA ALA A 13 -3.061 -0.624 6.949 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -4.245 -1.110 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -3.987 -2.583 8.098 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -2.958 -2.254 9.512 1.00 0.00 H new ATOM 158 N SER A 14 -1.031 -0.246 9.532 1.00 0.00 N ATOM 159 CA SER A 14 -0.353 0.755 10.348 1.00 0.00 C ATOM 160 C SER A 14 0.378 1.766 9.470 1.00 0.00 C ATOM 161 O SER A 14 0.269 2.975 9.675 1.00 0.00 O ATOM 162 CB SER A 14 0.635 0.082 11.303 1.00 0.00 C ATOM 163 OG SER A 14 1.725 -0.481 10.595 1.00 0.00 O ATOM 0 H SER A 14 -0.801 -1.210 9.771 1.00 0.00 H new ATOM 0 HA SER A 14 -1.107 1.284 10.931 1.00 0.00 H new ATOM 0 HB2 SER A 14 1.004 0.812 12.024 1.00 0.00 H new ATOM 0 HB3 SER A 14 0.125 -0.696 11.870 1.00 0.00 H new ATOM 0 HG SER A 14 2.343 -0.903 11.228 1.00 0.00 H new ATOM 169 N GLU A 15 1.125 1.261 8.493 1.00 0.00 N ATOM 170 CA GLU A 15 1.875 2.120 7.585 1.00 0.00 C ATOM 171 C GLU A 15 0.943 3.075 6.844 1.00 0.00 C ATOM 172 O GLU A 15 1.236 4.262 6.706 1.00 0.00 O ATOM 173 CB GLU A 15 2.660 1.274 6.579 1.00 0.00 C ATOM 174 CG GLU A 15 3.721 0.395 7.221 1.00 0.00 C ATOM 175 CD GLU A 15 4.506 1.120 8.298 1.00 0.00 C ATOM 176 OE1 GLU A 15 4.739 2.336 8.146 1.00 0.00 O ATOM 177 OE2 GLU A 15 4.886 0.469 9.294 1.00 0.00 O ATOM 0 H GLU A 15 1.227 0.263 8.310 1.00 0.00 H new ATOM 0 HA GLU A 15 2.574 2.709 8.178 1.00 0.00 H new ATOM 0 HB2 GLU A 15 1.964 0.644 6.025 1.00 0.00 H new ATOM 0 HB3 GLU A 15 3.137 1.935 5.855 1.00 0.00 H new ATOM 0 HG2 GLU A 15 3.245 -0.485 7.654 1.00 0.00 H new ATOM 0 HG3 GLU A 15 4.408 0.041 6.452 1.00 0.00 H new ATOM 184 N ALA A 16 -0.180 2.546 6.368 1.00 0.00 N ATOM 185 CA ALA A 16 -1.155 3.351 5.643 1.00 0.00 C ATOM 186 C ALA A 16 -1.399 4.682 6.346 1.00 0.00 C ATOM 187 O ALA A 16 -1.243 5.748 5.748 1.00 0.00 O ATOM 188 CB ALA A 16 -2.461 2.585 5.491 1.00 0.00 C ATOM 0 H ALA A 16 -0.437 1.564 6.472 1.00 0.00 H new ATOM 0 HA ALA A 16 -0.752 3.562 4.652 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -3.181 3.197 4.948 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.280 1.663 4.939 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.859 2.346 6.477 1.00 0.00 H new ATOM 194 N CYS A 17 -1.784 4.615 7.615 1.00 0.00 N ATOM 195 CA CYS A 17 -2.051 5.815 8.398 1.00 0.00 C ATOM 196 C CYS A 17 -0.896 6.806 8.288 1.00 0.00 C ATOM 197 O CYS A 17 -1.099 7.984 7.993 1.00 0.00 O ATOM 198 CB CYS A 17 -2.289 5.451 9.865 1.00 0.00 C ATOM 199 SG CYS A 17 -3.988 4.958 10.237 1.00 0.00 S ATOM 0 H CYS A 17 -1.918 3.741 8.124 1.00 0.00 H new ATOM 0 HA CYS A 17 -2.949 6.286 7.998 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -1.618 4.638 10.140 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -2.026 6.306 10.488 1.00 0.00 H new ATOM 0 HG CYS A 17 -4.089 4.668 11.500 1.00 0.00 H new ATOM 205 N LEU A 18 0.317 6.319 8.529 1.00 0.00 N ATOM 206 CA LEU A 18 1.506 7.162 8.458 1.00 0.00 C ATOM 207 C LEU A 18 1.520 7.977 7.170 1.00 0.00 C ATOM 208 O LEU A 18 1.865 9.159 7.175 1.00 0.00 O ATOM 209 CB LEU A 18 2.769 6.303 8.545 1.00 0.00 C ATOM 210 CG LEU A 18 3.316 6.054 9.951 1.00 0.00 C ATOM 211 CD1 LEU A 18 4.304 4.897 9.942 1.00 0.00 C ATOM 212 CD2 LEU A 18 3.971 7.313 10.499 1.00 0.00 C ATOM 0 H LEU A 18 0.503 5.347 8.775 1.00 0.00 H new ATOM 0 HA LEU A 18 1.483 7.852 9.302 1.00 0.00 H new ATOM 0 HB2 LEU A 18 2.561 5.339 8.082 1.00 0.00 H new ATOM 0 HB3 LEU A 18 3.550 6.779 7.952 1.00 0.00 H new ATOM 0 HG LEU A 18 2.483 5.789 10.603 1.00 0.00 H new ATOM 0 HD11 LEU A 18 4.683 4.734 10.951 1.00 0.00 H new ATOM 0 HD12 LEU A 18 3.804 3.994 9.592 1.00 0.00 H new ATOM 0 HD13 LEU A 18 5.134 5.133 9.276 1.00 0.00 H new ATOM 0 HD21 LEU A 18 4.355 7.117 11.500 1.00 0.00 H new ATOM 0 HD22 LEU A 18 4.793 7.609 9.847 1.00 0.00 H new ATOM 0 HD23 LEU A 18 3.235 8.116 10.543 1.00 0.00 H new ATOM 224 N PHE A 19 1.140 7.340 6.067 1.00 0.00 N ATOM 225 CA PHE A 19 1.108 8.007 4.771 1.00 0.00 C ATOM 226 C PHE A 19 0.188 9.225 4.810 1.00 0.00 C ATOM 227 O PHE A 19 0.634 10.356 4.628 1.00 0.00 O ATOM 228 CB PHE A 19 0.640 7.035 3.685 1.00 0.00 C ATOM 229 CG PHE A 19 0.515 7.667 2.329 1.00 0.00 C ATOM 230 CD1 PHE A 19 1.604 8.284 1.733 1.00 0.00 C ATOM 231 CD2 PHE A 19 -0.692 7.646 1.649 1.00 0.00 C ATOM 232 CE1 PHE A 19 1.492 8.867 0.485 1.00 0.00 C ATOM 233 CE2 PHE A 19 -0.811 8.227 0.400 1.00 0.00 C ATOM 234 CZ PHE A 19 0.283 8.839 -0.182 1.00 0.00 C ATOM 0 H PHE A 19 0.850 6.362 6.045 1.00 0.00 H new ATOM 0 HA PHE A 19 2.118 8.343 4.537 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.342 6.203 3.626 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -0.325 6.618 3.973 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.552 8.309 2.250 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -1.550 7.170 2.100 1.00 0.00 H new ATOM 0 HE1 PHE A 19 2.349 9.344 0.032 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -1.757 8.203 -0.120 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.193 9.295 -1.157 1.00 0.00 H new ATOM 244 N GLU A 20 -1.097 8.980 5.046 1.00 0.00 N ATOM 245 CA GLU A 20 -2.080 10.057 5.106 1.00 0.00 C ATOM 246 C GLU A 20 -1.497 11.287 5.795 1.00 0.00 C ATOM 247 O GLU A 20 -1.426 12.365 5.206 1.00 0.00 O ATOM 248 CB GLU A 20 -3.335 9.591 5.845 1.00 0.00 C ATOM 249 CG GLU A 20 -4.350 8.903 4.948 1.00 0.00 C ATOM 250 CD GLU A 20 -3.757 7.735 4.184 1.00 0.00 C ATOM 251 OE1 GLU A 20 -3.375 6.736 4.830 1.00 0.00 O ATOM 252 OE2 GLU A 20 -3.674 7.820 2.941 1.00 0.00 O ATOM 0 H GLU A 20 -1.482 8.048 5.199 1.00 0.00 H new ATOM 0 HA GLU A 20 -2.349 10.327 4.085 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.044 8.906 6.642 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.807 10.451 6.320 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -5.184 8.550 5.554 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -4.754 9.627 4.241 1.00 0.00 H new ATOM 259 N GLU A 21 -1.083 11.117 7.047 1.00 0.00 N ATOM 260 CA GLU A 21 -0.508 12.214 7.817 1.00 0.00 C ATOM 261 C GLU A 21 0.773 12.724 7.163 1.00 0.00 C ATOM 262 O GLU A 21 1.094 13.910 7.243 1.00 0.00 O ATOM 263 CB GLU A 21 -0.218 11.763 9.250 1.00 0.00 C ATOM 264 CG GLU A 21 0.841 10.677 9.343 1.00 0.00 C ATOM 265 CD GLU A 21 1.194 10.329 10.777 1.00 0.00 C ATOM 266 OE1 GLU A 21 1.336 11.261 11.596 1.00 0.00 O ATOM 267 OE2 GLU A 21 1.327 9.125 11.079 1.00 0.00 O ATOM 0 H GLU A 21 -1.135 10.231 7.549 1.00 0.00 H new ATOM 0 HA GLU A 21 -1.233 13.028 7.840 1.00 0.00 H new ATOM 0 HB2 GLU A 21 0.104 12.624 9.835 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -1.141 11.399 9.701 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.484 9.782 8.833 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.740 