USER MOD reduce.3.24.130724 H: found=0, std=0, add=1148, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 1153 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 SER OG : rot -160:sc= 0.176 USER MOD Single : A 7 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HE2:sc= 0.699 K(o=0.7,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 1.23 USER MOD Single : A 20 SER OG : rot 178:sc= 0.468 USER MOD Single : A 28 THR OG1 : rot -25:sc= 0.558 USER MOD Single : A 30 SER OG : rot 180:sc= 0.624 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.034) USER MOD Single : A 35 LYS NZ :NH3+ -178:sc= 0.0404 (180deg=0.0375) USER MOD Single : A 39 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 LYS NZ :NH3+ -144:sc= -0.129 (180deg=-1.15) USER MOD Single : A 57 MET CE :methyl -112:sc= -0.05 (180deg=-0.784) USER MOD Single : A 69 ASN : amide:sc= 1.85 K(o=1.9,f=-3.2!) USER MOD Single : A 71 GLN : amide:sc= -0.441 K(o=-0.44,f=-4.6!) USER MOD Single : A 73 TYR OH : rot 158:sc= 1.01 USER MOD Single : A 75 THR OG1 : rot 67:sc= 1.2 USER MOD Single : A 82 MET CE :methyl -176:sc= 0 (180deg=-0.0226) USER MOD Single : A 84 TYR OH : rot 54:sc= 1.22 USER MOD Single : A 85 ASN : amide:sc= 0.907 K(o=0.91,f=0) USER MOD Single : B 3 SER OG : rot -170:sc= 1.1 USER MOD Single : B 7 GLN : amide:sc= 0.874 K(o=0.87,f=-0.036) USER MOD Single : B 17 HIS : no HE2:sc= 0.297 K(o=0.3,f=-3.1!) USER MOD Single : B 18 LYS NZ :NH3+ -154:sc= 0.532 (180deg=0.0654) USER MOD Single : B 19 TYR OH : rot 2:sc= 1.25 USER MOD Single : B 20 SER OG : rot -171:sc= 0.437 USER MOD Single : B 27 HIS : no HD1:sc= -0.315 X(o=-0.32,f=0) USER MOD Single : B 28 THR OG1 : rot 180:sc= 0 USER MOD Single : B 30 SER OG : rot -40:sc= 1.28 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 164:sc= 0.817 (180deg=0.555) USER MOD Single : B 39 GLN : amide:sc=-0.00612 X(o=-0.0061,f=0) USER MOD Single : B 40 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0677) USER MOD Single : B 55 LYS NZ :NH3+ -171:sc= 0.0453 (180deg=-0.0204) USER MOD Single : B 57 MET CE :methyl 157:sc= -0.0423 (180deg=-1.18) USER MOD Single : B 63 ASN : amide:sc= 0.577 K(o=0.58,f=-2.5!) USER MOD Single : B 69 ASN : amide:sc= 1.88 K(o=1.9,f=-3.4!) USER MOD Single : B 71 GLN : amide:sc= -0.578 K(o=-0.58,f=-3.4!) USER MOD Single : B 73 TYR OH : rot 154:sc= 1.1 USER MOD Single : B 75 THR OG1 : rot 69:sc= 1.17 USER MOD Single : B 82 MET CE :methyl 176:sc= 0 (180deg=-0.0101) USER MOD Single : B 84 TYR OH : rot 180:sc= -0.0444 USER MOD Single : B 85 ASN : amide:sc= 0.894 K(o=0.89,f=-0.15) USER MOD ----------------------------------------------------------------- ATOM 20 N ALA A 2 -7.116 -7.281 -9.228 1.00 0.00 N ATOM 21 CA ALA A 2 -6.862 -6.083 -8.437 1.00 0.00 C ATOM 22 C ALA A 2 -7.877 -5.955 -7.298 1.00 0.00 C ATOM 23 O ALA A 2 -8.866 -5.231 -7.396 1.00 0.00 O ATOM 24 CB ALA A 2 -6.866 -4.847 -9.341 1.00 0.00 C ATOM 0 HA ALA A 2 -5.876 -6.164 -7.980 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -6.675 -3.957 -8.741 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -6.089 -4.948 -10.098 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -7.837 -4.755 -9.828 1.00 0.00 H new ATOM 30 N SER A 3 -7.614 -6.685 -6.218 1.00 0.00 N ATOM 31 CA SER A 3 -8.422 -6.775 -5.018 1.00 0.00 C ATOM 32 C SER A 3 -8.615 -5.407 -4.342 1.00 0.00 C ATOM 33 O SER A 3 -7.879 -4.468 -4.646 1.00 0.00 O ATOM 34 CB SER A 3 -7.683 -7.726 -4.071 1.00 0.00 C ATOM 35 OG SER A 3 -6.787 -8.569 -4.774 1.00 0.00 O ATOM 0 H SER A 3 -6.776 -7.264 -6.160 1.00 0.00 H new ATOM 0 HA SER A 3 -9.420 -7.136 -5.269 1.00 0.00 H new ATOM 0 HB2 SER A 3 -7.133 -7.147 -3.329 1.00 0.00 H new ATOM 0 HB3 SER A 3 -8.406 -8.335 -3.528 1.00 0.00 H new ATOM 0 HG SER A 3 -6.575 -9.352 -4.224 1.00 0.00 H new ATOM 41 N PRO A 4 -9.532 -5.293 -3.364 1.00 0.00 N ATOM 42 CA PRO A 4 -9.720 -4.078 -2.581 1.00 0.00 C ATOM 43 C PRO A 4 -8.401 -3.524 -2.033 1.00 0.00 C ATOM 44 O PRO A 4 -8.095 -2.350 -2.236 1.00 0.00 O ATOM 45 CB PRO A 4 -10.702 -4.446 -1.465 1.00 0.00 C ATOM 46 CG PRO A 4 -11.511 -5.583 -2.087 1.00 0.00 C ATOM 47 CD PRO A 4 -10.470 -6.318 -2.932 1.00 0.00 C ATOM 0 HA PRO A 4 -10.114 -3.273 -3.202 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -10.185 -4.766 -0.560 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -11.335 -3.603 -1.189 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -11.946 -6.232 -1.327 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -12.334 -5.208 -2.695 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -9.967 -7.091 -2.351 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -10.934 -6.811 -3.786 1.00 0.00 H new ATOM 55 N LEU A 5 -7.602 -4.365 -1.361 1.00 0.00 N ATOM 56 CA LEU A 5 -6.298 -3.935 -0.872 1.00 0.00 C ATOM 57 C LEU A 5 -5.426 -3.445 -2.022 1.00 0.00 C ATOM 58 O LEU A 5 -4.832 -2.381 -1.915 1.00 0.00 O ATOM 59 CB LEU A 5 -5.552 -5.051 -0.124 1.00 0.00 C ATOM 60 CG LEU A 5 -5.613 -5.012 1.408 1.00 0.00 C ATOM 61 CD1 LEU A 5 -4.553 -5.992 1.932 1.00 0.00 C