USER MOD reduce.3.24.130724 H: found=0, std=0, add=554, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 555 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 38 TYR OH : rot 65:sc= 1.65 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 156:sc= -0.252 (180deg=-1.3!) USER MOD Single : A 11 GLN : amide:sc= 1.76 K(o=1.8,f=-0.27) USER MOD Single : A 14 LYS NZ :NH3+ 170:sc= -0.0066 (180deg=-0.13) USER MOD Single : A 15 THR OG1 : rot 84:sc= 1.25 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= 0.28 X(o=0.28,f=0) USER MOD Single : A 22 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0201) USER MOD Single : A 34 MET CE :methyl -178:sc= -2.71 (180deg=-2.78) USER MOD Single : A 36 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0866) USER MOD Single : A 40 ASN : amide:sc= 0.157 X(o=0.16,f=-0.15) USER MOD Single : A 43 SER OG : rot 180:sc= 0.165 USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.131 USER MOD Single : A 46 THR OG1 : rot -152:sc= 1.18 USER MOD Single : A 48 SER OG : rot 75:sc= 1.16 USER MOD Single : A 54 ASN : amide:sc= 1.53 K(o=1.5,f=-4.2!) USER MOD Single : A 56 SER OG : rot 180:sc= 0.088 USER MOD Single : A 58 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0289) USER MOD Single : A 59 ASN : amide:sc= -0.286 X(o=-0.29,f=-0.024) USER MOD Single : A 60 MET CE :methyl 177:sc= -1.18 (180deg=-1.19) USER MOD Single : A 61 CYS SG : rot -18:sc= 0.232 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 169:sc= -0.0116 (180deg=-0.161) USER MOD Single : A 72 ASN : amide:sc= -0.326! X(o=-0.33!,f=-0.11) USER MOD ----------------------------------------------------------------- ATOM 15 N LEU A 6 3.228 5.797 0.466 1.00 0.00 N ATOM 16 CA LEU A 6 4.596 6.181 0.775 1.00 0.00 C ATOM 17 C LEU A 6 5.400 4.999 1.329 1.00 0.00 C ATOM 18 O LEU A 6 6.624 5.073 1.386 1.00 0.00 O ATOM 19 CB LEU A 6 4.650 7.444 1.648 1.00 0.00 C ATOM 20 CG LEU A 6 4.565 7.193 3.157 1.00 0.00 C ATOM 21 CD1 LEU A 6 4.886 8.489 3.910 1.00 0.00 C ATOM 22 CD2 LEU A 6 3.197 6.673 3.608 1.00 0.00 C ATOM 0 HA LEU A 6 5.091 6.457 -0.156 1.00 0.00 H new ATOM 0 HB2 LEU A 6 5.578 7.975 1.435 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.832 8.103 1.358 1.00 0.00 H new ATOM 0 HG LEU A 6 5.294 6.416 3.388 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.826 8.311 4.984 1.00 0.00 H new ATOM 0 HD12 LEU A 6 5.893 8.819 3.653 1.00 0.00 H new ATOM 0 HD13 LEU A 6 4.168 9.260 3.629 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.205 6.516 4.687 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.428 7.402 3.353 1.00 0.00 H new ATOM 0 HD23 LEU A 6 2.983 5.730 3.106 1.00 0.00 H new ATOM 34 N GLU A 7 4.736 3.916 1.748 1.00 0.00 N ATOM 35 CA GLU A 7 5.365 2.743 2.338 1.00 0.00 C ATOM 36 C GLU A 7 6.542 2.267 1.482 1.00 0.00 C ATOM 37 O GLU A 7 7.637 2.040 1.997 1.00 0.00 O ATOM 38 CB GLU A 7 4.338 1.619 2.550 1.00 0.00 C ATOM 39 CG GLU A 7 3.187 2.011 3.495 1.00 0.00 C ATOM 40 CD GLU A 7 1.942 2.521 2.767 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.047 3.594 2.132 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.904 1.834 2.865 1.00 0.00 O ATOM 0 H GLU A 7 3.721 3.835 1.682 1.00 0.00 H new ATOM 0 HA GLU A 7 5.757 3.023 3.316 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.923 1.330 1.585 1.00 0.00 H new ATOM 0 HB3 GLU A 7 4.847 0.744 2.953 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.915 1.146 4.100 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.538 2.782 4.181 1.00 0.00 H new ATOM 49 N GLU A 8 6.327 2.154 0.169 1.00 0.00 N ATOM 50 CA GLU A 8 7.391 1.832 -0.769 1.00 0.00 C ATOM 51 C GLU A 8 8.528 2.856 -0.682 1.00 0.00 C ATOM 52 O GLU A 8 9.695 2.479 -0.651 1.00 0.00 O ATOM 53 CB GLU A 8 6.827 1.768 -2.196 1.00 0.00 C ATOM 54 CG GLU A 8 5.846 0.602 -2.391 1.00 0.00 C ATOM 55 CD GLU A 8 6.531 -0.753 -2.240 1.00 0.00 C ATOM 56 OE1 GLU A 8 7.308 -1.099 -3.156 1.00 0.00 O ATOM 57 OE2 GLU A 8 6.276 -1.409 -1.207 1.00 0.00 O ATOM 0 H GLU A 8 5.414 2.283 -0.266 1.00 0.00 H new ATOM 0 HA GLU A 8 7.802 0.857 -0.507 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.321 2.706 -2.425 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.650 1.668 -2.904 1.00 0.00 H new ATOM 0 HG2 GLU A 8 5.038 0.683 -1.664 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.393 0.671 -3.380 1.00 0.00 H new ATOM 64 N LEU A 9 8.190 4.147 -0.654 1.00 0.00 N ATOM 65 CA LEU A 9 9.141 5.251 -0.659 1.00 0.00 C ATOM 66 C LEU A 9 10.055 5.185 0.560 1.00 0.00 C ATOM 67 O LEU A 9 11.272 5.212 0.399 1.00 0.00 O ATOM 68 CB LEU A 9 8.396 6.600 -0.722 1.00 0.00 C ATOM 69 CG LEU A 9 7.394 6.694 -1.888 1.00 0.00 C ATOM 70 CD1 LEU A 9 6.682 8.050 -1.869 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.078 6.509 -3.246 1.00 0.00 C ATOM 0 H LEU A 9 7.219 4.458 -0.626 1.00 0.00 H new ATOM 0 HA LEU A 9 9.766 5.165 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.865 6.757 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.125 7.405 -0.814 1.00 0.00 H new ATOM 0 HG LEU A 9 6.671 5.889 -1.754 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.977 8.102 -2.699 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.144 8.165 -0.928 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.417 8.849 -1.967 1.00 0.00 H new ATOM 0 HD21 LEU A 9 7.335 6.583 -4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 9 8.833 7.284 -3.382 1.00 0.00 H new ATOM 0 HD23 LEU A 9 8.553 5.529 -3.283 1.00 0.00 H new ATOM 83 N GLU A 10 9.491 5.101 1.769 1.00 0.00 N ATOM 84 CA GLU A 10 10.308 5.088 2.983 1.00 0.00 C ATOM 85 C GLU A 10 11.255 3.893 2.979 1.00 0.00 C ATOM 86 O GLU A 10 12.474 4.053 3.072 1.00 0.00 O ATOM 87 CB GLU A 10 9.484 5.138 4.287 1.00 0.00 C ATOM 88 CG GLU A 10 7.969 5.034 4.096 1.00 0.00 C ATOM 89 CD GLU A 10 7.242 4.894 5.426 1.00 0.00 C ATOM 90 OE1 GLU A 10 7.204 3.746 5.921 1.00 0.00 O ATOM 91 OE2 GLU A 10 6.741 5.928 5.916 1.00 0.00 O ATOM 0 H GLU A 10 8.486 5.042 1.931 1.00 0.00 H new ATOM 0 HA GLU A 10 10.892 6.008 2.967 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.810 4.326 4.937 1.00 0.00 H new ATOM 0 HB3 GLU A 10 9.707 6.071 4.805 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.606 5.920 3.575 1.00 0.00 H new ATOM 0 HG3 GLU A 10 7.740 4.176 3.464 1.00 0.00 H new ATOM 98 N GLN A 11 10.684 2.692 2.876 1.00 0.00 N ATOM 99 CA GLN A 11 11.459 1.464 2.885 1.00 0.00 C ATOM 100 C GLN A 11 12.525 1.529 1.793 1.00 0.00 C ATOM 101 O GLN A 11 13.701 1.296 2.070 1.00 0.00 O ATOM 102 CB GLN A 11 10.526 0.256 2.731 1.00 0.00 C ATOM 103 CG GLN A 11 9.969 -0.228 4.081 1.00 0.00 C ATOM 104 CD GLN A 11 9.441 0.878 4.995 1.00 0.00 C ATOM 105 OE1 GLN A 11 9.985 1.109 6.069 1.00 0.00 O ATOM 106 NE2 GLN A 11 8.384 1.572 4.591 1.00 0.00 N ATOM 0 H GLN A 11 9.678 2.550 2.785 1.00 0.00 H new ATOM 0 HA GLN A 11 11.974 1.347 3.838 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.698 0.521 2.073 1.00 0.00 H new ATOM 0 HB3 GLN A 11 11.067 -0.559 2.251 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.164 -0.938 3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 11 10.754 -0.770 4.608 1.00 0.00 H new ATOM 0 HE21 GLN A 11 7.948 1.361 3.693 1.00 0.00 H new ATOM 0 HE22 GLN A 11 8.007 2.316 5.178 1.00 0.00 H new ATOM 115 N PHE A 12 12.137 1.888 0.566 1.00 0.00 N ATOM 116 CA PHE A 12 13.088 2.036 -0.522 1.00 0.00 C ATOM 117 C PHE A 12 14.203 3.017 -0.157 1.00 0.00 C ATOM 118 O PHE A 12 15.367 2.674 -0.310 1.00 0.00 O ATOM 119 CB PHE A 12 12.402 2.447 -1.826 1.00 0.00 C ATOM 120 CG PHE A 12 13.408 2.741 -2.918 1.00 0.00 C ATOM 121 CD1 PHE A 12 14.229 1.707 -3.406 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.729 4.079 -3.204 1.00 0.00 C ATOM 123 CE1 PHE A 12 15.360 2.010 -4.181 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.830 4.377 -4.026 1.00 0.00 C ATOM 125 CZ PHE A 12 15.638 3.343 -4.528 1.00 0.00 C ATOM 0 H PHE A 12 11.169 2.080 0.308 1.00 0.00 H new ATOM 0 HA PHE A 12 13.541 1.058 -0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.733 1.651 -2.152 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.786 3.329 -1.651 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.988 0.678 -3.184 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.130 4.878 -2.792 1.00 0.00 H new ATOM 0 HE1 PHE A 12 16.016 1.218 -4.511 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.055 5.404 -4.272 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.470 