USER MOD reduce.3.24.130724 H: found=0, std=0, add=583, rem=0, adj=17 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 38 TYR OH : rot 33:sc= 0.99 USER MOD Set 1.2: A 69 LYS NZ :NH3+ 170:sc= 0.483 (180deg=0.118) USER MOD Set 2.1: A 27 GLN : amide:sc= 1.48 K(o=2.4,f=-5.1!) USER MOD Set 2.2: A 44 GLN : amide:sc= 0.929 K(o=2.4,f=-5.5) USER MOD Set 3.1: A 11 GLN : amide:sc= 1.16 K(o=0.86,f=-0.57) USER MOD Set 3.2: A 14 LYS NZ :NH3+ -166:sc= -0.308 (180deg=-0.659) USER MOD Single : A 15 THR OG1 : rot 78:sc= 1.24 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.2) USER MOD Single : A 22 LYS NZ :NH3+ -157:sc= 0.97 (180deg=0.272) USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.714 USER MOD Single : A 34 MET CE :methyl 178:sc= -1.68 (180deg=-1.72) USER MOD Single : A 36 LYS NZ :NH3+ 170:sc= -0.0158 (180deg=-0.14) USER MOD Single : A 40 ASN : amide:sc= 0.0893 X(o=0.089,f=-0.22) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00441 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.0549 USER MOD Single : A 46 THR OG1 : rot 169:sc= 1.32 USER MOD Single : A 48 SER OG : rot -17:sc= 2.24 USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 56 SER OG : rot 55:sc= 0.553 USER MOD Single : A 58 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.0192) USER MOD Single : A 59 ASN : amide:sc= -0.0075 K(o=-0.0075,f=-1.3) USER MOD Single : A 60 MET CE :methyl -171:sc= -2.25 (180deg=-3.2) USER MOD Single : A 61 CYS SG : rot -27:sc= 0.167 USER MOD Single : A 62 LYS NZ :NH3+ 171:sc=-0.00732 (180deg=-0.122) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 ASN : amide:sc= -0.122 X(o=-0.12,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 5 3.857 4.862 -3.124 1.00 0.00 N ATOM 2 CA ASP A 5 3.297 5.411 -1.904 1.00 0.00 C ATOM 3 C ASP A 5 4.428 5.698 -0.916 1.00 0.00 C ATOM 4 O ASP A 5 5.548 5.216 -1.097 1.00 0.00 O ATOM 5 CB ASP A 5 2.243 4.459 -1.322 1.00 0.00 C ATOM 6 CG ASP A 5 2.826 3.110 -0.907 1.00 0.00 C ATOM 7 OD1 ASP A 5 3.656 3.110 0.028 1.00 0.00 O ATOM 8 OD2 ASP A 5 2.428 2.099 -1.523 1.00 0.00 O ATOM 0 HA ASP A 5 2.788 6.351 -2.117 1.00 0.00 H new ATOM 0 HB2 ASP A 5 1.775 4.928 -0.457 1.00 0.00 H new ATOM 0 HB3 ASP A 5 1.458 4.298 -2.061 1.00 0.00 H new ATOM 15 N LEU A 6 4.137 6.488 0.119 1.00 0.00 N ATOM 16 CA LEU A 6 5.136 6.947 1.071 1.00 0.00 C ATOM 17 C LEU A 6 5.854 5.771 1.731 1.00 0.00 C ATOM 18 O LEU A 6 7.072 5.799 1.862 1.00 0.00 O ATOM 19 CB LEU A 6 4.509 7.887 2.109 1.00 0.00 C ATOM 20 CG LEU A 6 4.304 9.309 1.556 1.00 0.00 C ATOM 21 CD1 LEU A 6 3.102 9.417 0.607 1.00 0.00 C ATOM 22 CD2 LEU A 6 4.103 10.284 2.721 1.00 0.00 C ATOM 0 H LEU A 6 3.195 6.826 0.317 1.00 0.00 H new ATOM 0 HA LEU A 6 5.889 7.516 0.525 1.00 0.00 H new ATOM 0 HB2 LEU A 6 3.549 7.482 2.431 1.00 0.00 H new ATOM 0 HB3 LEU A 6 5.148 7.930 2.991 1.00 0.00 H new ATOM 0 HG LEU A 6 5.197 9.557 0.983 1.00 0.00 H new ATOM 0 HD11 LEU A 6 3.010 10.443 0.251 1.00 0.00 H new ATOM 0 HD12 LEU A 6 3.248 8.750 -0.243 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.193 9.135 1.138 1.00 0.00 H new ATOM 0 HD21 LEU A 6 3.958 11.292 2.331 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.226 9.988 3.296 1.00 0.00 H new ATOM 0 HD23 LEU A 6 4.982 10.267 3.365 1.00 0.00 H new ATOM 34 N GLU A 7 5.117 4.733 2.129 1.00 0.00 N ATOM 35 CA GLU A 7 5.693 3.552 2.756 1.00 0.00 C ATOM 36 C GLU A 7 6.762 2.942 1.841 1.00 0.00 C ATOM 37 O GLU A 7 7.909 2.758 2.247 1.00 0.00 O ATOM 38 CB GLU A 7 4.606 2.520 3.113 1.00 0.00 C ATOM 39 CG GLU A 7 3.373 3.122 3.811 1.00 0.00 C ATOM 40 CD GLU A 7 2.290 3.557 2.822 1.00 0.00 C ATOM 41 OE1 GLU A 7 2.367 4.720 2.363 1.00 0.00 O ATOM 42 OE2 GLU A 7 1.416 2.715 2.526 1.00 0.00 O ATOM 0 H GLU A 7 4.103 4.692 2.024 1.00 0.00 H new ATOM 0 HA GLU A 7 6.167 3.853 3.690 1.00 0.00 H new ATOM 0 HB2 GLU A 7 4.284 2.017 2.201 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.041 1.759 3.761 1.00 0.00 H new ATOM 0 HG2 GLU A 7 2.956 2.388 4.501 1.00 0.00 H new ATOM 0 HG3 GLU A 7 3.681 3.981 4.407 1.00 0.00 H new ATOM 49 N GLU A 8 6.381 2.655 0.594 1.00 0.00 N ATOM 50 CA GLU A 8 7.278 2.099 -0.409 1.00 0.00 C ATOM 51 C GLU A 8 8.471 3.026 -0.650 1.00 0.00 C ATOM 52 O GLU A 8 9.603 2.555 -0.736 1.00 0.00 O ATOM 53 CB GLU A 8 6.516 1.837 -1.712 1.00 0.00 C ATOM 54 CG GLU A 8 5.525 0.672 -1.561 1.00 0.00 C ATOM 55 CD GLU A 8 4.764 0.379 -2.854 1.00 0.00 C ATOM 56 OE1 GLU A 8 4.923 1.167 -3.812 1.00 0.00 O ATOM 57 OE2 GLU A 8 4.050 -0.647 -2.863 1.00 0.00 O ATOM 0 H GLU A 8 5.431 2.805 0.254 1.00 0.00 H new ATOM 0 HA GLU A 8 7.666 1.150 -0.038 1.00 0.00 H new ATOM 0 HB2 GLU A 8 5.978 2.738 -2.007 1.00 0.00 H new ATOM 0 HB3 GLU A 8 7.224 1.613 -2.510 1.00 0.00 H new ATOM 0 HG2 GLU A 8 6.065 -0.222 -1.251 1.00 0.00 H new ATOM 0 HG3 GLU A 8 4.813 0.905 -0.769 1.00 0.00 H new ATOM 64 N LEU A 9 8.233 4.333 -0.769 1.00 0.00 N ATOM 65 CA LEU A 9 9.298 5.317 -0.926 1.00 0.00 C ATOM 66 C LEU A 9 10.277 5.248 0.250 1.00 0.00 C ATOM 67 O LEU A 9 11.482 5.189 0.025 1.00 0.00 O ATOM 68 CB LEU A 9 8.699 6.725 -1.090 1.00 0.00 C ATOM 69 CG LEU A 9 7.982 6.926 -2.437 1.00 0.00 C ATOM 70 CD1 LEU A 9 7.062 8.151 -2.382 1.00 0.00 C ATOM 71 CD2 LEU A 9 8.988 7.130 -3.570 1.00 0.00 C ATOM 0 H LEU A 9 7.296 4.736 -0.759 1.00 0.00 H new ATOM 0 HA LEU A 9 9.863 5.088 -1.830 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.994 6.909 -0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 9 9.494 7.464 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 9 7.395 6.027 -2.627 1.00 0.00 H new ATOM 0 HD11 LEU A 9 6.564 8.276 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 9 6.314 8.009 -1.602 1.00 0.00 H new ATOM 0 HD13 LEU A 9 7.653 9.040 -2.161 1.00 0.00 H new ATOM 0 HD21 LEU A 9 8.454 7.270 -4.510 1.00 0.00 H new ATOM 0 HD22 LEU A 9 9.595 8.011 -3.363 1.00 0.00 H new ATOM 0 HD23 LEU A 9 9.633 6.255 -3.646 1.00 0.00 H new ATOM 83 N GLU A 10 9.777 5.228 1.490 1.00 0.00 N ATOM 84 CA GLU A 10 10.609 5.116 2.684 1.00 0.00 C ATOM 85 C GLU A 10 11.436 3.836 2.615 1.00 0.00 C ATOM 86 O GLU A 10 12.660 3.882 2.706 1.00 0.00 O ATOM 87 CB GLU A 10 9.753 5.257 3.966 1.00 0.00 C ATOM 88 CG GLU A 10 9.746 4.118 5.001 1.00 0.00 C ATOM 89 CD GLU A 10 11.114 3.809 5.607 1.00 0.00 C ATOM 90 OE1 GLU A 10 11.794 4.773 6.013 1.00 0.00 O ATOM 91 OE2 GLU A 10 11.447 2.603 5.652 1.00 0.00 O ATOM 0 H GLU A 10 8.779 5.290 1.690 1.00 0.00 H new ATOM 0 HA GLU A 10 11.322 5.940 2.727 1.00 0.00 H new ATOM 0 HB2 GLU A 10 10.079 6.162 4.478 1.00 0.00 H new ATOM 0 HB3 GLU A 10 8.722 5.421 3.654 1.00 0.00 H new ATOM 0 HG2 GLU A 10 9.056 4.377 5.804 1.00 0.00 H new ATOM 0 HG3 GLU A 10 9.359 3.215 4.528 1.00 0.00 H new ATOM 98 N GLN A 11 10.766 2.693 2.453 1.00 0.00 N ATOM 99 CA GLN A 11 11.427 1.393 2.401 1.00 0.00 C ATOM 100 C GLN A 11 12.518 1.396 1.329 1.00 0.00 C ATOM 101 O GLN A 11 13.668 1.051 1.601 1.00 0.00 O ATOM 102 CB GLN A 11 10.395 0.288 2.141 1.00 0.00 C ATOM 103 CG GLN A 11 9.448 0.053 3.326 1.00 0.00 C ATOM 104 CD GLN A 11 10.103 -0.738 4.456 1.00 0.00 C ATOM 105 OE1 GLN A 11 10.027 -1.960 4.484 1.00 0.00 O ATOM 106 NE2 GLN A 11 10.745 -0.066 5.407 1.00 0.00 N ATOM 0 H GLN A 11 9.752 2.645 2.355 1.00 0.00 H new ATOM 0 HA GLN A 11 11.902 1.194 3.362 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.807 0.549 1.261 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.917 -0.641 1.912 1.00 0.00 H new ATOM 0 HG2 GLN A 11 9.108 1.015 3.711 1.00 0.00 H new ATOM 0 HG3 GLN A 11 8.564 -0.482 2.979 1.00 0.00 H new ATOM 0 HE21 GLN A 11 10.797 0.952 5.366 1.00 0.00 H new ATOM 0 HE22 GLN A 11 11.185 -0.568 6.178 1.00 0.00 H new ATOM 115 N PHE A 12 12.158 1.804 0.112 1.00 0.00 N ATOM 116 CA PHE A 12 13.085 1.921 -1.000 1.00 0.00 C ATOM 117 C PHE A 12 14.275 2.805 -0.621 1.00 0.00 C ATOM 118 O PHE A 12 15.419 2.387 -0.765 1.00 0.00 O ATOM 119 CB PHE A 12 12.354 2.461 -2.235 1.00 0.00 C ATOM 120 CG PHE A 12 13.292 2.844 -3.361 1.00 0.00 C ATOM 121 CD1 PHE A 12 13.867 1.849 -4.172 1.00 0.00 C ATOM 122 CD2 PHE A 12 13.751 4.170 -3.447 1.00 0.00 C ATOM 123 CE1 PHE A 12 14.901 2.180 -5.065 1.00 0.00 C ATOM 124 CE2 PHE A 12 14.816 4.490 -4.311 1.00 0.00 C ATOM 125 CZ PHE A 12 15.380 3.499 -5.131 1.00 0.00 C ATOM 0 H PHE A 12 11.201 2.064 -0.126 1.00 0.00 H new ATOM 0 HA PHE A 12 13.477 0.933 -1.242 1.00 0.00 H