USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 585 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 26 THR OG1 : rot 75:sc= 1.6 USER MOD Set 1.2: A 44 GLN : amide:sc= 0.302 K(o=3.1,f=-3.5!) USER MOD Set 1.3: A 48 SER OG : rot 75:sc= 1.23 USER MOD Set 2.1: A 43 SER OG : rot 36:sc= 0.995 USER MOD Set 2.2: A 45 THR OG1 : rot 180:sc= 0.0942 USER MOD Single : A 11 GLN : amide:sc= 0.634 K(o=0.63,f=-2.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 THR OG1 : rot 69:sc= 1.27 USER MOD Single : A 17 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0119) USER MOD Single : A 18 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 MET CE :methyl 168:sc= -1.61 (180deg=-2.54) USER MOD Single : A 36 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0143) USER MOD Single : A 38 TYR OH : rot -173:sc= 1.22 USER MOD Single : A 40 ASN : amide:sc= 0.844 K(o=0.84,f=-0.44) USER MOD Single : A 46 THR OG1 : rot -174:sc= 1.36 USER MOD Single : A 54 ASN : amide:sc= 0 K(o=0,f=-1.6!) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 144:sc= -0.0916 (180deg=-0.966) USER MOD Single : A 59 ASN : amide:sc= -1.35 K(o=-1.4,f=-2.7!) USER MOD Single : A 60 MET CE :methyl 169:sc= -0.565 (180deg=-1.06) USER MOD Single : A 61 CYS SG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ -156:sc= -0.313 (180deg=-1.18) USER MOD Single : A 69 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0557) USER MOD Single : A 72 ASN : amide:sc= 0.147! X(o=0.15!,f=-0.028) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 1.978 4.981 -2.299 1.00 0.00 N ATOM 2 CA ASP A 5 3.325 4.810 -2.824 1.00 0.00 C ATOM 3 C ASP A 5 4.375 5.127 -1.757 1.00 0.00 C ATOM 4 O ASP A 5 5.473 4.575 -1.783 1.00 0.00 O ATOM 5 CB ASP A 5 3.509 5.686 -4.067 1.00 0.00 C ATOM 6 CG ASP A 5 4.923 5.569 -4.630 1.00 0.00 C ATOM 7 OD1 ASP A 5 5.281 4.446 -5.047 1.00 0.00 O ATOM 8 OD2 ASP A 5 5.623 6.604 -4.631 1.00 0.00 O ATOM 0 HA ASP A 5 3.463 3.767 -3.111 1.00 0.00 H new ATOM 0 HB2 ASP A 5 2.787 5.393 -4.830 1.00 0.00 H new ATOM 0 HB3 ASP A 5 3.302 6.726 -3.814 1.00 0.00 H new ATOM 15 N LEU A 6 4.031 5.982 -0.790 1.00 0.00 N ATOM 16 CA LEU A 6 4.898 6.299 0.342 1.00 0.00 C ATOM 17 C LEU A 6 5.372 5.030 1.054 1.00 0.00 C ATOM 18 O LEU A 6 6.549 4.915 1.392 1.00 0.00 O ATOM 19 CB LEU A 6 4.209 7.285 1.290 1.00 0.00 C ATOM 20 CG LEU A 6 4.335 8.714 0.731 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.168 9.582 1.212 1.00 0.00 C ATOM 22 CD2 LEU A 6 5.660 9.362 1.157 1.00 0.00 C ATOM 0 H LEU A 6 3.138 6.475 -0.773 1.00 0.00 H new ATOM 0 HA LEU A 6 5.794 6.791 -0.036 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.158 7.020 1.405 1.00 0.00 H new ATOM 0 HB3 LEU A 6 4.662 7.230 2.280 1.00 0.00 H new ATOM 0 HG LEU A 6 4.313 8.645 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.273 10.589 0.808 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.228 9.150 0.870 1.00 0.00 H new ATOM 0 HD13 LEU A 6 3.172 9.626 2.301 1.00 0.00 H new ATOM 0 HD21 LEU A 6 5.720 10.370 0.747 1.00 0.00 H new ATOM 0 HD22 LEU A 6 5.709 9.409 2.245 1.00 0.00 H new ATOM 0 HD23 LEU A 6 6.493 8.767 0.782 1.00 0.00 H new ATOM 34 N GLU A 7 4.466 4.059 1.204 1.00 0.00 N ATOM 35 CA GLU A 7 4.758 2.728 1.722 1.00 0.00 C ATOM 36 C GLU A 7 5.952 2.087 1.008 1.00 0.00 C ATOM 37 O GLU A 7 6.749 1.389 1.633 1.00 0.00 O ATOM 38 CB GLU A 7 3.516 1.839 1.575 1.00 0.00 C ATOM 39 CG GLU A 7 2.332 2.362 2.401 1.00 0.00 C ATOM 40 CD GLU A 7 1.115 1.459 2.241 1.00 0.00 C ATOM 41 OE1 GLU A 7 0.332 1.726 1.304 1.00 0.00 O ATOM 42 OE2 GLU A 7 0.996 0.514 3.051 1.00 0.00 O ATOM 0 H GLU A 7 3.484 4.185 0.960 1.00 0.00 H new ATOM 0 HA GLU A 7 5.022 2.825 2.775 1.00 0.00 H new ATOM 0 HB2 GLU A 7 3.230 1.787 0.524 1.00 0.00 H new ATOM 0 HB3 GLU A 7 3.758 0.824 1.890 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.613 2.417 3.453 1.00 0.00 H new ATOM 0 HG3 GLU A 7 2.082 3.375 2.085 1.00 0.00 H new ATOM 49 N GLU A 8 6.078 2.316 -0.303 1.00 0.00 N ATOM 50 CA GLU A 8 7.186 1.808 -1.091 1.00 0.00 C ATOM 51 C GLU A 8 8.388 2.737 -0.977 1.00 0.00 C ATOM 52 O GLU A 8 9.503 2.264 -0.780 1.00 0.00 O ATOM 53 CB GLU A 8 6.755 1.581 -2.547 1.00 0.00 C ATOM 54 CG GLU A 8 5.473 0.739 -2.643 1.00 0.00 C ATOM 55 CD GLU A 8 5.515 -0.514 -1.768 1.00 0.00 C ATOM 56 OE1 GLU A 8 6.558 -1.204 -1.804 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.512 -0.743 -1.060 1.00 0.00 O ATOM 0 H GLU A 8 5.407 2.863 -0.842 1.00 0.00 H new ATOM 0 HA GLU A 8 7.491 0.839 -0.696 1.00 0.00 H new ATOM 0 HB2 GLU A 8 6.594 2.544 -3.032 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.558 1.082 -3.089 1.00 0.00 H new ATOM 0 HG2 GLU A 8 4.620 1.351 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 8 5.314 0.446 -3.681 1.00 0.00 H new ATOM 64 N LEU A 9 8.176 4.052 -1.084 1.00 0.00 N ATOM 65 CA LEU A 9 9.245 5.035 -0.947 1.00 0.00 C ATOM 66 C LEU A 9 10.052 4.816 0.332 1.00 0.00 C ATOM 67 O LEU A 9 11.276 4.829 0.264 1.00 0.00 O ATOM 68 CB LEU A 9 8.689 6.469 -1.004 1.00 0.00 C ATOM 69 CG LEU A 9 8.311 6.889 -2.432 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.354 8.083 -2.413 1.00 0.00 C ATOM 71 CD2 LEU A 9 9.574 7.302 -3.191 1.00 0.00 C ATOM 0 H LEU A 9 7.259 4.460 -1.268 1.00 0.00 H new ATOM 0 HA LEU A 9 9.921 4.898 -1.791 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.812 6.542 -0.361 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.433 7.161 -0.608 1.00 0.00 H new ATOM 0 HG LEU A 9 7.825 6.043 -2.918 1.00 0.00 H new ATOM 0 HD11 LEU A 9 7.100 8.362 -3.436 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.445 7.813 -1.875 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.833 8.926 -1.915 1.00 0.00 H new ATOM 0 HD21 LEU A 9 9.308 7.601 -4.205 1.00 0.00 H new ATOM 0 HD22 LEU A 9 10.049 8.139 -2.679 1.00 0.00 H new ATOM 0 HD23 LEU A 9 10.266 6.461 -3.230 1.00 0.00 H new ATOM 83 N GLU A 10 9.403 4.615 1.486 1.00 0.00 N ATOM 84 CA GLU A 10 10.135 4.447 2.737 1.00 0.00 C ATOM 85 C GLU A 10 11.113 3.275 2.661 1.00 0.00 C ATOM 86 O GLU A 10 12.329 3.455 2.753 1.00 0.00 O ATOM 87 CB GLU A 10 9.192 4.365 3.947 1.00 0.00 C ATOM 88 CG GLU A 10 8.090 3.298 3.913 1.00 0.00 C ATOM 89 CD GLU A 10 7.046 3.561 4.992 1.00 0.00 C ATOM 90 OE1 GLU A 10 6.092 4.313 4.693 1.00 0.00 O ATOM 91 OE2 GLU A 10 7.231 3.017 6.102 1.00 0.00 O ATOM 0 H GLU A 10 8.388 4.566 1.575 1.00 0.00 H new ATOM 0 HA GLU A 10 10.739 5.342 2.889 1.00 0.00 H new ATOM 0 HB2 GLU A 10 9.799 4.194 4.836 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.715 5.338 4.069 1.00 0.00 H new ATOM 0 HG2 GLU A 10 7.613 3.293 2.933 1.00 0.00 H new ATOM 0 HG3 GLU A 10 8.529 2.311 4.059 1.00 0.00 H new ATOM 98 N GLN A 11 10.569 2.071 2.488 1.00 0.00 N ATOM 99 CA GLN A 11 11.364 0.854 2.406 1.00 0.00 C ATOM 100 C GLN A 11 12.413 0.971 1.297 1.00 0.00 C ATOM 101 O GLN A 11 13.587 0.689 1.527 1.00 0.00 O ATOM 102 CB GLN A 11 10.471 -0.402 2.334 1.00 0.00 C ATOM 103 CG GLN A 11 9.499 -0.504 1.145 1.00 0.00 C ATOM 104 CD GLN A 11 10.109 -1.096 -0.128 1.00 0.00 C ATOM 105 OE1 GLN A 11 11.303 -1.366 -0.192 1.00 0.00 O ATOM 106 NE2 GLN A 11 9.300 -1.331 -1.159 1.00 0.00 N ATOM 0 H GLN A 11 9.565 1.916 2.401 1.00 0.00 H new ATOM 0 HA GLN A 11 11.931 0.727 3.328 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.120 -1.278 2.317 1.00 0.00 H new ATOM 0 HB3 GLN A 11 9.888 -0.456 3.253 1.00 0.00 H new ATOM 0 HG2 GLN A 11 8.646 -1.115 1.441 1.00 0.00 H new ATOM 0 HG3 GLN A 11 9.116 0.491 0.920 1.00 0.00 H new ATOM 0 HE21 GLN A 11 8.308 -1.101 -1.092 1.00 0.00 H new ATOM 0 HE22 GLN A 11 9.672 -1.741 -2.016 1.00 0.00 H new ATOM 115 N PHE A 12 12.012 1.451 0.118 1.00 0.00 N ATOM 116 CA PHE A 12 12.911 1.630 -1.011 1.00 0.00 C ATOM 117 C PHE A 12 14.087 2.522 -0.610 1.00 0.00 C ATOM 118 O PHE A 12 15.246 2.160 -0.795 1.00 0.00 O ATOM 119 CB PHE A 12 12.140 2.213 -2.203 1.00 0.00 C ATOM 120 CG PHE A 12 13.026 2.563 -3.379 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.672 3.811 -3.402 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.366 1.579 -4.326 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.751 4.025 -4.280 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.374 1.835 -5.272 1.00 0.00 C ATOM 125 CZ PHE A 12 15.086 3.046 -5.231 1.00 0.00 C ATOM 0 H PHE A 12 11.049 1.726 -0.076 1.00 0.00 H new ATOM 0 HA PHE A 12 13.316 0.664 -1.312 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.387 1.494 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.608 3.108 -1.880 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.341 4.604 -2.748 1.00 0.00 H new ATOM 0 HD2 PHE A 12 12.853 0.628 -4.326 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.321 4.941 -4.223 1.00 0.00 H new ATOM 0 HE2 PHE A 12 14.601 1.101 -6.031 1.00 0.00 H new ATOM 0 HZ PHE A 12 15.890 3.224 -5.930 1.00 0.00 H new ATOM 135 N ALA A 13 13.797 3.696 -0.049 1.00 0.00 N ATOM 136 CA ALA A 13 14.820 4.657 0.317 1.00 0.00 C ATOM 137 C ALA A 13 15.764 4.045 1.353 1.00 0.00 C ATOM 138 O ALA A 13 16.978 4.043 1.157 1.00 0.00 O ATOM 139 CB ALA A 13 14.171 5.962 0.787 1.00 0.00 C ATOM 0 H ALA A 13 12.847 4.001 0.161 1.00 0.00 H new ATOM 0 HA ALA A 13 15.428 4.907 -0.552 1.00 0.00 H new ATOM 0 HB1 ALA A 13 14.947 6.677 1.060 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.563 6.376 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.540 5.763 1.654 1.00 0.00 H new ATOM 145 N LYS A 14 15.220 3.465 2.426 1.00 0.00 N ATOM 146 CA LYS A 14 16.026 2.751 3.413 1.00 0.00 C ATOM 147 C LYS A 14 16.855 1.633 2.763 1.00 0.00 C ATOM 148 O LYS A 14 17.989 1.377 3.158 1.00 0.00 O ATOM 149 CB LYS A 14 15.125 2.200 4.523 1.00 0.00 C ATOM 150 CG LYS A 14 14.509 3.345 5.342 1.00 0.00 C ATOM 151 CD LYS A 14 13.720 2.833 6.555 1.00 0.00 C ATOM 152 CE LYS A 14 12.498 2.005 6.143 1.00 0.00 C ATOM 153 NZ LYS A 14 11.651 1.681 7.304 1.00 0.00 N ATOM 0 H LYS A 14 14.221 3.478 2.632 1.00 0.00 H new ATOM 0 HA LYS A 14 16.732 3.455 3.853 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.333 1.591 4.087 1.00 0.00 H new ATOM 0 HB3 LYS A 14 15.704 1.548 5.178 1.00 0.00 H new ATOM 0 HG2 LYS A 14 15.301 4.013 5.682 1.00 0.00 H new ATOM 0 HG3 LYS A 14 13.849 3.932 4.703 1.00 0.00 H new ATOM 0 HD2 LYS A 14 14.374 2.226 7.182 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.396 3.680 7.159 1.00 0.00 H new ATOM 0 HE2 LYS A 14 11.914 2.558 5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 14 12.826 1.084 5.662 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 10.833 1.120 6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 12.203 1.133 7.994 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 11.318 2.561 7.747 1.00 0.00 H new ATOM 167 N THR A 15 16.320 0.994 1.726 1.00 0.00 N ATOM 168 CA THR A 15 17.046 -0.047 1.003 1.00 0.00 C ATOM 169 C THR A 15 18.198 0.584 0.224 1.00 0.00 C ATOM 170 O THR A 15 19.305 0.048 0.208 1.00 0.00 O ATOM 171 CB THR A 15 16.112 -0.892 0.127 1.00 0.00 C ATOM 172 OG1 THR A 15 15.131 -1.490 0.946 1.00 0.00 O ATOM 173 CG2 THR A 15 16.863 -2.021 -0.584 1.00 0.00 C ATOM 0 H THR A 15 15.384 1.179 1.367 1.00 0.00 H new ATOM 0 HA THR A 15 17.475 -0.749 1.718 1.00 0.00 H new ATOM 0 HB THR A 15 15.673 -0.229 -0.619 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.528 -0.799 1.291 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.165 -2.595 -1.194 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.638 -1.597 -1.222 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.321 -2.676 0.157 1.00 0.00 H new ATOM 181 N PHE A 16 17.966 1.749 -0.385 1.00 0.00 N ATOM 182 CA PHE A 16 19.029 2.525 -1.002 1.00 0.00 C ATOM 183 C PHE A 16 20.099 2.866 0.044 1.00 0.00 C ATOM 184 O PHE A 16 21.287 2.733 -0.231 1.00 0.00 O ATOM 185 CB PHE A 16 18.460 3.756 -1.723 1.00 0.00 C ATOM 186 CG PHE A 16 19.409 4.333 -2.755 1.00 0.00 C ATOM 187 CD1 PHE A 16 19.390 3.825 -4.066 1.00 0.00 C ATOM 188 CD2 PHE A 16 20.332 5.339 -2.410 1.00 0.00 C ATOM 189 CE1 PHE A 16 20.264 4.341 -5.035 1.00 0.00 C ATOM 190 CE2 PHE A 16 21.192 5.872 -3.390 1.00 0.00 C ATOM 191 CZ PHE A 16 21.161 5.370 -4.702 1.00 0.00 C ATOM 0 H PHE A 16 17.042 2.173 -0.461 1.00 0.00 H new ATOM 0 HA PHE A 16 19.519 1.931 -1.774 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.524 3.483 -2.211 1.00 0.00 H new ATOM 0 HB3 PHE A 16 18.223 4.524 -0.986 1.00 0.00 H new ATOM 0 HD1 PHE A 16 18.701 3.036 -4.328 1.00 0.00 H new ATOM 0 HD2 PHE A 16 20.381 5.702 -1.394 1.00 0.00 H new ATOM 0 HE1 PHE A 16 20.247 3.946 -6.040 1.00 0.00 H new ATOM 0 HE2 PHE A 16 21.876 6.667 -3.133 1.00 0.00 H new ATOM 0 HZ PHE A 16 21.825 5.774 -5.452 1.00 0.00 H new ATOM 201 N LYS A 17 19.691 3.237 1.264 1.00 0.00 N ATOM 202 CA LYS A 17 20.620 3.459 2.371 1.00 0.00 C ATOM 203 C LYS A 17 21.449 2.200 2.647 1.00 0.00 C ATOM 204 O LYS A 17 22.674 2.262 2.720 1.00 0.00 O ATOM 205 CB LYS A 17 19.866 3.915 3.631 1.00 0.00 C ATOM 206 CG LYS A 17 20.811 4.578 4.640 1.00 0.00 C ATOM 207 CD LYS A 17 20.004 5.165 5.806 1.00 0.00 C ATOM 208 CE LYS A 17 20.872 6.038 6.720 1.00 0.00 C ATOM 209 NZ LYS A 17 21.985 5.279 7.316 1.00 0.00 N ATOM 0 H LYS A 17 18.712 3.390 1.507 1.00 0.00 H new ATOM 0 HA LYS A 17 21.308 4.255 2.086 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.079 4.616 3.352 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.379 3.058 4.096 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.528 3.847 5.014 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.385 5.365 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.179 5.759 5.414 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.565 4.355 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.270 6.876 6.149 1.00 0.00 H new ATOM 0 HE3 LYS A 17 20.254 6.458 7.514 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 22.516 5.894 7.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 21.608 4.464 7.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 22.618 4.943 6.563 1.00 0.00 H new ATOM 223 N GLN A 18 20.789 1.053 2.812 1.00 0.00 N ATOM 224 CA GLN A 18 21.456 -0.223 3.055 1.00 0.00 C ATOM 225 C GLN A 18 22.473 -0.516 1.943 1.00 0.00 C ATOM 226 O GLN A 18 23.624 -0.856 2.216 1.00 0.00 O ATOM 227 CB GLN A 18 20.405 -1.334 3.172 1.00 0.00 C ATOM 228 CG GLN A 18 19.554 -1.176 4.444 1.00 0.00 C ATOM 229 CD GLN A 18 18.168 -1.804 4.308 1.00 0.00 C ATOM 230 OE1 GLN A 18 17.175 -1.239 4.753 1.00 0.00 O ATOM 231 NE2 GLN A 18 18.079 -2.976 3.685 1.00 0.00 N ATOM 0 H GLN A 18 19.772 0.985 2.780 1.00 0.00 H new ATOM 0 HA GLN A 18 22.008 -0.175 3.993 1.00 0.00 H new ATOM 0 HB2 GLN A 18 19.757 -1.317 2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 18 20.900 -2.305 3.183 1.00 0.00 H new ATOM 0 HG2 GLN A 18 20.075 -1.635 5.284 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.447 -0.116 4.675 1.00 0.00 H new ATOM 0 HE21 GLN A 18 18.920 -3.426 3.323 1.00 0.00 H new ATOM 0 HE22 GLN A 18 17.170 -3.424 3.569 1.00 0.00 H new ATOM 240 N ARG A 19 22.054 -0.365 0.686 1.00 0.00 N ATOM 241 CA ARG A 19 22.919 -0.539 -0.472 1.00 0.00 C ATOM 242 C ARG A 19 24.109 0.422 -0.410 1.00 0.00 C ATOM 243 O ARG A 19 25.247 -0.003 -0.598 1.00 0.00 O ATOM 244 CB ARG A 19 22.097 -0.382 -1.758 1.00 0.00 C ATOM 245 CG ARG A 19 21.180 -1.607 -1.947 1.00 0.00 C ATOM 246 CD ARG A 19 21.566 -2.477 -3.151 1.00 0.00 C ATOM 247 NE ARG A 19 23.018 -2.700 -3.246 1.00 0.00 N ATOM 248 CZ ARG A 19 23.649 -3.095 -4.361 1.00 0.00 C ATOM 249 NH1 ARG A 19 22.944 -3.551 -5.404 1.00 0.00 N ATOM 250 NH2 ARG A 19 24.981 -3.018 -4.427 1.00 0.00 N ATOM 0 H ARG A 19 21.095 -0.116 0.445 1.00 0.00 H new ATOM 0 HA ARG A 19 23.337 -1.546 -0.469 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.498 0.527 -1.708 1.00 0.00 H new ATOM 0 HB3 ARG A 19 22.762 -0.279 -2.615 1.00 0.00 H new ATOM 0 HG2 ARG A 19 21.209 -2.216 -1.044 1.00 0.00 H new ATOM 0 HG3 ARG A 19 20.152 -1.267 -2.069 1.00 0.00 H new ATOM 0 HD2 ARG A 19 21.059 -3.439 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 19 21.215 -2.001 -4.066 1.00 0.00 H new ATOM 0 HE ARG A 19 23.580 -2.544 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 19 21.926 -3.598 -5.350 1.00 0.00 H new ATOM 0 HH12 ARG A 19 23.424 -3.851 -6.252 1.00 0.00 H new ATOM 0 HH21 ARG A 19 25.511 -2.661 -3.632 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.468 -3.317 -5.272 1.00 0.00 H new ATOM 264 N ARG A 20 23.876 1.703 -0.114 1.00 0.00 N ATOM 265 CA ARG A 20 24.959 2.654 0.085 1.00 0.00 C ATOM 266 C ARG A 20 25.927 2.163 1.155 1.00 0.00 C ATOM 267 O ARG A 20 27.131 2.161 0.919 1.00 0.00 O ATOM 268 CB ARG A 20 24.439 4.037 0.480 1.00 0.00 C ATOM 269 CG ARG A 20 23.979 4.856 -0.725 1.00 0.00 C ATOM 270 CD ARG A 20 23.727 6.312 -0.323 1.00 0.00 C ATOM 271 NE ARG A 20 23.070 6.441 0.989 1.00 0.00 N ATOM 272 CZ ARG A 20 23.645 6.947 2.092 1.00 0.00 C ATOM 273 NH1 ARG A 20 24.970 7.122 2.173 1.00 0.00 N ATOM 274 NH2 ARG A 20 22.873 7.316 3.119 1.00 0.00 N ATOM 0 H ARG A 20 22.943 2.101 -0.008 1.00 0.00 H new ATOM 0 HA ARG A 20 25.479 2.737 -0.869 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.608 3.924 1.177 1.00 0.00 H new ATOM 0 HB3 ARG A 20 25.224 4.580 1.006 1.00 0.00 H new ATOM 0 HG2 ARG A 20 24.735 4.815 -1.509 1.00 0.00 H new ATOM 0 HG3 ARG A 20 23.067 4.424 -1.138 1.00 0.00 H new ATOM 0 HD2 ARG A 20 24.676 6.847 -0.302 1.00 0.00 H new ATOM 0 HD3 ARG A 20 23.108 6.791 -1.082 1.00 0.00 H new ATOM 