ATOM 62 CD2 LEU A 5 -5.303 -3.629 2.006 1.00 0.00 C ATOM 0 H LEU A 5 -7.838 -5.334 -1.149 1.00 0.00 H new ATOM 0 HA LEU A 5 -6.487 -3.122 -0.171 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -5.951 -6.009 -0.456 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -4.505 -5.021 -0.424 1.00 0.00 H new ATOM 0 HG LEU A 5 -6.631 -5.269 1.702 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -4.565 -5.993 3.022 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -4.772 -6.995 1.566 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -3.568 -5.685 1.581 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -5.366 -3.680 3.093 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -4.298 -3.323 1.714 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -6.025 -2.902 1.635 1.00 0.00 H new ATOM 74 N ASP A 6 -5.323 -4.220 -3.104 1.00 0.00 N ATOM 75 CA ASP A 6 -4.478 -3.864 -4.238 1.00 0.00 C ATOM 76 C ASP A 6 -4.854 -2.473 -4.752 1.00 0.00 C ATOM 77 O ASP A 6 -3.990 -1.620 -4.942 1.00 0.00 O ATOM 78 CB ASP A 6 -4.607 -4.917 -5.342 1.00 0.00 C ATOM 79 CG ASP A 6 -3.676 -4.607 -6.507 1.00 0.00 C ATOM 80 OD1 ASP A 6 -2.491 -4.991 -6.403 1.00 0.00 O ATOM 81 OD2 ASP A 6 -4.169 -3.998 -7.481 1.00 0.00 O ATOM 0 H ASP A 6 -5.820 -5.104 -3.215 1.00 0.00 H new ATOM 0 HA ASP A 6 -3.436 -3.838 -3.918 1.00 0.00 H new ATOM 0 HB2 ASP A 6 -4.374 -5.902 -4.938 1.00 0.00 H new ATOM 0 HB3 ASP A 6 -5.637 -4.953 -5.696 1.00 0.00 H new ATOM 86 N GLN A 7 -6.154 -2.240 -4.937 1.00 0.00 N ATOM 87 CA GLN A 7 -6.695 -0.961 -5.366 1.00 0.00 C ATOM 88 C GLN A 7 -6.334 0.145 -4.366 1.00 0.00 C ATOM 89 O GLN A 7 -5.827 1.193 -4.756 1.00 0.00 O ATOM 90 CB GLN A 7 -8.213 -1.107 -5.542 1.00 0.00 C ATOM 91 CG GLN A 7 -8.840 0.122 -6.210 1.00 0.00 C ATOM 92 CD GLN A 7 -10.358 0.004 -6.289 1.00 0.00 C ATOM 93 OE1 GLN A 7 -11.080 0.853 -5.779 1.00 0.00 O ATOM 94 NE2 GLN A 7 -10.862 -1.053 -6.922 1.00 0.00 N ATOM 0 H GLN A 7 -6.869 -2.952 -4.789 1.00 0.00 H new ATOM 0 HA GLN A 7 -6.258 -0.669 -6.321 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -8.424 -1.992 -6.143 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -8.676 -1.265 -4.568 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -8.573 1.018 -5.649 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -8.431 0.240 -7.213 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -10.238 -1.744 -7.337 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -11.873 -1.172 -6.992 1.00 0.00 H new ATOM 103 N ALA A 8 -6.611 -0.071 -3.079 1.00 0.00 N ATOM 104 CA ALA A 8 -6.405 0.925 -2.034 1.00 0.00 C ATOM 105 C ALA A 8 -4.921 1.291 -1.882 1.00 0.00 C ATOM 106 O ALA A 8 -4.550 2.464 -1.831 1.00 0.00 O ATOM 107 CB ALA A 8 -6.989 0.384 -0.733 1.00 0.00 C ATOM 0 H ALA A 8 -6.989 -0.953 -2.732 1.00 0.00 H new ATOM 0 HA ALA A 8 -6.916 1.849 -2.306 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -6.845 1.115 0.062 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -8.055 0.195 -0.863 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -6.486 -0.545 -0.467 1.00 0.00 H new ATOM 113 N ILE A 9 -4.058 0.278 -1.837 1.00 0.00 N ATOM 114 CA ILE A 9 -2.614 0.444 -1.897 1.00 0.00 C ATOM 115 C ILE A 9 -2.284 1.256 -3.152 1.00 0.00 C ATOM 116 O ILE A 9 -1.632 2.292 -3.059 1.00 0.00 O ATOM 117 CB ILE A 9 -1.929 -0.939 -1.867 1.00 0.00 C ATOM 118 CG1 ILE A 9 -2.081 -1.574 -0.472 1.00 0.00 C ATOM 119 CG2 ILE A 9 -0.447 -0.836 -2.247 1.00 0.00 C ATOM 120 CD1 ILE A 9 -1.744 -3.070 -0.476 1.00 0.00 C ATOM 0 H ILE A 9 -4.351 -0.696 -1.756 1.00 0.00 H new ATOM 0 HA ILE A 9 -2.235 0.990 -1.033 1.00 0.00 H new ATOM 0 HB ILE A 9 -2.419 -1.575 -2.604 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -1.429 -1.058 0.233 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -3.103 -1.435 -0.121 1.00 0.00 H new ATOM 0 HG21 ILE A 9 0.006 -1.827 -2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -0.357 -0.427 -3.253 1.00 0.00 H new ATOM 0 HG23 ILE A 9 0.065 -0.181 -1.542 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -1.866 -3.473 0.529 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -2.413 -3.592 -1.160 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -0.713 -3.210 -0.800 1.00 0.00 H new ATOM 132 N GLY A 10 -2.775 0.810 -4.312 1.00 0.00 N ATOM 133 CA GLY A 10 -2.652 1.503 -5.586 1.00 0.00 C ATOM 134 C GLY A 10 -2.971 2.993 -5.463 1.00 0.00 C ATOM 135 O GLY A 10 -2.208 3.826 -5.940 1.00 0.00 O ATOM 0 H GLY A 10 -3.284 -0.071 -4.386 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.639 1.380 -5.969 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -3.325 1.047 -6.313 1.00 0.00 H new ATOM 139 N LEU A 11 -4.081 3.337 -4.806 1.00 0.00 N ATOM 140 CA LEU A 11 -4.455 4.714 -4.513 1.00 0.00 C ATOM 141 C LEU A 11 -3.347 5.430 -3.726 1.00 0.00 C ATOM 142 O LEU A 11 -2.882 6.483 -4.159 1.00 0.00 O ATOM 143 CB LEU A 11 -5.818 4.739 -3.796 1.00 0.00 C ATOM 144 CG LEU A 11 -6.990 4.769 -4.792 1.00 0.00 C ATOM 145 CD1 LEU A 11 -8.207 4.010 -4.252 1.00 0.00 C ATOM 146 CD2 LEU A 11 -7.392 6.222 -5.063 1.00 0.00 C ATOM 0 H LEU A 11 -4.753 2.652 -4.459 1.00 0.00 H new ATOM 0 HA LEU A 11 -4.567 5.269 -5.444 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.908 3.861 -3.156 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -5.871 5.613 -3.147 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.661 4.284 -5.711 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -9.015 4.052 -4.982 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.936 2.970 -4.070 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -8.536 4.467 -3.319 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -8.222 6.244 -5.769 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -7.696 6.695 -4.130 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.544 6.762 -5.484 1.00 0.00 H new ATOM 158 N LEU A 12 -2.899 4.883 -2.591 1.00 0.00 N ATOM 159 CA LEU A 12 -1.854 5.528 -1.786 1.00 0.00 C ATOM 160 C LEU A 12 -0.549 5.703 -2.581 1.00 0.00 C ATOM 161 O LEU A 12 0.073 6.770 -2.524 1.00 0.00 O ATOM 162 CB LEU A 12 -1.616 4.774 -0.465 1.00 0.00 C ATOM 163 CG LEU A 12 -2.521 5.273 0.678 1.00 0.00 C ATOM 164 CD1 LEU A 12 -4.002 5.074 0.369 1.00 0.00 C ATOM 165 CD2 LEU A 12 -2.210 4.529 1.979 1.00 0.00 C ATOM 0 H LEU A 12 -3.241 4.001 -2.210 1.00 0.00 H new ATOM 0 HA LEU A 12 -2.211 6.526 -1.532 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -1.791 3.710 -0.623 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -0.572 4.885 -0.171 1.00 0.00 H new ATOM 0 HG LEU A 12 -2.317 6.338 0.785 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -4.600 5.440 1.203 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -4.263 5.626 -0.534 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -4.203 4.013 0.217 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -2.860 4.897 2.773 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -2.379 3.462 1.837 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -1.169 4.698 2.255 1.00 0.00 H new ATOM 177 N ILE A 13 -0.131 4.667 -3.317 1.00 0.00 N ATOM 178 CA ILE A 13 1.017 4.737 -4.221 1.00 0.00 C ATOM 179 C ILE A 13 0.813 5.870 -5.228 1.00 0.00 C ATOM 180 O ILE A 13 1.664 6.746 -5.361 1.00 0.00 O ATOM 181 CB ILE A 13 1.240 3.397 -4.952 1.00 0.00 C ATOM 182 CG1 ILE A 13 1.590 2.281 -3.955 1.00 0.00 C ATOM 183 CG2 ILE A 13 2.350 3.533 -6.013 1.00 0.00 C ATOM 184 CD1 ILE A 13 1.799 0.944 -4.668 1.00 0.00 C ATOM 0 H ILE A 13 -0.583 3.753 -3.300 1.00 0.00 H new ATOM 0 HA ILE A 13 1.909 4.940 -3.628 1.00 0.00 H new ATOM 0 HB ILE A 13 0.310 3.130 -5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 13 2.494 2.549 -3.408 1.00 0.00 H new ATOM 0 HG13 ILE A 13 0.791 2.183 -3.220 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.491 2.577 -6.517 1.00 0.00 H new ATOM 0 HG22 ILE A 13 2.064 4.289 -6.744 1.00 0.00 H new ATOM 0 HG23 ILE A 13 3.281 3.829 -5.530 1.00 0.00 H new ATOM 0 HD11 ILE A 13 2.045 0.175 -3.935 1.00 0.00 H new ATOM 0 HD12 ILE A 13 0.886 0.665 -5.193 1.00 0.00 H new ATOM 0 HD13 ILE A 13 2.615 1.037 -5.384 1.00 0.00 H new ATOM 196 N GLY A 14 -0.304 5.831 -5.953 1.00 0.00 N ATOM 197 CA GLY A 14 -0.643 6.789 -6.988 1.00 0.00 C ATOM 198 C GLY A 14 -0.549 8.204 -6.439 1.00 0.00 C ATOM 199 O GLY A 14 0.127 9.051 -7.017 1.00 0.00 O ATOM 0 H GLY A 14 -1.014 5.109 -5.828 1.00 0.00 H new ATOM 0 HA2 GLY A 14 0.032 6.674 -7.836 1.00 0.00 H new ATOM 0 HA3 GLY A 14 -1.652 6.599 -7.355 1.00 0.00 H new ATOM 203 N ILE A 15 -1.193 8.447 -5.298 1.00 0.00 N ATOM 204 CA ILE A 15 -1.128 9.725 -4.608 1.00 0.00 C ATOM 205 C ILE A 15 0.327 10.111 -4.334 1.00 0.00 C ATOM 206 O ILE A 15 0.717 11.239 -4.621 1.00 0.00 O ATOM 207 CB ILE A 15 -1.973 9.676 -3.325 1.00 0.00 C ATOM 208 CG1 ILE A 15 -3.477 9.595 -3.660 1.00 0.00 C ATOM 209 CG2 ILE A 15 -1.650 10.887 -2.445 1.00 0.00 C ATOM 210 CD1 ILE A 15 -4.138 10.942 -3.961 1.00 0.00 C ATOM 0 H ILE A 15 -1.777 7.755 -4.827 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.549 10.503 -5.245 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.722 8.774 -2.766 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -3.609 8.940 -4.521 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -3.997 9.129 -2.823 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.252 10.848 -1.537 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -0.593 10.873 -2.181 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -1.876 11.803 -2.990 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -5.193 10.787 -4.185 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -4.043 11.596 -3.094 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -3.649 11.404 -4.819 1.00 0.00 H new ATOM 222 N PHE A 16 1.140 9.201 -3.789 1.00 0.00 N ATOM 223 CA PHE A 16 2.548 9.511 -3.564 1.00 0.00 C ATOM 224 C PHE A 16 3.205 9.963 -4.868 1.00 0.00 C ATOM 225 O PHE A 16 3.785 11.046 -4.945 1.00 0.00 O ATOM 226 CB PHE A 16 3.293 8.304 -2.988 1.00 0.00 C ATOM 227 CG PHE A 16 4.719 8.605 -2.569 1.00 0.00 C ATOM 228 CD1 PHE A 16 4.964 9.420 -1.450 1.00 0.00 C ATOM 229 CD2 