new ATOM 0 HB2 PHE A 12 11.654 1.707 -2.594 1.00 0.00 H new ATOM 0 HB3 PHE A 12 11.765 3.332 -1.949 1.00 0.00 H new ATOM 0 HD1 PHE A 12 13.514 0.830 -4.109 1.00 0.00 H new ATOM 0 HD2 PHE A 12 13.287 4.942 -2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 12 15.328 1.419 -5.701 1.00 0.00 H new ATOM 0 HE2 PHE A 12 15.200 5.499 -4.343 1.00 0.00 H new ATOM 0 HZ PHE A 12 16.180 3.750 -5.811 1.00 0.00 H new ATOM 135 N ALA A 13 14.022 4.023 -0.142 1.00 0.00 N ATOM 136 CA ALA A 13 15.073 4.978 0.176 1.00 0.00 C ATOM 137 C ALA A 13 16.010 4.428 1.254 1.00 0.00 C ATOM 138 O ALA A 13 17.233 4.493 1.124 1.00 0.00 O ATOM 139 CB ALA A 13 14.446 6.304 0.606 1.00 0.00 C ATOM 0 H ALA A 13 13.080 4.372 0.035 1.00 0.00 H new ATOM 0 HA ALA A 13 15.677 5.150 -0.715 1.00 0.00 H new ATOM 0 HB1 ALA A 13 15.234 7.019 0.844 1.00 0.00 H new ATOM 0 HB2 ALA A 13 13.833 6.697 -0.205 1.00 0.00 H new ATOM 0 HB3 ALA A 13 13.824 6.144 1.486 1.00 0.00 H new ATOM 145 N LYS A 14 15.436 3.859 2.313 1.00 0.00 N ATOM 146 CA LYS A 14 16.175 3.188 3.369 1.00 0.00 C ATOM 147 C LYS A 14 17.042 2.077 2.770 1.00 0.00 C ATOM 148 O LYS A 14 18.219 1.954 3.104 1.00 0.00 O ATOM 149 CB LYS A 14 15.181 2.656 4.405 1.00 0.00 C ATOM 150 CG LYS A 14 15.901 2.103 5.643 1.00 0.00 C ATOM 151 CD LYS A 14 14.904 1.619 6.703 1.00 0.00 C ATOM 152 CE LYS A 14 14.546 0.131 6.575 1.00 0.00 C ATOM 153 NZ LYS A 14 13.939 -0.201 5.275 1.00 0.00 N ATOM 0 H LYS A 14 14.427 3.854 2.459 1.00 0.00 H new ATOM 0 HA LYS A 14 16.848 3.883 3.871 1.00 0.00 H new ATOM 0 HB2 LYS A 14 14.503 3.455 4.704 1.00 0.00 H new ATOM 0 HB3 LYS A 14 14.571 1.872 3.957 1.00 0.00 H new ATOM 0 HG2 LYS A 14 16.551 1.278 5.349 1.00 0.00 H new ATOM 0 HG3 LYS A 14 16.540 2.876 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 14 15.323 1.800 7.693 1.00 0.00 H new ATOM 0 HD3 LYS A 14 13.992 2.211 6.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 15.446 -0.468 6.714 1.00 0.00 H new ATOM 0 HE3 LYS A 14 13.856 -0.142 7.373 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 13.505 -1.145 5.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 13.210 0.503 5.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 14.673 -0.196 4.538 1.00 0.00 H new ATOM 167 N THR A 15 16.475 1.276 1.868 1.00 0.00 N ATOM 168 CA THR A 15 17.219 0.218 1.195 1.00 0.00 C ATOM 169 C THR A 15 18.344 0.805 0.337 1.00 0.00 C ATOM 170 O THR A 15 19.456 0.283 0.344 1.00 0.00 O ATOM 171 CB THR A 15 16.273 -0.683 0.391 1.00 0.00 C ATOM 172 OG1 THR A 15 15.251 -1.167 1.238 1.00 0.00 O ATOM 173 CG2 THR A 15 17.004 -1.894 -0.196 1.00 0.00 C ATOM 0 H THR A 15 15.497 1.343 1.587 1.00 0.00 H new ATOM 0 HA THR A 15 17.693 -0.412 1.947 1.00 0.00 H new ATOM 0 HB THR A 15 15.866 -0.083 -0.423 1.00 0.00 H new ATOM 0 HG1 THR A 15 14.586 -0.462 1.384 1.00 0.00 H new ATOM 0 HG21 THR A 15 16.299 -2.507 -0.758 1.00 0.00 H new ATOM 0 HG22 THR A 15 17.798 -1.553 -0.860 1.00 0.00 H new ATOM 0 HG23 THR A 15 17.435 -2.485 0.612 1.00 0.00 H new ATOM 181 N PHE A 16 18.087 1.898 -0.387 1.00 0.00 N ATOM 182 CA PHE A 16 19.102 2.600 -1.155 1.00 0.00 C ATOM 183 C PHE A 16 20.255 2.982 -0.229 1.00 0.00 C ATOM 184 O PHE A 16 21.408 2.669 -0.514 1.00 0.00 O ATOM 185 CB PHE A 16 18.485 3.804 -1.886 1.00 0.00 C ATOM 186 CG PHE A 16 19.483 4.640 -2.664 1.00 0.00 C ATOM 187 CD1 PHE A 16 20.293 5.584 -2.000 1.00 0.00 C ATOM 188 CD2 PHE A 16 19.580 4.500 -4.058 1.00 0.00 C ATOM 189 CE1 PHE A 16 21.246 6.329 -2.719 1.00 0.00 C ATOM 190 CE2 PHE A 16 20.470 5.310 -4.784 1.00 0.00 C ATOM 191 CZ PHE A 16 21.331 6.194 -4.114 1.00 0.00 C ATOM 0 H PHE A 16 17.160 2.318 -0.453 1.00 0.00 H new ATOM 0 HA PHE A 16 19.508 1.952 -1.932 1.00 0.00 H new ATOM 0 HB2 PHE A 16 17.718 3.444 -2.571 1.00 0.00 H new ATOM 0 HB3 PHE A 16 17.986 4.441 -1.156 1.00 0.00 H new ATOM 0 HD1 PHE A 16 20.182 5.736 -0.937 1.00 0.00 H new ATOM 0 HD2 PHE A 16 18.971 3.771 -4.572 1.00 0.00 H new ATOM 0 HE1 PHE A 16 21.911 7.003 -2.199 1.00 0.00 H new ATOM 0 HE2 PHE A 16 20.492 5.252 -5.862 1.00 0.00 H new ATOM 0 HZ PHE A 16 22.057 6.769 -4.670 1.00 0.00 H new ATOM 201 N LYS A 17 19.945 3.622 0.900 1.00 0.00 N ATOM 202 CA LYS A 17 20.936 3.985 1.902 1.00 0.00 C ATOM 203 C LYS A 17 21.710 2.747 2.379 1.00 0.00 C ATOM 204 O LYS A 17 22.941 2.749 2.371 1.00 0.00 O ATOM 205 CB LYS A 17 20.233 4.739 3.039 1.00 0.00 C ATOM 206 CG LYS A 17 21.183 5.208 4.147 1.00 0.00 C ATOM 207 CD LYS A 17 20.387 6.012 5.183 1.00 0.00 C ATOM 208 CE LYS A 17 21.265 6.430 6.365 1.00 0.00 C ATOM 209 NZ LYS A 17 20.481 7.180 7.364 1.00 0.00 N ATOM 0 H LYS A 17 18.994 3.902 1.141 1.00 0.00 H new ATOM 0 HA LYS A 17 21.685 4.651 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 17 19.717 5.605 2.624 1.00 0.00 H new ATOM 0 HB3 LYS A 17 19.471 4.093 3.475 1.00 0.00 H new ATOM 0 HG2 LYS A 17 21.660 4.350 4.622 1.00 0.00 H new ATOM 0 HG3 LYS A 17 21.979 5.822 3.725 1.00 0.00 H new ATOM 0 HD2 LYS A 17 19.965 6.899 4.710 1.00 0.00 H new ATOM 0 HD3 LYS A 17 19.550 5.414 5.544 1.00 0.00 H new ATOM 0 HE2 LYS A 17 21.702 5.546 6.829 1.00 0.00 H new ATOM 0 HE3 LYS A 17 22.092 7.045 6.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 21.098 7.453 8.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 20.085 8.035 6.924 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 19.707 6.582 7.718 1.00 0.00 H new ATOM 223 N GLN A 18 21.011 1.686 2.795 1.00 0.00 N ATOM 224 CA GLN A 18 21.667 0.488 3.311 1.00 0.00 C ATOM 225 C GLN A 18 22.607 -0.103 2.256 1.00 0.00 C ATOM 226 O GLN A 18 23.749 -0.444 2.557 1.00 0.00 O ATOM 227 CB GLN A 18 20.645 -0.506 3.908 1.00 0.00 C ATOM 228 CG GLN A 18 20.230 -1.724 3.060 1.00 0.00 C ATOM 229 CD GLN A 18 21.315 -2.790 2.901 1.00 0.00 C ATOM 230 OE1 GLN A 18 21.617 -3.217 1.792 1.00 0.00 O ATOM 231 NE2 GLN A 18 21.912 -3.239 4.002 1.00 0.00 N ATOM 0 H GLN A 18 19.992 1.636 2.783 1.00 0.00 H new ATOM 0 HA GLN A 18 22.305 0.756 4.153 1.00 0.00 H new ATOM 0 HB2 GLN A 18 21.053 -0.878 4.848 1.00 0.00 H new ATOM 0 HB3 GLN A 18 19.741 0.053 4.152 1.00 0.00 H new ATOM 0 HG2 GLN A 18 19.352 -2.183 3.514 1.00 0.00 H new ATOM 0 HG3 GLN A 18 19.933 -1.377 2.070 1.00 0.00 H new ATOM 0 HE21 GLN A 18 21.644 -2.869 4.914 1.00 0.00 H new ATOM 0 HE22 GLN A 18 22.637 -3.953 3.934 1.00 0.00 H new ATOM 240 N ARG A 19 22.132 -0.212 1.015 1.00 0.00 N ATOM 241 CA ARG A 19 22.901 -0.789 -0.074 1.00 0.00 C ATOM 242 C ARG A 19 24.104 0.098 -0.386 1.00 0.00 C ATOM 243 O ARG A 19 25.217 -0.400 -0.520 1.00 0.00 O ATOM 244 CB ARG A 19 21.996 -1.010 -1.293 1.00 0.00 C ATOM 245 CG ARG A 19 22.731 -1.620 -2.496 1.00 0.00 C ATOM 246 CD ARG A 19 23.409 -2.957 -2.182 1.00 0.00 C ATOM 247 NE ARG A 19 24.023 -3.524 -3.389 1.00 0.00 N ATOM 248 CZ ARG A 19 24.608 -4.728 -3.453 1.00 0.00 C ATOM 249 NH1 ARG A 19 24.626 -5.528 -2.382 1.00 0.00 N ATOM 250 NH2 ARG A 19 25.176 -5.121 -4.596 1.00 0.00 N ATOM 0 H ARG A 19 21.200 0.100 0.742 1.00 0.00 H new ATOM 0 HA ARG A 19 23.289 -1.765 0.218 1.00 0.00 H new ATOM 0 HB2 ARG A 19 21.172 -1.665 -1.010 1.00 0.00 H new ATOM 0 HB3 ARG A 19 21.559 -0.057 -1.589 1.00 0.00 H new ATOM 0 HG2 ARG A 19 22.021 -1.764 -3.311 1.00 0.00 H new ATOM 0 HG3 ARG A 19 23.483 -0.914 -2.849 1.00 0.00 H new ATOM 0 HD2 ARG A 19 24.169 -2.813 -1.414 1.00 0.00 H new ATOM 0 HD3 ARG A 19 22.676 -3.656 -1.778 1.00 0.00 H new ATOM 0 HE ARG A 19 24.003 -2.961 -4.240 1.00 0.00 H new ATOM 0 HH11 ARG A 19 24.193 -5.223 -1.510 1.00 0.00 H new ATOM 0 HH12 ARG A 19 25.073 -6.443 -2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 19 25.162 -4.507 -5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 19 25.624 -6.036 -4.655 1.00 0.00 H new ATOM 264 N ARG A 20 23.896 1.411 -0.476 1.00 0.00 N ATOM 265 CA ARG A 20 24.960 2.388 -0.649 1.00 0.00 C ATOM 266 C ARG A 20 26.059 2.157 0.396 1.00 0.00 C ATOM 267 O ARG A 20 27.240 2.056 0.055 1.00 0.00 O ATOM 268 CB ARG A 20 24.366 3.800 -0.545 1.00 0.00 C ATOM 269 CG ARG A 20 25.441 4.867 -0.744 1.00 0.00 C ATOM 270 CD ARG A 20 24.956 6.261 -0.331 1.00 0.00 C ATOM 271 NE ARG A 20 24.784 6.372 1.124 1.00 0.00 N ATOM 272 CZ ARG A 20 25.786 6.518 2.005 1.00 0.00 C ATOM 273 NH1 ARG A 20 27.064 6.497 1.609 1.00 0.00 N ATOM 274 NH2 ARG A 20 25.497 6.687 3.300 1.00 0.00 N ATOM 0 H ARG A 20 22.966 1.828 -0.429 1.00 0.00 H new ATOM 0 HA ARG A 20 25.416 2.277 -1.633 