3.572 -5.178 1.00 0.00 H new ATOM 135 N ALA A 13 13.884 4.219 0.328 1.00 0.00 N ATOM 136 CA ALA A 13 14.892 5.209 0.696 1.00 0.00 C ATOM 137 C ALA A 13 15.899 4.628 1.698 1.00 0.00 C ATOM 138 O ALA A 13 17.114 4.678 1.484 1.00 0.00 O ATOM 139 CB ALA A 13 14.211 6.470 1.240 1.00 0.00 C ATOM 0 H ALA A 13 12.924 4.530 0.475 1.00 0.00 H new ATOM 0 HA ALA A 13 15.456 5.485 -0.195 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.969 7.204 1.513 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.558 6.890 0.475 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.621 6.214 2.120 1.00 0.00 H new ATOM 145 N LYS A 14 15.400 4.043 2.791 1.00 0.00 N ATOM 146 CA LYS A 14 16.263 3.410 3.786 1.00 0.00 C ATOM 147 C LYS A 14 17.084 2.278 3.156 1.00 0.00 C ATOM 148 O LYS A 14 18.249 2.066 3.499 1.00 0.00 O ATOM 149 CB LYS A 14 15.422 2.883 4.959 1.00 0.00 C ATOM 150 CG LYS A 14 14.601 3.958 5.688 1.00 0.00 C ATOM 151 CD LYS A 14 15.470 5.011 6.390 1.00 0.00 C ATOM 152 CE LYS A 14 14.605 6.054 7.109 1.00 0.00 C ATOM 153 NZ LYS A 14 13.830 5.471 8.218 1.00 0.00 N ATOM 0 H LYS A 14 14.404 3.996 3.007 1.00 0.00 H new ATOM 0 HA LYS A 14 16.959 4.158 4.165 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.743 2.116 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 14 16.085 2.401 5.677 1.00 0.00 H new ATOM 0 HG2 LYS A 14 13.948 4.455 4.971 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.958 3.477 6.425 1.00 0.00 H new ATOM 0 HD2 LYS A 14 16.128 4.523 7.109 1.00 0.00 H new ATOM 0 HD3 LYS A 14 16.108 5.506 5.658 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.244 6.849 7.494 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.922 6.512 6.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.396 6.233 8.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.085 4.855 7.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.462 4.912 8.827 1.00 0.00 H new ATOM 167 N THR A 15 16.474 1.522 2.245 1.00 0.00 N ATOM 168 CA THR A 15 17.152 0.435 1.547 1.00 0.00 C ATOM 169 C THR A 15 18.272 1.000 0.674 1.00 0.00 C ATOM 170 O THR A 15 19.380 0.478 0.686 1.00 0.00 O ATOM 171 CB THR A 15 16.162 -0.426 0.752 1.00 0.00 C ATOM 172 OG1 THR A 15 15.187 -0.942 1.631 1.00 0.00 O ATOM 173 CG2 THR A 15 16.850 -1.615 0.075 1.00 0.00 C ATOM 0 H THR A 15 15.499 1.646 1.972 1.00 0.00 H new ATOM 0 HA THR A 15 17.606 -0.230 2.282 1.00 0.00 H new ATOM 0 HB THR A 15 15.720 0.211 -0.014 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.477 -0.278 1.758 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.112 -2.197 -0.476 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.612 -1.250 -0.613 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.316 -2.245 0.832 1.00 0.00 H new ATOM 181 N PHE A 16 18.001 2.080 -0.059 1.00 0.00 N ATOM 182 CA PHE A 16 18.956 2.761 -0.911 1.00 0.00 C ATOM 183 C PHE A 16 20.204 3.115 -0.100 1.00 0.00 C ATOM 184 O PHE A 16 21.320 2.796 -0.505 1.00 0.00 O ATOM 185 CB PHE A 16 18.290 3.978 -1.580 1.00 0.00 C ATOM 186 CG PHE A 16 19.265 4.863 -2.325 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.734 4.461 -3.584 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.792 6.020 -1.716 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.738 5.200 -4.226 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.847 6.720 -2.333 1.00 0.00 C ATOM 191 CZ PHE A 16 21.327 6.299 -3.584 1.00 0.00 C ATOM 0 H PHE A 16 17.078 2.514 -0.071 1.00 0.00 H new ATOM 0 HA PHE A 16 19.282 2.108 -1.720 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.525 3.629 -2.274 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.783 4.570 -0.818 1.00 0.00 H new ATOM 0 HD1 PHE A 16 19.322 3.583 -4.059 1.00 0.00 H new ATOM 0 HD2 PHE A 16 19.387 6.369 -0.778 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.059 4.922 -5.219 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.286 7.578 -1.846 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.149 6.821 -4.051 1.00 0.00 H new ATOM 201 N LYS A 17 20.021 3.716 1.079 1.00 0.00 N ATOM 202 CA LYS A 17 21.140 3.993 1.972 1.00 0.00 C ATOM 203 C LYS A 17 21.873 2.713 2.389 1.00 0.00 C ATOM 204 O LYS A 17 23.102 2.663 2.360 1.00 0.00 O ATOM 205 CB LYS A 17 20.652 4.821 3.165 1.00 0.00 C ATOM 206 CG LYS A 17 21.816 5.284 4.049 1.00 0.00 C ATOM 207 CD LYS A 17 21.324 6.310 5.076 1.00 0.00 C ATOM 208 CE LYS A 17 22.491 6.794 5.943 1.00 0.00 C ATOM 209 NZ LYS A 17 22.050 7.796 6.928 1.00 0.00 N ATOM 0 H LYS A 17 19.113 4.017 1.432 1.00 0.00 H new ATOM 0 HA LYS A 17 21.882 4.585 1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 17 20.101 5.690 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.957 4.228 3.760 1.00 0.00 H new ATOM 0 HG2 LYS A 17 22.256 4.428 4.561 1.00 0.00 H new ATOM 0 HG3 LYS A 17 22.599 5.723 3.431 1.00 0.00 H new ATOM 0 HD2 LYS A 17 20.866 7.157 4.564 1.00 0.00 H new ATOM 0 HD3 LYS A 17 20.554 5.864 5.706 1.00 0.00 H new ATOM 0 HE2 LYS A 17 22.938 5.945 6.461 1.00 0.00 H new ATOM 0 HE3 LYS A 17 23.265 7.223 5.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.863 8.103 7.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.646 8.616 6.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 21.329 7.378 7.550 1.00 0.00 H new ATOM 223 N GLN A 18 21.151 1.658 2.770 1.00 0.00 N ATOM 224 CA GLN A 18 21.806 0.393 3.084 1.00 0.00 C ATOM 225 C GLN A 18 22.639 -0.112 1.897 1.00 0.00 C ATOM 226 O GLN A 18 23.789 -0.504 2.080 1.00 0.00 O ATOM 227 CB GLN A 18 20.782 -0.636 3.571 1.00 0.00 C ATOM 228 CG GLN A 18 20.314 -0.276 4.986 1.00 0.00 C ATOM 229 CD GLN A 18 19.018 -0.990 5.335 1.00 0.00 C ATOM 230 OE1 GLN A 18 19.024 -2.068 5.919 1.00 0.00 O ATOM 231 NE2 GLN A 18 17.894 -0.386 4.968 1.00 0.00 N ATOM 0 H GLN A 18 20.136 1.654 2.866 1.00 0.00 H new ATOM 0 HA GLN A 18 22.508 0.556 3.902 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.929 -0.663 2.892 1.00 0.00 H new ATOM 0 HB3 GLN A 18 21.224 -1.632 3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 18 21.086 -0.545 5.707 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.170 0.802 5.061 1.00 0.00 H new ATOM 0 HE21 GLN A 18 17.932 0.511 4.484 1.00 0.00 H new ATOM 0 HE22 GLN A 18 16.993 -0.819 5.170 1.00 0.00 H new ATOM 240 N ARG A 19 22.099 -0.076 0.676 1.00 0.00 N ATOM 241 CA ARG A 19 22.851 -0.473 -0.507 1.00 0.00 C ATOM 242 C ARG A 19 24.080 0.419 -0.687 1.00 0.00 C ATOM 243 O ARG A 19 25.163 -0.087 -0.952 1.00 0.00 O ATOM 244 CB ARG A 19 21.988 -0.464 -1.774 1.00 0.00 C ATOM 245 CG ARG A 19 20.779 -1.412 -1.779 1.00 0.00 C ATOM 246 CD ARG A 19 21.117 -2.866 -1.431 1.00 0.00 C ATOM 247 NE ARG A 19 21.194 -3.066 0.023 1.00 0.00 N ATOM 248 CZ ARG A 19 21.432 -4.240 0.621 1.00 0.00 C ATOM 249 NH1 ARG A 19 21.678 -5.331 -0.112 1.00 0.00 N ATOM 250 NH2 ARG A 19 21.418 -4.316 1.954 1.00 0.00 N ATOM 0 H ARG A 19 21.143 0.225 0.485 1.00 0.00 H new ATOM 0 HA ARG A 19 23.179 -1.500 -0.349 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.627 0.552 -1.935 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.624 -0.715 -2.623 1.00 0.00 H new ATOM 0 HG2 ARG A 19 20.040 -1.043 -1.068 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.315 -1.385 -2.765 1.00 0.00 H new ATOM 0 HD2 ARG A 19 20.359 -3.528 -1.851 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.068 -3.139 -1.888 1.00 0.00 H new ATOM 0 HE ARG A 19 21.056 -2.251 0.620 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.685 -5.270 -1.130 1.00 0.00 H new ATOM 0 HH12 ARG A 19 21.859 -6.224 0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 19 21.227 -3.483 2.510 1.00 0.00 H new ATOM 0 HH22 ARG A 19 21.598 -5.207 2.416 1.00 0.00 H new ATOM 264 N ARG A 20 23.931 1.737 -0.530 1.00 0.00 N ATOM 265 CA ARG A 20 25.040 2.689 -0.575 1.00 0.00 C ATOM 266 C ARG A 20 26.173 2.227 0.347 1.00 0.00 C ATOM 267 O ARG A 20 27.334 2.173 -0.062 1.00 0.00 O ATOM 268 CB ARG A 20 24.513 4.070 -0.165 1.00 0.00 C ATOM 269 CG ARG A 20 25.478 5.236 -0.412 1.00 0.00 C ATOM 270 CD ARG A 20 25.006 6.490 0.346 1.00 0.00 C ATOM 271 NE ARG A 20 23.547 6.662 0.257 1.00 0.00 N ATOM 272 CZ ARG A 20 22.785 7.368 1.099 1.00 0.00 C ATOM 273 NH1 ARG A 20 23.306 8.228 1.979 1.00 0.00 N ATOM 274 NH2 ARG A 20 21.466 7.190 1.044 1.00 0.00 N ATOM 0 H ARG A 20 23.025 2.177 -0.366 1.00 0.00 H new ATOM 0 HA ARG A 20 25.447 2.748 -1.585 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.588 4.264 -0.707 1.00 0.00 H new