11.005 8.821 1.00 0.00 H new ATOM 274 N ALA A 22 1.502 11.820 6.517 1.00 0.00 N ATOM 275 CA ALA A 22 2.747 12.178 5.848 1.00 0.00 C ATOM 276 C ALA A 22 2.512 13.247 4.787 1.00 0.00 C ATOM 277 O ALA A 22 3.419 14.008 4.445 1.00 0.00 O ATOM 278 CB ALA A 22 3.386 10.946 5.227 1.00 0.00 C ATOM 0 H ALA A 22 1.252 10.834 6.443 1.00 0.00 H new ATOM 0 HA ALA A 22 3.427 12.588 6.595 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.315 11.229 4.731 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.599 10.215 6.007 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.703 10.510 4.498 1.00 0.00 H new ATOM 284 N LEU A 23 1.290 13.299 4.267 1.00 0.00 N ATOM 285 CA LEU A 23 0.937 14.275 3.242 1.00 0.00 C ATOM 286 C LEU A 23 0.533 15.604 3.873 1.00 0.00 C ATOM 287 O LEU A 23 0.994 16.665 3.453 1.00 0.00 O ATOM 288 CB LEU A 23 -0.205 13.741 2.374 1.00 0.00 C ATOM 289 CG LEU A 23 -0.227 14.224 0.924 1.00 0.00 C ATOM 290 CD1 LEU A 23 1.109 13.949 0.250 1.00 0.00 C ATOM 291 CD2 LEU A 23 -1.359 13.556 0.157 1.00 0.00 C ATOM 0 H LEU A 23 0.528 12.677 4.538 1.00 0.00 H new ATOM 0 HA LEU A 23 1.813 14.442 2.616 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.155 12.652 2.373 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.150 14.016 2.842 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.398 15.300 0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.075 14.299 -0.782 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.901 14.473 0.785 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.309 12.878 0.263 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -1.360 13.912 -0.873 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.218 12.475 0.168 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -2.311 13.802 0.626 1.00 0.00 H new ATOM 303 N GLU A 24 -0.328 15.537 4.882 1.00 0.00 N ATOM 304 CA GLU A 24 -0.791 16.736 5.571 1.00 0.00 C ATOM 305 C GLU A 24 0.374 17.472 6.227 1.00 0.00 C ATOM 306 O GLU A 24 0.403 18.702 6.268 1.00 0.00 O ATOM 307 CB GLU A 24 -1.839 16.373 6.626 1.00 0.00 C ATOM 308 CG GLU A 24 -1.239 15.923 7.948 1.00 0.00 C ATOM 309 CD GLU A 24 -2.278 15.794 9.046 1.00 0.00 C ATOM 310 OE1 GLU A 24 -3.194 16.641 9.098 1.00 0.00 O ATOM 311 OE2 GLU A 24 -2.174 14.846 9.852 1.00 0.00 O ATOM 0 H GLU A 24 -0.719 14.666 5.241 1.00 0.00 H new ATOM 0 HA GLU A 24 -1.244 17.396 4.831 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -2.480 17.237 6.802 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -2.475 15.579 6.236 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.741 14.963 7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -0.475 16.636 8.258 1.00 0.00 H new ATOM 318 N LYS A 25 1.333 16.709 6.740 1.00 0.00 N ATOM 319 CA LYS A 25 2.501 17.285 7.395 1.00 0.00 C ATOM 320 C LYS A 25 3.534 17.734 6.366 1.00 0.00 C ATOM 321 O LYS A 25 3.838 18.922 6.253 1.00 0.00 O ATOM 322 CB LYS A 25 3.128 16.270 8.353 1.00 0.00 C ATOM 323 CG LYS A 25 3.961 16.905 9.453 1.00 0.00 C ATOM 324 CD LYS A 25 5.084 15.986 9.904 1.00 0.00 C ATOM 325 CE LYS A 25 6.126 16.738 10.717 1.00 0.00 C ATOM 326 NZ LYS A 25 5.564 17.263 11.992 1.00 0.00 N ATOM 0 H LYS A 25 1.324 15.689 6.715 1.00 0.00 H new ATOM 0 HA LYS A 25 2.175 18.157 7.963 1.00 0.00 H new ATOM 0 HB2 LYS A 25 2.336 15.674 8.807 1.00 0.00 H new ATOM 0 HB3 LYS A 25 3.756 15.585 7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 25 4.381 17.845 9.096 1.00 0.00 H new ATOM 0 HG3 LYS A 25 3.322 17.144 10.303 1.00 0.00 H new ATOM 0 HD2 LYS A 25 4.672 15.173 10.501 1.00 0.00 H new ATOM 0 HD3 LYS A 25 5.558 15.534 9.033 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.963 16.075 10.935 1.00 0.00 H new ATOM 0 HE3 LYS A 25 6.520 17.565 10.126 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 6.306 17.769 12.516 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 4.781 17.915 11.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 5.211 16.472 12.568 1.00 0.00 H new ATOM 340 N TYR A 26 4.072 16.777 5.617 1.00 0.00 N ATOM 341 CA TYR A 26 5.071 17.074 4.599 1.00 0.00 C ATOM 342 C TYR A 26 4.409 17.483 3.287 1.00 0.00 C ATOM 343 O TYR A 26 4.543 18.621 2.839 1.00 0.00 O ATOM 344 CB TYR A 26 5.973 15.860 4.370 1.00 0.00 C ATOM 345 CG TYR A 26 7.169 15.810 5.294 1.00 0.00 C ATOM 346 CD1 TYR A 26 7.942 16.940 5.522 1.00 0.00 C ATOM 347 CD2 TYR A 26 7.523 14.632 5.940 1.00 0.00 C ATOM 348 CE1 TYR A 26 9.036 16.899 6.365 1.00 0.00 C ATOM 349 CE2 TYR A 26 8.614 14.581 6.786 1.00 0.00 C ATOM 350 CZ TYR A 26 9.367 15.717 6.995 1.00 0.00 C ATOM 351 OH TYR A 26 10.455 15.673 7.837 1.00 0.00 O ATOM 0 H TYR A 26 3.832 15.789 5.697 1.00 0.00 H new ATOM 0 HA TYR A 26 5.677 17.908 4.954 1.00 0.00 H new ATOM 0 HB2 TYR A 26 5.385 14.952 4.501 1.00 0.00 H new ATOM 0 HB3 TYR A 26 6.322 15.867 3.338 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.684 17.867 5.032 1.00 0.00 H new ATOM 0 HD2 TYR A 26 6.935 13.741 5.778 1.00 0.00 H new ATOM 0 HE1 TYR A 26 9.628 17.787 6.530 1.00 0.00 H new ATOM 0 HE2 TYR A 26 8.875 13.657 7.281 1.00 0.00 H new ATOM 0 HH TYR A 26 10.551 14.768 8.201 1.00 0.00 H new ATOM 361 N GLY A 27 3.689 16.546 2.677 1.00 0.00 N ATOM 362 CA GLY A 27 3.014 16.827 1.423 1.00 0.00 C ATOM 363 C GLY A 27 3.666 16.131 0.246 1.00 0.00 C ATOM 364 O GLY A 27 4.415 15.169 0.419 1.00 0.00 O ATOM 0 H GLY A 27 3.561 15.597 3.029 1.00 0.00 H new ATOM 0 HA2 GLY A 27 1.973 16.513 1.496 1.00 0.00 H new ATOM 0 HA3 GLY A 27 3.011 17.903 1.249 1.00 0.00 H new ATOM 368 N LYS A 28 3.379 16.616 -0.958 1.00 0.00 N ATOM 369 CA LYS A 28 3.942 16.034 -2.171 1.00 0.00 C ATOM 370 C LYS A 28 5.384 15.590 -1.944 1.00 0.00 C ATOM 371 O LYS A 28 5.867 14.660 -2.591 1.00 0.00 O ATOM 372 CB LYS A 28 3.883 17.043 -3.320 1.00 0.00 C ATOM 373 CG LYS A 28 3.673 16.402 -4.681 1.00 0.00 C ATOM 374 CD LYS A 28 4.361 17.194 -5.782 1.00 0.00 C ATOM 375 CE LYS A 28 4.621 16.332 -7.008 1.00 0.00 C ATOM 376 NZ LYS A 28 3.483 16.378 -7.969 1.00 0.00 N ATOM 0 H LYS A 28 2.760 17.410 -1.119 1.00 0.00 H new ATOM 0 HA LYS A 28 3.348 15.158 -2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 28 3.074 17.749 -3.131 1.00 0.00 H new ATOM 0 HB3 LYS A 28 4.810 17.617 -3.337 1.00 0.00 H new ATOM 0 HG2 LYS A 28 4.060 15.383 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 28 2.606 16.335 -4.892 1.00 0.00 H new ATOM 0 HD2 LYS A 28 3.742 18.047 -6.060 1.00 0.00 H new ATOM 0 HD3 LYS A 28 5.304 17.593 -5.410 1.00 0.00 H new ATOM 0 HE2 LYS A 28 5.530 16.671 -7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 28 4.793 15.301 -6.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 3.698 15.778 -8.