0 HE ARG A 20 22.104 6.122 1.066 1.00 0.00 H new ATOM 0 HH11 ARG A 20 25.567 6.869 1.386 1.00 0.00 H new ATOM 0 HH12 ARG A 20 25.382 7.508 3.022 1.00 0.00 H new ATOM 0 HH21 ARG A 20 21.860 7.212 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 20 23.297 7.702 3.963 1.00 0.00 H new ATOM 288 N ILE A 21 25.422 1.762 2.324 1.00 0.00 N ATOM 289 CA ILE A 21 26.263 1.252 3.400 1.00 0.00 C ATOM 290 C ILE A 21 27.113 0.094 2.870 1.00 0.00 C ATOM 291 O ILE A 21 28.333 0.121 3.009 1.00 0.00 O ATOM 292 CB ILE A 21 25.410 0.877 4.630 1.00 0.00 C ATOM 293 CG1 ILE A 21 24.839 2.158 5.271 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.246 0.105 5.665 1.00 0.00 C ATOM 295 CD1 ILE A 21 23.691 1.873 6.244 1.00 0.00 C ATOM 0 H ILE A 21 24.427 1.783 2.547 1.00 0.00 H new ATOM 0 HA ILE A 21 26.949 2.027 3.743 1.00 0.00 H new ATOM 0 HB ILE A 21 24.593 0.234 4.302 1.00 0.00 H new ATOM 0 HG12 ILE A 21 25.636 2.681 5.800 1.00 0.00 H new ATOM 0 HG13 ILE A 21 24.486 2.826 4.485 1.00 0.00 H new ATOM 0 HG21 ILE A 21 25.621 -0.147 6.522 1.00 0.00 H new ATOM 0 HG22 ILE A 21 26.630 -0.810 5.213 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.080 0.725 5.994 1.00 0.00 H new ATOM 0 HD11 ILE A 21 23.329 2.811 6.664 1.00 0.00 H new ATOM 0 HD12 ILE A 21 22.879 1.376 5.713 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.047 1.229 7.048 1.00 0.00 H new ATOM 307 N LYS A 22 26.485 -0.893 2.223 1.00 0.00 N ATOM 308 CA LYS A 22 27.193 -2.024 1.634 1.00 0.00 C ATOM 309 C LYS A 22 28.293 -1.555 0.671 1.00 0.00 C ATOM 310 O LYS A 22 29.410 -2.065 0.709 1.00 0.00 O ATOM 311 CB LYS A 22 26.182 -2.959 0.952 1.00 0.00 C ATOM 312 CG LYS A 22 26.806 -4.211 0.316 1.00 0.00 C ATOM 313 CD LYS A 22 27.655 -5.063 1.271 1.00 0.00 C ATOM 314 CE LYS A 22 26.861 -5.539 2.493 1.00 0.00 C ATOM 315 NZ LYS A 22 27.666 -6.445 3.332 1.00 0.00 N ATOM 0 H LYS A 22 25.474 -0.926 2.095 1.00 0.00 H new ATOM 0 HA LYS A 22 27.698 -2.582 2.423 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.440 -3.271 1.687 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.651 -2.400 0.181 1.00 0.00 H new ATOM 0 HG2 LYS A 22 26.007 -4.832 -0.090 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.428 -3.903 -0.524 1.00 0.00 H new ATOM 0 HD2 LYS A 22 28.043 -5.928 0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 22 28.515 -4.482 1.604 1.00 0.00 H new ATOM 0 HE2 LYS A 22 26.545 -4.678 3.082 1.00 0.00 H new ATOM 0 HE3 LYS A 22 25.956 -6.051 2.165 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 27.103 -6.751 4.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 27.947 -7.277 2.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 28.517 -5.947 3.663 1.00 0.00 H new ATOM 329 N LEU A 23 27.980 -0.588 -0.195 1.00 0.00 N ATOM 330 CA LEU A 23 28.924 -0.026 -1.156 1.00 0.00 C ATOM 331 C LEU A 23 29.952 0.904 -0.491 1.00 0.00 C ATOM 332 O LEU A 23 30.974 1.220 -1.097 1.00 0.00 O ATOM 333 CB LEU A 23 28.149 0.720 -2.254 1.00 0.00 C ATOM 334 CG LEU A 23 27.274 -0.193 -3.131 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.260 0.650 -3.914 1.00 0.00 C ATOM 336 CD2 LEU A 23 28.131 -0.996 -4.117 1.00 0.00 C ATOM 0 H LEU A 23 27.051 -0.170 -0.247 1.00 0.00 H new ATOM 0 HA LEU A 23 29.487 -0.849 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.516 1.475 -1.789 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.859 1.248 -2.891 1.00 0.00 H new ATOM 0 HG LEU A 23 26.750 -0.889 -2.475 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.644 -0.003 -4.532 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.624 1.195 -3.216 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.790 1.358 -4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 23 27.487 -1.633 -4.724 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.679 -0.311 -4.764 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.837 -1.616 -3.564 1.00 0.00 H new ATOM 348 N GLY A 24 29.684 1.380 0.728 1.00 0.00 N ATOM 349 CA GLY A 24 30.466 2.413 1.389 1.00 0.00 C ATOM 350 C GLY A 24 30.289 3.766 0.695 1.00 0.00 C ATOM 351 O GLY A 24 31.213 4.575 0.656 1.00 0.00 O ATOM 0 H GLY A 24 28.900 1.047 1.289 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.161 2.493 2.432 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.520 2.134 1.386 1.00 0.00 H new ATOM 355 N PHE A 25 29.104 4.015 0.130 1.00 0.00 N ATOM 356 CA PHE A 25 28.823 5.194 -0.678 1.00 0.00 C ATOM 357 C PHE A 25 28.193 6.299 0.164 1.00 0.00 C ATOM 358 O PHE A 25 27.162 6.110 0.807 1.00 0.00 O ATOM 359 CB PHE A 25 27.953 4.829 -1.880 1.00 0.00 C ATOM 360 CG PHE A 25 28.659 4.165 -3.051 1.00 0.00 C ATOM 361 CD1 PHE A 25 29.994 3.713 -2.970 1.00 0.00 C ATOM 362 CD2 PHE A 25 27.966 4.055 -4.269 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.604 3.113 -4.084 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.578 3.455 -5.385 1.00 0.00 C ATOM 365 CZ PHE A 25 29.894 2.974 -5.289 1.00 0.00 C ATOM 0 H PHE A 25 28.304 3.390 0.226 1.00 0.00 H new ATOM 0 HA PHE A 25 29.767 5.581 -1.061 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.160 4.164 -1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 25 27.473 5.738 -2.242 1.00 0.00 H new ATOM 0 HD1 PHE A 25 30.547 3.829 -2.050 1.00 0.00 H new ATOM 0 HD2 PHE A 25 26.958 4.433 -4.349 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.621 2.757 -4.014 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.036 3.364 -6.315 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.360 2.498 -6.139 1.00 0.00 H new ATOM 375 N THR A 26 28.825 7.470 0.141 1.00 0.00 N ATOM 376 CA THR A 26 28.511 8.606 0.980 1.00 0.00 C ATOM 377 C THR A 26 29.250 9.811 0.388 1.00 0.00 C ATOM 378 O THR A 26 29.766 9.715 -0.731 1.00 0.00 O ATOM 379 CB THR A 26 28.901 8.279 2.435 1.00 0.00 C ATOM 380 OG1 THR A 26 28.639 9.381 3.282 1.00 0.00 O ATOM 381 CG2 THR A 26 30.371 7.855 2.557 1.00 0.00 C ATOM 0 H THR A 26 29.603 7.653 -0.493 1.00 0.00 H new ATOM 0 HA THR A 26 27.447 8.842 1.005 1.00 0.00 H new ATOM 0 HB THR A 26 28.287 7.434 2.749 1.00 0.00 H new ATOM 0 HG1 THR A 26 27.675 9.446 3.445 1.00 0.00 H new ATOM 0 HG21 THR A 26 30.601 7.634 3.599 1.00 0.00 H new ATOM 0 HG22 THR A 26 30.545 6.966 1.951 1.00 0.00 H new ATOM 0 HG23 THR A 26 31.013 8.663 2.207 1.00 0.00 H new ATOM 389 N GLN A 27 29.292 10.924 1.129 1.00 0.00 N ATOM 390 CA GLN A 27 29.816 12.233 0.742 1.00 0.00 C ATOM 391 C GLN A 27 29.142 12.753 -0.535 1.00 0.00 C ATOM 392 O GLN A 27 28.298 13.649 -0.486 1.00 0.00 O ATOM 393 CB GLN A 27 31.348 12.201 0.630 1.00 0.00 C ATOM 394 CG GLN A 27 31.999 11.906 1.988 1.00 0.00 C ATOM 395 CD GLN A 27 33.519 11.875 1.883 1.00 0.00 C ATOM 396 OE1 GLN A 27 34.204 12.740 2.416 1.00 0.00 O ATOM 397 NE2 GLN A 27 34.063 10.876 1.193 1.00 0.00 N ATOM 0 H GLN A 27 28.934 10.931 2.084 1.00 0.00 H new ATOM 0 HA GLN A 27 29.570 12.944 1.531 1.00 0.00 H new ATOM 0 HB2 GLN A 27 31.646 11.441 -0.092 1.00 0.00 H new ATOM 0 HB3 GLN A 27 31.707 13.158 0.252 1.00 0.00 H new ATOM 0 HG2 GLN A 27 31.698 12.666 2.710 1.00 0.00 H new ATOM 0 HG3 GLN A 27 31.640 10.948 2.365 1.00 0.00 H new ATOM 0 HE21 GLN A 27 33.466 10.171 0.761 1.00 0.00 H new ATOM 0 HE22 GLN A 27 35.077 10.815 1.097 1.00 0.00 H new ATOM 406 N GLY A 28 29.500 12.167 -1.674 1.00 0.00 N ATOM 407 CA GLY A 28 28.841 12.390 -2.946 1.00 0.00 C ATOM 408 C GLY A 28 29.275 11.358 -3.984 1.00 0.00 C ATOM 409 O GLY A 28 29.347 11.681 -5.164 1.00 0.00 O ATOM 0 H GLY A 28 30.277 11.508 -1.734 1.00 0.00 H new ATOM 0 HA2 GLY A 28 27.760 12.341 -2.812 1.00 0.00 H new ATOM 0 HA3 GLY A 28 29.073 13.392 -3.307 1.00 0.00 H new ATOM 413 N ASP A 29 29.531 10.107 -3.574 1.00 0.00 N ATOM 414 CA ASP A 29 29.824 9.038 -4.529 1.00 0.00 C ATOM 415 C ASP A 29 28.605 8.838 -5.434 1.00 0.00 C ATOM 416 O ASP A 29 28.692 8.923 -6.660 1.00 0.00 O ATOM 417 CB ASP A 29 30.201 7.750 -3.784 1.00 0.00 C ATOM 418 CG ASP A 29 30.687 6.668 -4.748 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.888 6.285 -5.629 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.855 6.253 -4.591 1.00 0.00 O ATOM 0 H ASP A 29 29.540 9.816 -2.596 1.00 0.00 H new ATOM 0 HA ASP A 29 30.677 9.310 -5.151 1.00 0.00 H new ATOM 0 HB2 ASP A 29 30.981 7.966 -3.054 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.338 7.383 -3.229 1.00 0.00 H new ATOM 425 N VAL A 30 27.445 8.639 -4.797 1.00 0.00 N ATOM 426 CA VAL A 30 26.162 8.636 -5.480 1.00 0.00 C ATOM 427 C VAL A 30 26.047 9.903 -6.324 1.00 0.00 C ATOM 428 O VAL A 30 25.724 9.817 -7.501 1.00 0.00 O ATOM 429 CB VAL A 30 25.011 8.500 -4.468 1.00 0.00 C ATOM 430 CG1 VAL A 30 23.649 8.635 -5.155 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.070 7.133 -3.779 1.00 0.00 