ATOM 0 HB3 ARG A 20 24.262 4.045 0.895 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.481 4.962 -0.086 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.537 5.449 -1.479 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.301 6.415 1.393 1.00 0.00 H new ATOM 0 HD3 ARG A 20 25.502 7.371 -0.062 1.00 0.00 H new ATOM 0 HE ARG A 20 23.073 6.200 -0.519 1.00 0.00 H new ATOM 0 HH11 ARG A 20 24.316 8.363 2.024 1.00 0.00 H new ATOM 0 HH12 ARG A 20 22.694 8.750 2.606 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.068 6.532 0.374 1.00 0.00 H new ATOM 0 HH22 ARG A 20 20.854 7.712 1.672 1.00 0.00 H new ATOM 288 N ILE A 21 25.819 1.877 1.588 1.00 0.00 N ATOM 289 CA ILE A 21 26.765 1.356 2.564 1.00 0.00 C ATOM 290 C ILE A 21 27.382 0.047 2.052 1.00 0.00 C ATOM 291 O ILE A 21 28.604 -0.074 2.027 1.00 0.00 O ATOM 292 CB ILE A 21 26.096 1.227 3.948 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.745 2.629 4.484 1.00 0.00 C ATOM 294 CG2 ILE A 21 27.023 0.503 4.940 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.774 2.592 5.669 1.00 0.00 C ATOM 0 H ILE A 21 24.864 1.950 1.939 1.00 0.00 H new ATOM 0 HA ILE A 21 27.590 2.056 2.693 1.00 0.00 H new ATOM 0 HB ILE A 21 25.185 0.638 3.841 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.661 3.135 4.788 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.306 3.220 3.680 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.529 0.424 5.908 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.248 -0.496 4.565 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.949 1.067 5.050 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.566 3.609 6.001 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.844 2.113 5.363 1.00 0.00 H new ATOM 0 HD13 ILE A 21 25.220 2.027 6.488 1.00 0.00 H new ATOM 307 N LYS A 22 26.570 -0.926 1.623 1.00 0.00 N ATOM 308 CA LYS A 22 27.077 -2.202 1.114 1.00 0.00 C ATOM 309 C LYS A 22 28.052 -2.014 -0.057 1.00 0.00 C ATOM 310 O LYS A 22 29.077 -2.687 -0.121 1.00 0.00 O ATOM 311 CB LYS A 22 25.921 -3.125 0.703 1.00 0.00 C ATOM 312 CG LYS A 22 25.071 -3.633 1.878 1.00 0.00 C ATOM 313 CD LYS A 22 25.839 -4.456 2.926 1.00 0.00 C ATOM 314 CE LYS A 22 26.652 -5.617 2.337 1.00 0.00 C ATOM 315 NZ LYS A 22 25.816 -6.525 1.532 1.00 0.00 N ATOM 0 H LYS A 22 25.553 -0.851 1.619 1.00 0.00 H new ATOM 0 HA LYS A 22 27.630 -2.670 1.928 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.275 -2.591 0.006 1.00 0.00 H new ATOM 0 HB3 LYS A 22 26.328 -3.982 0.167 1.00 0.00 H new ATOM 0 HG2 LYS A 22 24.614 -2.776 2.374 1.00 0.00 H new ATOM 0 HG3 LYS A 22 24.259 -4.243 1.483 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.513 -3.794 3.470 1.00 0.00 H new ATOM 0 HD3 LYS A 22 25.129 -4.854 3.651 1.00 0.00 H new ATOM 0 HE2 LYS A 22 27.455 -5.219 1.717 1.00 0.00 H new ATOM 0 HE3 LYS A 22 27.121 -6.178 3.145 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 26.389 -7.330 1.210 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 25.025 -6.873 2.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 25.443 -6.013 0.707 1.00 0.00 H new ATOM 329 N LEU A 23 27.746 -1.095 -0.976 1.00 0.00 N ATOM 330 CA LEU A 23 28.614 -0.751 -2.097 1.00 0.00 C ATOM 331 C LEU A 23 29.882 -0.026 -1.632 1.00 0.00 C ATOM 332 O LEU A 23 30.796 0.172 -2.431 1.00 0.00 O ATOM 333 CB LEU A 23 27.851 0.135 -3.097 1.00 0.00 C ATOM 334 CG LEU A 23 26.687 -0.562 -3.820 1.00 0.00 C ATOM 335 CD1 LEU A 23 25.835 0.496 -4.532 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.188 -1.578 -4.853 1.00 0.00 C ATOM 0 H LEU A 23 26.876 -0.563 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 23 28.916 -1.681 -2.579 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.462 1.005 -2.567 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.554 0.505 -3.843 1.00 0.00 H new ATOM 0 HG LEU A 23 26.098 -1.098 -3.076 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.007 0.010 -5.048 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.442 1.201 -3.799 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.449 1.031 -5.256 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.336 -2.049 -5.343 1.00 0.00 H new ATOM 0 HD22 LEU A 23 27.798 -1.068 -5.598 1.00 0.00 H new ATOM 0 HD23 LEU A 23 27.786 -2.340 -4.353 1.00 0.00 H new ATOM 348 N GLY A 24 29.940 0.417 -0.373 1.00 0.00 N ATOM 349 CA GLY A 24 31.028 1.233 0.135 1.00 0.00 C ATOM 350 C GLY A 24 31.075 2.577 -0.586 1.00 0.00 C ATOM 351 O GLY A 24 32.150 3.139 -0.777 1.00 0.00 O ATOM 0 H GLY A 24 29.223 0.213 0.323 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.900 1.393 1.206 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.975 0.710 0.002 1.00 0.00 H new ATOM 355 N PHE A 25 29.910 3.109 -0.976 1.00 0.00 N ATOM 356 CA PHE A 25 29.852 4.388 -1.667 1.00 0.00 C ATOM 357 C PHE A 25 29.989 5.488 -0.629 1.00 0.00 C ATOM 358 O PHE A 25 29.142 5.640 0.249 1.00 0.00 O ATOM 359 CB PHE A 25 28.583 4.510 -2.517 1.00 0.00 C ATOM 360 CG PHE A 25 28.812 4.149 -3.974 1.00 0.00 C ATOM 361 CD1 PHE A 25 29.611 3.037 -4.302 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.408 5.034 -4.990 1.00 0.00 C ATOM 363 CE1 PHE A 25 29.918 2.756 -5.643 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.761 4.779 -6.328 1.00 0.00 C ATOM 365 CZ PHE A 25 29.488 3.625 -6.659 1.00 0.00 C ATOM 0 H PHE A 25 29.002 2.670 -0.822 1.00 0.00 H new ATOM 0 HA PHE A 25 30.674 4.476 -2.378 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.811 3.861 -2.104 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.207 5.531 -2.455 1.00 0.00 H new ATOM 0 HD1 PHE A 25 29.989 2.397 -3.519 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.826 5.910 -4.743 1.00 0.00 H new ATOM 0 HE1 PHE A 25 30.485 1.871 -5.893 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.472 5.474 -7.103 1.00 0.00 H new ATOM 0 HZ PHE A 25 29.716 3.406 -7.692 1.00 0.00 H new ATOM 413 N ASP A 29 30.337 9.827 -3.444 1.00 0.00 N ATOM 414 CA ASP A 29 30.374 8.860 -4.535 1.00 0.00 C ATOM 415 C ASP A 29 29.008 8.760 -5.233 1.00 0.00 C ATOM 416 O ASP A 29 28.938 8.703 -6.460 1.00 0.00 O ATOM 417 CB ASP A 29 30.835 7.502 -3.986 1.00 0.00 C ATOM 418 CG ASP A 29 31.321 6.530 -5.060 1.00 0.00 C ATOM 419 OD1 ASP A 29 31.183 6.854 -6.259 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.853 5.479 -4.645 1.00 0.00 O ATOM 0 HA ASP A 29 31.086 9.192 -5.291 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.639 7.666 -3.268 1.00 0.00 H new ATOM 0 HB3 ASP A 29 30.010 7.043 -3.441 1.00 0.00 H new ATOM 425 N VAL A 30 27.911 8.783 -4.461 1.00 0.00 N ATOM 426 CA VAL A 30 26.573 8.848 -5.040 1.00 0.00 C ATOM 427 C VAL A 30 26.476 10.104 -5.896 1.00 0.00 C ATOM 428 O VAL A 30 26.120 10.010 -7.064 1.00 0.00 O ATOM 429 CB VAL A 30 25.467 8.795 -3.969 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.076 8.956 -4.597 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.502 7.455 -3.226 1.00 0.00 C ATOM 0 H VAL A 30 27.930 8.758 -3.441 1.00 0.00 H new ATOM 0 HA VAL A 30 26.414 7.969 -5.665 1.00 0.00 H new ATOM 0 HB VAL A 30 25.652 9.616 -3.277 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.317 8.914 -3.816 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.017 9.916 -5.109 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.905 8.152 -5.313 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.714 7.436 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.347 6.642 -3.