PHE A 16 5.804 8.088 -3.303 1.00 0.00 C ATOM 230 CE1 PHE A 16 6.279 9.612 -0.990 1.00 0.00 C ATOM 231 CE2 PHE A 16 7.120 8.294 -2.852 1.00 0.00 C ATOM 232 CZ PHE A 16 7.357 9.035 -1.682 1.00 0.00 C ATOM 0 H PHE A 16 0.853 8.265 -3.502 1.00 0.00 H new ATOM 0 HA PHE A 16 2.604 10.322 -2.838 1.00 0.00 H new ATOM 0 HB2 PHE A 16 2.743 7.928 -2.125 1.00 0.00 H new ATOM 0 HB3 PHE A 16 3.304 7.507 -3.732 1.00 0.00 H new ATOM 0 HD1 PHE A 16 4.140 9.900 -0.942 1.00 0.00 H new ATOM 0 HD2 PHE A 16 5.625 7.533 -4.212 1.00 0.00 H new ATOM 0 HE1 PHE A 16 6.460 10.203 -0.105 1.00 0.00 H new ATOM 0 HE2 PHE A 16 7.950 7.882 -3.406 1.00 0.00 H new ATOM 0 HZ PHE A 16 8.365 9.161 -1.316 1.00 0.00 H new ATOM 242 N HIS A 17 3.118 9.116 -5.895 1.00 0.00 N ATOM 243 CA HIS A 17 3.812 9.319 -7.153 1.00 0.00 C ATOM 244 C HIS A 17 3.312 10.576 -7.874 1.00 0.00 C ATOM 245 O HIS A 17 4.095 11.227 -8.563 1.00 0.00 O ATOM 246 CB HIS A 17 3.694 8.059 -8.021 1.00 0.00 C ATOM 247 CG HIS A 17 4.747 7.979 -9.100 1.00 0.00 C ATOM 248 ND1 HIS A 17 5.245 9.037 -9.826 1.00 0.00 N ATOM 249 CD2 HIS A 17 5.447 6.861 -9.469 1.00 0.00 C ATOM 250 CE1 HIS A 17 6.218 8.562 -10.622 1.00 0.00 C ATOM 251 NE2 HIS A 17 6.379 7.240 -10.439 1.00 0.00 N ATOM 0 H HIS A 17 2.557 8.264 -5.870 1.00 0.00 H new ATOM 0 HA HIS A 17 4.870 9.488 -6.950 1.00 0.00 H new ATOM 0 HB2 HIS A 17 3.769 7.178 -7.383 1.00 0.00 H new ATOM 0 HB3 HIS A 17 2.707 8.035 -8.483 1.00 0.00 H new ATOM 0 HD1 HIS A 17 4.932 10.006 -9.770 1.00 0.00 H new ATOM 0 HD2 HIS A 17 5.304 5.864 -9.080 1.00 0.00 H new ATOM 0 HE1 HIS A 17 6.792 9.160 -11.314 1.00 0.00 H new ATOM 259 N LYS A 18 2.033 10.925 -7.718 1.00 0.00 N ATOM 260 CA LYS A 18 1.429 12.125 -8.283 1.00 0.00 C ATOM 261 C LYS A 18 2.277 13.361 -7.969 1.00 0.00 C ATOM 262 O LYS A 18 2.494 14.197 -8.844 1.00 0.00 O ATOM 263 CB LYS A 18 -0.005 12.258 -7.744 1.00 0.00 C ATOM 264 CG LYS A 18 -0.787 13.453 -8.305 1.00 0.00 C ATOM 265 CD LYS A 18 -2.174 13.563 -7.651 1.00 0.00 C ATOM 266 CE LYS A 18 -3.134 12.450 -8.089 1.00 0.00 C ATOM 267 NZ LYS A 18 -4.478 12.659 -7.521 1.00 0.00 N ATOM 0 H LYS A 18 1.374 10.362 -7.180 1.00 0.00 H new ATOM 0 HA LYS A 18 1.388 12.044 -9.369 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -0.552 11.343 -7.972 1.00 0.00 H new ATOM 0 HB3 LYS A 18 0.035 12.343 -6.658 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -0.226 14.372 -8.133 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.898 13.345 -9.384 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.062 13.533 -6.567 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.611 14.530 -7.899 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.195 12.424 -9.177 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -2.746 11.483 -7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.109 11.893 -7.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.420 12.660 -6.483 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.855 13.572 -7.847 1.00 0.00 H new ATOM 281 N TYR A 19 2.753 13.479 -6.726 1.00 0.00 N ATOM 282 CA TYR A 19 3.586 14.601 -6.316 1.00 0.00 C ATOM 283 C TYR A 19 5.060 14.207 -6.409 1.00 0.00 C ATOM 284 O TYR A 19 5.825 14.851 -7.125 1.00 0.00 O ATOM 285 CB TYR A 19 3.160 15.107 -4.933 1.00 0.00 C ATOM 286 CG TYR A 19 1.722 15.607 -4.901 1.00 0.00 C ATOM 287 CD1 TYR A 19 1.408 16.941 -5.230 1.00 0.00 C ATOM 288 CD2 TYR A 19 0.680 14.702 -4.636 1.00 0.00 C ATOM 289 CE1 TYR A 19 0.066 17.360 -5.274 1.00 0.00 C ATOM 290 CE2 TYR A 19 -0.658 15.129 -4.640 1.00 0.00 C ATOM 291 CZ TYR A 19 -0.967 16.458 -4.969 1.00 0.00 C ATOM 292 OH TYR A 19 -2.263 16.873 -5.020 1.00 0.00 O ATOM 0 H TYR A 19 2.571 12.803 -5.985 1.00 0.00 H new ATOM 0 HA TYR A 19 3.448 15.445 -6.992 1.00 0.00 H new ATOM 0 HB2 TYR A 19 3.276 14.303 -4.206 1.00 0.00 H new ATOM 0 HB3 TYR A 19 3.826 15.913 -4.626 1.00 0.00 H new ATOM 0 HD1 TYR A 19 2.199 17.643 -5.449 1.00 0.00 H new ATOM 0 HD2 TYR A 19 0.910 13.668 -4.427 1.00 0.00 H new ATOM 0 HE1 TYR A 19 -0.171 18.379 -5.543 1.00 0.00 H new ATOM 0 HE2 TYR A 19 -1.448 14.436 -4.390 1.00 0.00 H new ATOM 0 HH TYR A 19 -2.854 16.129 -4.783 1.00 0.00 H new ATOM 302 N SER A 20 5.462 13.128 -5.733 1.00 0.00 N ATOM 303 CA SER A 20 6.859 12.712 -5.671 1.00 0.00 C ATOM 304 C SER A 20 7.460 12.500 -7.062 1.00 0.00 C ATOM 305 O SER A 20 8.645 12.731 -7.263 1.00 0.00 O ATOM 306 CB SER A 20 7.009 11.454 -4.810 1.00 0.00 C ATOM 307 OG SER A 20 6.163 11.534 -3.682 1.00 0.00 O ATOM 0 H SER A 20 4.827 12.521 -5.215 1.00 0.00 H new ATOM 0 HA SER A 20 7.419 13.522 -5.203 1.00 0.00 H new ATOM 0 HB2 SER A 20 6.762 10.570 -5.398 1.00 0.00 H new ATOM 0 HB3 SER A 20 8.045 11.344 -4.490 1.00 0.00 H new ATOM 0 HG SER A 20 6.241 10.711 -3.155 1.00 0.00 H new ATOM 415 N THR A 28 11.239 9.744 -2.501 1.00 0.00 N ATOM 416 CA THR A 28 11.224 10.578 -1.319 1.00 0.00 C ATOM 417 C THR A 28 10.587 11.929 -1.660 1.00 0.00 C ATOM 418 O THR A 28 10.444 12.272 -2.831 1.00 0.00 O ATOM 419 CB THR A 28 12.679 10.778 -0.852 1.00 0.00 C ATOM 420 OG1 