C ATOM 0 H VAL A 30 27.378 8.476 -3.792 1.00 0.00 H new ATOM 0 HA VAL A 30 26.093 7.775 -6.145 1.00 0.00 H new ATOM 0 HB VAL A 30 25.126 9.299 -3.735 1.00 0.00 H new ATOM 0 HG11 VAL A 30 22.856 8.534 -4.414 1.00 0.00 H new ATOM 0 HG12 VAL A 30 23.578 9.612 -5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 30 23.543 7.855 -5.908 1.00 0.00 H new ATOM 0 HG21 VAL A 30 24.250 7.050 -3.065 1.00 0.00 H new ATOM 0 HG22 VAL A 30 24.982 6.345 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.020 7.031 -3.254 1.00 0.00 H new ATOM 441 N GLY A 31 26.346 11.066 -5.740 1.00 0.00 N ATOM 442 CA GLY A 31 26.366 12.348 -6.429 1.00 0.00 C ATOM 443 C GLY A 31 27.123 12.277 -7.751 1.00 0.00 C ATOM 444 O GLY A 31 26.597 12.703 -8.772 1.00 0.00 O ATOM 0 H GLY A 31 26.586 11.138 -4.751 1.00 0.00 H new ATOM 0 HA2 GLY A 31 25.343 12.675 -6.615 1.00 0.00 H new ATOM 0 HA3 GLY A 31 26.829 13.097 -5.787 1.00 0.00 H new ATOM 448 N LEU A 32 28.339 11.730 -7.740 1.00 0.00 N ATOM 449 CA LEU A 32 29.182 11.604 -8.922 1.00 0.00 C ATOM 450 C LEU A 32 28.517 10.713 -9.966 1.00 0.00 C ATOM 451 O LEU A 32 28.378 11.079 -11.130 1.00 0.00 O ATOM 452 CB LEU A 32 30.541 11.027 -8.514 1.00 0.00 C ATOM 453 CG LEU A 32 31.591 11.031 -9.638 1.00 0.00 C ATOM 454 CD1 LEU A 32 31.952 12.451 -10.096 1.00 0.00 C ATOM 455 CD2 LEU A 32 32.857 10.328 -9.137 1.00 0.00 C ATOM 0 H LEU A 32 28.770 11.357 -6.894 1.00 0.00 H new ATOM 0 HA LEU A 32 29.325 12.590 -9.365 1.00 0.00 H new ATOM 0 HB2 LEU A 32 30.927 11.598 -7.670 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.399 10.003 -8.168 1.00 0.00 H new ATOM 0 HG LEU A 32 31.164 10.508 -10.494 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.697 12.399 -10.890 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.058 12.951 -10.469 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.358 13.013 -9.255 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.608 10.325 -9.927 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.247 10.857 -8.267 1.00 0.00 H new ATOM 0 HD23 LEU A 32 32.618 9.301 -8.860 1.00 0.00 H new ATOM 467 N ALA A 33 28.130 9.512 -9.542 1.00 0.00 N ATOM 468 CA ALA A 33 27.546 8.521 -10.438 1.00 0.00 C ATOM 469 C ALA A 33 26.229 9.028 -11.053 1.00 0.00 C ATOM 470 O ALA A 33 26.031 8.983 -12.266 1.00 0.00 O ATOM 471 CB ALA A 33 27.394 7.204 -9.679 1.00 0.00 C ATOM 0 H ALA A 33 28.212 9.201 -8.574 1.00 0.00 H new ATOM 0 HA ALA A 33 28.207 8.346 -11.287 1.00 0.00 H new ATOM 0 HB1 ALA A 33 26.958 6.453 -10.337 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.373 6.865 -9.339 1.00 0.00 H new ATOM 0 HB3 ALA A 33 26.743 7.353 -8.818 1.00 0.00 H new ATOM 477 N MET A 34 25.328 9.546 -10.218 1.00 0.00 N ATOM 478 CA MET A 34 24.133 10.257 -10.655 1.00 0.00 C ATOM 479 C MET A 34 24.513 11.412 -11.571 1.00 0.00 C ATOM 480 O MET A 34 23.866 11.637 -12.579 1.00 0.00 O ATOM 481 CB MET A 34 23.366 10.781 -9.446 1.00 0.00 C ATOM 482 CG MET A 34 22.690 9.614 -8.719 1.00 0.00 C ATOM 483 SD MET A 34 21.445 10.059 -7.498 1.00 0.00 S ATOM 484 CE MET A 34 20.294 10.868 -8.616 1.00 0.00 C ATOM 0 H MET A 34 25.412 9.481 -9.204 1.00 0.00 H new ATOM 0 HA MET A 34 23.496 9.566 -11.207 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.045 11.300 -8.769 1.00 0.00 H new ATOM 0 HB3 MET A 34 22.617 11.507 -9.764 1.00 0.00 H new ATOM 0 HG2 MET A 34 22.225 8.968 -9.464 1.00 0.00 H new ATOM 0 HG3 MET A 34 23.462 9.025 -8.224 1.00 0.00 H new ATOM 0 HE1 MET A 34 19.346 11.036 -8.104 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.708 11.824 -8.935 1.00 0.00 H new ATOM 0 HE3 MET A 34 20.128 10.235 -9.488 1.00 0.00 H new ATOM 494 N GLY A 35 25.552 12.146 -11.209 1.00 0.00 N ATOM 495 CA GLY A 35 26.220 13.134 -12.044 1.00 0.00 C ATOM 496 C GLY A 35 26.443 12.618 -13.459 1.00 0.00 C ATOM 497 O GLY A 35 26.043 13.262 -14.426 1.00 0.00 O ATOM 0 H GLY A 35 25.973 12.067 -10.283 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.622 14.045 -12.079 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.179 13.399 -11.598 1.00 0.00 H new ATOM 501 N LYS A 36 27.076 11.454 -13.573 1.00 0.00 N ATOM 502 CA LYS A 36 27.361 10.845 -14.862 1.00 0.00 C ATOM 503 C LYS A 36 26.071 10.508 -15.618 1.00 0.00 C ATOM 504 O LYS A 36 25.957 10.819 -16.801 1.00 0.00 O ATOM 505 CB LYS A 36 28.272 9.629 -14.693 1.00 0.00 C ATOM 506 CG LYS A 36 29.673 10.122 -14.317 1.00 0.00 C ATOM 507 CD LYS A 36 30.544 8.984 -13.792 1.00 0.00 C ATOM 508 CE LYS A 36 30.702 7.810 -14.768 1.00 0.00 C ATOM 509 NZ LYS A 36 31.255 8.241 -16.064 1.00 0.00 N ATOM 0 H LYS A 36 27.404 10.910 -12.775 1.00 0.00 H new ATOM 0 HA LYS A 36 27.898 11.570 -15.474 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.882 8.968 -13.919 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.309 9.051 -15.617 1.00 0.00 H new ATOM 0 HG2 LYS A 36 30.148 10.572 -15.189 1.00 0.00 H new ATOM 0 HG3 LYS A 36 29.594 10.901 -13.559 1.00 0.00 H new ATOM 0 HD2 LYS A 36 31.532 9.378 -13.553 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.115 8.613 -12.861 1.00 0.00 H new ATOM 0 HE2 LYS A 36 31.356 7.057 -14.327 1.00 0.00 H new ATOM 0 HE3 LYS A 36 29.733 7.337 -14.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 31.409 7.410 -16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 30.587 8.889 -16.529 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.160 8.730 -15.910 1.00 0.00 H new ATOM 523 N LEU A 37 25.113 9.849 -14.959 1.00 0.00 N ATOM 524 CA LEU A 37 23.909 9.375 -15.641 1.00 0.00 C ATOM 525 C LEU A 37 22.907 10.500 -15.945 1.00 0.00 C ATOM 526 O LEU A 37 22.363 10.564 -17.045 1.00 0.00 O ATOM 527 CB LEU A 37 23.220 8.269 -14.826 1.00 0.00 C ATOM 528 CG LEU A 37 24.091 7.038 -14.524 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.220 5.969 -13.855 1.00 0.00 C ATOM 530 CD2 LEU A 37 24.734 6.439 -15.780 1.00 0.00 C ATOM 0 H LEU A 37 25.148 9.634 -13.963 1.00 0.00 H new ATOM 0 HA LEU A 37 24.241 8.972 -16.598 1.00 0.00 H new ATOM 0 HB2 LEU A 37 22.880 8.694 -13.882 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.332 7.942 -15.366 1.00 0.00 H new ATOM 0 HG LEU A 37 24.899 7.363 -13.869 1.00 0.00 H new ATOM 0 HD11 LEU A 37 23.827 5.090 -13.636 1.00 0.00 H new ATOM 0 HD12 LEU A 37 22.806 6.365 -12.928 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.407 5.690 -14.525 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.336 5.574 -15.503 1.00 0.00 H new ATOM 0 HD22 LEU A 37 23.954 6.131 -16.476 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.370 7.186 -16.255 1.00 0.00 H new ATOM 542 N TYR A 38 22.610 11.330 -14.943 1.00 0.00 N ATOM 543 CA TYR A 38 21.528 12.311 -14.923 1.00 0.00 C ATOM 544 C TYR A 38 22.016 13.736 -14.611 1.00 0.00 C ATOM 545 O TYR A 38 21.810 14.650 -15.404 1.00 0.00 O ATOM 546 CB TYR A 38 20.477 11.909 -13.868 1.00 0.00 C ATOM 547 CG TYR A 38 20.110 10.441 -13.743 1.00 0.00 C ATOM 548 CD1 TYR A 38 19.840 9.660 -14.882 1.00 0.00 C ATOM 549 CD2 TYR A 38 19.853 9.911 -12.463 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.384 8.340 -14.730 1.00 0.00 C ATOM 551 CE2 TYR A 38 19.226 8.662 -12.322 1.00 0.00 C ATOM 552 CZ TYR A 38 19.070 7.844 -13.456 1.00 0.00 C ATOM 553 OH TYR A 38 18.551 6.592 -13.341 1.00 0.00 O ATOM 0 H TYR A 38 23.149 11.334 -14.077 1.00 0.00 H new ATOM 0 HA TYR A 38 21.096 12.318 -15.924 1.00 0.00 H new ATOM 0 HB2 TYR A 38 20.836 12.246 -12.896 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.563 12.464 -14.081 1.00 0.00 H new ATOM 0 HD1 TYR A 38 19.983 10.074 -15.869 1.00 0.00 H new ATOM 0 HD2 TYR A 38 20.140 10.469 -11.584 1.00 0.00 H new ATOM 0 HE1 TYR A 38 19.275 7.705 -15.597 1.00 0.00 H new ATOM 0 HE2 TYR A 38 18.869 8.334 -11.357 1.00 0.00 H new ATOM 0 HH TYR A 38 18.283 6.433 -12.412 1.00 0.00 H new ATOM 563 N GLY A 39 22.586 13.946 -13.418 1.00 0.00 N ATOM 564 CA GLY A 39 22.889 15.261 -12.870 1.00 0.00 C ATOM 565 C GLY A 39 23.409 15.125 -11.436 1.00 0.00 C ATOM 566 O GLY A 39 22.904 14.315 -10.657 1.00 0.00 O ATOM 0 H GLY A 39 22.853 13.183 -12.797 1.00 0.00 H new ATOM 0 HA2 GLY A 39 23.634 15.759 -13.490 1.00 0.00 H new ATOM 0 HA3 GLY A 39 21.995 15.884 -12.884 1.00 0.00 H new ATOM 570 N ASN A 40 24.442 15.900 -11.083 1.00 0.00 N ATOM 571 CA ASN A 40 25.215 15.706 -9.856 1.00 0.00 C ATOM 572 C ASN A 40 24.526 16.345 -8.650 1.00 0.00 C ATOM 573 O ASN A 40 25.089 17.221 -7.997 1.00 0.00 O ATOM 574 CB ASN A 40 26.644 16.237 -10.074 1.00 0.00 C ATOM 575 CG ASN A 40 27.657 15.701 -9.059 1.00 0.00 C ATOM 576 OD1 ASN A 40 28.594 15.003 -9.430 1.00 0.00 O ATOM 577 ND2 ASN A 40 27.516 16.037 -7.782 1.00 0.00 N ATOM 0 H ASN A 40 24.765 16.685 -11.648 1.00 0.00 H new ATOM 0 HA ASN A 40 25.276 14.642 -9.629 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.973 15.971 -11.079 1.00 0.00 H new ATOM 0 HB3 ASN A 40 26.630 17.326 -10.021 1.00 0.00 H new ATOM 0 HD21 ASN A 40 28.194 15.714 -7.092 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.730 16.619 -7.491 1.00 0.00 H new ATOM 584 N ASP A 41 23.298 15.915 -8.353 1.00 0.00 N ATOM 585 CA ASP A 41 22.478 16.566 -7.332 1.00 0.00 C ATOM 586 C ASP A 41 22.569 15.896 -5.957 1.00 0.00 C ATOM 587 O ASP A 41 22.266 16.517 -4.939 1.00 0.00 O ATOM 588 CB ASP A 41 21.035 16.697 -7.836 1.00 0.00 C ATOM 589 CG ASP A 41 20.143 17.407 -6.819 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.342 18.629 -6.648 1.00 0.00 O ATOM 591 OD2 ASP A 41 19.275 16.721 -6.240 1.00 0.00 O ATOM 0 H ASP A 41 22.850 15.118 -8.806 1.00 0.00 H new ATOM 0 HA ASP A 41 22.880 17.566 -7.170 1.00 0.00 H new ATOM 0 HB2 ASP A 41 21.027 17.249 -8.776 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.631 15.706 -8.045 1.00 0.00 H new ATOM 596 N PHE A 42 23.003 14.635 -5.911 1.00 0.00 N ATOM 597 CA PHE A 42 22.857 13.812 -4.719 1.00 0.00 C ATOM 598 C PHE A 42 24.120 13.669 -3.889 1.00 0.00 C ATOM 599 O PHE A 42 24.785 12.633 -3.908 1.00 0.00 O ATOM 600 CB PHE A 42 22.207 12.485 -5.095 1.00 0.00 C ATOM 601 CG PHE A 42 20.740 12.700 -5.421 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.379 13.326 -6.630 1.00 0.00 C ATOM 603 CD2 PHE A 42 19.788 12.599 -4.390 1.00 0.00 C ATOM 604 CE1 PHE A 42 19.042 13.691 -6.865 1.00 0.00 C ATOM 605 CE2 PHE A 42 18.489 13.095 -4.576 1.00 0.00 C ATOM 606 CZ PHE A 42 18.096 13.583 -5.834 1.00 0.00 C ATOM 0 H PHE A 42 23.460 14.164 -6.692 1.00 0.00 H new ATOM 0 HA PHE A 42 22.190 14.338 -4.036 1.00 0.00 H new ATOM 0 HB2 PHE A 42 22.719 12.050 -5.953 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.305 11.776 -4.273 1.00 0.00 H new ATOM 0 HD1 PHE A 42 21.131 13.526 -7.378 1.00 0.00 H new ATOM 0 HD2 PHE A 42 20.058 12.138 -3.452 1.00 0.00 H new ATOM 0 HE1 PHE A 42 18.743 14.054 -7.837 1.00 0.00 H new ATOM 0 HE2 PHE A 42 17.791 13.102 -3.752 1.00 0.00 H new ATOM 0 HZ PHE A 42 17.070 13.874 -6.007 1.00 0.00 H new ATOM 616 N SER A 43 24.413 14.707 -3.108 1.00 0.00 N ATOM 617 CA SER A 43 25.399 14.590 -2.054 1.00 0.00 C ATOM 618 C SER A 43 24.748 13.762 -0.941 1.00 0.00 C ATOM 619 O SER A 43 23.539 13.505 -0.960 1.00 0.00 O ATOM 620 CB SER A 43 25.821 15.983 -1.567 1.00 0.00 C ATOM 621 OG SER A 43 26.742 15.893 -0.495 1.00 0.00 O ATOM 0 H SER A 43 23.982 15.628 -3.189 1.00 0.00 H new ATOM 0 HA SER A 43 26.309 14.099 -2.400 1.00 0.00 H new ATOM 0 HB2 SER A 43 26.270 16.538 -2.390 1.00 0.00 H new ATOM 0 HB3 SER A 43 24.941 16.542 -1.248 1.00 0.00 H new ATOM 0 HG SER A 43 27.338 15.129 -0.639 1.00 0.00 H new ATOM 627 N GLN A 44 25.544 13.374 0.058 1.00 0.00 N ATOM 628 CA GLN A 44 25.037 12.706 1.241 1.00 0.00 C ATOM 629 C GLN A 44 23.860 13.495 1.820 1.00 0.00 C ATOM 630 O GLN A 44 22.889 12.889 2.266 1.00 0.00 O ATOM 631 CB GLN A 44 26.164 12.514 2.266 1.00 0.00 C ATOM 632 CG GLN A 44 25.730 11.788 3.551 1.00 0.00 C ATOM 633 CD GLN A 44 25.183 10.388 3.285 1.00 0.00 C ATOM 634 OE1 GLN A 44 25.886 9.391 3.448 1.00 0.00 O ATOM 635 NE2 GLN A 44 23.928 10.293 2.860 1.00 0.00 N ATOM 0 H GLN A 44 26.554 13.517 0.062 1.00 0.00 H new ATOM 0 HA GLN A 44 24.671 11.715 0.973 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.972 11.951 1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 44 26.568 13.491 2.532 1.00 0.00 H new ATOM 0 HG2 GLN A 44 26.581 11.718 4.228 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.968 12.380 4.058 1.00 0.00 H new ATOM 0 HE21 GLN A 44 23.367 11.136 2.733 1.00 0.00 H new ATOM 0 HE22 GLN A 44 23.525 9.377 2.660 1.00 0.00 H new ATOM 644 N THR A 45 23.938 14.828 1.798 1.00 0.00 N ATOM 645 CA THR A 45 22.881 15.723 2.237 1.00 0.00 C ATOM 646 C THR A 45 21.551 15.426 1.531 1.00 0.00 C ATOM 647 O THR A 45 20.545 15.163 2.196 1.00 0.00 O ATOM 648 CB THR A 45 23.349 17.167 1.994 1.00 0.00 C ATOM 649 OG1 THR A 45 24.718 17.265 2.331 1.00 0.00 O ATOM 650 CG2 THR A 45 22.545 18.180 2.814 1.00 0.00 C ATOM 0 H THR A 45 24.765 15.322 1.463 1.00 0.00 H new ATOM 0 HA THR A 45 22.690 15.573 3.300 1.00 0.00 H new ATOM 0 HB THR A 45 23.192 17.402 0.941 1.00 0.00 H new ATOM 0 HG1 THR A 45 25.028 18.182 2.178 1.00 0.00 H new ATOM 0 HG21 THR A 45 22.911 19.186 2.610 1.00 0.00 H new ATOM 0 HG22 THR A 45 21.492 18.115 2.541 1.00 0.00 H new ATOM 0 HG23 THR A 45 22.659 17.961 3.876 1.00 0.00 H new ATOM 658 N THR A 46 21.530 15.481 0.196 1.00 0.00 N ATOM 659 CA THR A 46 20.327 15.297 -0.598 1.00 0.00 C ATOM 660 C THR A 46 19.809 13.863 -0.445 1.00 0.00 C ATOM 661 O THR A 46 18.608 13.634 -0.288 1.00 0.00 O ATOM 662 CB THR A 46 20.615 15.676 -2.063 1.00 0.00 C ATOM 663 OG1 THR A 46 21.967 16.076 -2.243 1.00 0.00 O ATOM 664 CG2 THR A 46 19.712 16.830 -2.506 1.00 0.00 C ATOM 0 H THR A 46 22.364 15.657 -0.365 1.00 0.00 H new ATOM 0 HA THR A 46 19.535 15.956 -0.241 1.00 0.00 H new ATOM 0 HB THR A 46 20.419 14.788 -2.665 1.00 0.00 H new ATOM 0 HG1 THR A 46 22.093 16.399 -3.160 1.00 0.00 H new ATOM 0 HG21 THR A 46 19.929 17.084 -3.543 1.00 0.00 H new ATOM 0 HG22 THR A 46 18.668 16.530 -2.417 1.00 0.00 H new ATOM 0 HG23 THR A 46 19.895 17.699 -1.873 1.00 0.00 H new ATOM 672 N ILE A 47 20.720 12.889 -0.448 1.00 0.00 N ATOM 673 CA ILE A 47 20.354 11.504 -0.180 1.00 0.00 C ATOM 674 C ILE A 47 19.715 11.364 1.206 1.00 0.00 C ATOM 675 O ILE A 47 18.700 10.684 1.339 1.00 0.00 O ATOM 676 CB ILE A 47 21.565 10.582 -0.408 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.663 10.121 -1.868 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.597 9.367 0.518 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.544 9.194 -2.366 1.00 0.00 C ATOM 0 H ILE A 47 21.712 13.036 -0.633 1.00 0.00 H new ATOM 0 HA ILE A 47 19.588 11.183 -0.886 1.00 0.00 H new ATOM 0 HB ILE A 47 22.432 11.195 -0.164 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.684 11.005 -2.505 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.616 9.609 -2.002 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.479 8.765 0.298 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.635 9.701 1.555 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.700 8.767 0.363 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.722 8.937 -3.410 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.531 8.285 -1.765 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.584 9.702 -2.276 1.00 0.00 H new ATOM 691 N SER A 48 20.265 12.016 2.235 1.00 0.00 N ATOM 692 CA SER A 48 19.641 12.013 3.554 1.00 0.00 C ATOM 693 C SER A 48 18.233 12.601 3.470 1.00 0.00 C ATOM 694 O SER A 48 17.308 12.043 4.046 1.00 0.00 O ATOM 695 CB SER A 48 20.480 12.760 4.594 1.00 0.00 C ATOM 696 OG SER A 48 21.778 12.213 4.678 1.00 0.00 O ATOM 0 H SER A 48 21.134 12.547 2.178 1.00 0.00 H new ATOM 0 HA SER A 48 19.577 10.977 3.885 1.00 0.00 H new ATOM 0 HB2 SER A 48 20.542 13.815 4.328 1.00 0.00 H new ATOM 0 HB3 SER A 48 19.994 12.705 5.568 1.00 0.00 H new ATOM 0 HG SER A 48 22.303 12.495 3.900 1.00 0.00 H new ATOM 702 N ARG A 49 18.058 13.702 2.734 1.00 0.00 N ATOM 703 CA ARG A 49 16.737 14.275 2.474 1.00 0.00 C ATOM 704 C ARG A 49 15.772 13.204 1.947 1.00 0.00 C ATOM 705 O ARG A 49 14.647 13.089 2.437 1.00 0.00 O ATOM 706 CB ARG A 49 16.854 15.459 1.493 1.00 0.00 C ATOM 707 CG ARG A 49 16.356 16.813 2.026 1.00 0.00 C ATOM 708 CD ARG A 49 16.916 17.211 3.399 1.00 0.00 C ATOM 709 NE ARG A 49 18.337 16.866 3.530 1.00 0.00 N ATOM 710 CZ ARG A 49 19.043 16.949 4.661 1.00 0.00 C ATOM 711 NH1 ARG A 49 18.524 17.521 5.753 1.00 0.00 N ATOM 712 NH2 ARG A 49 20.276 16.441 4.674 1.00 0.00 N ATOM 0 H ARG A 49 18.825 14.218 2.304 1.00 0.00 H new ATOM 0 HA ARG A 49 16.328 14.651 3.412 1.00 0.00 H new ATOM 0 HB2 ARG A 49 17.899 15.565 1.202 1.00 0.00 H new ATOM 0 HB3 ARG A 49 16.295 15.216 0.590 1.00 0.00 H new ATOM 0 HG2 ARG A 49 16.615 17.589 1.305 1.00 0.00 H new ATOM 0 HG3 ARG A 49 15.268 16.785 2.087 1.00 0.00 H new ATOM 0 HD2 ARG A 49 16.787 18.283 3.547 1.00 0.00 H new ATOM 0 HD3 ARG A 49 16.347 16.711 4.182 1.00 0.00 H new ATOM 0 HE ARG A 49 18.822 16.538 2.694 1.00 0.00 H new ATOM 0 HH11 ARG A 49 17.578 17.901 5.729 1.00 0.00 H new ATOM 0 HH12 ARG A 49 19.075 17.577 6.610 1.00 0.00 H new ATOM 0 HH21 ARG A 49 20.656 16.004 3.835 1.00 0.00 H new ATOM 0 HH22 ARG A 49 20.839 16.490 5.523 1.00 0.00 H new ATOM 726 N PHE A 50 16.210 12.418 0.958 1.00 0.00 N ATOM 727 CA PHE A 50 15.402 11.340 0.402 1.00 0.00 C ATOM 728 C PHE A 50 15.096 10.271 1.446 1.00 0.00 C ATOM 729 O PHE A 50 13.941 9.927 1.666 1.00 0.00 O ATOM 730 CB PHE A 50 16.126 10.678 -0.772 1.00 0.00 C ATOM 731 CG PHE A 50 15.315 9.590 -1.459 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.998 9.846 -1.887 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.854 8.300 -1.615 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.259 8.849 -2.548 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.098 7.295 -2.240 1.00 0.00 C ATOM 736 CZ PHE A 50 13.817 7.577 -2.741 1.00 0.00 C ATOM 0 H PHE A 50 17.129 12.514 0.526 1.00 0.00 H new ATOM 0 HA PHE A 50 14.466 11.786 0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 50 16.385 11.442 -1.505 1.00 0.00 H new ATOM 0 HB3 PHE A 50 17.062 10.249 -0.414 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.553 10.813 -1.707 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.849 8.083 -1.254 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.263 9.063 -2.907 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.504 6.299 -2.336 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.264 6.817 -3.273 1.00 0.00 H new ATOM 746 N GLU A 51 16.140 9.728 2.070 1.00 0.00 N ATOM 747 CA GLU A 51 16.038 8.647 3.051 1.00 0.00 C ATOM 748 C GLU A 51 15.302 9.063 4.331 1.00 0.00 C ATOM 749 O GLU A 51 14.739 8.208 5.012 1.00 0.00 O ATOM 750 CB GLU A 51 17.427 8.053 3.320 1.00 0.00 C ATOM 751 CG GLU A 51 17.820 7.078 2.192 1.00 0.00 C ATOM 752 CD GLU A 51 19.333 6.910 2.042 1.00 0.00 C ATOM 753 OE1 GLU A 51 20.064 7.312 2.974 1.00 0.00 O ATOM 754 OE2 GLU A 51 19.743 6.381 0.987 1.00 0.00 O ATOM 0 H GLU A 51 17.099 10.033 1.905 1.00 0.00 H new ATOM 0 HA GLU A 51 15.414 7.862 2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.164 8.853 3.392 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.428 7.532 4.277 1.00 0.00 H new ATOM 0 HG2 GLU A 51 17.370 6.105 2.389 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.405 7.436 1.250 1.00 0.00 H new ATOM 761 N ALA A 52 15.262 10.360 4.644 1.00 0.00 N ATOM 762 CA ALA A 52 14.414 10.917 5.692 1.00 0.00 C ATOM 763 C ALA A 52 12.997 11.195 5.170 1.00 0.00 C ATOM 764 O ALA A 52 12.122 11.566 5.948 1.00 0.00 O ATOM 765 CB ALA A 52 15.049 12.206 6.220 1.00 0.00 C ATOM 0 H ALA A 52 15.828 11.061 4.167 1.00 0.00 H new ATOM 0 HA ALA A 52 14.331 10.191 6.500 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.419 12.627 7.004 1.00 0.00 H new ATOM 0 HB2 ALA A 52 16.036 11.985 6.627 1.00 0.00 H new ATOM 0 HB3 ALA A 52 15.144 12.925 5.406 1.00 0.00 H new ATOM 771 N LEU A 53 12.780 11.054 3.858 1.00 0.00 N ATOM 772 CA LEU A 53 11.546 11.357 3.150 1.00 0.00 C ATOM 773 C LEU A 53 11.090 12.779 3.478 1.00 0.00 C ATOM 774 O LEU A 53 9.915 13.051 3.712 1.00 0.00 O ATOM 775 CB LEU A 53 10.494 10.261 3.384 1.00 0.00 C ATOM 776 CG LEU A 53 10.805 8.971 2.593 1.00 0.00 C ATOM 777 CD1 LEU A 53 11.801 8.065 3.321 1.00 0.00 C ATOM 778 CD2 LEU A 53 9.511 8.170 2.409 1.00 0.00 C ATOM 0 H LEU A 53 13.506 10.705 3.232 1.00 0.00 H new ATOM 0 HA LEU A 53 11.715 11.346 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.445 10.029 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.512 10.635 3.093 1.00 0.00 H new ATOM 0 HG LEU A 53 11.238 9.278 1.641 1.00 0.00 H new ATOM 0 HD11 LEU A 53 11.985 7.173 2.723 1.00 0.00 H new ATOM 0 HD12 LEU A 53 12.738 8.601 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 53 11.390 7.775 4.288 1.00 0.00 H new ATOM 0 HD21 LEU A 53 9.724 7.258 1.851 1.00 0.00 H new ATOM 0 HD22 LEU A 53 9.101 7.911 3.385 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.786 8.771 1.859 1.00 0.00 H new ATOM 790 N ASN A 54 12.056 13.700 3.461 1.00 0.00 N ATOM 791 CA ASN A 54 11.845 15.091 3.830 1.00 0.00 C ATOM 792 C ASN A 54 11.201 15.870 2.685 1.00 0.00 C ATOM 793 O ASN A 54 10.407 16.777 2.919 1.00 0.00 O ATOM 794 CB ASN A 54 13.185 15.709 4.235 1.00 0.00 C ATOM 795 CG ASN A 54 13.063 17.207 4.493 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.576 18.015 3.727 1.00 0.00 O ATOM 797 ND2 ASN A 54 12.395 17.592 5.576 1.00 0.00 N ATOM 0 H ASN A 54 13.016 13.493 3.187 1.00 0.00 H new ATOM 0 HA ASN A 54 11.159 15.140 4.676 1.00 0.00 H new ATOM 0 HB2 ASN A 54 13.557 15.215 5.133 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.919 15.534 3.448 1.00 0.00 H new ATOM 0 HD21 ASN A 54 12.298 18.585 5.789 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.980 16.895 6.194 1.00 0.00 H new ATOM 804 N LEU A 55 11.528 15.519 1.439 1.00 0.00 N ATOM 805 CA LEU A 55 11.118 16.263 0.248 1.00 0.00 C ATOM 806 C LEU A 55 9.658 15.980 -0.154 1.00 0.00 C ATOM 807 O LEU A 55 9.355 15.795 -1.336 1.00 0.00 O ATOM 808 CB LEU A 55 12.105 15.967 -0.893 1.00 0.00 C ATOM 809 CG LEU A 55 13.549 16.405 -0.611 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.434 15.993 -1.794 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.674 17.916 -0.389 1.00 0.00 C ATOM 0 H LEU A 55 12.094 14.697 1.227 1.00 0.00 H new ATOM 0 HA LEU A 55 11.149 17.329 0.476 1.00 0.00 H new ATOM 0 HB2 LEU A 55 12.096 14.896 -1.096 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.757 16.466 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 55 13.869 15.915 0.308 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.462 16.300 -1.603 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.395 14.911 -1.918 1.00 0.00 H new ATOM 0 HD13 LEU A 55 14.074 16.475 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.716 18.170 -0.194 1.00 0.00 H new ATOM 0 HD22 LEU A 55 13.332 18.444 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 55 13.063 18.210 0.464 1.00 0.00 H new ATOM 823 N SER A 56 8.745 16.000 0.826 1.00 0.00 N ATOM 824 CA SER A 56 7.300 15.876 0.683 1.00 0.00 C ATOM 825 C SER A 56 6.867 14.544 0.053 1.00 0.00 C ATOM 826 O SER A 56 6.359 13.666 0.746 1.00 0.00 O ATOM 827 CB SER A 56 6.741 17.105 -0.052 1.00 0.00 C ATOM 828 OG SER A 56 5.340 17.017 -0.218 1.00 0.00 O ATOM 0 H SER A 56 9.021 16.111 1.802 1.00 0.00 H new ATOM 0 HA SER A 56 6.863 15.854 1.681 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.986 18.008 0.508 1.00 0.00 H new ATOM 0 HB3 SER A 56 7.219 17.195 -1.027 1.00 0.00 H new ATOM 0 HG SER A 56 5.015 17.814 -0.687 1.00 0.00 H new ATOM 834 N PHE A 57 7.026 14.426 -1.264 1.00 0.00 N ATOM 835 CA PHE A 57 6.542 13.336 -2.103 1.00 0.00 C ATOM 836 C PHE A 57 6.879 13.678 -3.553 1.00 0.00 C ATOM 837 O PHE A 57 7.426 12.858 -4.286 1.00 0.00 O ATOM 838 CB PHE A 57 5.028 13.126 -1.948 1.00 0.00 C ATOM 839 CG PHE A 57 4.477 12.071 -2.888 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.793 10.717 -2.673 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.738 12.442 -4.028 1.00 0.00 C ATOM 842 CE1 PHE A 57 4.348 9.736 -3.575 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.297 11.460 -4.933 1.00 0.00 C ATOM 844 CZ PHE A 57 3.597 10.106 -4.703 1.00 0.00 C ATOM 0 H PHE A 57 7.526 15.132 -1.804 1.00 0.00 H new ATOM 0 HA PHE A 57 7.024 12.407 -1.799 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.810 12.838 -0.920 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.515 14.070 -2.130 1.00 0.00 H new ATOM 0 HD1 PHE A 57 5.379 10.431 -1.812 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.510 13.482 -4.208 1.00 0.00 H new ATOM 0 HE1 PHE A 57 4.584 8.696 -3.401 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.728 11.746 -5.805 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.250 9.351 -5.393 1.00 0.00 H new ATOM 854 N LYS A 58 6.556 14.916 -3.945 1.00 0.00 N ATOM 855 CA LYS A 58 6.709 15.445 -5.295 1.00 0.00 C ATOM 856 C LYS A 58 8.018 15.013 -5.962 1.00 0.00 C ATOM 857 O LYS A 58 8.011 14.462 -7.060 1.00 0.00 O ATOM 858 CB LYS A 58 6.536 16.974 -5.265 1.00 0.00 C ATOM 859 CG LYS A 58 7.556 17.722 -4.386 1.00 0.00 C ATOM 860 CD LYS A 58 7.097 19.137 -3.998 1.00 0.00 C ATOM 861 CE LYS A 58 6.947 20.097 -5.189 1.00 0.00 C ATOM 862 NZ LYS A 58 5.653 19.944 -5.879 1.00 0.00 N ATOM 0 H LYS A 58 6.165 15.601 -3.299 1.00 0.00 H new ATOM 0 HA LYS A 58 5.926 15.017 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.608 17.354 -6.284 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.532 17.205 -4.909 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.738 17.144 -3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.505 17.788 -4.918 1.00 0.00 H new ATOM 0 HD2 LYS A 58 6.141 19.068 -3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.813 19.559 -3.293 1.00 0.00 H new ATOM 0 HE2 LYS A 58 7.049 21.124 -4.838 1.00 0.00 H new ATOM 0 HE3 LYS A 58 7.756 19.920 -5.898 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 5.321 20.874 -6.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 5.768 19.312 -6.