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.470 7.333 -2.741 1.00 0.00 H new ATOM 441 N GLY A 31 26.823 11.264 -5.337 1.00 0.00 N ATOM 442 CA GLY A 31 26.883 12.522 -6.069 1.00 0.00 C ATOM 443 C GLY A 31 27.625 12.373 -7.400 1.00 0.00 C ATOM 444 O GLY A 31 27.112 12.774 -8.440 1.00 0.00 O ATOM 0 H GLY A 31 27.072 11.354 -4.352 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.871 12.882 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.381 13.274 -5.458 1.00 0.00 H new ATOM 448 N LEU A 32 28.824 11.789 -7.380 1.00 0.00 N ATOM 449 CA LEU A 32 29.644 11.596 -8.570 1.00 0.00 C ATOM 450 C LEU A 32 28.915 10.748 -9.608 1.00 0.00 C ATOM 451 O LEU A 32 28.725 11.159 -10.752 1.00 0.00 O ATOM 452 CB LEU A 32 30.968 10.940 -8.159 1.00 0.00 C ATOM 453 CG LEU A 32 32.017 10.868 -9.281 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.510 12.260 -9.695 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.208 10.036 -8.795 1.00 0.00 C ATOM 0 H LEU A 32 29.255 11.434 -6.526 1.00 0.00 H new ATOM 0 HA LEU A 32 29.845 12.564 -9.029 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.389 11.494 -7.320 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.764 9.930 -7.804 1.00 0.00 H new ATOM 0 HG LEU A 32 31.550 10.407 -10.151 1.00 0.00 H new ATOM 0 HD11 LEU A 32 33.250 12.163 -10.490 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.668 12.852 -10.053 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.963 12.756 -8.836 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.958 9.979 -9.584 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.644 10.505 -7.913 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.871 9.031 -8.542 1.00 0.00 H new ATOM 467 N ALA A 33 28.523 9.540 -9.209 1.00 0.00 N ATOM 468 CA ALA A 33 27.877 8.595 -10.108 1.00 0.00 C ATOM 469 C ALA A 33 26.561 9.164 -10.655 1.00 0.00 C ATOM 470 O ALA A 33 26.288 9.082 -11.852 1.00 0.00 O ATOM 471 CB ALA A 33 27.697 7.264 -9.380 1.00 0.00 C ATOM 0 H ALA A 33 28.645 9.193 -8.258 1.00 0.00 H new ATOM 0 HA ALA A 33 28.506 8.419 -10.981 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.214 6.548 -10.045 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.671 6.879 -9.079 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.077 7.414 -8.496 1.00 0.00 H new ATOM 477 N MET A 34 25.748 9.773 -9.789 1.00 0.00 N ATOM 478 CA MET A 34 24.568 10.523 -10.200 1.00 0.00 C ATOM 479 C MET A 34 24.957 11.599 -11.204 1.00 0.00 C ATOM 480 O MET A 34 24.277 11.770 -12.205 1.00 0.00 O ATOM 481 CB MET A 34 23.884 11.172 -8.990 1.00 0.00 C ATOM 482 CG MET A 34 23.099 10.152 -8.156 1.00 0.00 C ATOM 483 SD MET A 34 21.769 9.247 -8.990 1.00 0.00 S ATOM 484 CE MET A 34 20.868 10.592 -9.765 1.00 0.00 C ATOM 0 H MET A 34 25.894 9.757 -8.780 1.00 0.00 H new ATOM 0 HA MET A 34 23.868 9.828 -10.664 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.636 11.651 -8.363 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.209 11.956 -9.333 1.00 0.00 H new ATOM 0 HG2 MET A 34 23.807 9.423 -7.760 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.668 10.674 -7.302 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.998 10.194 -10.287 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.541 11.298 -9.002 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.517 11.102 -10.477 1.00 0.00 H new ATOM 494 N GLY A 35 26.048 12.315 -10.938 1.00 0.00 N ATOM 495 CA GLY A 35 26.689 13.228 -11.873 1.00 0.00 C ATOM 496 C GLY A 35 26.808 12.608 -13.257 1.00 0.00 C ATOM 497 O GLY A 35 26.294 13.159 -14.226 1.00 0.00 O ATOM 0 H GLY A 35 26.523 12.272 -10.036 1.00 0.00 H new ATOM 0 HA2 GLY A 35 26.114 14.152 -11.934 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.680 13.493 -11.504 1.00 0.00 H new ATOM 501 N LYS A 36 27.476 11.457 -13.339 1.00 0.00 N ATOM 502 CA LYS A 36 27.630 10.754 -14.606 1.00 0.00 C ATOM 503 C LYS A 36 26.269 10.425 -15.242 1.00 0.00 C ATOM 504 O LYS A 36 26.073 10.678 -16.429 1.00 0.00 O ATOM 505 CB LYS A 36 28.484 9.484 -14.439 1.00 0.00 C ATOM 506 CG LYS A 36 29.998 9.739 -14.498 1.00 0.00 C ATOM 507 CD LYS A 36 30.529 10.541 -13.304 1.00 0.00 C ATOM 508 CE LYS A 36 32.045 10.752 -13.387 1.00 0.00 C ATOM 509 NZ LYS A 36 32.791 9.489 -13.247 1.00 0.00 N ATOM 0 H LYS A 36 27.917 10.995 -12.543 1.00 0.00 H new ATOM 0 HA LYS A 36 28.155 11.424 -15.286 1.00 0.00 H new ATOM 0 HB2 LYS A 36 28.241 9.018 -13.484 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.215 8.772 -15.219 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.518 8.782 -14.543 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.233 10.274 -15.418 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.029 11.509 -13.265 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.285 10.019 -12.379 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.294 11.215 -14.342 1.00 0.00 H new ATOM 0 HE3 LYS A 36 32.357 11.445 -12.606 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.807 9.694 -13.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.462 8.984 -12.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.631 8.897 -14.087 1.00 0.00 H new ATOM 523 N LEU A 37 25.345 9.826 -14.485 1.00 0.00 N ATOM 524 CA LEU A 37 24.121 9.270 -15.064 1.00 0.00 C ATOM 525 C LEU A 37 22.986 10.287 -15.285 1.00 0.00 C ATOM 526 O LEU A 37 22.122 10.041 -16.123 1.00 0.00 O ATOM 527 CB LEU A 37 23.636 8.069 -14.236 1.00 0.00 C ATOM 528 CG LEU A 37 24.661 6.935 -14.068 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.964 5.730 -13.426 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.297 6.488 -15.389 1.00 0.00 C ATOM 0 H LEU A 37 25.422 9.714 -13.474 1.00 0.00 H new ATOM 0 HA LEU A 37 24.395 8.942 -16.066 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.344 8.423 -13.247 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.741 7.662 -14.706 1.00 0.00 H new ATOM 0 HG LEU A 37 25.464 7.322 -13.440 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.681 4.919 -13.302 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.567 6.016 -12.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 23.148 5.398 -14.067 1.00 0.00 H new ATOM 0 HD21 LEU A 37 26.010 5.686 -15.197 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.520 6.129 -16.064 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.814 7.331 -15.847 1.00 0.00 H new ATOM 542 N TYR A 38 22.939 11.388 -14.526 1.00 0.00 N ATOM 543 CA TYR A 38 21.851 12.371 -14.553 1.00 0.00 C ATOM 544 C TYR A 38 22.383 13.789 -14.304 1.00 0.00 C ATOM 545 O TYR A 38 22.198 14.686 -15.123 1.00 0.00 O ATOM 546 CB TYR A 38 20.786 12.066 -13.477 1.00 0.00 C ATOM 547 CG TYR A 38 20.136 10.695 -13.498 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.819 9.608 -12.924 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.772 10.556 -13.829 1.00 0.00 C ATOM 550 CE1 TYR A 38 20.184 8.365 -12.779 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.116 9.332 -13.616 1.00 0.00 C ATOM 552 CZ TYR A 38 18.839 8.225 -13.148 1.00 0.00 C ATOM 553 OH TYR A 38 18.192 7.049 -12.941 1.00 0.00 O ATOM 0 H TYR A 38 23.674 11.625 -13.860 1.00 0.00 H new ATOM 0 HA TYR A 38 21.401 12.308 -15.544 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.248 12.203 -12.499 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.997 12.813 -13.565 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.839 9.731 -12.592 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.231 11.392 -14.247 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.729 7.520 -12.385 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.058 9.244 -13.812 1.00 0.00 H new ATOM 0 HH TYR A 38 18.127 6.876 -11.979 1.00 0.00 H new ATOM 563 N GLY A 39 22.978 13.998 -13.129 1.00 0.00 N ATOM 564 CA GLY A 39 23.361 15.288 -12.583 1.00 0.00 C ATOM 565 C GLY A 39 23.679 15.088 -11.102 1.00 0.00 C ATOM 566 O GLY A 39 22.963 14.367 -10.406 1.00 0.00 O ATOM 0 H GLY A 39 23.216 13.227 -12.504 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.228 15.685 -13.111 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.555 16.011 -12.707 1.00 0.00 H new ATOM 570 N ASN A 40 24.753 15.703 -10.601 1.00 0.00 N ATOM 571 CA ASN A 40 25.316 15.394 -9.284 1.00 0.00 C ATOM 572 C ASN A 40 24.547 16.008 -8.113 1.00 0.00 C ATOM 573 O ASN A 40 25.148 16.374 -7.101 1.00 0.00 O ATOM 574 CB ASN A 40 26.797 15.801 -9.248 1.00 0.00 C ATOM 575 CG ASN A 40 26.997 17.301 -9.448 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.323 17.740 -10.546 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.786 18.101 -8.409 1.00 0.00 N ATOM 0 H ASN A 40 25.260 16.434 -11.101 1.00 0.00 H new ATOM 0 HA ASN A 40 25.221 14.317 -9.149 1.00 0.00 H new ATOM 0 HB2 ASN A 40 27.229 15.505 -8.292 1.00 0.00 H new ATOM 0 HB3 ASN A 40 27.338 15.259 -10.024 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.894 19.110 -8.512 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.516 17.706 -7.508 1.00 0.00 H new ATOM 584 N ASP A 41 23.218 16.084 -8.190 1.00 0.00 N ATOM 585 CA ASP A 41 22.418 16.792 -7.190 1.00 0.00 C ATOM 586 C ASP A 41 22.138 15.908 -5.969 1.00 0.00 C ATOM 587 O ASP A 41 21.039 15.926 -5.421 1.00 0.00 O ATOM 588 CB ASP A 41 21.137 17.330 -7.846 1.00 0.00 C ATOM 589 CG ASP A 41 20.316 18.214 -6.908 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.942 19.027 -6.192 1.00 0.00 O ATOM 591 OD2 ASP A 41 19.074 18.072 -6.935 1.00 0.00 O ATOM 0 H ASP