THR A 28 13.553 10.882 -1.958 1.00 0.00 O ATOM 421 CG2 THR A 28 13.218 9.631 0.004 1.00 0.00 C ATOM 0 HA THR A 28 10.643 10.109 -0.525 1.00 0.00 H new ATOM 0 HB THR A 28 12.649 11.691 -0.257 1.00 0.00 H new ATOM 0 HG1 THR A 28 13.158 10.427 -2.731 1.00 0.00 H new ATOM 0 HG21 THR A 28 14.247 9.845 0.293 1.00 0.00 H new ATOM 0 HG22 THR A 28 12.604 9.525 0.898 1.00 0.00 H new ATOM 0 HG23 THR A 28 13.188 8.704 -0.569 1.00 0.00 H new ATOM 429 N LEU A 29 10.203 12.696 -0.638 1.00 0.00 N ATOM 430 CA LEU A 29 9.802 14.093 -0.776 1.00 0.00 C ATOM 431 C LEU A 29 9.877 14.764 0.598 1.00 0.00 C ATOM 432 O LEU A 29 9.985 14.057 1.595 1.00 0.00 O ATOM 433 CB LEU A 29 8.437 14.231 -1.464 1.00 0.00 C ATOM 434 CG LEU A 29 7.327 13.265 -1.026 1.00 0.00 C ATOM 435 CD1 LEU A 29 7.142 13.163 0.490 1.00 0.00 C ATOM 436 CD2 LEU A 29 6.012 13.744 -1.645 1.00 0.00 C ATOM 0 H LEU A 29 10.162 12.357 0.323 1.00 0.00 H new ATOM 0 HA LEU A 29 10.492 14.616 -1.439 1.00 0.00 H new ATOM 0 HB2 LEU A 29 8.081 15.249 -1.305 1.00 0.00 H new ATOM 0 HB3 LEU A 29 8.586 14.109 -2.537 1.00 0.00 H new ATOM 0 HG LEU A 29 7.619 12.272 -1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.339 12.460 0.712 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.068 12.812 0.947 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.888 14.144 0.892 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.205 13.074 -1.349 1.00 0.00 H new ATOM 0 HD22 LEU A 29 5.792 14.753 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 29 6.101 13.747 -2.731 1.00 0.00 H new ATOM 448 N SER A 30 9.887 16.099 0.673 1.00 0.00 N ATOM 449 CA SER A 30 10.082 16.842 1.921 1.00 0.00 C ATOM 450 C SER A 30 8.857 17.697 2.300 1.00 0.00 C ATOM 451 O SER A 30 7.778 17.588 1.714 1.00 0.00 O ATOM 452 CB SER A 30 11.377 17.674 1.836 1.00 0.00 C ATOM 453 OG SER A 30 11.729 18.182 3.116 1.00 0.00 O ATOM 0 H SER A 30 9.758 16.700 -0.141 1.00 0.00 H new ATOM 0 HA SER A 30 10.190 16.121 2.732 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.187 17.057 1.448 1.00 0.00 H new ATOM 0 HB3 SER A 30 11.241 18.498 1.136 1.00 0.00 H new ATOM 0 HG SER A 30 12.554 18.706 3.044 1.00 0.00 H new ATOM 459 N LYS A 31 9.062 18.555 3.304 1.00 0.00 N ATOM 460 CA LYS A 31 8.095 19.380 4.015 1.00 0.00 C ATOM 461 C LYS A 31 7.015 19.965 3.104 1.00 0.00 C ATOM 462 O LYS A 31 5.833 19.665 3.259 1.00 0.00 O ATOM 463 CB LYS A 31 8.839 20.523 4.720 1.00 0.00 C ATOM 464 CG LYS A 31 9.742 20.051 5.866 1.00 0.00 C ATOM 465 CD LYS A 31 10.721 21.154 6.294 1.00 0.00 C ATOM 466 CE LYS A 31 10.040 22.495 6.585 1.00 0.00 C ATOM 467 NZ LYS A 31 11.001 23.454 7.160 1.00 0.00 N ATOM 0 H LYS A 31 10.003 18.699 3.671 1.00 0.00 H new ATOM 0 HA LYS A 31 7.587 18.736 4.733 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.444 21.058 3.988 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.110 21.233 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 31 9.129 19.755 6.717 1.00 0.00 H new ATOM 0 HG3 LYS A 31 10.299 19.168 5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 31 11.258 20.827 7.185 1.00 0.00 H new ATOM 0 HD3 LYS A 31 11.463 21.295 5.508 1.00 0.00 H new ATOM 0 HE2 LYS A 31 9.619 22.902 5.666 1.00 0.00 H new ATOM 0 HE3 LYS A 31 9.211 22.345 7.276 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 10.520 24.356 7.350 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 11.383 23.072 8.048 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 11.779 23.611 6.488 1.00 0.00 H new ATOM 481 N LYS A 32 7.411 20.846 2.182 1.00 0.00 N ATOM 482 CA LYS A 32 6.492 21.573 1.325 1.00 0.00 C ATOM 483 C LYS A 32 5.596 20.607 0.549 1.00 0.00 C ATOM 484 O LYS A 32 4.390 20.811 0.438 1.00 0.00 O ATOM 485 CB LYS A 32 7.319 22.459 0.387 1.00 0.00 C ATOM 486 CG LYS A 32 6.499 23.630 -0.151 1.00 0.00 C ATOM 487 CD LYS A 32 7.394 24.502 -1.040 1.00 0.00 C ATOM 488 CE LYS A 32 6.969 25.967 -0.945 1.00 0.00 C ATOM 489 NZ LYS A 32 5.593 26.173 -1.430 1.00 0.00 N ATOM 0 H LYS A 32 8.391 21.072 2.013 1.00 0.00 H new ATOM 0 HA LYS A 32 5.829 22.199 1.923 1.00 0.00 H new ATOM 0 HB2 LYS A 32 8.191 22.839 0.920 1.00 0.00 H new ATOM 0 HB3 LYS A 32 7.690 21.861 -0.446 1.00 0.00 H new ATOM 0 HG2 LYS A 32 5.647 23.262 -0.722 1.00 0.00 H new ATOM 0 HG3 LYS A 32 6.099 24.220 0.674 1.00 0.00 H new ATOM 0 HD2 LYS A 32 8.435 24.398 -0.734 1.00 0.00 H new ATOM 0 HD3 LYS A 32 7.331 24.164 -2.074 1.00 0.00 H new ATOM 0 HE2 LYS A 32 7.043 26.300 0.090 1.00 0.00 H new ATOM 0 HE3 LYS A 32 7.655 26.582 -1.527 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.390 27.192 -1.