1.00 0.00 H new ATOM 0 HB2 ARG A 20 23.583 3.924 -1.293 1.00 0.00 H new ATOM 0 HB3 ARG A 20 23.897 3.929 0.431 1.00 0.00 H new ATOM 0 HG2 ARG A 20 26.324 4.604 -0.161 1.00 0.00 H new ATOM 0 HG3 ARG A 20 25.744 4.885 -1.791 1.00 0.00 H new ATOM 0 HD2 ARG A 20 25.672 7.010 -0.670 1.00 0.00 H new ATOM 0 HD3 ARG A 20 24.009 6.478 -0.826 1.00 0.00 H new ATOM 0 HE ARG A 20 23.833 6.335 1.492 1.00 0.00 H new ATOM 0 HH11 ARG A 20 27.290 6.368 0.623 1.00 0.00 H new ATOM 0 HH12 ARG A 20 27.812 6.610 2.293 1.00 0.00 H new ATOM 0 HH21 ARG A 20 24.525 6.704 3.608 1.00 0.00 H new ATOM 0 HH22 ARG A 20 26.249 6.799 3.980 1.00 0.00 H new ATOM 288 N ILE A 21 25.662 2.082 1.670 1.00 0.00 N ATOM 289 CA ILE A 21 26.585 1.833 2.769 1.00 0.00 C ATOM 290 C ILE A 21 27.293 0.491 2.557 1.00 0.00 C ATOM 291 O ILE A 21 28.516 0.431 2.641 1.00 0.00 O ATOM 292 CB ILE A 21 25.852 1.938 4.122 1.00 0.00 C ATOM 293 CG1 ILE A 21 25.448 3.406 4.365 1.00 0.00 C ATOM 294 CG2 ILE A 21 26.739 1.442 5.274 1.00 0.00 C ATOM 295 CD1 ILE A 21 24.440 3.568 5.507 1.00 0.00 C ATOM 0 H ILE A 21 24.691 2.193 1.963 1.00 0.00 H new ATOM 0 HA ILE A 21 27.362 2.598 2.788 1.00 0.00 H new ATOM 0 HB ILE A 21 24.964 1.307 4.088 1.00 0.00 H new ATOM 0 HG12 ILE A 21 26.340 3.990 4.590 1.00 0.00 H new ATOM 0 HG13 ILE A 21 25.021 3.816 3.450 1.00 0.00 H new ATOM 0 HG21 ILE A 21 26.195 1.528 6.215 1.00 0.00 H new ATOM 0 HG22 ILE A 21 27.007 0.399 5.104 1.00 0.00 H new ATOM 0 HG23 ILE A 21 27.645 2.046 5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 21 24.195 4.623 5.629 1.00 0.00 H new ATOM 0 HD12 ILE A 21 23.533 3.010 5.274 1.00 0.00 H new ATOM 0 HD13 ILE A 21 24.873 3.187 6.432 1.00 0.00 H new ATOM 307 N LYS A 22 26.551 -0.578 2.252 1.00 0.00 N ATOM 308 CA LYS A 22 27.125 -1.899 2.010 1.00 0.00 C ATOM 309 C LYS A 22 28.173 -1.857 0.887 1.00 0.00 C ATOM 310 O LYS A 22 29.232 -2.467 1.003 1.00 0.00 O ATOM 311 CB LYS A 22 26.000 -2.902 1.719 1.00 0.00 C ATOM 312 CG LYS A 22 26.449 -4.352 1.471 1.00 0.00 C ATOM 313 CD LYS A 22 26.913 -5.124 2.720 1.00 0.00 C ATOM 314 CE LYS A 22 28.379 -4.949 3.150 1.00 0.00 C ATOM 315 NZ LYS A 22 29.324 -5.104 2.030 1.00 0.00 N ATOM 0 H LYS A 22 25.535 -0.549 2.167 1.00 0.00 H new ATOM 0 HA LYS A 22 27.652 -2.229 2.905 1.00 0.00 H new ATOM 0 HB2 LYS A 22 25.305 -2.895 2.559 1.00 0.00 H new ATOM 0 HB3 LYS A 22 25.448 -2.557 0.845 1.00 0.00 H new ATOM 0 HG2 LYS A 22 25.623 -4.897 1.014 1.00 0.00 H new ATOM 0 HG3 LYS A 22 27.264 -4.343 0.747 1.00 0.00 H new ATOM 0 HD2 LYS A 22 26.278 -4.828 3.555 1.00 0.00 H new ATOM 0 HD3 LYS A 22 26.736 -6.185 2.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 28.507 -3.962 3.594 1.00 0.00 H new ATOM 0 HE3 LYS A 22 28.616 -5.680 3.923 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 30.260 -5.365 2.400 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 28.984 -5.850 1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 29.395 -4.207 1.509 1.00 0.00 H new ATOM 329 N LEU A 23 27.886 -1.132 -0.196 1.00 0.00 N ATOM 330 CA LEU A 23 28.818 -0.921 -1.300 1.00 0.00 C ATOM 331 C LEU A 23 30.006 -0.042 -0.881 1.00 0.00 C ATOM 332 O LEU A 23 31.006 0.015 -1.593 1.00 0.00 O ATOM 333 CB LEU A 23 28.082 -0.279 -2.489 1.00 0.00 C ATOM 334 CG LEU A 23 27.032 -1.181 -3.157 1.00 0.00 C ATOM 335 CD1 LEU A 23 26.146 -0.349 -4.091 1.00 0.00 C ATOM 336 CD2 LEU A 23 27.694 -2.303 -3.965 1.00 0.00 C ATOM 0 H LEU A 23 26.987 -0.670 -0.330 1.00 0.00 H new ATOM 0 HA LEU A 23 29.213 -1.893 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU A 23 27.593 0.633 -2.147 1.00 0.00 H new ATOM 0 HB3 LEU A 23 28.817 0.016 -3.238 1.00 0.00 H new ATOM 0 HG LEU A 23 26.428 -1.628 -2.368 1.00 0.00 H new ATOM 0 HD11 LEU A 23 25.405 -0.995 -4.561 1.00 0.00 H new ATOM 0 HD12 LEU A 23 25.640 0.427 -3.517 1.00 0.00 H new ATOM 0 HD13 LEU A 23 26.763 0.114 -4.861 1.00 0.00 H new ATOM 0 HD21 LEU A 23 26.924 -2.923 -4.425 1.00 0.00 H new ATOM 0 HD22 LEU A 23 28.323 -1.869 -4.742 1.00 0.00 H new ATOM 0 HD23 LEU A 23 28.306 -2.916 -3.303 1.00 0.00 H new ATOM 348 N GLY A 24 29.903 0.672 0.244 1.00 0.00 N ATOM 349 CA GLY A 24 30.885 1.660 0.663 1.00 0.00 C ATOM 350 C GLY A 24 30.896 2.848 -0.295 1.00 0.00 C ATOM 351 O GLY A 24 31.921 3.505 -0.466 1.00 0.00 O ATOM 0 H GLY A 24 29.123 0.574 0.893 1.00 0.00 H new ATOM 0 HA2 GLY A 24 30.656 2.002 1.672 1.00 0.00 H new ATOM 0 HA3 GLY A 24 31.875 1.205 0.697 1.00 0.00 H new ATOM 355 N PHE A 25 29.756 3.130 -0.933 1.00 0.00 N ATOM 356 CA PHE A 25 29.661 4.183 -1.931 1.00 0.00 C ATOM 357 C PHE A 25 29.380 5.498 -1.218 1.00 0.00 C ATOM 358 O PHE A 25 28.275 5.763 -0.752 1.00 0.00 O ATOM 359 CB PHE A 25 28.644 3.803 -3.012 1.00 0.00 C ATOM 360 CG PHE A 25 29.137 2.794 -4.048 1.00 0.00 C ATOM 361 CD1 PHE A 25 30.392 2.153 -3.932 1.00 0.00 C ATOM 362 CD2 PHE A 25 28.348 2.543 -5.184 1.00 0.00 C ATOM 363 CE1 PHE A 25 30.808 1.224 -4.900 1.00 0.00 C ATOM 364 CE2 PHE A 25 28.775 1.628 -6.164 1.00 0.00 C ATOM 365 CZ PHE A 25 29.996 0.953 -6.013 1.00 0.00 C ATOM 0 H PHE A 25 28.880 2.633 -0.768 1.00 0.00 H new ATOM 0 HA PHE A 25 30.600 4.313 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 25 27.757 3.396 -2.526 1.00 0.00 H new ATOM 0 HB3 PHE A 25 28.335 4.710 -3.531 1.00 0.00 H new ATOM 0 HD1 PHE A 25 31.035 2.379 -3.094 1.00 0.00 H new ATOM 0 HD2 PHE A 25 27.406 3.057 -5.306 1.00 0.00 H new ATOM 0 HE1 PHE A 25 31.755 0.717 -4.788 1.00 0.00 H new ATOM 0 HE2 PHE A 25 28.162 1.445 -7.034 1.00 0.00 H new ATOM 0 HZ PHE A 25 30.310 0.228 -6.750 1.00 0.00 H new ATOM 375 N THR A 26 30.427 6.307 -1.094 1.00 0.00 N ATOM 376 CA THR A 26 30.429 7.532 -0.330 1.00 0.00 C ATOM 377 C THR A 26 29.470 8.568 -0.919 1.00 0.00 C ATOM 378 O THR A 26 28.929 8.411 -2.017 1.00 0.00 O ATOM 379 CB THR A 26 31.871 8.064 -0.314 1.00 0.00 C ATOM 380 OG1 THR A 26 32.286 8.321 -1.645 1.00 0.00 O ATOM 381 CG2 THR A 26 32.831 7.049 0.321 1.00 0.00 C ATOM 0 H THR A 26 31.323 6.114 -1.541 1.00 0.00 H new ATOM 0 HA THR A 26 30.081 7.336 0.684 1.00 0.00 H new ATOM 0 HB THR A 26 31.893 8.979 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 26 33.205 8.662 -1.641 1.00 0.00 H new ATOM 0 HG21 THR A 26 33.843 7.454 0.318 1.00 0.00 H new ATOM 0 HG22 THR A 26 32.523 6.850 1.347 1.00 0.00 H new ATOM 0 HG23 THR A 26 32.810 6.121 -0.251 1.00 0.00 H new ATOM 389 N GLN A 27 29.317 9.668 -0.182 1.00 0.00 N ATOM 390 CA GLN A 27 28.664 10.884 -0.632 1.00 0.00 C ATOM 391 C GLN A 27 29.252 11.253 -1.998 1.00 0.00 C ATOM 392 O GLN A 27 28.526 11.496 -2.961 1.00 0.00 O ATOM 393 CB GLN A 27 28.921 12.021 0.376 1.00 0.00 C ATOM 394 CG GLN A 27 28.421 11.770 1.811 1.00 0.00 C ATOM 395 CD GLN A 27 29.357 10.953 2.706 1.00 0.00 C ATOM 396 OE1 GLN A 27 30.355 10.398 2.256 1.00 0.00 O ATOM 397 NE2 GLN A 27 29.042 10.870 3.992 1.00 0.00 N ATOM 0 H GLN A 27 29.658 9.733 0.777 1.00 0.00 H new ATOM 0 HA GLN A 27 27.587 10.732 -0.710 1.00 0.00 H new ATOM 0 HB2 GLN A 27 29.993 12.213 0.413 1.00 0.00 H new ATOM 0 HB3 GLN A 27 28.448 12.928 0.000 1.00 0.00 H new ATOM 0 HG2 GLN A 27 28.242 12.734 2.288 1.00 0.00 H new ATOM 0 HG3 GLN A 27 27.460 11.258 1.757 1.00 0.00 H new ATOM 0 HE21 GLN A 27 28.208 11.339 4.344 1.00 0.00 H new ATOM 0 HE22 GLN A 27 29.634 10.337 4.629 1.00 0.00 H new ATOM 406 N GLY A 28 30.588 11.250 -2.063 1.00 0.00 N ATOM 407 CA GLY A 28 31.354 11.459 -3.277 1.00 0.00 C ATOM 408 C GLY A 28 30.940 10.477 -4.368 1.00 0.00 C ATOM 409 O GLY A 28 30.577 10.908 -5.460 1.00 0.00 O ATOM 0 H GLY A 28 31.175 11.097 -1.243 1.00 0.00 H new ATOM 0 HA2 GLY A 28 31.210 12.480 -3.630 1.00 0.00 H new ATOM 0 HA3 GLY A 28 32.417 11.343 -3.064 1.00 0.00 H new ATOM 413 N ASP A 29 30.994 9.167 -4.090 1.00 0.00 N ATOM 414 CA ASP A 29 30.645 8.154 -5.082 1.00 0.00 C ATOM 415 C ASP A 29 29.257 8.419 -5.664 1.00 0.00 C ATOM 416 O ASP A 29 29.119 8.574 -6.877 1.00 0.00 O ATOM 417 CB ASP A 29 30.708 6.739 -4.492 1.00 0.00 C ATOM 418 CG ASP A 29 30.410 5.694 -5.566 1.00 0.00 C ATOM 419 OD1 ASP A 29 29.209 5.506 -5.860 1.00 0.00 O ATOM 420 OD2 ASP A 29 31.390 5.116 -6.081 1.00 0.00 O ATOM 0 H ASP A 29 31.276 8.789 -3.186 1.00 0.00 H new ATOM 0 HA ASP A 29 31.382 8.219 -5.883 1.00 0.00 H new ATOM 0 HB2 ASP A 29 31.696 6.560 -4.067 1.00 0.00 H new ATOM 0 HB3 ASP A 29 29.989 6.646 -3.678 1.00 0.00 H new ATOM 425 N VAL A 30 28.230 8.462 -4.806 1.00 0.00 N ATOM 426 CA VAL A 30 26.866 8.637 -5.288 1.00 0.00 C ATOM 427 C VAL A 30 26.751 9.971 -6.020 1.00 0.00 C ATOM 428 O VAL A 30 26.246 9.994 -7.136 1.00 0.00 O ATOM 429 CB VAL A 30 25.812 8.450 -4.179 1.00 0.00 C ATOM 430 CG1 VAL A 30 24.393 8.671 -4.726 1.00 0.00 C ATOM 431 CG2 VAL A 30 25.875 7.018 -3.635 1.00 0.00 C ATOM 0 H VAL A 30 28.320 8.379 -3.793 1.00 0.00 H new ATOM 0 HA VAL A 30 26.644 7.844 -6.003 1.00 0.00 H new ATOM 0 HB VAL A 30 26.028 9.177 -3.396 1.00 0.00 H new ATOM 0 HG11 VAL A 30 23.668 8.533 -3.924 1.00 0.00 H new ATOM 0 HG12 VAL A 30 24.309 9.683 -5.121 1.00 0.00 H new ATOM 0 HG13 VAL A 30 24.194 7.953 -5.522 1.00 0.00 H new ATOM 0 HG21 VAL A 30 25.127 6.893 -2.852 1.00 0.00 H new ATOM 0 HG22 VAL A 30 25.676 6.313 -4.442 1.00 0.00 H new ATOM 0 HG23 VAL A 30 26.866 6.828 -3.224 1.00 0.00 H new ATOM 441 N GLY A 31 27.239 11.068 -5.436 1.00 0.00 N ATOM 442 CA GLY A 31 27.232 12.369 -6.091 1.00 0.00 C ATOM 443 C GLY A 31 27.810 12.292 -7.507 1.00 0.00 C ATOM 444 O GLY A 31 27.173 12.719 -8.467 1.00 0.00 O ATOM 0 H GLY A 31 27.647 11.075 -4.501 1.00 0.00 H new ATOM 0 HA2 GLY A 31 26.211 12.749 -6.134 1.00 0.00 H new ATOM 0 HA3 GLY A 31 27.811 13.078 -5.499 1.00 0.00 H new ATOM 448 N LEU A 32 29.013 11.733 -7.638 1.00 0.00 N ATOM 449 CA LEU A 32 29.725 11.628 -8.904 1.00 0.00 C ATOM 450 C LEU A 32 28.925 10.797 -9.897 1.00 0.00 C ATOM 451 O LEU A 32 28.631 11.236 -11.006 1.00 0.00 O ATOM 452 CB LEU A 32 31.096 10.990 -8.655 1.00 0.00 C ATOM 453 CG LEU A 32 31.997 10.911 -9.900 1.00 0.00 C ATOM 454 CD1 LEU A 32 32.346 12.301 -10.447 1.00 0.00 C ATOM 455 CD2 LEU A 32 33.288 10.174 -9.533 1.00 0.00 C ATOM 0 H LEU A 32 29.526 11.335 -6.851 1.00 0.00 H new ATOM 0 HA LEU A 32 29.859 12.623 -9.328 1.00 0.00 H new ATOM 0 HB2 LEU A 32 31.613 11.560 -7.883 1.00 0.00 H new ATOM 0 HB3 LEU A 32 30.949 9.983 -8.264 1.00 0.00 H new ATOM 0 HG LEU A 32 31.452 10.376 -10.678 1.00 0.00 H new ATOM 0 HD11 LEU A 32 32.983 12.197 -11.325 1.00 0.00 H new ATOM 0 HD12 LEU A 32 31.430 12.824 -10.723 1.00 0.00 H new ATOM 0 HD13 LEU A 32 32.873 12.871 -9.682 1.00 0.00 H new ATOM 0 HD21 LEU A 32 33.934 10.113 -10.409 1.00 0.00 H new ATOM 0 HD22 LEU A 32 33.803 10.716 -8.740 1.00 0.00 H new ATOM 0 HD23 LEU A 32 33.047 9.168 -9.189 1.00 0.00 H new ATOM 467 N ALA A 33 28.600 9.572 -9.496 1.00 0.00 N ATOM 468 CA ALA A 33 27.907 8.617 -10.346 1.00 0.00 C ATOM 469 C ALA A 33 26.544 9.164 -10.791 1.00 0.00 C ATOM 470 O ALA A 33 26.206 9.111 -11.974 1.00 0.00 O ATOM 471 CB ALA A 33 27.811 7.280 -9.611 1.00 0.00 C ATOM 0 H ALA A 33 28.813 9.214 -8.565 1.00 0.00 H new ATOM 0 HA ALA A 33 28.469 8.453 -11.265 1.00 0.00 H new ATOM 0 HB1 ALA A 33 27.293 6.556 -10.239 1.00 0.00 H new ATOM 0 HB2 ALA A 33 28.813 6.915 -9.387 1.00 0.00 H new ATOM 0 HB3 ALA A 33 27.258 7.415 -8.681 1.00 0.00 H new ATOM 477 N MET A 34 25.770 9.733 -9.862 1.00 0.00 N ATOM 478 CA MET A 34 24.549 10.457 -10.193 1.00 0.00 C ATOM 479 C MET A 34 24.853 11.563 -11.194 1.00 0.00 C ATOM 480 O MET A 34 24.137 11.709 -12.178 1.00 0.00 O ATOM 481 CB MET A 34 23.900 11.046 -8.934 1.00 0.00 C ATOM 482 CG MET A 34 23.230 9.967 -8.073 1.00 0.00 C ATOM 483 SD MET A 34 21.972 8.943 -8.872 1.00 0.00 S ATOM 484 CE MET A 34 20.900 10.200 -9.574 1.00 0.00 C ATOM 0 H MET A 34 25.975 9.702 -8.863 1.00 0.00 H new ATOM 0 HA MET A 34 23.846 9.754 -10.640 1.00 0.00 H new ATOM 0 HB2 MET A 34 24.657 11.562 -8.344 1.00 0.00 H new ATOM 0 HB3 MET A 34 23.159 11.791 -9.223 1.00 0.00 H new ATOM 0 HG2 MET A 34 24.009 9.308 -7.689 1.00 0.00 H new ATOM 0 HG3 MET A 34 22.773 10.456 -7.213 1.00 0.00 H new ATOM 0 HE1 MET A 34 20.094 9.721 -10.130 1.00 0.00 H new ATOM 0 HE2 MET A 34 20.478 10.807 -8.773 1.00 0.00 H new ATOM 0 HE3 MET A 34 21.477 10.836 -10.246 1.00 0.00 H new ATOM 494 N GLY A 35 25.916 12.329 -10.950 1.00 0.00 N ATOM 495 CA GLY A 35 26.486 13.283 -11.892 1.00 0.00 C ATOM 496 C GLY A 35 26.571 12.706 -13.300 1.00 0.00 C ATOM 497 O GLY A 35 26.016 13.276 -14.235 1.00 0.00 O ATOM 0 H GLY A 35 26.418 12.299 -10.062 1.00 0.00 H new ATOM 0 HA2 GLY A 35 25.878 14.188 -11.906 1.00 0.00 H new ATOM 0 HA3 GLY A 35 27.482 13.573 -11.557 1.00 0.00 H new ATOM 501 N LYS A 36 27.261 11.574 -13.445 1.00 0.00 N ATOM 502 CA LYS A 36 27.426 10.924 -14.739 1.00 0.00 C ATOM 503 C LYS A 36 26.072 10.554 -15.354 1.00 0.00 C ATOM 504 O LYS A 36 25.829 10.843 -16.523 1.00 0.00 O ATOM 505 CB LYS A 36 28.332 9.688 -14.622 1.00 0.00 C ATOM 506 CG LYS A 36 29.740 9.968 -14.071 1.00 0.00 C ATOM 507 CD LYS A 36 30.565 10.889 -14.983 1.00 0.00 C ATOM 508 CE LYS A 36 31.965 11.145 -14.413 1.00 0.00 C ATOM 509 NZ LYS A 36 32.764 9.911 -14.317 1.00 0.00 N ATOM 0 H LYS A 36 27.717 11.087 -12.673 1.00 0.00 H new ATOM 0 HA LYS A 36 27.910 11.636 -15.407 1.00 0.00 H new ATOM 0 HB2 LYS A 36 27.844 8.957 -13.977 1.00 0.00 H new ATOM 0 HB3 LYS A 36 28.427 9.231 -15.607 1.00 0.00 H new ATOM 0 HG2 LYS A 36 29.655 10.423 -13.084 1.00 0.00 H new ATOM 0 HG3 LYS A 36 30.269 9.024 -13.942 1.00 0.00 H new ATOM 0 HD2 LYS A 36 30.651 10.439 -15.972 1.00 0.00 H new ATOM 0 HD3 LYS A 36 30.044 11.838 -15.109 1.00 0.00 H new ATOM 0 HE2 LYS A 36 32.486 11.864 -15.045 1.00 0.00 H new ATOM 0 HE3 LYS A 36 31.876 11.595 -13.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 33.750 10.152 -14.090 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 32.375 9.303 -13.568 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 32.732 9.405 -15.225 1.00 0.00 H new ATOM 523 N LEU A 37 25.204 9.880 -14.594 1.00 0.00 N ATOM 524 CA LEU A 37 23.974 9.323 -15.153 1.00 0.00 C ATOM 525 C LEU A 37 22.866 10.367 -15.363 1.00 0.00 C ATOM 526 O LEU A 37 22.022 10.178 -16.236 1.00 0.00 O ATOM 527 CB LEU A 37 23.470 8.156 -14.292 1.00 0.00 C ATOM 528 CG LEU A 37 24.451 6.981 -14.140 1.00 0.00 C ATOM 529 CD1 LEU A 37 23.720 5.822 -13.454 1.00 0.00 C ATOM 530 CD2 LEU A 37 25.018 6.484 -15.475 1.00 0.00 C ATOM 0 H LEU A 37 25.331 9.709 -13.597 1.00 0.00 H new ATOM 0 HA LEU A 37 24.230 8.953 -16.146 1.00 0.00 H new ATOM 0 HB2 LEU A 37 23.227 8.536 -13.300 1.00 0.00 H new ATOM 0 HB3 LEU A 37 22.543 7.780 -14.725 1.00 0.00 H new ATOM 0 HG LEU A 37 25.294 7.339 -13.549 1.00 0.00 H new ATOM 0 HD11 LEU A 37 24.402 4.979 -13.338 1.00 0.00 H new ATOM 0 HD12 LEU A 37 23.369 6.143 -12.473 1.00 0.00 H new ATOM 0 HD13 LEU A 37 22.868 5.518 -14.062 1.00 0.00 H new ATOM 0 HD21 LEU A 37 25.702 5.655 -15.294 1.00 0.00 H new ATOM 0 HD22 LEU A 37 24.202 6.148 -16.114 1.00 0.00 H new ATOM 0 HD23 LEU A 37 25.554 7.296 -15.967 1.00 0.00 H new ATOM 542 N TYR A 38 22.824 11.429 -14.551 1.00 0.00 N ATOM 543 CA TYR A 38 21.735 12.406 -14.533 1.00 0.00 C ATOM 544 C TYR A 38 22.250 13.814 -14.212 1.00 0.00 C ATOM 545 O TYR A 38 22.058 14.747 -14.987 1.00 0.00 O ATOM 546 CB TYR A 38 20.683 12.015 -13.479 1.00 0.00 C ATOM 547 CG TYR A 38 20.055 10.645 -13.629 1.00 0.00 C ATOM 548 CD1 TYR A 38 20.608 9.550 -12.939 1.00 0.00 C ATOM 549 CD2 TYR A 38 18.823 10.499 -14.293 1.00 0.00 C ATOM 550 CE1 TYR A 38 19.937 8.317 -12.913 1.00 0.00 C ATOM 551 CE2 TYR A 38 18.125 9.280 -14.220 1.00 0.00 C ATOM 552 CZ TYR A 38 18.699 8.183 -13.560 1.00 0.00 C ATOM 553 OH TYR A 38 17.980 7.039 -13.420 1.00 0.00 O ATOM 0 H TYR A 38 23.561 11.635 -13.876 1.00 0.00 H new ATOM 0 HA TYR A 38 21.288 12.410 -15.527 1.00 0.00 H new ATOM 0 HB2 TYR A 38 21.148 12.071 -12.495 1.00 0.00 H new ATOM 0 HB3 TYR A 38 19.887 12.759 -13.498 1.00 0.00 H new ATOM 0 HD1 TYR A 38 21.553 9.659 -12.427 1.00 0.00 H new ATOM 0 HD2 TYR A 38 18.413 11.323 -14.859 1.00 0.00 H new ATOM 0 HE1 TYR A 38 20.372 7.474 -12.397 1.00 0.00 H new ATOM 0 HE2 TYR A 38 17.148 9.189 -14.672 1.00 0.00 H new ATOM 0 HH TYR A 38 18.129 6.666 -12.526 1.00 0.00 H new ATOM 563 N GLY A 39 22.836 13.971 -13.026 1.00 0.00 N ATOM 564 CA GLY A 39 23.200 15.242 -12.426 1.00 0.00 C ATOM 565 C GLY A 39 23.485 14.990 -10.946 1.00 0.00 C ATOM 566 O GLY A 39 22.774 14.223 -10.297 1.00 0.00 O ATOM 0 H GLY A 39 23.079 13.176 -12.435 1.00 0.00 H new ATOM 0 HA2 GLY A 39 24.077 15.661 -12.919 1.00 0.00 H new ATOM 0 HA3 GLY A 39 22.393 15.966 -12.543 1.00 0.00 H new ATOM 570 N ASN A 40 24.531 15.612 -10.395 1.00 0.00 N ATOM 571 CA ASN A 40 25.060 15.280 -9.072 1.00 0.00 C ATOM 572 C ASN A 40 24.236 15.872 -7.925 1.00 0.00 