A 41 22.670 15.661 -8.939 1.00 0.00 H new ATOM 0 HA ASP A 41 22.982 17.645 -6.813 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.402 17.901 -8.736 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.524 16.491 -8.176 1.00 0.00 H new ATOM 596 N PHE A 42 23.129 15.110 -5.557 1.00 0.00 N ATOM 597 CA PHE A 42 22.976 14.052 -4.564 1.00 0.00 C ATOM 598 C PHE A 42 24.303 13.818 -3.856 1.00 0.00 C ATOM 599 O PHE A 42 24.699 12.678 -3.620 1.00 0.00 O ATOM 600 CB PHE A 42 22.468 12.757 -5.218 1.00 0.00 C ATOM 601 CG PHE A 42 21.256 12.933 -6.119 1.00 0.00 C ATOM 602 CD1 PHE A 42 21.441 13.342 -7.454 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.959 12.917 -5.575 1.00 0.00 C ATOM 604 CE1 PHE A 42 20.341 13.732 -8.238 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.858 13.302 -6.359 1.00 0.00 C ATOM 606 CZ PHE A 42 19.046 13.698 -7.694 1.00 0.00 C ATOM 0 H PHE A 42 24.081 15.187 -5.916 1.00 0.00 H new ATOM 0 HA PHE A 42 22.234 14.363 -3.828 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.277 12.319 -5.802 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.219 12.043 -4.433 1.00 0.00 H new ATOM 0 HD1 PHE A 42 22.434 13.356 -7.878 1.00 0.00 H new ATOM 0 HD2 PHE A 42 19.809 12.608 -4.551 1.00 0.00 H new ATOM 0 HE1 PHE A 42 20.491 14.057 -9.257 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.865 13.293 -5.934 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.197 13.976 -8.301 1.00 0.00 H new ATOM 616 N SER A 43 24.987 14.909 -3.511 1.00 0.00 N ATOM 617 CA SER A 43 26.157 14.885 -2.657 1.00 0.00 C ATOM 618 C SER A 43 25.773 14.211 -1.343 1.00 0.00 C ATOM 619 O SER A 43 26.303 13.162 -0.983 1.00 0.00 O ATOM 620 CB SER A 43 26.580 16.340 -2.432 1.00 0.00 C ATOM 621 OG SER A 43 25.420 17.118 -2.162 1.00 0.00 O ATOM 0 H SER A 43 24.733 15.845 -3.826 1.00 0.00 H new ATOM 0 HA SER A 43 26.985 14.330 -3.099 1.00 0.00 H new ATOM 0 HB2 SER A 43 27.280 16.405 -1.599 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.095 16.724 -3.313 1.00 0.00 H new ATOM 0 HG SER A 43 25.679 18.052 -2.015 1.00 0.00 H new ATOM 627 N GLN A 44 24.826 14.839 -0.644 1.00 0.00 N ATOM 628 CA GLN A 44 24.289 14.368 0.622 1.00 0.00 C ATOM 629 C GLN A 44 22.872 14.893 0.848 1.00 0.00 C ATOM 630 O GLN A 44 21.993 14.126 1.230 1.00 0.00 O ATOM 631 CB GLN A 44 25.243 14.768 1.756 1.00 0.00 C ATOM 632 CG GLN A 44 24.804 14.191 3.107 1.00 0.00 C ATOM 633 CD GLN A 44 25.883 14.380 4.167 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.538 13.426 4.572 1.00 0.00 O ATOM 635 NE2 GLN A 44 26.090 15.614 4.615 1.00 0.00 N ATOM 0 H GLN A 44 24.403 15.713 -0.957 1.00 0.00 H new ATOM 0 HA GLN A 44 24.215 13.281 0.604 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.249 14.420 1.523 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.290 15.855 1.824 1.00 0.00 H new ATOM 0 HG2 GLN A 44 23.884 14.677 3.431 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.582 13.130 2.997 1.00 0.00 H new ATOM 0 HE21 GLN A 44 25.528 16.387 4.258 1.00 0.00 H new ATOM 0 HE22 GLN A 44 26.811 15.788 5.316 1.00 0.00 H new ATOM 644 N THR A 45 22.648 16.193 0.643 1.00 0.00 N ATOM 645 CA THR A 45 21.434 16.900 1.022 1.00 0.00 C ATOM 646 C THR A 45 20.135 16.190 0.612 1.00 0.00 C ATOM 647 O THR A 45 19.378 15.747 1.473 1.00 0.00 O ATOM 648 CB THR A 45 21.536 18.330 0.466 1.00 0.00 C ATOM 649 OG1 THR A 45 22.886 18.750 0.566 1.00 0.00 O ATOM 650 CG2 THR A 45 20.636 19.297 1.242 1.00 0.00 C ATOM 0 H THR A 45 23.334 16.799 0.193 1.00 0.00 H new ATOM 0 HA THR A 45 21.367 16.922 2.110 1.00 0.00 H new ATOM 0 HB THR A 45 21.205 18.333 -0.573 1.00 0.00 H new ATOM 0 HG1 THR A 45 22.972 19.661 0.214 1.00 0.00 H new ATOM 0 HG21 THR A 45 20.732 20.299 0.823 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.599 18.970 1.166 1.00 0.00 H new ATOM 0 HG23 THR A 45 20.936 19.311 2.290 1.00 0.00 H new ATOM 658 N THR A 46 19.859 16.086 -0.689 1.00 0.00 N ATOM 659 CA THR A 46 18.618 15.531 -1.219 1.00 0.00 C ATOM 660 C THR A 46 18.407 14.110 -0.699 1.00 0.00 C ATOM 661 O THR A 46 17.346 13.761 -0.191 1.00 0.00 O ATOM 662 CB THR A 46 18.725 15.537 -2.747 1.00 0.00 C ATOM 663 OG1 THR A 46 20.006 15.039 -3.077 1.00 0.00 O ATOM 664 CG2 THR A 46 18.585 16.956 -3.306 1.00 0.00 C ATOM 0 H THR A 46 20.506 16.392 -1.416 1.00 0.00 H new ATOM 0 HA THR A 46 17.764 16.127 -0.898 1.00 0.00 H new ATOM 0 HB THR A 46 17.929 14.927 -3.174 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.291 15.414 -3.936 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.665 16.929 -4.393 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.614 17.364 -3.024 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.376 17.587 -2.900 1.00 0.00 H new ATOM 672 N ILE A 47 19.448 13.293 -0.820 1.00 0.00 N ATOM 673 CA ILE A 47 19.488 11.925 -0.333 1.00 0.00 C ATOM 674 C ILE A 47 19.124 11.863 1.161 1.00 0.00 C ATOM 675 O ILE A 47 18.269 11.080 1.570 1.00 0.00 O ATOM 676 CB ILE A 47 20.871 11.341 -0.677 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.096 11.228 -2.190 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.107 9.996 0.006 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.066 10.384 -2.945 1.00 0.00 C ATOM 0 H ILE A 47 20.315 13.578 -1.276 1.00 0.00 H new ATOM 0 HA ILE A 47 18.736 11.306 -0.822 1.00 0.00 H new ATOM 0 HB ILE A 47 21.604 12.048 -0.289 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.101 12.231 -2.616 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.085 10.804 -2.363 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.094 9.619 -0.263 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.049 10.122 1.087 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.347 9.285 -0.318 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.316 10.368 -4.006 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.074 9.366 -2.555 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.074 10.816 -2.812 1.00 0.00 H new ATOM 691 N SER A 48 19.723 12.724 1.984 1.00 0.00 N ATOM 692 CA SER A 48 19.383 12.802 3.398 1.00 0.00 C ATOM 693 C SER A 48 17.904 13.159 3.565 1.00 0.00 C ATOM 694 O SER A 48 17.182 12.503 4.311 1.00 0.00 O ATOM 695 CB SER A 48 20.291 13.808 4.109 1.00 0.00 C ATOM 696 OG SER A 48 21.644 13.465 3.890 1.00 0.00 O ATOM 0 H SER A 48 20.449 13.378 1.691 1.00 0.00 H new ATOM 0 HA SER A 48 19.545 11.828 3.860 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.096 14.814 3.738 1.00 0.00 H new ATOM 0 HB3 SER A 48 20.076 13.815 5.178 1.00 0.00 H new ATOM 0 HG SER A 48 21.898 13.703 2.974 1.00 0.00 H new ATOM 702 N ARG A 49 17.442 14.185 2.845 1.00 0.00 N ATOM 703 CA ARG A 49 16.047 14.606 2.861 1.00 0.00 C ATOM 704 C ARG A 49 15.115 13.468 2.413 1.00 0.00 C ATOM 705 O ARG A 49 13.982 13.392 2.884 1.00 0.00 O ATOM 706 CB ARG A 49 15.866 15.873 2.012 1.00 0.00 C ATOM 707 CG ARG A 49 16.641 17.087 2.550 1.00 0.00 C ATOM 708 CD ARG A 49 15.960 17.794 3.728 1.00 0.00 C ATOM 709 NE ARG A 49 16.834 18.855 4.245 1.00 0.00 N ATOM 710 CZ ARG A 49 16.547 19.680 5.262 1.00 0.00 C ATOM 711 NH1 ARG A 49 15.356 19.643 5.869 1.00 0.00 N ATOM 712 NH2 ARG A 49 17.472 20.554 5.674 1.00 0.00 N ATOM 0 H ARG A 49 18.033 14.747 2.232 1.00 0.00 H new ATOM 0 HA ARG A 49 15.767 14.851 3.886 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.191 15.667 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.806 16.121 1.965 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.634 16.762 2.860 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.779 17.804 1.741 1.00 0.00 H new ATOM 0 HD2 ARG A 49 15.008 18.218 3.408 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.740 17.075 4.517 1.00 0.00 H new ATOM 0 HE ARG A 49 17.739 18.975 3.790 1.00 0.00 H new ATOM 0 HH11 ARG A 49 14.646 18.979 5.560 1.00 0.00 H new ATOM 0 HH12 ARG A 49 15.157 20.279 6.641 1.00 0.00 H new ATOM 0 HH21 ARG A 49 18.383 20.587 5.215 1.00 0.00 H new ATOM 0 HH22 ARG A 49 17.267 21.187 6.447 1.00 0.00 H new ATOM 726 N PHE A 50 15.576 12.581 1.524 1.00 0.00 N ATOM 727 CA PHE A 50 14.843 11.396 1.097 1.00 0.00 C ATOM 728 C PHE A 50 14.678 10.434 2.267 1.00 0.00 C ATOM 729 O PHE A 50 13.555 10.109 2.636 1.00 0.00 O ATOM 730 CB PHE A 50 15.575 10.707 -0.060 1.00 0.00 C ATOM 731 CG PHE A 50 14.853 9.592 -0.803 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.470 9.646 -1.073 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.621 8.545 -1.345 1.00 0.00 