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 5.493 25.756 -2.378 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 4.923 25.716 -0.778 1.00 0.00 H new ATOM 503 N GLU A 33 6.201 19.544 0.022 1.00 0.00 N ATOM 504 CA GLU A 33 5.515 18.531 -0.752 1.00 0.00 C ATOM 505 C GLU A 33 4.531 17.761 0.131 1.00 0.00 C ATOM 506 O GLU A 33 3.430 17.452 -0.312 1.00 0.00 O ATOM 507 CB GLU A 33 6.531 17.593 -1.408 1.00 0.00 C ATOM 508 CG GLU A 33 7.621 18.348 -2.189 1.00 0.00 C ATOM 509 CD GLU A 33 8.891 18.553 -1.366 1.00 0.00 C ATOM 510 OE1 GLU A 33 8.893 19.475 -0.520 1.00 0.00 O ATOM 511 OE2 GLU A 33 9.831 17.753 -1.560 1.00 0.00 O ATOM 0 H GLU A 33 7.200 19.367 0.127 1.00 0.00 H new ATOM 0 HA GLU A 33 4.942 19.014 -1.544 1.00 0.00 H new ATOM 0 HB2 GLU A 33 7.000 16.979 -0.640 1.00 0.00 H new ATOM 0 HB3 GLU A 33 6.010 16.915 -2.084 1.00 0.00 H new ATOM 0 HG2 GLU A 33 7.864 17.794 -3.096 1.00 0.00 H new ATOM 0 HG3 GLU A 33 7.234 19.318 -2.502 1.00 0.00 H new ATOM 518 N LEU A 34 4.906 17.460 1.378 1.00 0.00 N ATOM 519 CA LEU A 34 3.996 16.835 2.335 1.00 0.00 C ATOM 520 C LEU A 34 2.810 17.753 2.637 1.00 0.00 C ATOM 521 O LEU A 34 1.660 17.321 2.567 1.00 0.00 O ATOM 522 CB LEU A 34 4.731 16.480 3.630 1.00 0.00 C ATOM 523 CG LEU A 34 5.771 15.371 3.435 1.00 0.00 C ATOM 524 CD1 LEU A 34 6.727 15.413 4.626 1.00 0.00 C ATOM 525 CD2 LEU A 34 5.103 13.995 3.319 1.00 0.00 C ATOM 0 H LEU A 34 5.839 17.641 1.747 1.00 0.00 H new ATOM 0 HA LEU A 34 3.618 15.916 1.887 1.00 0.00 H new ATOM 0 HB2 LEU A 34 5.224 17.371 4.019 1.00 0.00 H new ATOM 0 HB3 LEU A 34 4.006 16.164 4.380 1.00 0.00 H new ATOM 0 HG LEU A 34 6.317 15.534 2.506 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.481 14.633 4.515 1.00 0.00 H new ATOM 0 HD12 LEU A 34 7.216 16.387 4.666 1.00 0.00 H new ATOM 0 HD13 LEU A 34 6.168 15.249 5.547 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.867 13.230 3.181 1.00 0.00 H new ATOM 0 HD22 LEU A 34 4.540 13.786 4.229 1.00 0.00 H new ATOM 0 HD23 LEU A 34 4.427 13.990 2.464 1.00 0.00 H new ATOM 537 N LYS A 35 3.091 19.013 2.979 1.00 0.00 N ATOM 538 CA LYS A 35 2.073 20.026 3.234 1.00 0.00 C ATOM 539 C LYS A 35 1.112 20.114 2.048 1.00 0.00 C ATOM 540 O LYS A 35 -0.106 20.061 2.229 1.00 0.00 O ATOM 541 CB LYS A 35 2.741 21.378 3.524 1.00 0.00 C ATOM 542 CG LYS A 35 3.311 21.414 4.948 1.00 0.00 C ATOM 543 CD LYS A 35 4.193 22.653 5.147 1.00 0.00 C ATOM 544 CE LYS A 35 4.319 23.017 6.632 1.00 0.00 C ATOM 545 NZ LYS A 35 4.690 21.856 7.458 1.00 0.00 N ATOM 0 H LYS A 35 4.044 19.359 3.087 1.00 0.00 H new ATOM 0 HA LYS A 35 1.491 19.745 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.540 21.555 2.804 1.00 0.00 H new ATOM 0 HB3 LYS A 35 2.015 22.181 3.398 1.00 0.00 H new ATOM 0 HG2 LYS A 35 2.496 21.422 5.671 1.00 0.00 H new ATOM 0 HG3 LYS A 35 3.894 20.512 5.135 1.00 0.00 H new ATOM 0 HD2 LYS A 35 5.183 22.467 4.731 1.00 0.00 H new ATOM 0 HD3 LYS A 35 3.770 23.495 4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.068 23.800 6.750 1.00 0.00 H new ATOM 0 HE3 LYS A 35 3.373 23.426 6.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 4.731 22.140 8.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 3.980 21.105 7.340 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 5.621 21.502 7.161 1.00 0.00 H new ATOM 559 N GLU A 36 1.666 20.216 0.836 1.00 0.00 N ATOM 560 CA GLU A 36 0.906 20.126 -0.399 1.00 0.00 C ATOM 561 C GLU A 36 0.052 18.856 -0.373 1.00 0.00 C ATOM 562 O GLU A 36 -1.159 18.974 -0.253 1.00 0.00 O ATOM 563 CB GLU A 36 1.852 20.226 -1.603 1.00 0.00 C ATOM 564 CG GLU A 36 1.137 20.051 -2.949 1.00 0.00 C ATOM 565 CD GLU A 36 2.086 20.216 -4.132 1.00 0.00 C ATOM 566 OE1 GLU A 36 3.245 19.760 -4.010 1.00 0.00 O ATOM 567 OE2 GLU A 36 1.627 20.780 -5.148 1.00 0.00 O ATOM 0 H GLU A 36 2.665 20.365 0.691 1.00 0.00 H new ATOM 0 HA GLU A 36 0.214 20.962 -0.497 1.00 0.00 H new ATOM 0 HB2 GLU A 36 2.350 21.196 -1.586 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.629 19.467 -1.510 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.678 19.063 -2.989 1.00 0.00 H new ATOM 0 HG3 GLU A 36 0.331 20.780 -3.028 1.00 0.00 H new ATOM 574 N LEU A 37 0.650 17.663 -0.455 1.00 0.00 N ATOM 575 CA LEU A 37 -0.060 16.384 -0.412 1.00 0.00 C ATOM 576 C LEU A 37 -1.266 16.417 0.524 1.00 0.00 C ATOM 577 O LEU A 37 -2.406 16.246 0.088 1.00 0.00 O ATOM 578 CB LEU A 37 0.891 15.256 0.029 1.00 0.00 C ATOM 579 CG LEU A 37 1.389 14.402 -1.139 1.00 0.00 C ATOM 580 CD1 LEU A 37 2.595 13.577 -0.686 1.00 0.00 C ATOM 581 CD2 LEU A 37 0.276 13.443 -1.580 1.00 0.00 C ATOM 0 H LEU A 37 1.660 17.559 -0.555 1.00 0.00 H new ATOM 0 HA LEU A 37 -0.423 16.195 -1.422 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.747 15.691 0.545 1.00 0.00 H new ATOM 0 HB3 LEU A 37 0.378 14.616 0.747 1.00 0.00 H new ATOM 0 HG LEU A 37 1.671 15.052 -1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 37 2.952 12.968 -1.516 1.00 0.00 H new ATOM 0 HD12 LEU A 37 3.391 14.246 -0.359 1.00 0.00 H new ATOM 0 HD13 LEU A 37 2.303 12.929 0.140 1.00 0.00 H new ATOM 0 HD21 LEU A 37 0.629 12.834 -2.412 1.00 0.00 H new ATOM 0 HD22 LEU A 37 0.002 12.796 -0.747 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -0.595 14.017 -1.895 1.00 0.00 H new ATOM 593 N ILE A 38 -1.008 16.622 1.816 1.00 0.00 N ATOM 594 CA ILE A 38 -2.053 16.500 2.811 1.00 0.00 C ATOM 595 C ILE A 38 -3.138 17.558 2.585 1.00 0.00 C ATOM 596 O ILE A 38 -4.316 17.217 2.598 1.00 0.00 O ATOM 597 CB ILE A 