C ATOM 573 O ASN A 40 24.795 16.273 -6.902 1.00 0.00 O ATOM 574 CB ASN A 40 26.533 15.713 -8.984 1.00 0.00 C ATOM 575 CG ASN A 40 26.716 17.218 -9.165 1.00 0.00 C ATOM 576 OD1 ASN A 40 27.052 17.671 -10.252 1.00 0.00 O ATOM 577 ND2 ASN A 40 26.479 18.006 -8.121 1.00 0.00 N ATOM 0 H ASN A 40 25.037 16.366 -10.859 1.00 0.00 H new ATOM 0 HA ASN A 40 24.990 14.199 -8.954 1.00 0.00 H new ATOM 0 HB2 ASN A 40 26.938 15.416 -8.017 1.00 0.00 H new ATOM 0 HB3 ASN A 40 27.108 15.187 -9.746 1.00 0.00 H new ATOM 0 HD21 ASN A 40 26.576 19.017 -8.213 1.00 0.00 H new ATOM 0 HD22 ASN A 40 26.201 17.599 -7.228 1.00 0.00 H new ATOM 584 N ASP A 41 22.907 15.888 -8.040 1.00 0.00 N ATOM 585 CA ASP A 41 22.031 16.558 -7.078 1.00 0.00 C ATOM 586 C ASP A 41 21.788 15.685 -5.842 1.00 0.00 C ATOM 587 O ASP A 41 20.669 15.603 -5.343 1.00 0.00 O ATOM 588 CB ASP A 41 20.726 16.972 -7.778 1.00 0.00 C ATOM 589 CG ASP A 41 19.799 17.787 -6.875 1.00 0.00 C ATOM 590 OD1 ASP A 41 20.331 18.631 -6.120 1.00 0.00 O ATOM 591 OD2 ASP A 41 18.573 17.556 -6.961 1.00 0.00 O ATOM 0 H ASP A 41 22.407 15.435 -8.805 1.00 0.00 H new ATOM 0 HA ASP A 41 22.518 17.462 -6.713 1.00 0.00 H new ATOM 0 HB2 ASP A 41 20.966 17.556 -8.666 1.00 0.00 H new ATOM 0 HB3 ASP A 41 20.202 16.078 -8.116 1.00 0.00 H new ATOM 596 N PHE A 42 22.838 15.026 -5.345 1.00 0.00 N ATOM 597 CA PHE A 42 22.744 13.991 -4.321 1.00 0.00 C ATOM 598 C PHE A 42 23.986 14.018 -3.438 1.00 0.00 C ATOM 599 O PHE A 42 24.431 12.980 -2.952 1.00 0.00 O ATOM 600 CB PHE A 42 22.542 12.621 -4.989 1.00 0.00 C ATOM 601 CG PHE A 42 21.336 12.577 -5.915 1.00 0.00 C ATOM 602 CD1 PHE A 42 20.046 12.400 -5.381 1.00 0.00 C ATOM 603 CD2 PHE A 42 21.477 12.995 -7.252 1.00 0.00 C ATOM 604 CE1 PHE A 42 18.910 12.632 -6.177 1.00 0.00 C ATOM 605 CE2 PHE A 42 20.343 13.266 -8.037 1.00 0.00 C ATOM 606 CZ PHE A 42 19.058 13.077 -7.501 1.00 0.00 C ATOM 0 H PHE A 42 23.795 15.203 -5.652 1.00 0.00 H new ATOM 0 HA PHE A 42 21.883 14.180 -3.680 1.00 0.00 H new ATOM 0 HB2 PHE A 42 23.437 12.365 -5.556 1.00 0.00 H new ATOM 0 HB3 PHE A 42 22.426 11.861 -4.216 1.00 0.00 H new ATOM 0 HD1 PHE A 42 19.928 12.084 -4.355 1.00 0.00 H new ATOM 0 HD2 PHE A 42 22.463 13.108 -7.677 1.00 0.00 H new ATOM 0 HE1 PHE A 42 17.923 12.468 -5.770 1.00 0.00 H new ATOM 0 HE2 PHE A 42 20.459 13.619 -9.051 1.00 0.00 H new ATOM 0 HZ PHE A 42 18.185 13.274 -8.106 1.00 0.00 H new ATOM 616 N SER A 43 24.538 15.213 -3.214 1.00 0.00 N ATOM 617 CA SER A 43 25.704 15.445 -2.377 1.00 0.00 C ATOM 618 C SER A 43 25.334 15.293 -0.897 1.00 0.00 C ATOM 619 O SER A 43 25.366 16.261 -0.143 1.00 0.00 O ATOM 620 CB SER A 43 26.236 16.849 -2.691 1.00 0.00 C ATOM 621 OG SER A 43 26.226 17.059 -4.093 1.00 0.00 O ATOM 0 H SER A 43 24.169 16.070 -3.627 1.00 0.00 H new ATOM 0 HA SER A 43 26.483 14.711 -2.584 1.00 0.00 H new ATOM 0 HB2 SER A 43 25.621 17.601 -2.196 1.00 0.00 H new ATOM 0 HB3 SER A 43 27.249 16.960 -2.304 1.00 0.00 H new ATOM 0 HG SER A 43 26.565 17.957 -4.292 1.00 0.00 H new ATOM 627 N GLN A 44 24.948 14.078 -0.496 1.00 0.00 N ATOM 628 CA GLN A 44 24.455 13.720 0.828 1.00 0.00 C ATOM 629 C GLN A 44 23.080 14.327 1.110 1.00 0.00 C ATOM 630 O GLN A 44 22.130 13.588 1.359 1.00 0.00 O ATOM 631 CB GLN A 44 25.475 14.060 1.924 1.00 0.00 C ATOM 632 CG GLN A 44 25.127 13.345 3.236 1.00 0.00 C ATOM 633 CD GLN A 44 26.223 13.523 4.278 1.00 0.00 C ATOM 634 OE1 GLN A 44 26.896 12.564 4.646 1.00 0.00 O ATOM 635 NE2 GLN A 44 26.425 14.747 4.755 1.00 0.00 N ATOM 0 H GLN A 44 24.975 13.276 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 44 24.325 12.638 0.841 1.00 0.00 H new ATOM 0 HB2 GLN A 44 26.474 13.768 1.600 1.00 0.00 H new ATOM 0 HB3 GLN A 44 25.495 15.138 2.086 1.00 0.00 H new ATOM 0 HG2 GLN A 44 24.187 13.735 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 44 24.976 12.283 3.043 1.00 0.00 H new ATOM 0 HE21 GLN A 44 25.849 15.523 4.429 1.00 0.00 H new ATOM 0 HE22 GLN A 44 27.156 14.910 5.447 1.00 0.00 H new ATOM 644 N THR A 45 22.972 15.658 1.093 1.00 0.00 N ATOM 645 CA THR A 45 21.792 16.402 1.502 1.00 0.00 C ATOM 646 C THR A 45 20.510 15.792 0.932 1.00 0.00 C ATOM 647 O THR A 45 19.706 15.246 1.685 1.00 0.00 O ATOM 648 CB THR A 45 21.985 17.875 1.116 1.00 0.00 C ATOM 649 OG1 THR A 45 23.300 18.250 1.480 1.00 0.00 O ATOM 650 CG2 THR A 45 20.983 18.782 1.835 1.00 0.00 C ATOM 0 H THR A 45 23.733 16.262 0.782 1.00 0.00 H new ATOM 0 HA THR A 45 21.673 16.343 2.584 1.00 0.00 H new ATOM 0 HB THR A 45 21.822 17.987 0.044 1.00 0.00 H new ATOM 0 HG1 THR A 45 23.450 19.189 1.242 1.00 0.00 H new ATOM 0 HG21 THR A 45 21.150 19.817 1.537 1.00 0.00 H new ATOM 0 HG22 THR A 45 19.968 18.487 1.568 1.00 0.00 H new ATOM 0 HG23 THR A 45 21.116 18.689 2.913 1.00 0.00 H new ATOM 658 N THR A 46 20.328 15.829 -0.388 1.00 0.00 N ATOM 659 CA THR A 46 19.136 15.343 -1.064 1.00 0.00 C ATOM 660 C THR A 46 18.828 13.889 -0.695 1.00 0.00 C ATOM 661 O THR A 46 17.674 13.530 -0.477 1.00 0.00 O ATOM 662 CB THR A 46 19.347 15.507 -2.577 1.00 0.00 C ATOM 663 OG1 THR A 46 20.348 16.482 -2.813 1.00 0.00 O ATOM 664 CG2 THR A 46 18.063 15.930 -3.294 1.00 0.00 C ATOM 0 H THR A 46 21.026 16.208 -1.028 1.00 0.00 H new ATOM 0 HA THR A 46 18.271 15.925 -0.745 1.00 0.00 H new ATOM 0 HB THR A 46 19.652 14.538 -2.972 1.00 0.00 H new ATOM 0 HG1 THR A 46 20.612 16.458 -3.757 1.00 0.00 H new ATOM 0 HG21 THR A 46 18.259 16.034 -4.361 1.00 0.00 H new ATOM 0 HG22 THR A 46 17.293 15.174 -3.139 1.00 0.00 H new ATOM 0 HG23 THR A 46 17.720 16.884 -2.894 1.00 0.00 H new ATOM 672 N ILE A 47 19.865 13.051 -0.612 1.00 0.00 N ATOM 673 CA ILE A 47 19.735 11.645 -0.258 1.00 0.00 C ATOM 674 C ILE A 47 19.224 11.512 1.181 1.00 0.00 C ATOM 675 O ILE A 47 18.318 10.723 1.443 1.00 0.00 O ATOM 676 CB ILE A 47 21.070 10.918 -0.531 1.00 0.00 C ATOM 677 CG1 ILE A 47 21.351 10.813 -2.033 1.00 0.00 C ATOM 678 CG2 ILE A 47 21.163 9.539 0.139 1.00 0.00 C ATOM 679 CD1 ILE A 47 20.404 9.904 -2.821 1.00 0.00 C ATOM 0 H ILE A 47 20.827 13.338 -0.792 1.00 0.00 H new ATOM 0 HA ILE A 47 18.989 11.154 -0.882 1.00 0.00 H new ATOM 0 HB ILE A 47 21.843 11.535 -0.073 1.00 0.00 H new ATOM 0 HG12 ILE A 47 21.307 11.813 -2.463 1.00 0.00 H new ATOM 0 HG13 ILE A 47 22.370 10.451 -2.169 1.00 0.00 H new ATOM 0 HG21 ILE A 47 22.126 9.085 -0.095 1.00 0.00 H new ATOM 0 HG22 ILE A 47 21.068 9.652 1.219 1.00 0.00 H new ATOM 0 HG23 ILE A 47 20.361 8.900 -0.231 1.00 0.00 H new ATOM 0 HD11 ILE A 47 20.692 9.902 -3.872 1.00 0.00 H new ATOM 0 HD12 ILE A 47 20.462 8.889 -2.427 1.00 0.00 H new ATOM 0 HD13 ILE A 47 19.383 10.273 -2.726 1.00 0.00 H new ATOM 691 N SER A 48 19.760 12.302 2.115 1.00 0.00 N ATOM 692 CA SER A 48 19.264 12.289 3.482 1.00 0.00 C ATOM 693 C SER A 48 17.822 12.806 3.541 1.00 0.00 C ATOM 694 O SER A 48 16.989 12.195 4.205 1.00 0.00 O ATOM 695 CB SER A 48 20.222 13.014 4.435 1.00 0.00 C ATOM 696 OG SER A 48 20.274 14.405 4.197 1.00 0.00 O ATOM 0 H SER A 48 20.529 12.950 1.947 1.00 0.00 H new ATOM 0 HA SER A 48 19.232 11.258 3.835 1.00 0.00 H new ATOM 0 HB2 SER A 48 19.909 12.836 5.464 1.00 0.00 H new ATOM 0 HB3 SER A 48 21.222 12.593 4.329 1.00 0.00 H new ATOM 0 HG SER A 48 19.901 14.600 3.312 1.00 0.00 H new ATOM 702 N ARG A 49 17.502 13.892 2.824 1.00 0.00 N ATOM 703 CA ARG A 49 16.140 14.418 2.787 1.00 0.00 C ATOM 704 C ARG A 49 15.187 13.345 2.259 1.00 0.00 C ATOM 705 O ARG A 49 14.112 13.130 2.816 1.00 0.00 O ATOM 706 CB ARG A 49 16.017 15.683 1.918 1.00 0.00 C ATOM 707 CG ARG A 49 16.840 16.918 2.314 1.00 0.00 C ATOM 708 CD ARG A 49 16.832 17.226 3.814 1.00 0.00 C ATOM 709 NE ARG A 49 17.829 16.408 4.514 1.00 0.00 N ATOM 710 CZ ARG A 49 17.999 16.350 5.838 1.00 0.00 C ATOM 711 NH1 ARG A 49 17.195 17.031 6.661 1.00 0.00 N ATOM 712 NH2 ARG A 49 18.995 15.602 6.320 1.00 0.00 N ATOM 0 H ARG A 49 18.171 14.420 2.264 1.00 0.00 H new ATOM 0 HA ARG A 49 15.875 14.695 3.807 1.00 0.00 H new ATOM 0 HB2 ARG A 49 16.290 15.414 0.898 1.00 0.00 H new ATOM 0 HB3 ARG A 49 14.967 15.974 1.901 1.00 0.00 H new ATOM 0 HG2 ARG A 49 17.871 16.772 1.990 1.00 0.00 H new ATOM 0 HG3 ARG A 49 16.456 17.784 1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 49 17.043 18.283 3.975 1.00 0.00 H new ATOM 0 HD3 ARG A 49 15.841 17.033 4.225 1.00 0.00 H new ATOM 0 HE ARG A 49 18.446 15.834 3.940 1.00 0.00 H new ATOM 0 HH11 ARG