C ATOM 734 CE1 PHE A 50 12.885 8.713 -1.952 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.025 7.583 -2.175 1.00 0.00 C ATOM 736 CZ PHE A 50 13.672 7.705 -2.531 1.00 0.00 C ATOM 0 H PHE A 50 16.487 12.674 1.076 1.00 0.00 H new ATOM 0 HA PHE A 50 13.855 11.699 0.750 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.844 11.473 -0.788 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.507 10.298 0.331 1.00 0.00 H new ATOM 0 HD1 PHE A 50 12.858 10.403 -0.605 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.676 8.481 -1.121 1.00 0.00 H new ATOM 0 HE1 PHE A 50 11.831 8.773 -2.180 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.607 6.749 -2.540 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.238 7.025 -3.249 1.00 0.00 H new ATOM 746 N GLU A 51 15.787 9.999 2.876 1.00 0.00 N ATOM 747 CA GLU A 51 15.706 9.098 4.029 1.00 0.00 C ATOM 748 C GLU A 51 15.001 9.748 5.231 1.00 0.00 C ATOM 749 O GLU A 51 14.416 9.038 6.043 1.00 0.00 O ATOM 750 CB GLU A 51 17.072 8.520 4.423 1.00 0.00 C ATOM 751 CG GLU A 51 17.540 7.394 3.485 1.00 0.00 C ATOM 752 CD GLU A 51 18.220 7.933 2.234 1.00 0.00 C ATOM 753 OE1 GLU A 51 19.372 8.398 2.383 1.00 0.00 O ATOM 754 OE2 GLU A 51 17.597 7.859 1.154 1.00 0.00 O ATOM 0 H GLU A 51 16.735 10.251 2.596 1.00 0.00 H new ATOM 0 HA GLU A 51 15.088 8.259 3.709 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.813 9.319 4.421 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.019 8.138 5.442 1.00 0.00 H new ATOM 0 HG2 GLU A 51 18.231 6.742 4.019 1.00 0.00 H new ATOM 0 HG3 GLU A 51 16.684 6.784 3.197 1.00 0.00 H new ATOM 761 N ALA A 52 15.031 11.079 5.349 1.00 0.00 N ATOM 762 CA ALA A 52 14.248 11.811 6.344 1.00 0.00 C ATOM 763 C ALA A 52 12.787 12.015 5.907 1.00 0.00 C ATOM 764 O ALA A 52 11.982 12.525 6.680 1.00 0.00 O ATOM 765 CB ALA A 52 14.916 13.161 6.618 1.00 0.00 C ATOM 0 H ALA A 52 15.602 11.679 4.754 1.00 0.00 H new ATOM 0 HA ALA A 52 14.222 11.214 7.256 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.336 13.710 7.359 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.925 12.998 6.996 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.963 13.738 5.694 1.00 0.00 H new ATOM 771 N LEU A 53 12.452 11.649 4.666 1.00 0.00 N ATOM 772 CA LEU A 53 11.162 11.841 4.021 1.00 0.00 C ATOM 773 C LEU A 53 10.621 13.263 4.174 1.00 0.00 C ATOM 774 O LEU A 53 9.451 13.483 4.474 1.00 0.00 O ATOM 775 CB LEU A 53 10.159 10.732 4.386 1.00 0.00 C ATOM 776 CG LEU A 53 10.470 9.418 3.642 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.407 8.546 4.483 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.166 8.658 3.362 1.00 0.00 C ATOM 0 H LEU A 53 13.120 11.182 4.052 1.00 0.00 H new ATOM 0 HA LEU A 53 11.325 11.735 2.949 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.185 10.557 5.461 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.149 11.059 4.141 1.00 0.00 H new ATOM 0 HG LEU A 53 10.959 9.654 2.697 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.620 7.620 3.948 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.338 9.083 4.665 1.00 0.00 H new ATOM 0 HD13 LEU A 53 10.930 8.313 5.435 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.391 7.730 2.836 1.00 0.00 H new ATOM 0 HD22 LEU A 53 8.669 8.429 4.305 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.511 9.274 2.746 1.00 0.00 H new ATOM 790 N ASN A 54 11.477 14.238 3.870 1.00 0.00 N ATOM 791 CA ASN A 54 11.118 15.649 3.847 1.00 0.00 C ATOM 792 C ASN A 54 10.463 16.019 2.512 1.00 0.00 C ATOM 793 O ASN A 54 9.630 16.919 2.456 1.00 0.00 O ATOM 794 CB ASN A 54 12.387 16.480 4.071 1.00 0.00 C ATOM 795 CG ASN A 54 12.151 17.914 4.547 1.00 0.00 C ATOM 796 OD1 ASN A 54 12.979 18.445 5.279 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.068 18.579 4.154 1.00 0.00 N ATOM 0 H ASN A 54 12.453 14.064 3.630 1.00 0.00 H new ATOM 0 HA ASN A 54 10.397 15.856 4.638 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.012 15.969 4.804 1.00 0.00 H new ATOM 0 HB3 ASN A 54 12.950 16.512 3.138 1.00 0.00 H new ATOM 0 HD21 ASN A 54 10.920 19.540 4.462 1.00 0.00 H new ATOM 0 HD22 ASN A 54 10.385 18.128 3.545 1.00 0.00 H new ATOM 804 N LEU A 55 10.864 15.363 1.421 1.00 0.00 N ATOM 805 CA LEU A 55 10.509 15.757 0.057 1.00 0.00 C ATOM 806 C LEU A 55 9.105 15.275 -0.349 1.00 0.00 C ATOM 807 O LEU A 55 8.933 14.726 -1.438 1.00 0.00 O ATOM 808 CB LEU A 55 11.580 15.234 -0.914 1.00 0.00 C ATOM 809 CG LEU A 55 13.031 15.559 -0.518 1.00 0.00 C ATOM 810 CD1 LEU A 55 13.989 14.914 -1.526 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.280 17.072 -0.469 1.00 0.00 C ATOM 0 H LEU A 55 11.453 14.531 1.461 1.00 0.00 H new ATOM 0 HA LEU A 55 10.477 16.846 0.014 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.476 14.152 -0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.387 15.650 -1.903 1.00 0.00 H new ATOM 0 HG LEU A 55 13.207 15.158 0.480 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.018 15.143 -1.248 1.00 0.00 H new ATOM 0 HD12 LEU A 55 13.844 13.834 -1.525 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.787 15.306 -2.523 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.315 17.261 -0.186 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.087 17.504 -1.451 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.614 17.527 0.265 1.00 0.00 H new ATOM 823 N SER A 56 8.122 15.471 0.535 1.00 0.00 N ATOM 824 CA SER A 56 6.756 14.957 0.527 1.00 0.00 C ATOM 825 C SER A 56 6.195 14.520 -0.833 1.00 0.00 C ATOM 826 O SER A 56 5.469 15.276 -1.477 1.00 0.00 O ATOM 827 CB SER A 56 5.868 16.020 1.181 1.00 0.00 C ATOM 828 OG SER A 56 6.484 16.430 2.389 1.00 0.00 O ATOM 0 H SER A 56 8.284 16.054 1.356 1.00 0.00 H new ATOM 0 HA SER A 56 6.768 14.021 1.085 1.00 0.00 H new ATOM 0 HB2 SER A 56 5.739 16.871 0.512 1.00 0.00 H new ATOM 0 HB3 SER A 56 4.875 15.616 1.379 1.00 0.00 H new ATOM 0 HG SER A 56 5.931 17.113 2.823 1.00 0.00 H new ATOM 834 N PHE A 57 6.472 13.272 -1.225 1.00 0.00 N ATOM 835 CA PHE A 57 5.909 12.556 -2.368 1.00 0.00 C ATOM 836 C PHE A 57 6.360 13.101 -3.731 1.00 0.00 C ATOM 837 O PHE A 57 6.900 12.359 -4.552 1.00 0.00 O ATOM 838 CB PHE A 57 4.380 12.451 -2.268 1.00 0.00 C ATOM 839 CG PHE A 57 3.813 11.370 -3.166 1.00 0.00 C ATOM 840 CD1 PHE A 57 3.764 10.039 -2.708 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.479 11.660 -4.502 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.391 9.003 -3.582 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.101 10.624 -5.375 1.00 0.00 C ATOM 844 CZ PHE A 57 3.063 9.295 -4.917 1.00 0.00 C ATOM 0 H PHE A 57 7.143 12.698 -0.714 1.00 0.00 H new ATOM 0 HA PHE A 57 6.320 11.548 -2.316 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.100 12.245 -1.235 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.935 13.410 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.014 9.813 -1.682 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.513 12.679 -4.857 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.357 7.983 -3.228 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.840 10.849 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 57 2.782 8.499 -5.591 1.00 0.00 H new ATOM 854 N LYS A 58 6.112 14.388 -3.983 1.00 0.00 N ATOM 855 CA LYS A 58 6.319 15.054 -5.262 1.00 0.00 C ATOM 856 C LYS A 58 7.676 14.718 -5.885 1.00 0.00 C ATOM 857 O LYS A 58 7.747 14.307 -7.042 1.00 0.00 O ATOM 858 CB LYS A 58 6.093 16.567 -5.098 1.00 0.00 C ATOM 859 CG LYS A 58 7.021 17.250 -4.075 1.00 0.00 C ATOM 860 CD LYS A 58 6.516 18.648 -3.690 1.00 0.00 C ATOM 861 CE LYS A 58 6.388 19.611 -4.878 1.00 0.00 C ATOM 862 NZ LYS A 58 7.666 19.785 -5.590 1.00 0.00 N ATOM 0 H LYS A 58 5.746 15.017 -3.269 1.00 0.00 H new ATOM 0 HA LYS A 58 5.584 14.677 -5.973 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.227 17.048 -6.067 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.059 16.736 -4.799 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.094 16.631 -3.181 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.025 17.328 -4.491 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.544 18.552 -3.206 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.196 19.080 -2.956 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.636 19.233 -5.571 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.037 20.580 -4.