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.621 16.030 -7.503 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 3.335 17.358 -8.285 1.00 0.00 H new ATOM 390 N ASP A 29 6.066 16.259 -1.022 1.00 0.00 N ATOM 391 CA ASP A 29 7.451 15.933 -0.707 1.00 0.00 C ATOM 392 C ASP A 29 7.581 14.474 -0.279 1.00 0.00 C ATOM 393 O ASP A 29 7.407 14.143 0.894 1.00 0.00 O ATOM 394 CB ASP A 29 7.977 16.850 0.398 1.00 0.00 C ATOM 395 CG ASP A 29 9.472 17.081 0.298 1.00 0.00 C ATOM 396 OD1 ASP A 29 10.173 16.197 -0.236 1.00 0.00 O ATOM 397 OD2 ASP A 29 9.940 18.145 0.753 1.00 0.00 O ATOM 0 H ASP A 29 5.681 17.032 -0.479 1.00 0.00 H new ATOM 0 HA ASP A 29 8.047 16.085 -1.607 1.00 0.00 H new ATOM 0 HB2 ASP A 29 7.460 17.808 0.347 1.00 0.00 H new ATOM 0 HB3 ASP A 29 7.744 16.414 1.369 1.00 0.00 H new ATOM 402 N PHE A 30 7.887 13.606 -1.237 1.00 0.00 N ATOM 403 CA PHE A 30 8.039 12.183 -0.960 1.00 0.00 C ATOM 404 C PHE A 30 9.356 11.906 -0.241 1.00 0.00 C ATOM 405 O PHE A 30 9.430 11.039 0.629 1.00 0.00 O ATOM 406 CB PHE A 30 7.976 11.379 -2.261 1.00 0.00 C ATOM 407 CG PHE A 30 6.942 11.881 -3.227 1.00 0.00 C ATOM 408 CD1 PHE A 30 5.626 12.048 -2.828 1.00 0.00 C ATOM 409 CD2 PHE A 30 7.286 12.186 -4.534 1.00 0.00 C ATOM 410 CE1 PHE A 30 4.672 12.509 -3.715 1.00 0.00 C ATOM 411 CE2 PHE A 30 6.336 12.649 -5.426 1.00 0.00 C ATOM 412 CZ PHE A 30 5.027 12.811 -5.016 1.00 0.00 C ATOM 0 H PHE A 30 8.035 13.863 -2.213 1.00 0.00 H new ATOM 0 HA PHE A 30 7.219 11.875 -0.311 1.00 0.00 H new ATOM 0 HB2 PHE A 30 8.954 11.405 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 30 7.764 10.336 -2.024 1.00 0.00 H new ATOM 0 HD1 PHE A 30 5.342 11.815 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 30 8.308 12.061 -4.860 1.00 0.00 H new ATOM 0 HE1 PHE A 30 3.649 12.633 -3.392 1.00 0.00 H new ATOM 0 HE2 PHE A 30 6.617 12.884 -6.442 1.00 0.00 H new ATOM 0 HZ PHE A 30 4.283 13.173 -5.710 1.00 0.00 H new ATOM 422 N ASN A 31 10.393 12.649 -0.612 1.00 0.00 N ATOM 423 CA ASN A 31 11.709 12.484 -0.003 1.00 0.00 C ATOM 424 C ASN A 31 11.636 12.671 1.510 1.00 0.00 C ATOM 425 O ASN A 31 11.931 11.753 2.274 1.00 0.00 O ATOM 426 CB ASN A 31 12.701 13.481 -0.604 1.00 0.00 C ATOM 427 CG ASN A 31 12.874 13.294 -2.099 1.00 0.00 C ATOM 428 OD1 ASN A 31 13.647 12.446 -2.545 1.00 0.00 O ATOM 429 ND2 ASN A 31 12.153 14.088 -2.882 1.00 0.00 N ATOM 0 H ASN A 31 10.348 13.371 -1.331 1.00 0.00 H new ATOM 0 HA ASN A 31 12.053 11.470 -0.210 1.00 0.00 H new ATOM 0 HB2 ASN A 31 12.358 14.496 -0.405 1.00 0.00 H new ATOM 0 HB3 ASN A 31 13.667 13.369 -0.112 1.00 0.00 H new ATOM 0 HD21 ASN A 31 12.228 14.009 -3.896 1.00 0.00 H new ATOM 0 HD22 ASN A 31 11.525 14.777 -2.469 1.00 0.00 H new ATOM 436 N ASP A 32 11.239 13.866 1.933 1.00 0.00 N ATOM 437 CA ASP A 32 11.125 14.174 3.354 1.00 0.00 C ATOM 438 C ASP A 32 10.487 13.014 4.112 1.00 0.00 C ATOM 439 O ASP A 32 10.994 12.583 5.148 1.00 0.00 O ATOM 440 CB ASP A 32 10.303 15.448 3.557 1.00 0.00 C ATOM 441 CG ASP A 32 10.985 16.674 2.986 1.00 0.00 C ATOM 442 OD1 ASP A 32 11.531 16.584 1.867 1.00 0.00 O ATOM 443 OD2 ASP A 32 10.972 17.727 3.659 1.00 0.00 O ATOM 0 H ASP A 32 10.991 14.637 1.313 1.00 0.00 H new ATOM 0 HA ASP A 32 12.129 14.333 3.748 1.00 0.00 H new ATOM 0 HB2 ASP A 32 9.327 15.326 3.086 1.00 0.00 H new ATOM 0 HB3 ASP A 32 10.127 15.597 4.622 1.00 0.00 H new ATOM 448 N ILE A 33 9.372 12.516 3.589 1.00 0.00 N ATOM 449 CA ILE A 33 8.664 11.406 4.217 1.00 0.00 C ATOM 450 C ILE A 33 9.518 10.142 4.222 1.00 0.00 C ATOM 451 O ILE A 33 10.015 9.720 5.266 1.00 0.00 O ATOM 452 CB ILE A 33 7.333 11.111 3.502 1.00 0.00 C ATOM 453 CG1 ILE A 33 6.412 12.331 3.567 1.00 0.00 C ATOM 454 CG2 ILE A 33 6.657 9.897 4.121 1.00 0.00 C ATOM 455 CD1 ILE A 33 5.478 12.447 2.383 1.00 0.00 C ATOM 0 H ILE A 33 8.939 12.863 2.733 1.00 0.00 H new ATOM 0 HA ILE A 33 8.456 11.705 5.244 1.00 0.00 H new ATOM 0 HB ILE A 33 7.541 10.892 2.455 1.00 0.00 H new ATOM 0 HG12 ILE A 33 5.821 12.282 4.482 1.00 0.00 H new ATOM 0 HG13 ILE A 33 7.021 13.233 3.629 1.00 0.00 H new ATOM 0 HG21 ILE A 33 5.717 9.701 3.605 1.00 0.00 H new ATOM 0 HG22 ILE A 33 7.310 9.029 4.027 1.00 0.00 H new ATOM 0 HG23 ILE A 33 6.458 10.089 5.175 1.00 0.00 H new ATOM 0 HD11 ILE A 33 4.855 13.334 2.496 1.00 0.00 H new ATOM 0 HD12 ILE A 33 6.061 12.528 1.466 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.843 11.562 2.332 1.00 0.00 H new ATOM 467 N ARG A 34 9.684 9.543 3.047 1.00 0.00 N ATOM 468 CA ARG A 34 10.479 8.328 2.915 1.00 0.00 C ATOM 469 C ARG A 34 11.762 8.424 3.735 1.00 0.00 C ATOM 470 O ARG A 34 12.337 7.410 4.127 1.00 0.00 O ATOM 471 CB ARG A 34 10.818 8.072 1.445 1.00 0.00 C ATOM 472 CG ARG A 34 11.794 6.926 1.236 1.00 0.00 C ATOM 473 CD ARG A 34 12.446 6.993 -0.136 1.00 0.00 C ATOM 474 NE ARG A 34 13.593 6.094 -0.242 1.00 0.00 N ATOM 475 CZ ARG A 34 14.589 6.274 -1.102 1.00 0.00 C ATOM 476 NH1 ARG A 34 14.580 7.313 -1.925 1.00 0.00 N ATOM 477 NH2 ARG A 34 15.599 5.412 -1.137 1.00 0.00 N ATOM 0 H ARG A 34 9.279 9.879 2.173 1.00 0.00 H new ATOM 0 HA ARG A 34 9.888 7.495 3.295 1.00 0.00 H new ATOM 0 HB2 ARG A 34 9.898 7.859 0.901 1.00 0.00 H new ATOM 0 HB3 ARG A 34 11.240 8.980 1.015 1.00 0.00 H new ATOM 0 HG2 ARG A 34 12.563 6.957 2.008 1.00 0.00 H new ATOM 0 HG3 ARG A 34 11.270 5.976 1.345 1.00 0.00 H new ATOM 0 HD2 ARG A 34 11.712 6.735 -0.899 1.00 0.00 H new ATOM 0 HD3 ARG A 34 12.767 8.015 -0.335 1.00 0.00 H new ATOM 0 HE ARG A 34 13.631 5.285 0.378 1.00 0.00 H new ATOM 0 HH11 ARG A 34 13.807 7.977 -1.899 1.00 0.00 H new ATOM 0 HH12 ARG A 34 15.347 7.448 -2.584 1.00 0.00 H new ATOM 0 HH21 ARG A 34 15.609 4.612 -0.504 1.00 0.00 H new ATOM 0 HH22 ARG A 34 16.364 5.550 -1.797 1.00 0.00 H new ATOM 491 N GLN A 35 12.204 9.652 3.989 1.00 0.00 N ATOM 492 CA GLN A 35 13.420 9.881 4.760 1.00 0.00 C ATOM 493 C GLN A 35 13.259 9.377 6.192 1.00 0.00 C ATOM 494 O GLN A 35 13.949 8.449 6.614 1.00 0.00 O ATOM 495 CB GLN A 35 13.772 11.369 4.769 1.00 0.00 C ATOM 496 CG GLN A 35 15.222 11.649 5.127 1.00 0.00 C ATOM 497 CD GLN A 35 15.588 13.113 4.977 1.00 0.00 C ATOM 498 OE1 GLN A 35 16.468 13.468 4.193 1.00 0.00 O ATOM 499 NE2 GLN A 35 14.912 13.972 5.732 1.00 0.00 N ATOM 0 H GLN A 35 11.738 10.503 3.672 1.00 0.00 H new ATOM 0 HA GLN A 35 14.230 9.326 4.286 1.00 0.00 H new ATOM 0 HB2 GLN A 35 13.562 11.790 3.786 1.00 0.00 H new ATOM 0 HB3 GLN A 35 13.125 11.883 5.480 1.00 0.00 H new ATOM 0 HG2 GLN A 35 15.405 11.336 6.155 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.872 11.049 4.490 1.00 0.00 H new ATOM 0 HE21 GLN A 35 14.190 13.633 6.368 1.00 0.00 H new ATOM 0 HE22 GLN A 35 15.115 14.970 5.675 1.00 0.00 H new ATOM 508 N ASP A 36 12.345 9.994 6.931 1.00 0.00 N ATOM 509 CA ASP A 36 12.093 9.607 8.315 1.00 0.00 C ATOM 510 C ASP A 36 10.813 8.784 8.424 1.00 0.00 C ATOM 511 O ASP A 36 10.842 7.626 