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 4.956 19.538 -5.223 1.00 0.00 H new ATOM 876 N ASN A 59 9.148 15.264 -5.295 1.00 0.00 N ATOM 877 CA ASN A 59 10.456 14.908 -5.822 1.00 0.00 C ATOM 878 C ASN A 59 10.672 13.409 -5.664 1.00 0.00 C ATOM 879 O ASN A 59 10.923 12.703 -6.637 1.00 0.00 O ATOM 880 CB ASN A 59 11.538 15.692 -5.076 1.00 0.00 C ATOM 881 CG ASN A 59 12.919 15.433 -5.668 1.00 0.00 C ATOM 882 OD1 ASN A 59 13.786 14.877 -5.007 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.144 15.836 -6.915 1.00 0.00 N ATOM 0 H ASN A 59 9.176 15.717 -4.381 1.00 0.00 H new ATOM 0 HA ASN A 59 10.512 15.160 -6.881 1.00 0.00 H new ATOM 0 HB2 ASN A 59 11.315 16.758 -5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.533 15.411 -4.023 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.057 15.684 -7.343 1.00 0.00 H new ATOM 0 HD22 ASN A 59 12.403 16.297 -7.443 1.00 0.00 H new ATOM 890 N MET A 60 10.556 12.952 -4.415 1.00 0.00 N ATOM 891 CA MET A 60 10.746 11.580 -3.950 1.00 0.00 C ATOM 892 C MET A 60 10.201 10.551 -4.946 1.00 0.00 C ATOM 893 O MET A 60 10.882 9.589 -5.300 1.00 0.00 O ATOM 894 CB MET A 60 10.056 11.429 -2.593 1.00 0.00 C ATOM 895 CG MET A 60 10.756 12.232 -1.492 1.00 0.00 C ATOM 896 SD MET A 60 9.759 12.593 -0.030 1.00 0.00 S ATOM 897 CE MET A 60 9.027 10.969 0.224 1.00 0.00 C ATOM 0 H MET A 60 10.309 13.578 -3.648 1.00 0.00 H new ATOM 0 HA MET A 60 11.815 11.387 -3.857 1.00 0.00 H new ATOM 0 HB2 MET A 60 9.020 11.757 -2.676 1.00 0.00 H new ATOM 0 HB3 MET A 60 10.035 10.376 -2.314 1.00 0.00 H new ATOM 0 HG2 MET A 60 11.644 11.684 -1.177 1.00 0.00 H new ATOM 0 HG3 MET A 60 11.098 13.175 -1.918 1.00 0.00 H new ATOM 0 HE1 MET A 60 8.532 10.941 1.195 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.298 10.772 -0.562 1.00 0.00 H new ATOM 0 HE3 MET A 60 9.808 10.209 0.193 1.00 0.00 H new ATOM 907 N CYS A 61 8.966 10.767 -5.392 1.00 0.00 N ATOM 908 CA CYS A 61 8.270 9.887 -6.317 1.00 0.00 C ATOM 909 C CYS A 61 9.026 9.703 -7.635 1.00 0.00 C ATOM 910 O CYS A 61 9.118 8.586 -8.136 1.00 0.00 O ATOM 911 CB CYS A 61 6.864 10.437 -6.561 1.00 0.00 C ATOM 912 SG CYS A 61 6.002 9.354 -7.720 1.00 0.00 S ATOM 0 H CYS A 61 8.413 11.577 -5.112 1.00 0.00 H new ATOM 0 HA CYS A 61 8.208 8.897 -5.866 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.315 10.496 -5.621 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.920 11.449 -6.962 1.00 0.00 H new ATOM 0 HG CYS A 61 4.804 9.812 -7.933 1.00 0.00 H new ATOM 917 N LYS A 62 9.594 10.782 -8.183 1.00 0.00 N ATOM 918 CA LYS A 62 10.429 10.728 -9.381 1.00 0.00 C ATOM 919 C LYS A 62 11.827 10.212 -9.020 1.00 0.00 C ATOM 920 O LYS A 62 12.471 9.507 -9.796 1.00 0.00 O ATOM 921 CB LYS A 62 10.481 12.126 -10.014 1.00 0.00 C ATOM 922 CG LYS A 62 11.216 12.116 -11.359 1.00 0.00 C ATOM 923 CD LYS A 62 11.140 13.500 -12.009 1.00 0.00 C ATOM 924 CE LYS A 62 11.899 13.508 -13.341 1.00 0.00 C ATOM 925 NZ LYS A 62 11.838 14.830 -13.986 1.00 0.00 N ATOM 0 H LYS A 62 9.485 11.722 -7.803 1.00 0.00 H new ATOM 0 HA LYS A 62 10.005 10.036 -10.109 1.00 0.00 H new ATOM 0 HB2 LYS A 62 9.466 12.498 -10.157 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.980 12.815 -9.332 1.00 0.00 H new ATOM 0 HG2 LYS A 62 12.258 11.832 -11.211 1.00 0.00 H new ATOM 0 HG3 LYS A 62 10.773 11.371 -12.019 1.00 0.00 H new ATOM 0 HD2 LYS A 62 10.098 13.774 -12.175 1.00 0.00 H new ATOM 0 HD3 LYS A 62 11.563 14.248 -11.338 1.00 0.00 H new ATOM 0 HE2 LYS A 62 12.940 13.233 -13.170 1.00 0.00 H new ATOM 0 HE3 LYS A 62 11.476 12.756 -14.007 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 12.361 14.802 -14.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 10.846 15.081 -14.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 12.264 15.542 -13.359 1.00 0.00 H new ATOM 939 N LEU A 63 12.296 10.572 -7.826 1.00 0.00 N ATOM 940 CA LEU A 63 13.571 10.154 -7.269 1.00 0.00 C ATOM 941 C LEU A 63 13.689 8.625 -7.285 1.00 0.00 C ATOM 942 O LEU A 63 14.680 8.086 -7.776 1.00 0.00 O ATOM 943 CB LEU A 63 13.691 10.721 -5.843 1.00 0.00 C ATOM 944 CG LEU A 63 14.989 11.475 -5.567 1.00 0.00 C ATOM 945 CD1 LEU A 63 14.938 12.175 -4.207 1.00 0.00 C ATOM 946 CD2 LEU A 63 16.175 10.515 -5.626 1.00 0.00 C ATOM 0 H LEU A 63 11.775 11.186 -7.201 1.00 0.00 H new ATOM 0 HA LEU A 63 14.391 10.541 -7.874 1.00 0.00 H new ATOM 0 HB2 LEU A 63 12.851 11.391 -5.661 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.604 9.900 -5.131 1.00 0.00 H new ATOM 0 HG LEU A 63 15.112 12.239 -6.335 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.875 12.705 -4.035 1.00 0.00 H new ATOM 0 HD12 LEU A 63 14.112 12.886 -4.194 1.00 0.00 H new ATOM 0 HD13 LEU A 63 14.791 11.434 -3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 63 17.096 11.062 -5.428 1.00 0.00 H new ATOM 0 HD22 LEU A 63 16.049 9.734 -4.876 1.00 0.00 H new ATOM 0 HD23 LEU A 63 16.228 10.062 -6.616 1.00 0.00 H new ATOM 958 N LYS A 64 12.675 7.925 -6.761 1.00 0.00 N ATOM 959 CA LYS A 64 12.674 6.469 -6.650 1.00 0.00 C ATOM 960 C LYS A 64 13.130 5.748 -7.928 1.00 0.00 C ATOM 961 O LYS A 64 14.156 5.069 -7.887 1.00 0.00 O ATOM 962 CB LYS A 64 11.320 5.986 -6.118 1.00 0.00 C ATOM 963 CG LYS A 64 11.191 4.454 -6.121 1.00 0.00 C ATOM 964 CD LYS A 64 10.051 3.920 -5.238 1.00 0.00 C ATOM 965 CE LYS A 64 8.649 4.023 -5.857 1.00 0.00 C ATOM 966 NZ LYS A 64 8.156 5.408 -5.955 1.00 0.00 N ATOM 0 H LYS A 64 11.827 8.361 -6.400 1.00 0.00 H new ATOM 0 HA LYS A 64 13.436 6.192 -5.921 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.181 6.356 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.522 6.414 -6.725 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.033 4.115 -7.145 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.132 4.020 -5.783 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.252 2.875 -5.003 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.056 4.465 -4.294 1.00 0.00 H new ATOM 0 HE2 LYS A 64 8.665 3.579 -6.852 1.00 0.00 H new ATOM 0 HE3 LYS A 64 7.951 3.438 -5.258 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 7.116 5.405 -5.983 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 8.479 5.951 -5.129 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.524 5.847 -6.823 1.00 0.00 H new ATOM 980 N PRO A 65 12.416 5.846 -9.064 1.00 0.00 N ATOM 981 CA PRO A 65 12.818 5.172 -10.285 1.00 0.00 C ATOM 982 C PRO A 65 14.208 5.614 -10.748 1.00 0.00 C ATOM 983 O PRO A 65 14.952 4.787 -11.267 1.00 0.00 O ATOM 984 CB PRO A 65 11.727 5.462 -11.322 1.00 0.00 C ATOM 985 CG PRO A 65 11.059 6.730 -10.799 1.00 0.00 C ATOM 986 CD PRO A 65 11.184 6.578 -9.284 1.00 0.00 C ATOM 0 HA PRO A 65 12.910 4.097 -10.128 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.149 5.612 -12.316 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.018 4.638 -11.398 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.560 7.629 -11.158 1.00 0.00 H new ATOM 0 HG3 PRO A 65 10.018 6.798 -11.114 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.214 7.551 -8.794 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.330 6.040 -8.873 1.00 0.00 H new ATOM 994 N LEU A 66 14.584 6.887 -10.550 1.00 0.00 N ATOM 995 CA LEU A 66 15.900 7.359 -10.972 1.00 0.00 C ATOM 996 C LEU A 66 16.930 6.541 -10.188 1.00 0.00 C ATOM 997 O LEU A 66 17.840 5.958 -10.777 1.00 0.00 O ATOM 998 CB LEU A 66 16.089 8.854 -10.643 1.00 0.00 C ATOM 999 CG LEU A 66 16.137 9.777 -11.867 1.00 0.00 C ATOM 1000 CD1 LEU A 66 14.747 9.869 -12.503 1.00 0.00 C ATOM 1001 CD2 LEU A 66 16.604 11.178 -11.456 1.00 0.00 C ATOM 0 H LEU A 66 14.000 7.595 -10.106 1.00 0.00 H new ATOM 0 HA LEU A 66 16.013 7.240 -12.050 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.274 9.175 -9.994 1.00 0.00 H new ATOM 0 HB3 LEU A 66 17.013 8.974 -10.078 1.00 0.00 H new ATOM 0 HG LEU A 66 16.841 9.364 -12.589 1.00 0.00 H new ATOM 0 HD11 LEU A 66 14.787 10.526 -13.372 1.00 0.00 H new ATOM 0 HD12 LEU A 66 14.423 8.876 -12.814 1.00 0.00 H new ATOM 0 HD13 LEU A 66 14.040 10.271 -11.777 1.00 0.00 H new ATOM 0 HD21 LEU A 66 16.634 11.824 -12.334 1.00 0.00 H new ATOM 0 HD22 LEU A 66 15.911 11.592 -10.724 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.600 11.115 -11.018 1.00 0.00 H new ATOM 1013 N LEU A 67 16.790 6.491 -8.860 1.00 0.00 N ATOM 1014 CA LEU A 67 17.688 5.739 -8.007 1.00 0.00 C ATOM 1015 C LEU A 67 17.651 4.249 -8.340 1.00 0.00 C ATOM 1016 O LEU A 67 18.685 3.592 -8.317 1.00 0.00 O ATOM 1017 CB LEU A 67 17.343 5.960 -6.534 1.00 0.00 C ATOM 1018 CG LEU A 67 17.568 7.386 -6.012 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.762 7.334 -4.495 1.00 0.00 C ATOM 1020 CD2 LEU A 67 18.768 8.118 -6.622 1.00 0.00 C ATOM 0 H LEU A 67 16.047 6.974 -8.355 1.00 0.00 H new ATOM 0 HA LEU A 67 18.699 6.102 -8.189 