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.551 20.494 -6.342 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.395 20.105 -4.921 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.956 18.879 -6.010 1.00 0.00 H new ATOM 876 N ASN A 59 8.758 14.876 -5.118 1.00 0.00 N ATOM 877 CA ASN A 59 10.087 14.534 -5.608 1.00 0.00 C ATOM 878 C ASN A 59 10.251 13.022 -5.599 1.00 0.00 C ATOM 879 O ASN A 59 10.772 12.449 -6.556 1.00 0.00 O ATOM 880 CB ASN A 59 11.168 15.164 -4.727 1.00 0.00 C ATOM 881 CG ASN A 59 12.531 15.274 -5.418 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.309 16.163 -5.092 1.00 0.00 O ATOM 883 ND2 ASN A 59 12.855 14.401 -6.372 1.00 0.00 N ATOM 0 H ASN A 59 8.736 15.236 -4.164 1.00 0.00 H new ATOM 0 HA ASN A 59 10.195 14.918 -6.622 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.843 16.159 -4.422 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.277 14.571 -3.819 1.00 0.00 H new ATOM 0 HD21 ASN A 59 13.759 14.469 -6.839 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.199 13.665 -6.634 1.00 0.00 H new ATOM 890 N MET A 60 9.853 12.405 -4.482 1.00 0.00 N ATOM 891 CA MET A 60 10.033 10.988 -4.203 1.00 0.00 C ATOM 892 C MET A 60 9.622 10.123 -5.389 1.00 0.00 C ATOM 893 O MET A 60 10.320 9.181 -5.740 1.00 0.00 O ATOM 894 CB MET A 60 9.233 10.554 -2.981 1.00 0.00 C ATOM 895 CG MET A 60 9.664 11.278 -1.711 1.00 0.00 C ATOM 896 SD MET A 60 8.730 10.780 -0.253 1.00 0.00 S ATOM 897 CE MET A 60 9.633 11.756 0.949 1.00 0.00 C ATOM 0 H MET A 60 9.381 12.900 -3.725 1.00 0.00 H new ATOM 0 HA MET A 60 11.096 10.847 -4.009 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.174 10.741 -3.160 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.348 9.479 -2.839 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.723 11.091 -1.536 1.00 0.00 H new ATOM 0 HG3 MET A 60 9.550 12.352 -1.857 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.177 11.635 1.932 1.00 0.00 H new ATOM 0 HE2 MET A 60 10.669 11.420 0.986 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.602 12.807 0.661 1.00 0.00 H new ATOM 907 N CYS A 61 8.483 10.435 -6.001 1.00 0.00 N ATOM 908 CA CYS A 61 7.961 9.644 -7.105 1.00 0.00 C ATOM 909 C CYS A 61 8.909 9.597 -8.308 1.00 0.00 C ATOM 910 O CYS A 61 8.950 8.594 -9.016 1.00 0.00 O ATOM 911 CB CYS A 61 6.577 10.175 -7.486 1.00 0.00 C ATOM 912 SG CYS A 61 5.916 9.214 -8.867 1.00 0.00 S ATOM 0 H CYS A 61 7.903 11.235 -5.747 1.00 0.00 H new ATOM 0 HA CYS A 61 7.873 8.609 -6.774 1.00 0.00 H new ATOM 0 HB2 CYS A 61 5.904 10.111 -6.631 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.644 11.228 -7.761 1.00 0.00 H new ATOM 0 HG CYS A 61 6.884 8.574 -9.453 1.00 0.00 H new ATOM 917 N LYS A 62 9.709 10.645 -8.523 1.00 0.00 N ATOM 918 CA LYS A 62 10.757 10.640 -9.539 1.00 0.00 C ATOM 919 C LYS A 62 12.020 9.993 -8.959 1.00 0.00 C ATOM 920 O LYS A 62 12.656 9.132 -9.567 1.00 0.00 O ATOM 921 CB LYS A 62 11.037 12.079 -9.990 1.00 0.00 C ATOM 922 CG LYS A 62 9.756 12.779 -10.463 1.00 0.00 C ATOM 923 CD LYS A 62 10.095 14.159 -11.033 1.00 0.00 C ATOM 924 CE LYS A 62 8.815 14.894 -11.445 1.00 0.00 C ATOM 925 NZ LYS A 62 9.115 16.224 -12.000 1.00 0.00 N ATOM 0 H LYS A 62 9.646 11.517 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 62 10.436 10.063 -10.406 1.00 0.00 H new ATOM 0 HB2 LYS A 62 11.477 12.641 -9.166 1.00 0.00 H new ATOM 0 HB3 LYS A 62 11.769 12.072 -10.798 1.00 0.00 H new ATOM 0 HG2 LYS A 62 9.260 12.174 -11.222 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.059 12.881 -9.631 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.635 14.745 -10.289 1.00 0.00 H new ATOM 0 HD3 LYS A 62 10.754 14.052 -11.894 1.00 0.00 H new ATOM 0 HE2 LYS A 62 8.276 14.302 -12.185 1.00 0.00 H new ATOM 0 HE3 LYS A 62 8.159 14.998 -10.581 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 8.228 16.696 -12.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 9.608 16.796 -11.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 9.721 16.121 -12.839 1.00 0.00 H new ATOM 939 N LEU A 63 12.375 10.435 -7.755 1.00 0.00 N ATOM 940 CA LEU A 63 13.572 10.060 -7.023 1.00 0.00 C ATOM 941 C LEU A 63 13.682 8.542 -6.854 1.00 0.00 C ATOM 942 O LEU A 63 14.774 7.996 -6.980 1.00 0.00 O ATOM 943 CB LEU A 63 13.494 10.769 -5.673 1.00 0.00 C ATOM 944 CG LEU A 63 14.702 10.733 -4.733 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.983 11.177 -5.443 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.433 11.715 -3.590 1.00 0.00 C ATOM 0 H LEU A 63 11.800 11.101 -7.239 1.00 0.00 H new ATOM 0 HA LEU A 63 14.467 10.359 -7.569 1.00 0.00 H new ATOM 0 HB2 LEU A 63 13.262 11.816 -5.867 1.00 0.00 H new ATOM 0 HB3 LEU A 63 12.646 10.349 -5.132 1.00 0.00 H new ATOM 0 HG LEU A 63 14.839 9.711 -4.379 1.00 0.00 H new ATOM 0 HD11 LEU A 63 16.818 11.138 -4.744 1.00 0.00 H new ATOM 0 HD12 LEU A 63 16.182 10.512 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 63 15.862 12.197 -5.808 1.00 0.00 H new ATOM 0 HD21 LEU A 63 15.278 11.712 -2.901 1.00 0.00 H new ATOM 0 HD22 LEU A 63 14.299 12.718 -3.996 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.530 11.415 -3.058 1.00 0.00 H new ATOM 958 N LYS A 64 12.574 7.846 -6.571 1.00 0.00 N ATOM 959 CA LYS A 64 12.608 6.402 -6.404 1.00 0.00 C ATOM 960 C LYS A 64 13.094 5.710 -7.686 1.00 0.00 C ATOM 961 O LYS A 64 14.182 5.141 -7.657 1.00 0.00 O ATOM 962 CB LYS A 64 11.293 5.864 -5.817 1.00 0.00 C ATOM 963 CG LYS A 64 11.300 4.324 -5.817 1.00 0.00 C ATOM 964 CD LYS A 64 10.162 3.702 -5.000 1.00 0.00 C ATOM 965 CE LYS A 64 8.781 3.924 -5.632 1.00 0.00 C ATOM 966 NZ LYS A 64 8.663 3.263 -6.944 1.00 0.00 N ATOM 0 H LYS A 64 11.651 8.264 -6.455 1.00 0.00 H new ATOM 0 HA LYS A 64 13.354 6.147 -5.651 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.162 6.234 -4.800 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.449 6.231 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.233 3.969 -6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.253 3.974 -5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.340 2.632 -4.895 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.169 4.126 -3.996 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.010 3.542 -4.963 1.00 0.00 H new ATOM 0 HE3 LYS A 64 8.602 4.993 -5.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.670 3.276 -7.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.248 3.767 -7.641 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.988 2.278 -6.867 1.00 0.00 H new ATOM 980 N PRO A 65 12.354 5.739 -8.809 1.00 0.00 N ATOM 981 CA PRO A 65 12.806 5.131 -10.051 1.00 0.00 C ATOM 982 C PRO A 65 14.193 5.637 -10.458 1.00 0.00 C ATOM 983 O PRO A 65 15.028 4.846 -10.887 1.00 0.00 O ATOM 984 CB PRO A 65 11.722 5.403 -11.099 1.00 0.00 C ATOM 985 CG PRO A 65 10.896 6.543 -10.507 1.00 0.00 C ATOM 986 CD PRO A 65 11.056 6.360 -8.997 1.00 0.00 C ATOM 0 HA PRO A 65 12.937 4.055 -9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.158 5.685 -12.057 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.109 4.519 -11.275 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.264 7.516 -10.834 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.851 6.479 -10.810 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.002 7.318 -8.479 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.261 5.734 -8.593 1.00 0.00 H new ATOM 994 N LEU A 66 14.465 6.934 -10.286 1.00 0.00 N ATOM 995 CA LEU A 66 15.777 7.517 -10.543 1.00 0.00 C ATOM 996 C LEU A 66 16.882 6.759 -9.790 1.00 0.00 C ATOM 997 O LEU A 66 17.829 6.253 -10.402 1.00 0.00 O ATOM 998 CB LEU A 66 15.686 9.009 -10.179 1.00 0.00 C ATOM 999 CG LEU A 66 16.964 9.851 -10.322 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.677 11.123 -11.131 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.447 10.290 -8.937 1.00 0.00 C ATOM 0 H LEU A 66 13.773 7.610 -9.962 1.00 0.00 H new ATOM 0 HA LEU A 66 16.056 7.428 -11.593 1.00 0.00 H new ATOM 0 HB2 LEU A 66 14.913 9.461 -10.801 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.347 9.084 -9.146 1.00 0.00 H new ATOM 0 HG LEU A 66 17.716 9.243 -10.825 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.591 11.709 -11.224 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.319 10.850 -12.123 1.00 0.00 H new ATOM 0 HD13 LEU A 66 15.917 11.715 -10.621 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.353 10.887 -9.040 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.673 10.886 -8.454 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.659 