8.844 1.00 0.00 O ATOM 512 CB ASP A 36 11.993 10.848 9.203 1.00 0.00 C ATOM 513 CG ASP A 36 13.343 11.297 9.725 1.00 0.00 C ATOM 514 OD1 ASP A 36 14.176 10.423 10.048 1.00 0.00 O ATOM 515 OD2 ASP A 36 13.569 12.522 9.810 1.00 0.00 O ATOM 0 H ASP A 36 11.766 10.764 6.596 1.00 0.00 H new ATOM 0 HA ASP A 36 12.928 8.994 8.653 1.00 0.00 H new ATOM 0 HB2 ASP A 36 11.537 11.660 8.637 1.00 0.00 H new ATOM 0 HB3 ASP A 36 11.333 10.637 10.045 1.00 0.00 H new ATOM 520 N PHE A 37 9.692 9.389 8.047 1.00 0.00 N ATOM 521 CA PHE A 37 8.402 8.712 8.106 1.00 0.00 C ATOM 522 C PHE A 37 8.557 7.220 7.826 1.00 0.00 C ATOM 523 O PHE A 37 8.351 6.387 8.710 1.00 0.00 O ATOM 524 CB PHE A 37 7.431 9.332 7.098 1.00 0.00 C ATOM 525 CG PHE A 37 6.715 10.544 7.623 1.00 0.00 C ATOM 526 CD1 PHE A 37 7.409 11.713 7.889 1.00 0.00 C ATOM 527 CD2 PHE A 37 5.349 10.513 7.851 1.00 0.00 C ATOM 528 CE1 PHE A 37 6.754 12.830 8.372 1.00 0.00 C ATOM 529 CE2 PHE A 37 4.687 11.627 8.333 1.00 0.00 C ATOM 530 CZ PHE A 37 5.391 12.787 8.595 1.00 0.00 C ATOM 0 H PHE A 37 9.651 10.346 7.698 1.00 0.00 H new ATOM 0 HA PHE A 37 8.001 8.836 9.112 1.00 0.00 H new ATOM 0 HB2 PHE A 37 7.981 9.606 6.198 1.00 0.00 H new ATOM 0 HB3 PHE A 37 6.695 8.583 6.807 1.00 0.00 H new ATOM 0 HD1 PHE A 37 8.474 11.752 7.717 1.00 0.00 H new ATOM 0 HD2 PHE A 37 4.795 9.608 7.650 1.00 0.00 H new ATOM 0 HE1 PHE A 37 7.307 13.735 8.575 1.00 0.00 H new ATOM 0 HE2 PHE A 37 3.621 11.591 8.505 1.00 0.00 H new ATOM 0 HZ PHE A 37 4.877 13.658 8.973 1.00 0.00 H new ATOM 540 N LEU A 38 8.921 6.890 6.592 1.00 0.00 N ATOM 541 CA LEU A 38 9.104 5.498 6.196 1.00 0.00 C ATOM 542 C LEU A 38 10.414 5.316 5.435 1.00 0.00 C ATOM 543 O LEU A 38 10.488 5.510 4.221 1.00 0.00 O ATOM 544 CB LEU A 38 7.930 5.035 5.330 1.00 0.00 C ATOM 545 CG LEU A 38 6.537 5.224 5.932 1.00 0.00 C ATOM 546 CD1 LEU A 38 5.495 5.360 4.833 1.00 0.00 C ATOM 547 CD2 LEU A 38 6.193 4.066 6.857 1.00 0.00 C ATOM 0 H LEU A 38 9.095 7.567 5.849 1.00 0.00 H new ATOM 0 HA LEU A 38 9.143 4.891 7.100 1.00 0.00 H new ATOM 0 HB2 LEU A 38 7.970 5.571 4.382 1.00 0.00 H new ATOM 0 HB3 LEU A 38 8.066 3.977 5.104 1.00 0.00 H new ATOM 0 HG LEU A 38 6.538 6.142 6.519 1.00 0.00 H new ATOM 0 HD11 LEU A 38 4.510 5.494 5.280 1.00 0.00 H new ATOM 0 HD12 LEU A 38 5.732 6.224 4.212 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.495 4.460 4.218 1.00 0.00 H new ATOM 0 HD21 LEU A 38 5.198 4.218 7.276 1.00 0.00 H new ATOM 0 HD22 LEU A 38 6.211 3.133 6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 38 6.923 4.016 7.665 1.00 0.00 H new ATOM 559 N PRO A 39 11.473 4.934 6.163 1.00 0.00 N ATOM 560 CA PRO A 39 12.799 4.714 5.578 1.00 0.00 C ATOM 561 C PRO A 39 12.842 3.478 4.686 1.00 0.00 C ATOM 562 O PRO A 39 13.445 3.496 3.612 1.00 0.00 O ATOM 563 CB PRO A 39 13.700 4.523 6.800 1.00 0.00 C ATOM 564 CG PRO A 39 12.788 4.030 7.869 1.00 0.00 C ATOM 565 CD PRO A 39 11.458 4.685 7.615 1.00 0.00 C ATOM 0 HA PRO A 39 13.101 5.540 4.934 1.00 0.00 H new ATOM 0 HB2 PRO A 39 14.496 3.806 6.597 1.00 0.00 H new ATOM 0 HB3 PRO A 39 14.179 5.458 7.089 1.00 0.00 H new ATOM 0 HG2 PRO A 39 12.700 2.944 7.837 1.00 0.00 H new ATOM 0 HG3 PRO A 39 13.168 4.290 8.857 1.00 0.00 H new ATOM 0 HD2 PRO A 39 10.630 4.038 7.903 1.00 0.00 H new ATOM 0 HD3 PRO A 39 11.351 5.611 8.181 1.00 0.00 H new ATOM 573 N TRP A 40 12.199 2.408 5.136 1.00 0.00 N ATOM 574 CA TRP A 40 12.163 1.162 4.378 1.00 0.00 C ATOM 575 C TRP A 40 11.353 1.328 3.098 1.00 0.00 C ATOM 576 O TRP A 40 11.777 0.903 2.023 1.00 0.00 O ATOM 577 CB TRP A 40 11.571 0.039 5.231 1.00 0.00 C ATOM 578 CG TRP A 40 10.216 0.364 5.782 1.00 0.00 C ATOM 579 CD1 TRP A 40 9.014 0.197 5.155 1.00 0.00 C ATOM 580 CD2 TRP A 40 9.924 0.913 7.072 1.00 0.00 C ATOM 581 NE1 TRP A 40 7.992 0.610 5.977 1.00 0.00 N ATOM 582 CE2 TRP A 40 8.525 1.052 7.159 1.00 0.00 C ATOM 583 CE3 TRP A 40 10.708 1.299 8.163 1.00 0.00 C ATOM 584 CZ2 TRP A 40 7.897 1.562 8.292 1.00 0.00 C ATOM 585 CZ3 TRP A 40 10.084 1.805 9.286 1.00 0.00 C ATOM 586 CH2 TRP A 40 8.689 1.932 9.345 1.00 0.00 C ATOM 0 H TRP A 40 11.695 2.377 6.022 1.00 0.00 H new ATOM 0 HA TRP A 40 13.186 0.900 4.107 1.00 0.00 H new ATOM 0 HB2 TRP A 40 11.503 -0.867 4.629 1.00 0.00 H new ATOM 0 HB3 TRP A 40 12.249 -0.177 6.057 1.00 0.00 H new ATOM 0 HD1 TRP A 40 8.885 -0.201 4.159 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.999 0.590 5.745 1.00 0.00 H new ATOM 0 HE3 TRP A 40 11.783 1.203 8.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.823 1.662 8.338 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 10.681 2.108 10.134 1.00 0.00 H new ATOM 0 HH2 TRP A 40 8.231 2.329 10.239 1.00 0.00 H new ATOM 597 N LYS A 41 10.183 1.946 3.218 1.00 0.00 N ATOM 598 CA LYS A 41 9.314 2.170 2.070 1.00 0.00 C ATOM 599 C LYS A 41 10.055 2.909 0.961 1.00 0.00 C ATOM 600 O LYS A 41 10.817 3.839 1.225 1.00 0.00 O ATOM 601 CB LYS A 41 8.075 2.965 2.489 1.00 0.00 C ATOM 602 CG LYS A 41 7.026 2.128 3.201 1.00 0.00 C ATOM 603 CD LYS A 41 6.379 1.127 2.259 1.00 0.00 C ATOM 604 CE LYS A 41 5.341 0.278 2.976 1.00 0.00 C ATOM 605 NZ LYS A 41 5.942 -0.942 3.580 1.00 0.00 N ATOM 0 H LYS A 41 9.815 2.301 4.100 1.00 0.00 H new ATOM 0 HA LYS A 41 9.002 1.198 1.688 1.00 0.00 H new ATOM 0 HB2 LYS A 41 8.382 3.781 3.143 1.00 0.00 H new ATOM 0 HB3 LYS A 41 7.627 3.417 1.604 1.00 0.00 H new ATOM 0 HG2 LYS A 41 7.486 1.599 4.036 1.00 0.00 H new ATOM 0 HG3 LYS A 41 6.261 2.781 3.621 1.00 0.00 H new ATOM 0 HD2 LYS A 41 5.908 1.657 1.431 1.00 0.00 H new ATOM 0 HD3 LYS A 41 7.145 0.481 1.830 1.00 0.00 H new ATOM 0 HE2 LYS A 41 4.863 0.871 3.756 1.00 0.00 H new ATOM 0 HE3 LYS A 41 4.561 -0.012 2.272 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 5.268 -1.366 4.