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.297 5.696 -6.380 1.00 0.00 H new ATOM 0 HB3 LEU A 67 17.938 5.273 -5.932 1.00 0.00 H new ATOM 0 HG LEU A 67 16.682 7.949 -6.306 1.00 0.00 H new ATOM 0 HD11 LEU A 67 17.923 8.343 -4.114 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.874 6.907 -4.029 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.628 6.715 -4.260 1.00 0.00 H new ATOM 0 HD21 LEU A 67 18.843 9.116 -6.190 1.00 0.00 H new ATOM 0 HD22 LEU A 67 19.680 7.561 -6.410 1.00 0.00 H new ATOM 0 HD23 LEU A 67 18.635 8.199 -7.701 1.00 0.00 H new ATOM 1032 N GLU A 68 16.473 3.700 -8.637 1.00 0.00 N ATOM 1033 CA GLU A 68 16.330 2.295 -8.982 1.00 0.00 C ATOM 1034 C GLU A 68 17.137 1.976 -10.244 1.00 0.00 C ATOM 1035 O GLU A 68 17.952 1.054 -10.250 1.00 0.00 O ATOM 1036 CB GLU A 68 14.840 1.963 -9.134 1.00 0.00 C ATOM 1037 CG GLU A 68 14.588 0.454 -9.182 1.00 0.00 C ATOM 1038 CD GLU A 68 13.093 0.160 -9.132 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.580 0.027 -7.999 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.488 0.103 -10.224 1.00 0.00 O ATOM 0 H GLU A 68 15.596 4.220 -8.644 1.00 0.00 H new ATOM 0 HA GLU A 68 16.731 1.667 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.286 2.396 -8.301 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.458 2.423 -10.045 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.016 0.037 -10.093 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.088 -0.031 -8.344 1.00 0.00 H new ATOM 1047 N LYS A 69 16.934 2.753 -11.310 1.00 0.00 N ATOM 1048 CA LYS A 69 17.664 2.582 -12.559 1.00 0.00 C ATOM 1049 C LYS A 69 19.161 2.806 -12.330 1.00 0.00 C ATOM 1050 O LYS A 69 19.991 2.026 -12.801 1.00 0.00 O ATOM 1051 CB LYS A 69 17.099 3.536 -13.616 1.00 0.00 C ATOM 1052 CG LYS A 69 15.683 3.123 -14.037 1.00 0.00 C ATOM 1053 CD LYS A 69 15.097 4.173 -14.988 1.00 0.00 C ATOM 1054 CE LYS A 69 13.641 3.860 -15.355 1.00 0.00 C ATOM 1055 NZ LYS A 69 13.517 2.583 -16.079 1.00 0.00 N ATOM 0 H LYS A 69 16.258 3.517 -11.327 1.00 0.00 H new ATOM 0 HA LYS A 69 17.540 1.562 -12.924 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.082 4.552 -13.221 1.00 0.00 H new ATOM 0 HB3 LYS A 69 17.753 3.544 -14.488 1.00 0.00 H new ATOM 0 HG2 LYS A 69 15.709 2.150 -14.527 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.047 3.021 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 69 15.151 5.156 -14.521 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.699 4.218 -15.896 1.00 0.00 H new ATOM 0 HE2 LYS A 69 13.038 3.822 -14.448 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.241 4.666 -15.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 12.531 2.450 -16.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 14.137 2.596 -16.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 13.795 1.801 -15.453 1.00 0.00 H new ATOM 1069 N TRP A 70 19.508 3.847 -11.567 1.00 0.00 N ATOM 1070 CA TRP A 70 20.879 4.092 -11.144 1.00 0.00 C ATOM 1071 C TRP A 70 21.451 2.835 -10.485 1.00 0.00 C ATOM 1072 O TRP A 70 22.574 2.444 -10.783 1.00 0.00 O ATOM 1073 CB TRP A 70 20.934 5.299 -10.201 1.00 0.00 C ATOM 1074 CG TRP A 70 22.278 5.617 -9.624 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.110 6.582 -10.063 1.00 0.00 C ATOM 1076 CD2 TRP A 70 22.971 4.969 -8.514 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.268 6.565 -9.317 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.258 5.563 -8.368 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.640 3.938 -7.612 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.185 5.117 -7.412 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.562 3.474 -6.659 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.840 4.044 -6.576 1.00 0.00 C ATOM 0 H TRP A 70 18.841 4.541 -11.228 1.00 0.00 H new ATOM 0 HA TRP A 70 21.492 4.325 -12.014 1.00 0.00 H new ATOM 0 HB2 TRP A 70 20.576 6.175 -10.742 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.239 5.126 -9.379 1.00 0.00 H new ATOM 0 HD1 TRP A 70 22.901 7.263 -10.874 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.042 7.216 -9.450 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.656 3.495 -7.654 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.150 5.593 -7.321 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 23.285 2.675 -5.987 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.559 3.657 -5.869 1.00 0.00 H new ATOM 1093 N LEU A 71 20.687 2.192 -9.597 1.00 0.00 N ATOM 1094 CA LEU A 71 21.146 1.002 -8.898 1.00 0.00 C ATOM 1095 C LEU A 71 21.353 -0.125 -9.901 1.00 0.00 C ATOM 1096 O LEU A 71 22.389 -0.782 -9.876 1.00 0.00 O ATOM 1097 CB LEU A 71 20.170 0.583 -7.782 1.00 0.00 C ATOM 1098 CG LEU A 71 20.827 0.600 -6.392 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.770 0.265 -5.334 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.985 -0.402 -6.287 1.00 0.00 C ATOM 0 H LEU A 71 19.742 2.484 -9.348 1.00 0.00 H new ATOM 0 HA LEU A 71 22.096 1.228 -8.413 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.311 1.254 -7.783 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.792 -0.418 -7.990 1.00 0.00 H new ATOM 0 HG LEU A 71 21.237 1.597 -6.228 1.00 0.00 H new ATOM 0 HD11 LEU A 71 20.229 0.275 -4.345 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.971 1.005 -5.371 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.357 -0.724 -5.532 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.418 -0.354 -5.288 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.613 -1.409 -6.473 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.748 -0.155 -7.025 1.00 0.00 H new ATOM 1112 N ASN A 72 20.382 -0.329 -10.796 1.00 0.00 N ATOM 1113 CA ASN A 72 20.476 -1.326 -11.856 1.00 0.00 C ATOM 1114 C ASN A 72 21.759 -1.130 -12.667 1.00 0.00 C ATOM 1115 O ASN A 72 22.396 -2.109 -13.047 1.00 0.00 O ATOM 1116 CB ASN A 72 19.236 -1.260 -12.760 1.00 0.00 C ATOM 1117 CG ASN A 72 18.996 -2.521 -13.597 1.00 0.00 C ATOM 1118 OD1 ASN A 72 17.849 -2.854 -13.875 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.029 -3.248 -14.020 1.00 0.00 N ATOM 0 H ASN A 72 19.508 0.196 -10.802 1.00 0.00 H new ATOM 0 HA ASN A 72 20.515 -2.316 -11.402 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.358 -1.078 -12.140 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.335 -0.407 -13.431 1.00 0.00 H new ATOM 0 HD21 ASN A 72 19.868 -4.086 -14.578 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.981 -2.966 -13.786 1.00 0.00 H new ATOM 1126 N ASP A 73 22.119 0.123 -12.959 1.00 0.00 N ATOM 1127 CA ASP A 73 23.344 0.444 -13.680 1.00 0.00 C ATOM 1128 C ASP A 73 24.589 0.174 -12.824 1.00 0.00 C ATOM 1129 O ASP A 73 25.503 -0.527 -13.248 1.00 0.00 O ATOM 1130 CB ASP A 73 23.293 1.907 -14.139 1.00 0.00 C ATOM 1131 CG ASP A 73 24.589 2.323 -14.827 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.704 2.041 -16.039 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.438 2.919 -14.129 1.00 0.00 O ATOM 0 H ASP A 73 21.566 0.940 -12.700 1.00 0.00 H new ATOM 0 HA ASP A 73 23.417 -0.203 -14.554 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.456 2.046 -14.823 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.113 2.553 -13.280 1.00 0.00 H new ATOM 1138 N ALA A 74 24.642 0.777 -11.636 1.00 0.00 N ATOM 1139 CA ALA A 74 25.830 0.823 -10.794 1.00 0.00 C ATOM 1140 C ALA A 74 26.136 -0.520 -10.128 1.00 0.00 C ATOM 1141 O ALA A 74 27.290 -0.938 -10.074 1.00 0.00 O ATOM 1142 CB ALA A 74 25.652 1.920 -9.740 1.00 0.00 C ATOM 0 H ALA A 74 23.840 1.257 -11.226 1.00 0.00 H new ATOM 0 HA ALA A 74 26.685 1.049 -11.431 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.537 1.961 -9.105 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.515 2.881 -10.235 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.777 1.699 -9.129 1.00 0.00 H new ATOM 1148 N GLU A 75 25.112 -1.164 -9.559 1.00 0.00 N ATOM 1149 CA GLU A 75 25.213 -2.365 -8.739 1.00 0.00 C ATOM 1150 C GLU A 75 26.468 -2.387 -7.865 1.00 0.00 C ATOM 1151 O GLU A 75 26.428 -2.928 -6.760 1.00 0.00 O ATOM 1152 CB GLU A 75 25.126 -3.625 -9.614 1.00 0.00 C ATOM 1153 CG GLU A 75 23.726 -3.824 -10.216 1.00 0.00 C ATOM 1154 CD GLU A 75 22.640 -4.049 -9.162 1.00 0.00 C ATOM 1155 OE1 GLU A 75 23.001 -4.472 -8.041 1.00 0.00 O ATOM 1156 OE2 GLU A 75 21.460 -3.804 -9.496 1.00 0.00 O ATOM 0 H GLU A 75 24.149 -0.844 -9.665 1.00 0.00 H new ATOM 0 HA GLU A 75 24.365 -2.352 -8.055 1.00 0.00 H new ATOM 0 HB2 GLU A 75 25.858 -3.557 -10.419 1.00 0.00 H new ATOM 0 HB3 GLU A 75 25.389 -4.498 -9.017 1.00 0.00 H new ATOM 0 HG2 GLU A 75 23.467 -2.950 -10.813 1.00 0.00 H new ATOM 0 HG3 GLU A 75 23.747 -4.678 -10.893 1.00 0.00 H new TER 1163 GLU A 75