A 49 16.441 17.603 6.280 1.00 0.00 H new ATOM 0 HH12 ARG A 49 17.335 16.978 7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 49 19.605 15.092 5.681 1.00 0.00 H new ATOM 0 HH22 ARG A 49 19.146 15.541 7.327 1.00 0.00 H new ATOM 726 N PHE A 50 15.583 12.680 1.172 1.00 0.00 N ATOM 727 CA PHE A 50 14.841 11.588 0.566 1.00 0.00 C ATOM 728 C PHE A 50 14.580 10.493 1.591 1.00 0.00 C ATOM 729 O PHE A 50 13.437 10.142 1.859 1.00 0.00 O ATOM 730 CB PHE A 50 15.640 11.031 -0.613 1.00 0.00 C ATOM 731 CG PHE A 50 14.994 9.877 -1.352 1.00 0.00 C ATOM 732 CD1 PHE A 50 13.725 10.022 -1.944 1.00 0.00 C ATOM 733 CD2 PHE A 50 15.725 8.691 -1.559 1.00 0.00 C ATOM 734 CE1 PHE A 50 13.172 8.972 -2.696 1.00 0.00 C ATOM 735 CE2 PHE A 50 15.196 7.670 -2.365 1.00 0.00 C ATOM 736 CZ PHE A 50 13.915 7.807 -2.925 1.00 0.00 C ATOM 0 H PHE A 50 16.451 12.896 0.681 1.00 0.00 H new ATOM 0 HA PHE A 50 13.880 11.958 0.210 1.00 0.00 H new ATOM 0 HB2 PHE A 50 15.819 11.839 -1.322 1.00 0.00 H new ATOM 0 HB3 PHE A 50 16.614 10.706 -0.248 1.00 0.00 H new ATOM 0 HD1 PHE A 50 13.175 10.943 -1.820 1.00 0.00 H new ATOM 0 HD2 PHE A 50 16.693 8.567 -1.097 1.00 0.00 H new ATOM 0 HE1 PHE A 50 12.174 9.063 -3.098 1.00 0.00 H new ATOM 0 HE2 PHE A 50 15.775 6.778 -2.555 1.00 0.00 H new ATOM 0 HZ PHE A 50 13.503 7.014 -3.532 1.00 0.00 H new ATOM 746 N GLU A 51 15.652 9.958 2.172 1.00 0.00 N ATOM 747 CA GLU A 51 15.552 8.855 3.121 1.00 0.00 C ATOM 748 C GLU A 51 14.751 9.242 4.371 1.00 0.00 C ATOM 749 O GLU A 51 13.989 8.431 4.888 1.00 0.00 O ATOM 750 CB GLU A 51 16.945 8.276 3.398 1.00 0.00 C ATOM 751 CG GLU A 51 16.884 6.866 4.015 1.00 0.00 C ATOM 752 CD GLU A 51 16.706 6.843 5.532 1.00 0.00 C ATOM 753 OE1 GLU A 51 17.154 7.813 6.182 1.00 0.00 O ATOM 754 OE2 GLU A 51 16.168 5.826 6.020 1.00 0.00 O ATOM 0 H GLU A 51 16.606 10.275 1.999 1.00 0.00 H new ATOM 0 HA GLU A 51 14.969 8.047 2.679 1.00 0.00 H new ATOM 0 HB2 GLU A 51 17.511 8.238 2.467 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.484 8.941 4.072 1.00 0.00 H new ATOM 0 HG2 GLU A 51 16.060 6.319 3.557 1.00 0.00 H new ATOM 0 HG3 GLU A 51 17.800 6.333 3.762 1.00 0.00 H new ATOM 761 N ALA A 52 14.862 10.495 4.821 1.00 0.00 N ATOM 762 CA ALA A 52 14.035 11.038 5.896 1.00 0.00 C ATOM 763 C ALA A 52 12.589 11.314 5.453 1.00 0.00 C ATOM 764 O ALA A 52 11.770 11.739 6.264 1.00 0.00 O ATOM 765 CB ALA A 52 14.686 12.320 6.425 1.00 0.00 C ATOM 0 H ALA A 52 15.534 11.164 4.445 1.00 0.00 H new ATOM 0 HA ALA A 52 13.976 10.288 6.685 1.00 0.00 H new ATOM 0 HB1 ALA A 52 14.076 12.733 7.228 1.00 0.00 H new ATOM 0 HB2 ALA A 52 15.681 12.092 6.806 1.00 0.00 H new ATOM 0 HB3 ALA A 52 14.764 13.048 5.618 1.00 0.00 H new ATOM 771 N LEU A 53 12.272 11.116 4.170 1.00 0.00 N ATOM 772 CA LEU A 53 10.980 11.391 3.556 1.00 0.00 C ATOM 773 C LEU A 53 10.584 12.865 3.692 1.00 0.00 C ATOM 774 O LEU A 53 9.410 13.226 3.646 1.00 0.00 O ATOM 775 CB LEU A 53 9.913 10.403 4.057 1.00 0.00 C ATOM 776 CG LEU A 53 9.127 9.772 2.897 1.00 0.00 C ATOM 777 CD1 LEU A 53 8.141 8.747 3.465 1.00 0.00 C ATOM 778 CD2 LEU A 53 8.320 10.800 2.096 1.00 0.00 C ATOM 0 H LEU A 53 12.946 10.741 3.503 1.00 0.00 H new ATOM 0 HA LEU A 53 11.064 11.223 2.482 1.00 0.00 H new ATOM 0 HB2 LEU A 53 10.392 9.617 4.641 1.00 0.00 H new ATOM 0 HB3 LEU A 53 9.223 10.921 4.724 1.00 0.00 H new ATOM 0 HG LEU A 53 9.857 9.315 2.229 1.00 0.00 H new ATOM 0 HD11 LEU A 53 7.578 8.293 2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 53 8.690 7.973 4.002 1.00 0.00 H new ATOM 0 HD13 LEU A 53 7.453 9.244 4.148 1.00 0.00 H new ATOM 0 HD21 LEU A 53 7.786 10.296 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 53 7.604 11.292 2.754 1.00 0.00 H new ATOM 0 HD23 LEU A 53 8.996 11.544 1.674 1.00 0.00 H new ATOM 790 N ASN A 54 11.576 13.753 3.760 1.00 0.00 N ATOM 791 CA ASN A 54 11.352 15.172 4.003 1.00 0.00 C ATOM 792 C ASN A 54 10.838 15.820 2.722 1.00 0.00 C ATOM 793 O ASN A 54 9.944 16.664 2.748 1.00 0.00 O ATOM 794 CB ASN A 54 12.661 15.817 4.468 1.00 0.00 C ATOM 795 CG ASN A 54 12.571 17.338 4.492 1.00 0.00 C ATOM 796 OD1 ASN A 54 13.249 18.011 3.723 1.00 0.00 O ATOM 797 ND2 ASN A 54 11.744 17.894 5.372 1.00 0.00 N ATOM 0 H ASN A 54 12.559 13.505 3.647 1.00 0.00 H new ATOM 0 HA ASN A 54 10.606 15.314 4.785 1.00 0.00 H new ATOM 0 HB2 ASN A 54 12.911 15.453 5.465 1.00 0.00 H new ATOM 0 HB3 ASN A 54 13.471 15.512 3.805 1.00 0.00 H new ATOM 0 HD21 ASN A 54 11.659 18.909 5.422 1.00 0.00 H new ATOM 0 HD22 ASN A 54 11.194 17.305 5.998 1.00 0.00 H new ATOM 804 N LEU A 55 11.325 15.335 1.578 1.00 0.00 N ATOM 805 CA LEU A 55 10.801 15.704 0.270 1.00 0.00 C ATOM 806 C LEU A 55 9.330 15.276 0.084 1.00 0.00 C ATOM 807 O LEU A 55 8.724 15.613 -0.935 1.00 0.00 O ATOM 808 CB LEU A 55 11.727 15.162 -0.825 1.00 0.00 C ATOM 809 CG LEU A 55 13.139 15.769 -0.797 1.00 0.00 C ATOM 810 CD1 LEU A 55 14.068 14.943 -1.694 1.00 0.00 C ATOM 811 CD2 LEU A 55 13.149 17.230 -1.262 1.00 0.00 C ATOM 0 H LEU A 55 12.099 14.672 1.537 1.00 0.00 H new ATOM 0 HA LEU A 55 10.788 16.791 0.192 1.00 0.00 H new ATOM 0 HB2 LEU A 55 11.804 14.080 -0.720 1.00 0.00 H new ATOM 0 HB3 LEU A 55 11.277 15.357 -1.798 1.00 0.00 H new ATOM 0 HG LEU A 55 13.488 15.747 0.236 1.00 0.00 H new ATOM 0 HD11 LEU A 55 15.069 15.373 -1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 14.107 13.916 -1.330 1.00 0.00 H new ATOM 0 HD13 LEU A 55 13.689 14.952 -2.716 1.00 0.00 H new ATOM 0 HD21 LEU A 55 14.168 17.617 -1.225 1.00 0.00 H new ATOM 0 HD22 LEU A 55 12.775 17.289 -2.284 1.00 0.00 H new ATOM 0 HD23 LEU A 55 12.512 17.825 -0.607 1.00 0.00 H new ATOM 823 N SER A 56 8.745 14.551 1.050 1.00 0.00 N ATOM 824 CA SER A 56 7.314 14.303 1.180 1.00 0.00 C ATOM 825 C SER A 56 6.713 13.380 0.115 1.00 0.00 C ATOM 826 O SER A 56 6.236 12.300 0.450 1.00 0.00 O ATOM 827 CB SER A 56 6.570 15.637 1.317 1.00 0.00 C ATOM 828 OG SER A 56 7.117 16.394 2.386 1.00 0.00 O ATOM 0 H SER A 56 9.286 14.105 1.791 1.00 0.00 H new ATOM 0 HA SER A 56 7.177 13.727 2.095 1.00 0.00 H new ATOM 0 HB2 SER A 56 6.644 16.201 0.387 1.00 0.00 H new ATOM 0 HB3 SER A 56 5.510 15.454 1.496 1.00 0.00 H new ATOM 0 HG SER A 56 8.082 16.499 2.252 1.00 0.00 H new ATOM 834 N PHE A 57 6.701 13.787 -1.158 1.00 0.00 N ATOM 835 CA PHE A 57 6.176 12.952 -2.238 1.00 0.00 C ATOM 836 C PHE A 57 6.581 13.491 -3.610 1.00 0.00 C ATOM 837 O PHE A 57 7.126 12.758 -4.432 1.00 0.00 O ATOM 838 CB PHE A 57 4.648 12.805 -2.154 1.00 0.00 C ATOM 839 CG PHE A 57 4.114 11.775 -3.131 1.00 0.00 C ATOM 840 CD1 PHE A 57 4.273 10.406 -2.846 1.00 0.00 C ATOM 841 CD2 PHE A 57 3.583 12.173 -4.372 1.00 0.00 C ATOM 842 CE1 PHE A 57 3.877 9.437 -3.784 1.00 0.00 C ATOM 843 CE2 PHE A 57 3.194 11.204 -5.314 1.00 0.00 C ATOM 844 CZ PHE A 57 3.336 9.837 -5.018 1.00 0.00 C ATOM 0 H PHE A 57 7.051 14.695 -1.465 1.00 0.00 H new ATOM 0 HA PHE A 57 6.618 11.963 -2.113 1.00 0.00 H new ATOM 0 HB2 PHE A 57 4.368 12.520 -1.140 1.00 0.00 H new ATOM 0 HB3 PHE A 57 4.181 13.769 -2.355 1.00 0.00 H new ATOM 0 HD1 PHE A 57 4.701 10.099 -1.903 1.00 0.00 H new ATOM 0 HD2 PHE A 57 3.474 13.223 -4.601 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.988 8.387 -3.557 1.00 0.00 H new ATOM 0 HE2 PHE A 57 2.786 11.510 -6.266 1.00 0.00 H new ATOM 0 HZ PHE A 57 3.029 9.094 -5.739 1.00 0.00 H new ATOM 854 N LYS A 58 6.293 14.774 -3.856 1.00 0.00 N ATOM 855 CA LYS A 58 6.401 15.395 -5.172 1.00 0.00 C ATOM 856 C LYS A 58 7.713 15.062 -5.891 1.00 0.00 C ATOM 857 O LYS A 58 7.698 14.614 -7.035 1.00 0.00 O ATOM 858 CB LYS A 58 6.137 16.907 -5.067 1.00 0.00 C ATOM 859 CG LYS A 58 7.114 17.670 -4.155 1.00 0.00 C ATOM 860 CD LYS A 58 6.621 19.095 -3.857 1.00 0.00 C ATOM 861 CE LYS A 58 6.407 19.956 -5.110 1.00 0.00 C ATOM 862 NZ LYS A 58 7.628 20.058 -5.930 1.00 0.00 N ATOM 0 H LYS A 58 5.973 15.417 -3.131 1.00 0.00 H new ATOM 0 HA LYS A 58 5.627 14.964 -5.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 6.181 17.340 -6.066 1.00 0.00 H new ATOM 0 HB3 LYS A 58 5.123 17.060 -4.698 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.239 17.125 -3.219 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.094 17.716 -4.630 1.00 0.00 H new ATOM 0 HD2 LYS A 58 5.683 19.036 -3.305 1.00 0.00 H new ATOM 0 HD3 LYS A 58 7.343 19.590 -3.207 1.00 0.00 H new ATOM 0 HE2 LYS A 58 5.603 19.529 -5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 58 6.087 20.954 -4.