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 6.163 -1.628 2.830 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 6.816 -0.686 4.083 1.00 0.00 H new ATOM 619 N SER A 42 9.825 2.492 -0.280 1.00 0.00 N ATOM 620 CA SER A 42 10.473 3.114 -1.428 1.00 0.00 C ATOM 621 C SER A 42 9.930 4.520 -1.663 1.00 0.00 C ATOM 622 O SER A 42 8.883 4.890 -1.130 1.00 0.00 O ATOM 623 CB SER A 42 10.267 2.259 -2.681 1.00 0.00 C ATOM 624 OG SER A 42 11.310 1.311 -2.829 1.00 0.00 O ATOM 0 H SER A 42 9.194 1.726 -0.516 1.00 0.00 H new ATOM 0 HA SER A 42 11.540 3.186 -1.217 1.00 0.00 H new ATOM 0 HB2 SER A 42 9.309 1.743 -2.620 1.00 0.00 H new ATOM 0 HB3 SER A 42 10.228 2.901 -3.561 1.00 0.00 H new ATOM 0 HG SER A 42 11.154 0.776 -3.635 1.00 0.00 H new ATOM 630 N LEU A 43 10.649 5.298 -2.464 1.00 0.00 N ATOM 631 CA LEU A 43 10.240 6.664 -2.771 1.00 0.00 C ATOM 632 C LEU A 43 8.991 6.676 -3.646 1.00 0.00 C ATOM 633 O LEU A 43 7.930 7.142 -3.228 1.00 0.00 O ATOM 634 CB LEU A 43 11.376 7.412 -3.473 1.00 0.00 C ATOM 635 CG LEU A 43 11.035 8.806 -4.001 1.00 0.00 C ATOM 636 CD1 LEU A 43 11.188 9.846 -2.903 1.00 0.00 C ATOM 637 CD2 LEU A 43 11.917 9.153 -5.193 1.00 0.00 C ATOM 0 H LEU A 43 11.518 5.007 -2.912 1.00 0.00 H new ATOM 0 HA LEU A 43 10.007 7.167 -1.832 1.00 0.00 H new ATOM 0 HB2 LEU A 43 12.209 7.503 -2.776 1.00 0.00 H new ATOM 0 HB3 LEU A 43 11.723 6.804 -4.308 1.00 0.00 H new ATOM 0 HG LEU A 43 9.996 8.806 -4.329 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.941 10.831 -3.298 1.00 0.00 H new ATOM 0 HD12 LEU A 43 10.516 9.607 -2.079 1.00 0.00 H new ATOM 0 HD13 LEU A 43 12.217 9.847 -2.543 1.00 0.00 H new ATOM 0 HD21 LEU A 43 11.662 10.148 -5.557 1.00 0.00 H new ATOM 0 HD22 LEU A 43 12.963 9.135 -4.889 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.758 8.424 -5.988 1.00 0.00 H new ATOM 649 N THR A 44 9.123 6.159 -4.864 1.00 0.00 N ATOM 650 CA THR A 44 8.006 6.109 -5.798 1.00 0.00 C ATOM 651 C THR A 44 6.848 5.298 -5.227 1.00 0.00 C ATOM 652 O THR A 44 5.697 5.729 -5.267 1.00 0.00 O ATOM 653 CB THR A 44 8.429 5.499 -7.147 1.00 0.00 C ATOM 654 OG1 THR A 44 9.809 5.782 -7.403 1.00 0.00 O ATOM 655 CG2 THR A 44 7.575 6.047 -8.282 1.00 0.00 C ATOM 0 H THR A 44 9.993 5.769 -5.226 1.00 0.00 H new ATOM 0 HA THR A 44 7.682 7.137 -5.958 1.00 0.00 H new ATOM 0 HB THR A 44 8.284 4.420 -7.092 1.00 0.00 H new ATOM 0 HG1 THR A 44 10.070 5.389 -8.262 1.00 0.00 H new ATOM 0 HG21 THR A 44 7.893 5.601 -9.224 1.00 0.00 H new ATOM 0 HG22 THR A 44 6.528 5.803 -8.100 1.00 0.00 H new ATOM 0 HG23 THR A 44 7.692 7.129 -8.335 1.00 0.00 H new ATOM 663 N SER A 45 7.162 4.120 -4.697 1.00 0.00 N ATOM 664 CA SER A 45 6.147 3.246 -4.120 1.00 0.00 C ATOM 665 C SER A 45 5.138 4.050 -3.305 1.00 0.00 C ATOM 666 O SER A 45 3.931 3.816 -3.384 1.00 0.00 O ATOM 667 CB SER A 45 6.800 2.182 -3.237 1.00 0.00 C ATOM 668 OG SER A 45 5.905 1.115 -2.977 1.00 0.00 O ATOM 0 H SER A 45 8.111 3.749 -4.655 1.00 0.00 H new ATOM 0 HA SER A 45 5.620 2.755 -4.938 1.00 0.00 H new ATOM 0 HB2 SER A 45 7.695 1.799 -3.726 1.00 0.00 H new ATOM 0 HB3 SER A 45 7.118 2.631 -2.296 1.00 0.00 H new ATOM 0 HG SER A 45 6.164 0.334 -3.509 1.00 0.00 H new ATOM 674 N ILE A 46 5.641 4.998 -2.521 1.00 0.00 N ATOM 675 CA ILE A 46 4.785 5.837 -1.692 1.00 0.00 C ATOM 676 C ILE A 46 3.999 6.830 -2.542 1.00 0.00 C ATOM 677 O ILE A 46 2.885 7.218 -2.191 1.00 0.00 O ATOM 678 CB ILE A 46 5.603 6.612 -0.642 1.00 0.00 C ATOM 679 CG1 ILE A 46 6.323 5.640 0.294 1.00 0.00 C ATOM 680 CG2 ILE A 46 4.700 7.547 0.148 1.00 0.00 C ATOM 681 CD1 ILE A 46 7.550 6.231 0.952 1.00 0.00 C ATOM 0 H ILE A 46 6.637 5.204 -2.443 1.00 0.00 H new ATOM 0 HA ILE A 46 4.090 5.171 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 46 6.353 7.213 -1.157 1.00 0.00 H new ATOM 0 HG12 ILE A 46 5.629 5.312 1.067 1.00 0.00 H new ATOM 0 HG13 ILE A 46 6.614 4.754 -0.270 1.00 0.00 H new ATOM 0 HG21 ILE A 46 5.293 8.088 0.886 1.00 0.00 H new ATOM 0 HG22 ILE A 46 4.229 8.258 -0.531 1.00 0.00 H new ATOM 0 HG23 ILE A 46 3.930 6.966 0.656 1.00 0.00 H new ATOM 0 HD11 ILE A 46 8.009 5.486 1.601 1.00 0.00 H new ATOM 0 HD12 ILE A 46 8.264 6.534 0.186 1.00 0.00 H new ATOM 0 HD13 ILE A 46 7.263 7.100 1.544 1.00 0.00 H new ATOM 693 N ILE A 47 4.587 7.238 -3.663 1.00 0.00 N ATOM 694 CA ILE A 47 3.941 8.184 -4.564 1.00 0.00 C ATOM 695 C ILE A 47 2.667 7.593 -5.159 1.00 0.00 C ATOM 696 O ILE A 47 1.585 8.162 -5.021 1.00 0.00 O ATOM 697 CB ILE A 47 4.883 8.602 -5.709 1.00 0.00 C ATOM 698 CG1 ILE A 47 6.008 9.491 -5.174 1.00 0.00 C ATOM 699 CG2 ILE A 47 4.103 9.325 -6.797 1.00 0.00 C ATOM 700 CD1 ILE A 47 7.153 9.668 -6.147 1.00 0.00 C ATOM 0 H ILE A 47 5.510 6.928 -3.968 1.00 0.00 H new ATOM 0 HA ILE A 47 3.689 9.064 -3.972 1.00 0.00 H new ATOM 0 HB ILE A 47 5.328 7.705 -6.141 1.00 0.00 H new ATOM 0 HG12 ILE A 47 5.599 10.470 -4.925 1.00 0.00 H new ATOM 0 HG13 ILE A 47 6.391 9.061 -4.249 1.00 0.00 H new ATOM 0 HG21 ILE A 47 4.781 9.615 -7.600 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.333 8.663 -7.194 1.00 0.00 H new ATOM 0 HG23 ILE A 47 3.635 10.216 -6.378 1.00 0.00 H new ATOM 0 HD11 ILE A 47 7.913 10.309 -5.701 1.00 0.00 H new ATOM 0 HD12 ILE A 47 7.588 8.696 -6.378 1.00 0.00 H new ATOM 0 HD13 ILE A 47 6.784 10.127 -7.064 1.00 0.00 H new ATOM 712 N GLU A 48 2.804 6.447 -5.818 1.00 0.00 N ATOM 713 CA GLU A 48 1.663 5.778 -6.433 1.00 0.00 C ATOM 714 C GLU A 48 0.460 5.783 -5.494 1.00 0.00 C ATOM 715 O GLU A 48 -0.685 5.889 -5.935 1.00 0.00 O ATOM 716 CB GLU A 48 2.027 4.340 -6.808 1.00 0.00 C ATOM 717 CG GLU A 48 2.708 4.218 -8.160 1.00 0.00 C ATOM 718 CD GLU A 48 1.722 4.013 -9.294 1.00 0.00 C ATOM 719 OE1 GLU A 48 0.732 3.279 -9.092 1.00 0.00 O ATOM 720 OE2 GLU A 48 1.939 4.587 -10.381 1.00 0.00 O ATOM 0 H GLU A 48 3.693 5.962 -5.940 1.00 0.00 H new ATOM 0 HA GLU A 48 1.398 6.324 -7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 48 2.684 3.929 -6.041 1.00 0.00 H new ATOM 0 HB3 GLU A 48 1.121 3.734 -6.811 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.293 5.118 -8.350 1.00 0.00 H new ATOM 0 HG3 GLU A 48 3.407 3.382 -8.136 1.00 0.00 H new ATOM 727 N TYR A 49 0.729 5.666 -4.198 1.00 0.00 N ATOM 728 CA TYR A 49 -0.332 5.652 -3.197 1.00 0.00 C ATOM 729 C TYR A 49 -1.064 6.990 -3.161 1.00 0.00 C ATOM 730 O TYR A 49 -2.280 7.040 -2.967 1.00 0.00 O ATOM 731 CB TYR A 49 0.247 5.338 -1.816 1.00 0.00 C ATOM 732 CG TYR A 49 -0.719 4.615 -0.905 1.00 0.00 C ATOM 733 CD1 TYR A 49 -1.837 5.261 -0.392 1.00 0.00 C ATOM 734 CD2 TYR A 49 -0.514 3.286 -0.556 1.00 0.00 C ATOM 735 CE1 TYR A 49 -2.723 4.605 0.441 1.00 0.00 C ATOM 736 CE2 TYR A 49 -1.394 2.621 0.275 1.00 0.00 C ATOM 737 CZ TYR A 49 -2.497 3.285 0.771 1.00 0.00 C ATOM 738 OH TYR A 49 -3.376 2.627 1.601 1.00 0.00 O ATOM 0 H TYR A 49 1.671 5.580 -3.816 1.00 0.00 H new ATOM 0 HA TYR A 49 -1.046 4.875 -3.471 1.00 0.00 H new ATOM 0 HB2 TYR A 49 1.144 4.730 -1.937 1.00 0.00 H new ATOM 0 HB3 TYR A 49 0.555 6.269 -1.340 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -2.017 6.294 -0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 49 0.349 2.764 -0.941 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -3.587 5.123 0.831 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -1.220 1.587 0.535 1.00 0.00 H new ATOM 0 HH TYR A 49 -3.073 1.704 1.733 1.00 0.00 H new ATOM 748 N TYR A 50 -0.316 8.071 -3.350 1.00 0.00 N ATOM 749 CA TYR A 50 -0.894 9.411 -3.338 1.00 0.00 C ATOM 750 C TYR A 50 -1.942 9.562 -4.436 1.00 0.00 C ATOM 751 O TYR A 50 -2.985 10.184 -4.233 1.00 0.00 O ATOM 752 CB TYR A 50 0.202 10.462 -3.518 1.00 0.00 C ATOM 753 CG TYR A 50 -0.321 11.818 -3.933 1.00 0.00 C ATOM 754 CD1 TYR A 50 -1.432 12.376 -3.313 1.00 0.00 C ATOM 755 CD2 TYR A 50 0.294 12.541 -4.949 1.00 