9.410 -8.330 1.00 0.00 H new ATOM 1013 N LEU A 67 16.773 6.656 -8.463 1.00 0.00 N ATOM 1014 CA LEU A 67 17.774 5.982 -7.658 1.00 0.00 C ATOM 1015 C LEU A 67 17.771 4.473 -7.895 1.00 0.00 C ATOM 1016 O LEU A 67 18.834 3.863 -7.874 1.00 0.00 O ATOM 1017 CB LEU A 67 17.586 6.320 -6.179 1.00 0.00 C ATOM 1018 CG LEU A 67 17.887 7.788 -5.843 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.651 8.037 -4.360 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.302 8.249 -6.216 1.00 0.00 C ATOM 0 H LEU A 67 15.993 7.036 -7.928 1.00 0.00 H new ATOM 0 HA LEU A 67 18.754 6.345 -7.967 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.560 6.092 -5.890 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.235 5.679 -5.583 1.00 0.00 H new ATOM 0 HG LEU A 67 17.204 8.376 -6.456 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.866 9.080 -4.127 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.612 7.817 -4.115 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.306 7.392 -3.774 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.427 9.297 -5.944 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.034 7.645 -5.680 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.451 8.133 -7.289 1.00 0.00 H new ATOM 1032 N GLU A 68 16.611 3.858 -8.134 1.00 0.00 N ATOM 1033 CA GLU A 68 16.537 2.447 -8.492 1.00 0.00 C ATOM 1034 C GLU A 68 17.342 2.184 -9.769 1.00 0.00 C ATOM 1035 O GLU A 68 18.163 1.269 -9.803 1.00 0.00 O ATOM 1036 CB GLU A 68 15.077 2.011 -8.667 1.00 0.00 C ATOM 1037 CG GLU A 68 14.341 1.910 -7.324 1.00 0.00 C ATOM 1038 CD GLU A 68 12.854 1.593 -7.460 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.256 2.030 -8.467 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.330 0.938 -6.533 1.00 0.00 O ATOM 0 H GLU A 68 15.705 4.323 -8.084 1.00 0.00 H new ATOM 0 HA GLU A 68 16.970 1.857 -7.684 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.561 2.723 -9.310 1.00 0.00 H new ATOM 0 HB3 GLU A 68 15.045 1.045 -9.171 1.00 0.00 H new ATOM 0 HG2 GLU A 68 14.814 1.137 -6.718 1.00 0.00 H new ATOM 0 HG3 GLU A 68 14.455 2.851 -6.786 1.00 0.00 H new ATOM 1047 N LYS A 69 17.121 2.982 -10.820 1.00 0.00 N ATOM 1048 CA LYS A 69 17.817 2.790 -12.085 1.00 0.00 C ATOM 1049 C LYS A 69 19.312 3.026 -11.861 1.00 0.00 C ATOM 1050 O LYS A 69 20.138 2.225 -12.298 1.00 0.00 O ATOM 1051 CB LYS A 69 17.198 3.699 -13.160 1.00 0.00 C ATOM 1052 CG LYS A 69 17.364 3.220 -14.612 1.00 0.00 C ATOM 1053 CD LYS A 69 18.785 3.125 -15.196 1.00 0.00 C ATOM 1054 CE LYS A 69 19.483 4.468 -15.463 1.00 0.00 C ATOM 1055 NZ LYS A 69 19.992 5.112 -14.240 1.00 0.00 N ATOM 0 H LYS A 69 16.466 3.764 -10.814 1.00 0.00 H new ATOM 0 HA LYS A 69 17.704 1.770 -12.452 1.00 0.00 H new ATOM 0 HB2 LYS A 69 16.134 3.806 -12.951 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.641 4.691 -13.071 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.907 2.234 -14.690 1.00 0.00 H new ATOM 0 HG3 LYS A 69 16.787 3.890 -15.250 1.00 0.00 H new ATOM 0 HD2 LYS A 69 19.402 2.545 -14.510 1.00 0.00 H new ATOM 0 HD3 LYS A 69 18.738 2.568 -16.132 1.00 0.00 H new ATOM 0 HE2 LYS A 69 20.311 4.308 -16.153 1.00 0.00 H new ATOM 0 HE3 LYS A 69 18.783 5.142 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 20.770 5.758 -14.485 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 19.226 5.649 -13.786 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 20.340 4.384 -13.584 1.00 0.00 H new ATOM 1069 N TRP A 70 19.669 4.095 -11.138 1.00 0.00 N ATOM 1070 CA TRP A 70 21.053 4.324 -10.735 1.00 0.00 C ATOM 1071 C TRP A 70 21.640 3.076 -10.067 1.00 0.00 C ATOM 1072 O TRP A 70 22.737 2.644 -10.417 1.00 0.00 O ATOM 1073 CB TRP A 70 21.140 5.532 -9.797 1.00 0.00 C ATOM 1074 CG TRP A 70 22.504 5.827 -9.253 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.396 6.687 -9.788 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.153 5.272 -8.067 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.523 6.734 -9.002 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.446 5.856 -7.941 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.778 4.343 -7.076 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.322 5.519 -6.900 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.657 3.979 -6.039 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.933 4.559 -5.955 1.00 0.00 C ATOM 0 H TRP A 70 19.015 4.812 -10.823 1.00 0.00 H new ATOM 0 HA TRP A 70 21.641 4.535 -11.628 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.783 6.412 -10.332 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.461 5.370 -8.960 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.247 7.253 -10.696 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.320 7.345 -9.182 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.794 3.900 -7.113 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.289 5.995 -6.826 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.349 3.250 -5.304 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.611 4.267 -5.167 1.00 0.00 H new ATOM 1093 N LEU A 71 20.913 2.500 -9.106 1.00 0.00 N ATOM 1094 CA LEU A 71 21.384 1.361 -8.331 1.00 0.00 C ATOM 1095 C LEU A 71 21.634 0.202 -9.286 1.00 0.00 C ATOM 1096 O LEU A 71 22.720 -0.369 -9.293 1.00 0.00 O ATOM 1097 CB LEU A 71 20.360 0.964 -7.248 1.00 0.00 C ATOM 1098 CG LEU A 71 20.904 1.122 -5.820 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.769 0.842 -4.827 1.00 0.00 C ATOM 1100 CD2 LEU A 71 22.071 0.172 -5.527 1.00 0.00 C ATOM 0 H LEU A 71 19.978 2.816 -8.847 1.00 0.00 H new ATOM 0 HA LEU A 71 22.308 1.626 -7.817 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.465 1.577 -7.360 1.00 0.00 H new ATOM 0 HB3 LEU A 71 20.058 -0.072 -7.403 1.00 0.00 H new ATOM 0 HG LEU A 71 21.279 2.140 -5.718 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.142 0.951 -3.808 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.957 1.550 -4.994 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.401 -0.174 -4.972 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.417 0.325 -4.505 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.739 -0.859 -5.647 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.887 0.374 -6.221 1.00 0.00 H new ATOM 1112 N ASN A 72 20.637 -0.123 -10.114 1.00 0.00 N ATOM 1113 CA ASN A 72 20.745 -1.193 -11.096 1.00 0.00 C ATOM 1114 C ASN A 72 21.963 -0.970 -11.992 1.00 0.00 C ATOM 1115 O ASN A 72 22.705 -1.916 -12.253 1.00 0.00 O ATOM 1116 CB ASN A 72 19.459 -1.278 -11.928 1.00 0.00 C ATOM 1117 CG ASN A 72 19.310 -2.564 -12.748 1.00 0.00 C ATOM 1118 OD1 ASN A 72 18.192 -2.934 -13.090 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.384 -3.278 -13.084 1.00 0.00 N ATOM 0 H ASN A 72 19.734 0.352 -10.118 1.00 0.00 H new ATOM 0 HA ASN A 72 20.878 -2.141 -10.574 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.603 -1.189 -11.259 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.424 -0.425 -12.606 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.277 -4.135 -13.627 1.00 0.00 H new ATOM 0 HD22 ASN A 72 21.313 -2.968 -12.798 1.00 0.00 H new ATOM 1126 N ASP A 73 22.151 0.257 -12.482 1.00 0.00 N ATOM 1127 CA ASP A 73 23.266 0.604 -13.351 1.00 0.00 C ATOM 1128 C ASP A 73 24.597 0.364 -12.636 1.00 0.00 C ATOM 1129 O ASP A 73 25.461 -0.335 -13.157 1.00 0.00 O ATOM 1130 CB ASP A 73 23.131 2.057 -13.823 1.00 0.00 C ATOM 1131 CG ASP A 73 24.234 2.421 -14.812 1.00 0.00 C ATOM 1132 OD1 ASP A 73 25.339 2.758 -14.338 1.00 0.00 O ATOM 1133 OD2 ASP A 73 23.946 2.362 -16.026 1.00 0.00 O ATOM 0 H ASP A 73 21.527 1.039 -12.283 1.00 0.00 H new ATOM 0 HA ASP A 73 23.247 -0.038 -14.231 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.157 2.201 -14.291 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.174 2.727 -12.964 1.00 0.00 H new ATOM 1138 N ALA A 74 24.752 0.938 -11.438 1.00 0.00 N ATOM 1139 CA ALA A 74 25.949 0.772 -10.621 1.00 0.00 C ATOM 1140 C ALA A 74 26.229 -0.716 -10.389 1.00 0.00 C ATOM 1141 O ALA A 74 27.344 -1.191 -10.594 1.00 0.00 O ATOM 1142 CB ALA A 74 25.778 1.524 -9.298 1.00 0.00 C ATOM 0 H ALA A 74 24.043 1.534 -11.009 1.00 0.00 H new ATOM 0 HA ALA A 74 26.808 1.192 -11.143 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.674 1.398 -8.690 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.622 2.584 -9.499 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.916 1.126 -8.762 1.00 0.00 H new