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 7.452 20.689 -6.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 8.403 20.442 -5.353 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 7.892 19.114 -6.279 1.00 0.00 H new ATOM 876 N ASN A 59 8.848 15.265 -5.215 1.00 0.00 N ATOM 877 CA ASN A 59 10.150 14.913 -5.765 1.00 0.00 C ATOM 878 C ASN A 59 10.357 13.407 -5.644 1.00 0.00 C ATOM 879 O ASN A 59 10.666 12.730 -6.622 1.00 0.00 O ATOM 880 CB ASN A 59 11.254 15.669 -5.016 1.00 0.00 C ATOM 881 CG ASN A 59 12.609 15.582 -5.719 1.00 0.00 C ATOM 882 OD1 ASN A 59 12.751 14.947 -6.756 1.00 0.00 O ATOM 883 ND2 ASN A 59 13.628 16.226 -5.158 1.00 0.00 N ATOM 0 H ASN A 59 8.885 15.674 -4.281 1.00 0.00 H new ATOM 0 HA ASN A 59 10.192 15.194 -6.817 1.00 0.00 H new ATOM 0 HB2 ASN A 59 10.968 16.716 -4.915 1.00 0.00 H new ATOM 0 HB3 ASN A 59 11.346 15.265 -4.008 1.00 0.00 H new ATOM 0 HD21 ASN A 59 14.551 16.197 -5.592 1.00 0.00 H new ATOM 0 HD22 ASN A 59 13.487 16.749 -4.294 1.00 0.00 H new ATOM 890 N MET A 60 10.163 12.902 -4.419 1.00 0.00 N ATOM 891 CA MET A 60 10.377 11.515 -4.010 1.00 0.00 C ATOM 892 C MET A 60 9.950 10.541 -5.108 1.00 0.00 C ATOM 893 O MET A 60 10.700 9.644 -5.480 1.00 0.00 O ATOM 894 CB MET A 60 9.575 11.180 -2.746 1.00 0.00 C ATOM 895 CG MET A 60 9.870 12.016 -1.495 1.00 0.00 C ATOM 896 SD MET A 60 11.139 11.474 -0.329 1.00 0.00 S ATOM 897 CE MET A 60 10.780 9.718 -0.153 1.00 0.00 C ATOM 0 H MET A 60 9.835 13.484 -3.648 1.00 0.00 H new ATOM 0 HA MET A 60 11.444 11.410 -3.814 1.00 0.00 H new ATOM 0 HB2 MET A 60 8.515 11.282 -2.980 1.00 0.00 H new ATOM 0 HB3 MET A 60 9.748 10.132 -2.502 1.00 0.00 H new ATOM 0 HG2 MET A 60 10.143 13.017 -1.830 1.00 0.00 H new ATOM 0 HG3 MET A 60 8.937 12.109 -0.939 1.00 0.00 H new ATOM 0 HE1 MET A 60 11.383 9.302 0.654 1.00 0.00 H new ATOM 0 HE2 MET A 60 9.723 9.584 0.078 1.00 0.00 H new ATOM 0 HE3 MET A 60 11.016 9.203 -1.084 1.00 0.00 H new ATOM 907 N CYS A 61 8.727 10.715 -5.607 1.00 0.00 N ATOM 908 CA CYS A 61 8.109 9.793 -6.552 1.00 0.00 C ATOM 909 C CYS A 61 8.823 9.756 -7.903 1.00 0.00 C ATOM 910 O CYS A 61 8.791 8.737 -8.587 1.00 0.00 O ATOM 911 CB CYS A 61 6.634 10.159 -6.731 1.00 0.00 C ATOM 912 SG CYS A 61 5.810 8.849 -7.671 1.00 0.00 S ATOM 0 H CYS A 61 8.134 11.508 -5.363 1.00 0.00 H new ATOM 0 HA CYS A 61 8.195 8.790 -6.135 1.00 0.00 H new ATOM 0 HB2 CYS A 61 6.156 10.282 -5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 61 6.543 11.111 -7.254 1.00 0.00 H new ATOM 0 HG CYS A 61 6.675 8.256 -8.439 1.00 0.00 H new ATOM 917 N LYS A 62 9.452 10.862 -8.308 1.00 0.00 N ATOM 918 CA LYS A 62 10.244 10.934 -9.530 1.00 0.00 C ATOM 919 C LYS A 62 11.660 10.431 -9.236 1.00 0.00 C ATOM 920 O LYS A 62 12.276 9.718 -10.028 1.00 0.00 O ATOM 921 CB LYS A 62 10.278 12.384 -10.038 1.00 0.00 C ATOM 922 CG LYS A 62 8.904 13.072 -10.076 1.00 0.00 C ATOM 923 CD LYS A 62 7.894 12.329 -10.961 1.00 0.00 C ATOM 924 CE LYS A 62 6.520 13.010 -10.937 1.00 0.00 C ATOM 925 NZ LYS A 62 6.567 14.379 -11.482 1.00 0.00 N ATOM 0 H LYS A 62 9.423 11.740 -7.789 1.00 0.00 H new ATOM 0 HA LYS A 62 9.798 10.309 -10.303 1.00 0.00 H new ATOM 0 HB2 LYS A 62 10.945 12.965 -9.401 1.00 0.00 H new ATOM 0 HB3 LYS A 62 10.705 12.396 -11.041 1.00 0.00 H new ATOM 0 HG2 LYS A 62 8.510 13.143 -9.062 1.00 0.00 H new ATOM 0 HG3 LYS A 62 9.023 14.091 -10.444 1.00 0.00 H new ATOM 0 HD2 LYS A 62 8.265 12.291 -11.985 1.00 0.00 H new ATOM 0 HD3 LYS A 62 7.797 11.299 -10.619 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.812 12.415 -11.514 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.150 13.041 -9.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 5.599 14.744 -11.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 7.099 14.993 -10.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 7.036 14.367 -12.410 1.00 0.00 H new ATOM 939 N LEU A 63 12.174 10.815 -8.071 1.00 0.00 N ATOM 940 CA LEU A 63 13.516 10.511 -7.618 1.00 0.00 C ATOM 941 C LEU A 63 13.742 9.027 -7.327 1.00 0.00 C ATOM 942 O LEU A 63 14.813 8.500 -7.622 1.00 0.00 O ATOM 943 CB LEU A 63 13.921 11.546 -6.559 1.00 0.00 C ATOM 944 CG LEU A 63 14.159 11.142 -5.096 1.00 0.00 C ATOM 945 CD1 LEU A 63 15.441 10.319 -4.926 1.00 0.00 C ATOM 946 CD2 LEU A 63 14.294 12.453 -4.309 1.00 0.00 C ATOM 0 H LEU A 63 11.643 11.366 -7.397 1.00 0.00 H new ATOM 0 HA LEU A 63 14.244 10.633 -8.420 1.00 0.00 H new ATOM 0 HB2 LEU A 63 14.838 12.018 -6.911 1.00 0.00 H new ATOM 0 HB3 LEU A 63 13.148 12.315 -6.554 1.00 0.00 H new ATOM 0 HG LEU A 63 13.335 10.521 -4.744 1.00 0.00 H new ATOM 0 HD11 LEU A 63 15.568 10.056 -3.876 1.00 0.00 H new ATOM 0 HD12 LEU A 63 15.371 9.409 -5.522 1.00 0.00 H new ATOM 0 HD13 LEU A 63 16.297 10.906 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 63 14.466 12.229 -3.256 1.00 0.00 H new ATOM 0 HD22 LEU A 63 15.134 13.027 -4.700 1.00 0.00 H new ATOM 0 HD23 LEU A 63 13.378 13.035 -4.412 1.00 0.00 H new ATOM 958 N LYS A 64 12.729 8.327 -6.817 1.00 0.00 N ATOM 959 CA LYS A 64 12.778 6.877 -6.631 1.00 0.00 C ATOM 960 C LYS A 64 13.230 6.128 -7.893 1.00 0.00 C ATOM 961 O LYS A 64 14.300 5.528 -7.856 1.00 0.00 O ATOM 962 CB LYS A 64 11.480 6.323 -6.022 1.00 0.00 C ATOM 963 CG LYS A 64 11.424 4.785 -6.109 1.00 0.00 C ATOM 964 CD LYS A 64 10.353 4.190 -5.191 1.00 0.00 C ATOM 965 CE LYS A 64 10.221 2.683 -5.429 1.00 0.00 C ATOM 966 NZ LYS A 64 9.257 2.078 -4.494 1.00 0.00 N ATOM 0 H LYS A 64 11.850 8.750 -6.521 1.00 0.00 H new ATOM 0 HA LYS A 64 13.557 6.686 -5.893 1.00 0.00 H new ATOM 0 HB2 LYS A 64 11.406 6.632 -4.979 1.00 0.00 H new ATOM 0 HB3 LYS A 64 10.622 6.749 -6.543 1.00 0.00 H new ATOM 0 HG2 LYS A 64 11.223 4.489 -7.138 1.00 0.00 H new ATOM 0 HG3 LYS A 64 12.397 4.373 -5.843 1.00 0.00 H new ATOM 0 HD2 LYS A 64 10.613 4.378 -4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 64 9.396 4.678 -5.374 1.00 0.00 H new ATOM 0 HE2 LYS A 64 9.900 2.501 -6.455 1.00 0.00 H new ATOM 0 HE3 LYS A 64 11.194 2.207 -5.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 9.188 1.057 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 9.578 2.232 -3.517 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 8.323 2.517 -4.625 1.00 0.00 H new ATOM 980 N PRO A 65 12.461 6.100 -8.996 1.00 0.00 N ATOM 981 CA PRO A 65 12.846 5.349 -10.185 1.00 0.00 C ATOM 982 C PRO A 65 14.207 5.806 -10.718 1.00 0.00 C ATOM 983 O PRO A 65 15.008 4.987 -11.166 1.00 0.00 O ATOM 984 CB PRO A 65 11.710 5.532 -11.198 1.00 0.00 C ATOM 985 CG PRO A 65 10.985 6.789 -10.719 1.00 0.00 C ATOM 986 CD PRO A 65 11.178 6.747 -9.203 1.00 0.00 C ATOM 0 HA PRO A 65 12.978 4.290 -9.965 1.00 0.00 H new ATOM 0 HB2 PRO A 65 12.094 5.655 -12.211 1.00 0.00 H new ATOM 0 HB3 PRO A 65 11.045 4.669 -11.212 1.00 0.00 H new ATOM 0 HG2 PRO A 65 11.413 7.692 -11.155 1.00 0.00 H new ATOM 0 HG3 PRO A 65 9.930 6.774 -10.991 1.00 0.00 H new ATOM 0 HD2 PRO A 65 11.171 7.751 -8.778 1.00 0.00 H new ATOM 0 HD3 PRO A 65 10.375 6.191 -8.720 1.00 0.00 H new ATOM 994 N LEU A 66 14.489 7.109 -10.643 1.00 0.00 N ATOM 995 CA LEU A 66 15.791 7.672 -10.971 1.00 0.00 C ATOM 996 C LEU A 66 16.913 6.971 -10.183 1.00 0.00 C ATOM 997 O LEU A 66 17.841 6.414 -10.782 1.00 0.00 O ATOM 998 CB LEU A 66 15.693 9.201 -10.811 1.00 0.00 C ATOM 999 CG LEU A 66 17.008 9.995 -10.766 1.00 0.00 C ATOM 1000 CD1 LEU A 66 16.875 11.287 -11.581 1.00 0.00 C ATOM 1001 CD2 LEU A 66 17.325 10.394 -9.321 1.00 0.00 C ATOM 0 H LEU A 66 13.807 7.808 -10.348 1.00 0.00 H new ATOM 0 HA LEU A 66 16.074 7.486 -12.007 1.00 0.00 H new ATOM 0 HB2 LEU A 66 15.094 9.588 -11.636 1.00 0.00 H new ATOM 0 HB3 LEU A 66 15.143 9.409 -9.893 1.00 0.00 H new ATOM 0 HG LEU A 66 17.798 9.366 -11.176 1.00 0.00 H new ATOM 0 HD11 LEU A 66 17.813 11.840 -11.541 1.00 0.00 H new ATOM 0 HD12 LEU A 66 16.642 11.041 -12.617 1.00 0.00 H new ATOM 0 HD13 LEU A 66 16.075 11.899 -11.165 1.00 0.00 H new ATOM 0 HD21 LEU A 66 18.258 10.957 -9.295 1.00 0.00 H new ATOM 0 HD22 LEU A 66 16.518 11.012 -8.929 1.00 0.00 H new ATOM 0 HD23 LEU A 66 17.425 9.497 -8.710 1.00 0.00 H new ATOM 1013 N LEU A 67 16.815 6.938 -8.851 1.00 0.00 N ATOM 1014 CA LEU A 67 17.780 6.247 -8.011 1.00 0.00 C ATOM 1015 C LEU A 67 17.737 4.734 -8.215 1.00 0.00 C ATOM 1016 O LEU A 67 18.756 4.069 -8.063 1.00 0.00 O ATOM 1017 CB LEU A 67 17.539 6.572 -6.536 1.00 0.00 C ATOM 1018 CG LEU A 67 17.915 7.995 -6.103 1.00 0.00 C ATOM 1019 CD1 LEU A 67 17.953 8.058 -4.579 1.00 0.00 C ATOM 1020 CD2 LEU A 67 19.260 8.509 -6.634 1.00 0.00 C ATOM 0 H LEU A 67 16.063 7.391 -8.331 1.00 0.00 H new ATOM 0 HA LEU A 67 18.768 6.600 -8.306 1.00 0.00 H new ATOM 0 HB2 LEU A 67 16.484 6.410 -6.314 1.00 0.00 H new ATOM 0 HB3 LEU A 67 18.105 5.865 -5.929 1.00 0.00 H new ATOM 0 HG LEU A 67 17.149 8.639 -6.536 1.00 0.00 H new ATOM 0 HD11 LEU A 67 18.220 9.067 -4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 67 16.972 7.800 -4.180 1.00 0.00 H new ATOM 0 HD13 LEU A 67 18.694 7.352 -4.204 1.00 0.00 H new ATOM 0 HD21 LEU A 67 19.431 9.522 -6.271 1.00 0.00 H new ATOM 0 HD22 LEU A 67 20.062 7.858 -6.285 1.00 0.00 H new ATOM 0 HD23 LEU A 67 19.244 8.512 -7.724 1.00 0.00 H new ATOM 1032 N GLU A 68 16.574 4.166 -8.525 1.00 0.00 N ATOM 1033 CA GLU A 68 16.433 2.737 -8.746 1.00 0.00 C ATOM 1034 C GLU A 68 17.253 2.333 -9.972 1.00 0.00 C ATOM 1035 O GLU A 68 18.031 1.382 -9.918 1.00 0.00 O ATOM 1036 CB GLU A 68 14.947 2.386 -8.880 1.00 0.00 C ATOM 1037 CG GLU A 68 14.687 0.878 -8.795 1.00 0.00 C ATOM 1038 CD GLU A 68 13.191 0.606 -8.685 1.00 0.00 C ATOM 1039 OE1 GLU A 68 12.557 0.471 -9.754 1.00 0.00 O ATOM 1040 OE2 GLU A 68 12.705 0.567 -7.533 1.00 0.00 O ATOM 0 H GLU A 68 15.704 4.688 -8.629 1.00 0.00 H new ATOM 0 HA GLU A 68 16.820 2.173 -7.898 1.00 0.00 H new ATOM 0 HB2 GLU A 68 14.386 2.892 -8.095 1.00 0.00 H new ATOM 0 HB3 GLU A 68 14.573 2.762 -9.832 1.00 0.00 H new ATOM 0 HG2 GLU A 68 15.090 0.382 -9.678 1.00 0.00 H new ATOM 0 HG3 GLU A 68 15.204 0.461 -7.931 1.00 0.00 H new ATOM 1047 N LYS A 69 17.114 3.081 -11.071 1.00 0.00 N ATOM 1048 CA LYS A 69 17.916 2.837 -12.259 1.00 0.00 C ATOM 1049 C LYS A 69 19.400 3.088 -11.969 1.00 0.00 C ATOM 1050 O LYS A 69 20.241 2.300 -12.407 1.00 0.00 O ATOM 1051 CB LYS A 69 17.394 3.659 -13.438 1.00 0.00 C ATOM 1052 CG LYS A 69 16.058 3.093 -13.946 1.00 0.00 C ATOM 1053 CD LYS A 69 15.554 3.826 -15.199 1.00 0.00 C ATOM 1054 CE LYS A 69 14.583 4.971 -14.884 1.00 0.00 C ATOM 1055 NZ LYS A 69 15.161 5.956 -13.958 1.00 0.00 N ATOM 0 H LYS A 69 16.455 3.855 -11.156 1.00 0.00 H new ATOM 0 HA LYS A 69 17.825 1.789 -12.543 1.00 0.00 H new ATOM 0 HB2 LYS A 69 17.263 4.697 -13.134 1.00 0.00 H new ATOM 0 HB3 LYS A 69 18.127 3.653 -14.245 1.00 0.00 H new ATOM 0 HG2 LYS A 69 16.177 2.033 -14.171 1.00 0.00 H new ATOM 0 HG3 LYS A 69 15.310 3.170 -13.157 1.00 0.00 H new ATOM 0 HD2 LYS A 69 16.408 4.224 -15.747 1.00 0.00 H new ATOM 0 HD3 LYS A 69 15.060 3.110 -15.856 1.00 0.00 H new ATOM 0 HE2 LYS A 69 14.300 5.470 -15.811 1.00 0.00 H new ATOM 0 HE3 LYS A 69 13.670 4.561 -14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 14.542 6.790 -13.907 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 15.250 5.533 -13.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 16.101 6.243 -14.299 1.00 0.00 H new ATOM 1069 N TRP A 70 19.733 4.136 -11.199 1.00 0.00 N ATOM 1070 CA TRP A 70 21.105 4.290 -10.715 1.00 0.00 C ATOM 1071 C TRP A 70 21.567 3.008 -10.023 1.00 0.00 C ATOM 1072 O TRP A 70 22.653 2.517 -10.311 1.00 0.00 O ATOM 1073 CB TRP A 70 21.268 5.487 -9.770 1.00 0.00 C ATOM 1074 CG TRP A 70 22.630 5.607 -9.143 1.00 0.00 C ATOM 1075 CD1 TRP A 70 23.648 6.348 -9.624 1.00 0.00 C ATOM 1076 CD2 TRP A 70 23.151 4.965 -7.935 1.00 0.00 C ATOM 1077 NE1 TRP A 70 24.758 6.189 -8.824 1.00 0.00 N ATOM 1078 CE2 TRP A 70 24.518 5.331 -7.774 1.00 0.00 C ATOM 1079 CE3 TRP A 70 22.607 4.110 -6.957 1.00 0.00 C ATOM 1080 CZ2 TRP A 70 25.309 4.849 -6.716 1.00 0.00 C ATOM 1081 CZ3 TRP A 70 23.372 3.658 -5.866 1.00 0.00 C ATOM 1082 CH2 TRP A 70 24.721 4.023 -5.747 1.00 0.00 C ATOM 0 H TRP A 70 19.087 4.869 -10.907 1.00 0.00 H new ATOM 0 HA TRP A 70 21.730 4.483 -11.587 1.00 0.00 H new ATOM 0 HB2 TRP A 70 21.055 6.402 -10.323 1.00 0.00 H new ATOM 0 HB3 TRP A 70 20.523 5.412 -8.978 1.00 0.00 H new ATOM 0 HD1 TRP A 70 23.601 6.972 -10.504 1.00 0.00 H new ATOM 0 HE1 TRP A 70 25.652 6.652 -8.990 1.00 0.00 H new ATOM 0 HE3 TRP A 70 21.578 3.794 -7.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 70 26.355 5.111 -6.651 1.00 0.00 H new ATOM 0 HZ3 TRP A 70 22.918 3.027 -5.116 1.00 0.00 H new ATOM 0 HH2 TRP A 70 25.306 3.669 -4.911 1.00 0.00 H new ATOM 1093 N LEU A 71 20.759 2.470 -9.107 1.00 0.00 N ATOM 1094 CA LEU A 71 21.137 1.309 -8.316 1.00 0.00 C ATOM 1095 C LEU A 71 21.377 0.122 -9.242 1.00 0.00 C ATOM 1096 O LEU A 71 22.394 -0.556 -9.126 1.00 0.00 O ATOM 1097 CB LEU A 71 20.066 0.983 -7.256 1.00 0.00 C ATOM 1098 CG LEU A 71 20.587 1.071 -5.813 1.00 0.00 C ATOM 1099 CD1 LEU A 71 19.438 0.715 -4.863 1.00 0.00 C ATOM 1100 CD2 LEU A 71 21.757 0.118 -5.535 1.00 0.00 C ATOM 0 H LEU A 71 19.828 2.830 -8.897 1.00 0.00 H new ATOM 0 HA LEU A 71 22.059 1.531 -7.780 1.00 0.00 H new ATOM 0 HB2 LEU A 71 19.228 1.670 -7.374 1.00 0.00 H new ATOM 0 HB3 LEU A 71 19.682 -0.021 -7.435 1.00 0.00 H new ATOM 0 HG LEU A 71 20.951 2.087 -5.659 1.00 0.00 H new ATOM 0 HD11 LEU A 71 19.787 0.772 -3.832 1.00 0.00 H new ATOM 0 HD12 LEU A 71 18.616 1.417 -5.007 1.00 0.00 H new ATOM 0 HD13 LEU A 71 19.092 -0.297 -5.074 1.00 0.00 H new ATOM 0 HD21 LEU A 71 22.078 0.229 -4.499 1.00 0.00 H new ATOM 0 HD22 LEU A 71 21.438 -0.910 -5.708 1.00 0.00 H new ATOM 0 HD23 LEU A 71 22.587 0.357 -6.200 1.00 0.00 H new ATOM 1112 N ASN A 72 20.449 -0.113 -10.173 1.00 0.00 N ATOM 1113 CA ASN A 72 20.590 -1.153 -11.184 1.00 0.00 C ATOM 1114 C ASN A 72 21.922 -1.010 -11.925 1.00 0.00 C ATOM 1115 O ASN A 72 22.687 -1.966 -12.012 1.00 0.00 O ATOM 1116 CB ASN A 72 19.406 -1.101 -12.155 1.00 0.00 C ATOM 1117 CG ASN A 72 19.563 -2.119 -13.280 1.00 0.00 C ATOM 1118 OD1 ASN A 72 19.086 -3.244 -13.175 1.00 0.00 O ATOM 1119 ND2 ASN A 72 20.219 -1.736 -14.371 1.00 0.00 N ATOM 0 H ASN A 72 19.579 0.415 -10.243 1.00 0.00 H new ATOM 0 HA ASN A 72 20.589 -2.126 -10.693 1.00 0.00 H new ATOM 0 HB2 ASN A 72 18.480 -1.295 -11.613 1.00 0.00 H new ATOM 0 HB3 ASN A 72 19.324 -0.100 -12.577 1.00 0.00 H new ATOM 0 HD21 ASN A 72 20.336 -2.385 -15.149 1.00 0.00 H new ATOM 0 HD22 ASN A 72 20.605 -0.794 -14.430 1.00 0.00 H new ATOM 1126 N ASP A 73 22.193 0.183 -12.464 1.00 0.00 N ATOM 1127 CA ASP A 73 23.417 0.450 -13.210 1.00 0.00 C ATOM 1128 C ASP A 73 24.662 0.220 -12.344 1.00 0.00 C ATOM 1129 O ASP A 73 25.603 -0.451 -12.758 1.00 0.00 O ATOM 1130 CB ASP A 73 23.381 1.887 -13.746 1.00 0.00 C ATOM 1131 CG ASP A 73 24.647 2.216 -14.530 1.00 0.00 C ATOM 1132 OD1 ASP A 73 24.656 1.915 -15.742 1.00 0.00 O ATOM 1133 OD2 ASP A 73 25.579 2.765 -13.904 1.00 0.00 O ATOM 0 H ASP A 73 21.568 0.986 -12.393 1.00 0.00 H new ATOM 0 HA ASP A 73 23.476 -0.245 -14.047 1.00 0.00 H new ATOM 0 HB2 ASP A 73 22.509 2.017 -14.387 1.00 0.00 H new ATOM 0 HB3 ASP A 73 23.273 2.585 -12.916 1.00 0.00 H new ATOM 1138 N ALA A 74 24.669 0.810 -11.150 1.00 0.00 N ATOM 1139 CA ALA A 74 25.786 0.791 -10.219 1.00 0.00 C ATOM 1140 C ALA A 74 26.045 -0.620 -9.684 1.00 0.00 C ATOM 1141 O ALA A 74 27.188 -0.981 -9.413 1.00 0.00 O ATOM 1142 CB ALA A 74 25.492 1.765 -9.075 1.00 0.00 C ATOM 0 H ALA A 74 23.867 1.331 -10.796 1.00 0.00 H new ATOM 0 HA ALA A 74 26.691 1.102 -10.741 1.00 0.00 H new ATOM 0 HB1 ALA A 74 26.323 1.760 -8.370 1.00 0.00 H new ATOM 0 HB2 ALA A 74 25.364 2.770 -9.477 1.00 0.00 H new ATOM 0 HB3 ALA A 74 24.580 1.460 -8.563 1.00 0.00 H new ATOM 1148 N GLU A 75 24.981 -1.407 -9.496 1.00 0.00 N ATOM 1149 CA GLU A 75 25.029 -2.766 -8.983 1.00 0.00 C ATOM 1150 C GLU A 75 25.881 -2.835 -7.715 1.00 0.00 C ATOM 1151 O GLU A 75 25.436 -3.356 -6.690 1.00 0.00 O ATOM 1152 CB GLU A 75 25.521 -3.719 -10.081 1.00 0.00 C ATOM 1153 CG GLU A 75 25.347 -5.189 -9.677 1.00 0.00 C ATOM 1154 CD GLU A 75 25.827 -6.125 -10.781 1.00 0.00 C ATOM 1155 OE1 GLU A 75 27.050 -6.384 -10.811 1.00 0.00 O ATOM 1156 OE2 GLU A 75 24.965 -6.563 -11.574 1.00 0.00 O ATOM 0 H GLU A 75 24.032 -1.097 -9.707 1.00 0.00 H new ATOM 0 HA GLU A 75 24.026 -3.085 -8.699 1.00 0.00 H new ATOM 0 HB2 GLU A 75 24.971 -3.527 -11.002 1.00 0.00 H new ATOM 0 HB3 GLU A 75 26.572 -3.521 -10.290 1.00 0.00 H new ATOM 0 HG2 GLU A 75 25.905 -5.386 -8.762 1.00 0.00 H new ATOM 0 HG3 GLU A 75 24.298 -5.387 -9.459 1.00 0.00 H new TER 1163 GLU A 75