0.00 C ATOM 756 CE1 TYR A 50 -1.914 13.615 -3.691 1.00 0.00 C ATOM 757 CE2 TYR A 50 -0.180 13.781 -5.332 1.00 0.00 C ATOM 758 CZ TYR A 50 -1.285 14.312 -4.699 1.00 0.00 C ATOM 759 OH TYR A 50 -1.762 15.547 -5.080 1.00 0.00 O ATOM 0 H TYR A 50 0.691 8.047 -3.513 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.379 9.561 -2.374 1.00 0.00 H new ATOM 0 HB2 TYR A 50 0.752 10.565 -2.583 1.00 0.00 H new ATOM 0 HB3 TYR A 50 0.911 10.111 -4.268 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -1.927 11.832 -2.522 1.00 0.00 H new ATOM 0 HD2 TYR A 50 1.157 12.126 -5.448 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -2.779 14.034 -3.199 1.00 0.00 H new ATOM 0 HE2 TYR A 50 0.311 14.331 -6.121 1.00 0.00 H new ATOM 0 HH TYR A 50 -1.205 15.904 -5.803 1.00 0.00 H new ATOM 769 N TYR A 51 -1.658 8.988 -5.600 1.00 0.00 N ATOM 770 CA TYR A 51 -2.575 9.059 -6.731 1.00 0.00 C ATOM 771 C TYR A 51 -3.948 8.509 -6.356 1.00 0.00 C ATOM 772 O TYR A 51 -4.965 9.181 -6.525 1.00 0.00 O ATOM 773 CB TYR A 51 -2.011 8.282 -7.922 1.00 0.00 C ATOM 774 CG TYR A 51 -0.636 8.744 -8.349 1.00 0.00 C ATOM 775 CD1 TYR A 51 -0.296 10.091 -8.329 1.00 0.00 C ATOM 776 CD2 TYR A 51 0.323 7.833 -8.772 1.00 0.00 C ATOM 777 CE1 TYR A 51 0.958 10.517 -8.720 1.00 0.00 C ATOM 778 CE2 TYR A 51 1.581 8.250 -9.164 1.00 0.00 C ATOM 779 CZ TYR A 51 1.893 9.594 -9.136 1.00 0.00 C ATOM 780 OH TYR A 51 3.145 10.014 -9.525 1.00 0.00 O ATOM 0 H TYR A 51 -0.800 8.468 -5.785 1.00 0.00 H new ATOM 0 HA TYR A 51 -2.687 10.107 -7.009 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.966 7.223 -7.666 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -2.695 8.378 -8.765 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.025 10.818 -8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 51 0.082 6.781 -8.795 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.205 11.568 -8.700 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.315 7.528 -9.490 1.00 0.00 H new ATOM 0 HH TYR A 51 3.683 9.238 -9.788 1.00 0.00 H new ATOM 790 N MET A 52 -3.967 7.283 -5.844 1.00 0.00 N ATOM 791 CA MET A 52 -5.214 6.642 -5.442 1.00 0.00 C ATOM 792 C MET A 52 -5.977 7.513 -4.450 1.00 0.00 C ATOM 793 O MET A 52 -7.116 7.908 -4.703 1.00 0.00 O ATOM 794 CB MET A 52 -4.932 5.271 -4.824 1.00 0.00 C ATOM 795 CG MET A 52 -6.186 4.536 -4.380 1.00 0.00 C ATOM 796 SD MET A 52 -5.889 3.444 -2.977 1.00 0.00 S ATOM 797 CE MET A 52 -5.496 4.634 -1.697 1.00 0.00 C ATOM 0 H MET A 52 -3.134 6.713 -5.698 1.00 0.00 H new ATOM 0 HA MET A 52 -5.830 6.511 -6.332 1.00 0.00 H new ATOM 0 HB2 MET A 52 -4.398 4.657 -5.550 1.00 0.00 H new ATOM 0 HB3 MET A 52 -4.271 5.397 -3.966 1.00 0.00 H new ATOM 0 HG2 MET A 52 -6.954 5.263 -4.114 1.00 0.00 H new ATOM 0 HG3 MET A 52 -6.575 3.952 -5.214 1.00 0.00 H new ATOM 0 HE1 MET A 52 -5.652 4.180 -0.718 1.00 0.00 H new ATOM 0 HE2 MET A 52 -4.454 4.941 -1.793 1.00 0.00 H new ATOM 0 HE3 MET A 52 -6.142 5.506 -1.800 1.00 0.00 H new ATOM 807 N TRP A 53 -5.343 7.809 -3.320 1.00 0.00 N ATOM 808 CA TRP A 53 -5.964 8.633 -2.289 1.00 0.00 C ATOM 809 C TRP A 53 -6.467 9.948 -2.873 1.00 0.00 C ATOM 810 O TRP A 53 -7.591 10.371 -2.601 1.00 0.00 O ATOM 811 CB TRP A 53 -4.969 8.909 -1.161 1.00 0.00 C ATOM 812 CG TRP A 53 -5.618 9.399 0.097 1.00 0.00 C ATOM 813 CD1 TRP A 53 -6.522 8.726 0.870 1.00 0.00 C ATOM 814 CD2 TRP A 53 -5.415 10.669 0.728 1.00 0.00 C ATOM 815 NE1 TRP A 53 -6.893 9.501 1.942 1.00 0.00 N ATOM 816 CE2 TRP A 53 -6.228 10.696 1.879 1.00 0.00 C ATOM 817 CE3 TRP A 53 -4.625 11.783 0.435 1.00 0.00 C ATOM 818 CZ2 TRP A 53 -6.272 11.796 2.733 1.00 0.00 C ATOM 819 CZ3 TRP A 53 -4.670 12.873 1.283 1.00 0.00 C ATOM 820 CH2 TRP A 53 -5.487 12.873 2.421 1.00 0.00 C ATOM 0 H TRP A 53 -4.400 7.491 -3.095 1.00 0.00 H new ATOM 0 HA TRP A 53 -6.817 8.086 -1.886 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -4.415 7.996 -0.944 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -4.244 9.649 -1.499 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.891 7.731 0.668 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.557 9.230 2.668 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -3.990 11.792 -0.439 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.903 11.799 3.610 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -4.065 13.740 1.065 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -5.498 13.740 3.065 1.00 0.00 H new ATOM 831 N LYS A 54 -5.628 10.593 -3.677 1.00 0.00 N ATOM 832 CA LYS A 54 -5.988 11.860 -4.301 1.00 0.00 C ATOM 833 C LYS A 54 -7.369 11.778 -4.943 1.00 0.00 C ATOM 834 O LYS A 54 -8.278 12.528 -4.586 1.00 0.00 O ATOM 835 CB LYS A 54 -4.947 12.248 -5.354 1.00 0.00 C ATOM 836 CG LYS A 54 -5.214 13.593 -6.007 1.00 0.00 C ATOM 837 CD LYS A 54 -4.666 13.644 -7.424 1.00 0.00 C ATOM 838 CE LYS A 54 -3.149 13.750 -7.432 1.00 0.00 C ATOM 839 NZ LYS A 54 -2.558 13.169 -8.668 1.00 0.00 N ATOM 0 H LYS A 54 -4.693 10.258 -3.912 1.00 0.00 H new ATOM 0 HA LYS A 54 -6.013 12.624 -3.524 1.00 0.00 H new ATOM 0 HB2 LYS A 54 -3.962 12.269 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 54 -4.919 11.478 -6.125 1.00 0.00 H new ATOM 0 HG2 LYS A 54 -6.287 13.784 -6.024 1.00 0.00 H new ATOM 0 HG3 LYS A 54 -4.759 14.384 -5.411 1.00 0.00 H new ATOM 0 HD2 LYS A 54 -4.972 12.749 -7.966 1.00 0.00 H new ATOM 0 HD3 LYS A 54 -5.094 14.497 -7.950 1.00 0.00 H new ATOM 0 HE2 LYS A 54 -2.858 14.797 -7.348 1.00 0.00 H new ATOM 0 HE3 LYS A 54 -2.745 13.236 -6.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 -1.523 13.261 -8.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 -2.814 12.163 -8.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 -2.924 13.676 -9.499 1.00 0.00 H new ATOM 853 N THR A 55 -7.522 10.860 -5.892 1.00 0.00 N ATOM 854 CA THR A 55 -8.792 10.679 -6.584 1.00 0.00 C ATOM 855 C THR A 55 -9.871 10.179 -5.629 1.00 0.00 C ATOM 856 O THR A 55 -11.028 10.594 -5.710 1.00 0.00 O ATOM 857 CB THR A 55 -8.659 9.688 -7.755 1.00 0.00 C ATOM 858 OG1 THR A 55 -8.590 8.347 -7.257 1.00 0.00 O ATOM 859 CG2 THR A 55 -7.418 9.991 -8.582 1.00 0.00 C ATOM 0 H THR A 55 -6.781 10.230 -6.199 1.00 0.00 H new ATOM 0 HA THR A 55 -9.080 11.654 -6.976 1.00 0.00 H new ATOM 0 HB THR A 55 -9.537 9.794 -8.393 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.990 8.316 -6.483 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.345 9.278 -9.403 1.00 0.00 H new ATOM 0 HG22 THR A 55 -7.486 11.002 -8.984 1.00 0.00 H new ATOM 0 HG23 THR A 55 -6.532 9.910 -7.952 1.00 0.00 H new ATOM 867 N THR A 56 -9.486 9.284 -4.725 1.00 0.00 N ATOM 868 CA THR A 56 -10.420 8.727 -3.755 1.00 0.00 C ATOM 869 C THR A 56 -11.284 9.818 -3.133 1.00 0.00 C ATOM 870 O THR A 56 -12.512 9.727 -3.135 1.00 0.00 O ATOM 871 CB THR A 56 -9.682 7.971 -2.634 1.00 0.00 C ATOM 872 OG1 THR A 56 -8.814 6.982 -3.199 1.00 0.00 O ATOM 873 CG2 THR A 56 -10.670 7.305 -1.688 1.00 0.00 C ATOM 0 H THR A 56 -8.533 8.929 -4.645 1.00 0.00 H new ATOM 0 HA THR A 56 -11.057 8.028 -4.296 1.00 0.00 H new ATOM 0 HB THR A 56 -9.092 8.692 -2.068 1.00 0.00 H new ATOM 0 HG1 THR A 56 -8.513 7.278 -4.084 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.125 6.778 -0.905 1.00 0.00 H new ATOM 0 HG22 THR A 56 -11.310 8.064 -1.237 1.00 0.00 H new ATOM 0 HG23 THR A 56 -11.284 6.596 -2.243 1.00 0.00 H new ATOM 881 N ASP A 57 -10.635 10.849 -2.604 1.00 0.00 N ATOM 882 CA ASP A 57 -11.345 11.960 -1.979 1.00 0.00 C ATOM 883 C ASP A 57 -12.423 11.450 -1.028 1.00 0.00 C ATOM 884 O ASP A 57 -13.536 11.976 -0.997 1.00 0.00 O ATOM 885 CB ASP A 57 -11.972 12.856 -3.048 1.00 0.00 C ATOM 886 CG ASP A 57 -10.977 13.836 -3.639 1.00 0.00 C ATOM 887 OD1 ASP A 57 -9.980 14.152 -2.957 1.00 0.00 O ATOM 888 OD2 ASP A 57 -11.196 14.287 -4.784 1.00 0.00 O ATOM 0 H ASP A 57 -9.619 10.939 -2.595 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.625 12.542 -1.404 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.382 12.234 -3.844 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.806 13.407 -2.613 1.00 0.00 H new ATOM 893 N ARG A 58 -12.086 10.422 -0.256 1.00 0.00 N ATOM 894 CA ARG A 58 -13.027 9.840 0.694 1.00 0.00 C ATOM 895 C ARG A 58 -12.914 10.520 2.055 1.00 0.00 C ATOM 896 O ARG A 58 -13.917 10.919 2.646 1.00 0.00 O ATOM 897 CB ARG A 58 -12.773 8.338 0.839 1.00 0.00 C ATOM 898 CG ARG A 58 -13.711 7.655 1.820 1.00 0.00 C ATOM 899 CD ARG A 58 -13.749 6.151 1.598 1.00 0.00 C ATOM 900 NE ARG A 58 -15.007 5.562 2.053 1.00 0.00 N ATOM 901 CZ ARG A 58 -16.109 5.522 1.314 1.00 0.00 C ATOM 902 NH1 ARG A 58 -16.110 6.032 0.090 1.00 0.00 N ATOM 903 NH2 ARG A 58 -17.214 4.969 1.798 1.00 0.00 N ATOM 0 H ARG A 58 -11.169 9.975 -0.270 1.00 0.00 H new ATOM 0 HA ARG A 58 -14.036 9.996 0.312 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -12.875 7.865 -0.138 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -11.744 8.181 1.164 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -13.389 7.865 2.840 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -14.715 8.066 1.711 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -13.611 5.937 0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -12.918 5.685 2.128 1.00 0.00 H new ATOM 0 HE ARG A 58 -15.040 5.160 2.990 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -15.262 6.457 -0.286 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -16.958 6.000 -0.475 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -17.217 4.574 2.739 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -18.060 4.939 1.229 1.00 0.00 H new ATOM 917 N TYR A 59 -11.686 10.645 2.549 1.00 0.00 N ATOM 918 CA TYR A 59 -11.443 11.273 3.842 1.00 0.00 C ATOM 919 C TYR A 59 -10.413 12.392 3.719 1.00 0.00 C ATOM 920 O TYR A 59 -9.232 12.198 4.007 1.00 0.00 O ATOM 921 CB TYR A 59 -10.964 10.233 4.856 1.00 0.00 C ATOM 922 CG TYR A 59 -10.874 10.761 6.269 1.00 0.00 C ATOM 923 CD1 TYR A 59 -11.952 11.410 6.859 1.00 0.00 C ATOM 924 CD2 TYR A 59 -9.712 10.612 7.016 1.00 0.00 C ATOM 925 CE1 TYR A 59 -11.875 11.895 8.150 1.00 0.00 C ATOM 926 CE2 TYR A 59 -9.626 11.093 8.308 1.00 0.00 C ATOM 927 CZ TYR A 59 -10.710 11.734 8.871 1.00 0.00 C ATOM 928 OH TYR A 59 -10.629 12.215 10.157 1.00 0.00 O ATOM 0 H TYR A 59 -10.844 10.320 2.073 1.00 0.00 H new ATOM 0 HA TYR A 59 -12.382 11.704 4.190 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -11.644 9.381 4.838 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -9.984 9.866 4.551 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -12.866 11.537 6.298 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.861 10.111 6.579 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -12.722 12.398 8.593 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.715 10.968 8.874 1.00 0.00 H new ATOM 0 HH TYR A 59 -9.742 12.019 10.524 1.00 0.00 H new ATOM 938 N VAL A 60 -10.871 13.564 3.290 1.00 0.00 N ATOM 939 CA VAL A 60 -9.991 14.715 3.130 1.00 0.00 C ATOM 940 C VAL A 60 -10.073 15.642 4.339 1.00 0.00 C ATOM 941 O VAL A 60 -11.086 15.681 5.035 1.00 0.00 O ATOM 942 CB VAL A 60 -10.338 15.515 1.860 1.00 0.00 C ATOM 943 CG1 VAL A 60 -11.750 16.076 1.952 1.00 0.00 C ATOM 944 CG2 VAL A 60 -9.327 16.630 1.640 1.00 0.00 C ATOM 0 H VAL A 60 -11.846 13.741 3.047 1.00 0.00 H new ATOM 0 HA VAL A 60 -8.976 14.327 3.041 1.00 0.00 H new ATOM 0 HB VAL A 60 -10.294 14.842 1.004 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -11.978 16.638 1.046 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -12.461 15.257 2.059 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -11.824 16.736 2.817 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -9.588 17.185 0.739 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -9.337 17.304 2.496 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -8.331 16.201 1.527 1.00 0.00 H new ATOM 954 N GLN A 61 -8.998 16.385 4.582 1.00 0.00 N ATOM 955 CA GLN A 61 -8.948 17.311 5.707 1.00 0.00 C ATOM 956 C GLN A 61 -10.215 18.157 5.772 1.00 0.00 C ATOM 957 O GLN A 61 -10.842 18.432 4.748 1.00 0.00 O ATOM 958 CB GLN A 61 -7.720 18.216 5.596 1.00 0.00 C ATOM 959 CG GLN A 61 -6.403 17.457 5.604 1.00 0.00 C ATOM 960 CD GLN A 61 -5.923 17.135 7.005 1.00 0.00 C ATOM 961 OE1 GLN A 61 -6.146 16.036 7.513 1.00 0.00 O ATOM 962 NE2 GLN A 61 -5.260 18.094 7.639 1.00 0.00 N ATOM 0 H GLN A 61 -8.150 16.364 4.015 1.00 0.00 H new ATOM 0 HA GLN A 61 -8.877 16.726 6.624 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -7.789 18.797 4.677 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -7.726 18.926 6.423 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -6.519 16.530 5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -5.644 18.048 5.091 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -5.097 18.990 7.180 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -4.913 17.935 8.585 1.00 0.00 H new ATOM 971 N GLN A 62 -10.586 18.567 6.981 1.00 0.00 N ATOM 972 CA GLN A 62 -11.778 19.382 7.177 1.00 0.00 C ATOM 973 C GLN A 62 -11.526 20.827 6.760 1.00 0.00 C ATOM 974 O GLN A 62 -10.496 21.411 7.097 1.00 0.00 O ATOM 975 CB GLN A 62 -12.221 19.331 8.641 1.00 0.00 C ATOM 976 CG GLN A 62 -13.474 20.142 8.926 1.00 0.00 C ATOM 977 CD GLN A 62 -13.988 19.945 10.339 1.00 0.00 C ATOM 978 OE1 GLN A 62 -14.346 18.834 10.732 1.00 0.00 O ATOM 979 NE2 GLN A 62 -14.027 21.025 11.111 1.00 0.00 N ATOM 0 H GLN A 62 -10.078 18.348 7.838 1.00 0.00 H new ATOM 0 HA GLN A 62 -12.571 18.976 6.550 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -12.398 18.293 8.922 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -11.410 19.698 9.270 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.263 21.199 8.764 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -14.253 19.861 8.218 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -13.720 21.926 10.744 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -14.364 20.954 12.071 1.00 0.00 H new ATOM 988 N LYS A 63 -12.473 21.400 6.024 1.00 0.00 N ATOM 989 CA LYS A 63 -12.354 22.777 5.561 1.00 0.00 C ATOM 990 C LYS A 63 -13.244 23.705 6.382 1.00 0.00 C ATOM 991 O LYS A 63 -14.434 23.444 6.558 1.00 0.00 O ATOM 992 CB LYS A 63 -12.728 22.872 4.080 1.00 0.00 C ATOM 993 CG LYS A 63 -12.076 24.042 3.363 1.00 0.00 C ATOM 994 CD LYS A 63 -11.899 23.757 1.880 1.00 0.00 C ATOM 995 CE LYS A 63 -11.783 25.043 1.076 1.00 0.00 C ATOM 996 NZ LYS A 63 -10.503 25.754 1.347 1.00 0.00 N ATOM 0 H LYS A 63 -13.332 20.931 5.736 1.00 0.00 H new ATOM 0 HA LYS A 63 -11.318 23.090 5.689 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -12.442 21.946 3.581 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -13.811 22.960 3.992 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -12.686 24.936 3.493 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -11.105 24.251 3.813 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -11.006 23.150 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -12.746 23.174 1.517 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -11.853 24.814 0.013 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -12.620 25.698 1.317 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -10.463 26.625 0.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -10.447 25.996 2.357 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -9.704 25.139 1.094 1.00 0.00 H new ATOM 1010 N ARG A 64 -12.660 24.790 6.880 1.00 0.00 N ATOM 1011 CA ARG A 64 -13.399 25.757 7.681 1.00 0.00 C ATOM 1012 C ARG A 64 -12.751 27.136 7.606 1.00 0.00 C ATOM 1013 O ARG A 64 -11.559 27.257 7.323 1.00 0.00 O ATOM 1014 CB ARG A 64 -13.473 25.295 9.137 1.00 0.00 C ATOM 1015 CG ARG A 64 -14.411 26.129 9.995 1.00 0.00 C ATOM 1016 CD ARG A 64 -15.867 25.797 9.711 1.00 0.00 C ATOM 1017 NE ARG A 64 -16.310 26.329 8.425 1.00 0.00 N ATOM 1018 CZ ARG A 64 -16.751 27.570 8.255 1.00 0.00 C ATOM 1019 NH1 ARG A 64 -16.810 28.403 9.286 1.00 0.00 N ATOM 1020 NH2 ARG A 64 -17.135 27.981 7.054 1.00 0.00 N ATOM 0 H ARG A 64 -11.676 25.021 6.742 1.00 0.00 H new ATOM 0 HA ARG A 64 -14.409 25.828 7.277 1.00 0.00 H new ATOM 0 HB2 ARG A 64 -13.799 24.255 9.163 1.00 0.00 H new ATOM 0 HB3 ARG A 64 -12.473 25.327 9.570 1.00 0.00 H new ATOM 0 HG2 ARG A 64 -14.195 25.953 11.049 1.00 0.00 H new ATOM 0 HG3 ARG A 64 -14.234 27.188 9.806 1.00 0.00 H new ATOM 0 HD2 ARG A 64 -16.001 24.715 9.721 1.00 0.00 H new ATOM 0 HD3 ARG A 64 -16.493 26.203 10.506 1.00 0.00 H new ATOM 0 HE ARG A 64 -16.279 25.713 7.612 1.00 0.00 H new ATOM 0 HH11 ARG A 64 -16.516 28.091 10.211 1.00 0.00 H new ATOM 0 HH12 ARG A 64 -17.149 29.356 9.153 1.00 0.00 H new ATOM 0 HH21 ARG A 64 -17.092 27.344 6.259 1.00 0.00 H new ATOM 0 HH22 ARG A 64 -17.473 28.935 6.925 1.00 0.00 H new ATOM 1034 N SER A 65 -13.543 28.172 7.860 1.00 0.00 N ATOM 1035 CA SER A 65 -13.047 29.542 7.817 1.00 0.00 C ATOM 1036 C SER A 65 -12.103 29.815 8.985 1.00 0.00 C ATOM 1037 O SER A 65 -12.526 30.270 10.047 1.00 0.00 O ATOM 1038 CB SER A 65 -14.213 30.531 7.849 1.00 0.00 C ATOM 1039 OG SER A 65 -15.144 30.256 6.815 1.00 0.00 O ATOM 0 H SER A 65 -14.531 28.089 8.098 1.00 0.00 H new ATOM 0 HA SER A 65 -12.495 29.672 6.886 1.00 0.00 H new ATOM 0 HB2 SER A 65 -14.713 30.478 8.816 1.00 0.00 H new ATOM 0 HB3 SER A 65 -13.835 31.548 7.741 1.00 0.00 H new ATOM 0 HG SER A 65 -15.881 30.901 6.858 1.00 0.00 H new ATOM 1045 N GLY A 66 -10.820 29.534 8.779 1.00 0.00 N ATOM 1046 CA GLY A 66 -9.835 29.755 9.822 1.00 0.00 C ATOM 1047 C GLY A 66 -8.505 30.233 9.272 1.00 0.00 C ATOM 1048 O GLY A 66 -8.416 30.726 8.147 1.00 0.00 O ATOM 0 H GLY A 66 -10.445 29.157 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -10.218 30.491 10.529 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -9.684 28.829 10.377 1.00 0.00 H new ATOM 1052 N PRO A 67 -7.442 30.089 10.077 1.00 0.00 N ATOM 1053 CA PRO A 67 -6.092 30.506 9.686 1.00 0.00 C ATOM 1054 C PRO A 67 -5.507 29.619 8.592 1.00 0.00 C ATOM 1055 O PRO A 67 -4.944 28.560 8.872 1.00 0.00 O ATOM 1056 CB PRO A 67 -5.288 30.359 10.980 1.00 0.00 C ATOM 1057 CG PRO A 67 -6.022 29.331 11.768 1.00 0.00 C ATOM 1058 CD PRO A 67 -7.476 29.510 11.430 1.00 0.00 C ATOM 0 HA PRO A 67 -6.079 31.514 9.272 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -4.264 30.045 10.776 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -5.230 31.304 11.520 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -5.683 28.327 11.512 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -5.851 29.463 12.836 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -8.013 28.561 11.448 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -7.975 30.172 12.138 1.00 0.00 H new ATOM 1066 N SER A 68 -5.642 30.059 7.344 1.00 0.00 N ATOM 1067 CA SER A 68 -5.128 29.304 6.208 1.00 0.00 C ATOM 1068 C SER A 68 -3.633 29.543 6.027 1.00 0.00 C ATOM 1069 O SER A 68 -3.032 30.353 6.733 1.00 0.00 O ATOM 1070 CB SER A 68 -5.877 29.692 4.930 1.00 0.00 C ATOM 1071 OG SER A 68 -5.620 28.767 3.888 1.00 0.00 O ATOM 0 H SER A 68 -6.103 30.934 7.095 1.00 0.00 H new ATOM 0 HA SER A 68 -5.286 28.244 6.407 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.948 29.731 5.130 1.00 0.00 H new ATOM 0 HB3 SER A 68 -5.574 30.691 4.616 1.00 0.00 H new ATOM 0 HG SER A 68 -6.111 29.036 3.084 1.00 0.00 H new ATOM 1077 N SER A 69 -3.037 28.832 5.075 1.00 0.00 N ATOM 1078 CA SER A 69 -1.610 28.964 4.803 1.00 0.00 C ATOM 1079 C SER A 69 -0.815 29.054 6.101 1.00 0.00 C ATOM 1080 O SER A 69 0.123 29.842 6.214 1.00 0.00 O ATOM 1081 CB SER A 69 -1.346 30.200 3.941 1.00 0.00 C ATOM 1082 OG SER A 69 -1.682 31.388 4.637 1.00 0.00 O ATOM 0 H SER A 69 -3.520 28.159 4.479 1.00 0.00 H new ATOM 0 HA SER A 69 -1.285 28.076 4.261 1.00 0.00 H new ATOM 0 HB2 SER A 69 -0.295 30.228 3.653 1.00 0.00 H new ATOM 0 HB3 SER A 69 -1.927 30.137 3.021 1.00 0.00 H new ATOM 0 HG SER A 69 -1.941 31.167 5.556 1.00 0.00 H new ATOM 1088 N GLY A 70 -1.200 28.242 7.082 1.00 0.00 N ATOM 1089 CA GLY A 70 -0.513 28.247 8.360 1.00 0.00 C ATOM 1090 C GLY A 70 0.980 28.461 8.216 1.00 0.00 C ATOM 1091 O GLY A 70 1.639 28.933 9.143 1.00 0.00 O ATOM 0 H GLY A 70 -1.975 27.582 7.014 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -0.930 29.033 8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -0.694 27.300 8.869 1.00 0.00 H new TER 1095 GLY A 70