38 -1.461 16.456 4.232 1.00 0.00 C ATOM 598 CG1 ILE A 38 -2.503 15.888 5.204 1.00 0.00 C ATOM 599 CG2 ILE A 38 -0.963 17.822 4.711 1.00 0.00 C ATOM 600 CD1 ILE A 38 -1.925 15.614 6.594 1.00 0.00 C ATOM 0 H ILE A 38 -0.091 16.871 2.187 1.00 0.00 H new ATOM 0 HA ILE A 38 -2.563 15.543 2.698 1.00 0.00 H new ATOM 0 HB ILE A 38 -0.588 15.805 4.204 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -3.333 16.589 5.292 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -2.909 14.963 4.795 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -0.557 17.729 5.718 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -0.185 18.182 4.038 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -1.792 18.529 4.718 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -2.706 15.213 7.240 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -1.113 14.891 6.514 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -1.543 16.542 7.019 1.00 0.00 H new ATOM 612 N GLN A 39 -2.768 18.819 2.335 1.00 0.00 N ATOM 613 CA GLN A 39 -3.754 19.883 2.188 1.00 0.00 C ATOM 614 C GLN A 39 -4.556 19.744 0.889 1.00 0.00 C ATOM 615 O GLN A 39 -5.774 19.909 0.900 1.00 0.00 O ATOM 616 CB GLN A 39 -3.060 21.244 2.305 1.00 0.00 C ATOM 617 CG GLN A 39 -4.084 22.384 2.338 1.00 0.00 C ATOM 618 CD GLN A 39 -3.459 23.673 2.857 1.00 0.00 C ATOM 619 OE1 GLN A 39 -3.812 24.149 3.931 1.00 0.00 O ATOM 620 NE2 GLN A 39 -2.519 24.243 2.109 1.00 0.00 N ATOM 0 H GLN A 39 -1.799 19.121 2.232 1.00 0.00 H new ATOM 0 HA GLN A 39 -4.483 19.801 2.994 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -2.453 21.270 3.210 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -2.382 21.384 1.463 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.482 22.548 1.337 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.924 22.103 2.973 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.249 23.821 1.221 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.068 25.102 2.424 1.00 0.00 H new ATOM 629 N LYS A 40 -3.878 19.463 -0.229 1.00 0.00 N ATOM 630 CA LYS A 40 -4.499 19.214 -1.524 1.00 0.00 C ATOM 631 C LYS A 40 -5.524 18.093 -1.379 1.00 0.00 C ATOM 632 O LYS A 40 -6.696 18.258 -1.709 1.00 0.00 O ATOM 633 CB LYS A 40 -3.452 18.774 -2.566 1.00 0.00 C ATOM 634 CG LYS A 40 -2.345 19.768 -2.945 1.00 0.00 C ATOM 635 CD LYS A 40 -2.758 20.901 -3.884 1.00 0.00 C ATOM 636 CE LYS A 40 -3.021 22.175 -3.076 1.00 0.00 C ATOM 637 NZ LYS A 40 -3.483 23.274 -3.942 1.00 0.00 N ATOM 0 H LYS A 40 -2.860 19.402 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 40 -4.971 20.138 -1.858 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -2.973 17.868 -2.195 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -3.983 18.503 -3.478 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -1.949 20.207 -2.029 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -1.530 19.214 -3.412 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -1.973 21.081 -4.619 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -3.654 20.619 -4.437 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -3.770 21.974 -2.310 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -2.109 22.475 -2.560 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -3.652 24.123 -3.365 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -2.757 23.481 -4.657 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -4.366 22.995 -4.415 1.00 0.00 H new ATOM 651 N GLU A 41 -5.055 16.929 -0.925 1.00 0.00 N ATOM 652 CA GLU A 41 -5.858 15.723 -0.911 1.00 0.00 C ATOM 653 C GLU A 41 -6.803 15.747 0.289 1.00 0.00 C ATOM 654 O GLU A 41 -8.022 15.825 0.140 1.00 0.00 O ATOM 655 CB GLU A 41 -4.940 14.492 -0.899 1.00 0.00 C ATOM 656 CG GLU A 41 -3.975 14.439 -2.096 1.00 0.00 C ATOM 657 CD GLU A 41 -4.675 14.370 -3.452 1.00 0.00 C ATOM 658 OE1 GLU A 41 -5.749 13.733 -3.516 1.00 0.00 O ATOM 659 OE2 GLU A 41 -4.105 14.943 -4.407 1.00 0.00 O ATOM 0 H GLU A 41 -4.111 16.805 -0.560 1.00 0.00 H new ATOM 0 HA GLU A 41 -6.471 15.670 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -4.362 14.488 0.025 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -5.553 13.591 -0.895 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -3.334 15.321 -2.073 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -3.326 13.570 -1.989 1.00 0.00 H new ATOM 666 N LEU A 42 -6.250 15.678 1.500 1.00 0.00 N ATOM 667 CA LEU A 42 -7.024 15.586 2.726 1.00 0.00 C ATOM 668 C LEU A 42 -7.367 16.984 3.230 1.00 0.00 C ATOM 669 O LEU A 42 -7.110 17.318 4.382 1.00 0.00 O ATOM 670 CB LEU A 42 -6.273 14.746 3.771 1.00 0.00 C ATOM 671 CG LEU A 42 -6.054 13.297 3.306 1.00 0.00 C ATOM 672 CD1 LEU A 42 -5.201 12.539 4.322 1.00 0.00 C ATOM 673 CD2 LEU A 42 -7.388 12.556 3.183 1.00 0.00 C ATOM 0 H LEU A 42 -5.242 15.685 1.653 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.966 15.074 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -5.308 15.208 3.980 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.835 14.745 4.705 1.00 0.00 H new ATOM 0 HG LEU A 42 -5.556 13.338 2.337 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -5.053 11.514 3.981 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -4.233 13.031 4.424 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -5.707 12.531 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -7.207 11.533 2.853 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -7.887 12.541 4.152 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.021 13.065 2.457 1.00 0.00 H new ATOM 794 N ASP A 50 -8.220 17.352 14.967 1.00 0.00 N ATOM 795 CA ASP A 50 -6.866 17.860 15.202 1.00 0.00 C ATOM 796 C ASP A 50 -5.777 17.186 14.358 1.00 0.00 C ATOM 797 O ASP A 50 -4.793 17.833 14.003 1.00 0.00 O ATOM 798 CB ASP A 50 -6.494 17.787 16.686 1.00 0.00 C ATOM 799 CG ASP A 50 -6.354 16.358 17.202 1.00 0.00 C ATOM 800 OD1 ASP A 50 -7.392 15.798 17.610 1.00 0.00 O ATOM 801 OD2 ASP A 50 -5.208 15.860 17.183 1.00 0.00 O ATOM 0 HA ASP A 50 -6.902 18.901 14.880 1.00 0.00 H new ATOM 0 HB2 ASP A 50 -5.555 18.317 16.845 1.00 0.00 H new ATOM 0 HB3 ASP A 50 -7.255 18.304 17.270 1.00 0.00 H new ATOM 806 N ALA A 51 -5.932 15.894 14.064 1.00 0.00 N ATOM 807 CA ALA A 51 -4.946 15.056 13.401 1.00 0.00 C ATOM 808 C ALA A 51 -4.182 15.770 12.284 1.00 0.00 C ATOM 809 O ALA A 51 -2.954 15.801 12.308 1.00 0.00 O ATOM 810 CB ALA A 51 -5.644 13.813 12.857 1.00 0.00 C ATOM 0 H ALA A 51 -6.787 15.387 14.294 1.00 0.00 H new ATOM 0 HA ALA A 51 -4.196 14.787 14.144 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -4.915 13.176 12.357 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -6.102 13.264 13.679 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -6.414 14.110 12.145 1.00 0.00 H new ATOM 816 N GLU A 52 -4.891 16.325 11.294 1.00 0.00 N ATOM 817 CA GLU A 52 -4.244 16.930 10.132 1.00 0.00 C ATOM 818 C GLU A 52 -3.398 18.129 10.549 1.00 0.00 C ATOM 819 O GLU A 52 -2.311 18.355 10.025 1.00 0.00 O ATOM 820 CB GLU A 52 -5.285 17.332 9.075 1.00 0.00 C ATOM 821 CG GLU A 52 -4.633 17.510 7.694 1.00 0.00 C ATOM 822 CD GLU A 52 -5.412 18.461 6.793 1.00 0.00 C ATOM 823 OE1 GLU A 52 -6.647 18.519 6.969 1.00 0.00 O ATOM 824 OE2 GLU A 52 -4.755 19.139 5.972 1.00 0.00 O ATOM 0 H GLU A 52 -5.910 16.366 11.277 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.582 16.188 9.686 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -6.062 16.570 9.018 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -5.771 18.261 9.374 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -3.618 17.887 7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -4.553 16.538 7.207 1.00 0.00 H new ATOM 831 N ILE A 53 -3.914 18.901 11.499 1.00 0.00 N ATOM 832 CA ILE A 53 -3.305 20.129 11.956 1.00 0.00 C ATOM 833 C ILE A 53 -2.020 19.742 12.696 1.00 0.00 C ATOM 834 O ILE A 53 -0.936 20.240 12.393 1.00 0.00 O ATOM 835 CB ILE A 53 -4.322 20.901 12.819 1.00 0.00 C ATOM 836 CG1 ILE A 53 -5.685 21.132 12.120 1.00 0.00 C ATOM 837 CG2 ILE A 53 -3.732 22.264 13.200 1.00 0.00 C ATOM 838 CD1 ILE A 53 -6.607 19.908 12.012 1.00 0.00 C ATOM 0 H ILE A 53 -4.786 18.679 11.979 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.033 20.802 11.143 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.512 20.283 13.697 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -6.218 21.916 12.658 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -5.495 21.508 11.115 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -4.449 22.813 13.811 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.812 22.117 13.765 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -3.516 22.832 12.296 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -7.530 20.191 11.505 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -6.106 19.124 11.443 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -6.840 19.539 13.011 1.00 0.00 H new ATOM 850 N VAL A 54 -2.138 18.783 13.617 1.00 0.00 N ATOM 851 CA VAL A 54 -1.003 18.198 14.311 1.00 0.00 C ATOM 852 C VAL A 54 0.029 17.691 13.301 1.00 0.00 C ATOM 853 O VAL A 54 1.208 17.991 13.450 1.00 0.00 O ATOM 854 CB VAL A 54 -1.483 17.110 15.288 1.00 0.00 C ATOM 855 CG1 VAL A 54 -0.308 16.359 15.930 1.00 0.00 C ATOM 856 CG2 VAL A 54 -2.313 17.760 16.402 1.00 0.00 C ATOM 0 H VAL A 54 -3.036 18.391 13.900 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.503 18.958 14.912 1.00 0.00 H new ATOM 0 HB VAL A 54 -2.080 16.396 14.721 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -0.691 15.600 16.613 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.287 15.881 15.152 1.00 0.00 H new ATOM 0 HG13 VAL A 54 0.315 17.062 16.482 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.655 16.992 17.096 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.700 18.485 16.937 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -3.175 18.265 15.966 1.00 0.00 H new ATOM 866 N LYS A 55 -0.391 16.952 12.269 1.00 0.00 N ATOM 867 CA LYS A 55 0.505 16.491 11.211 1.00 0.00 C ATOM 868 C LYS A 55 1.238 17.674 10.572 1.00 0.00 C ATOM 869 O LYS A 55 2.463 17.665 10.472 1.00 0.00 O ATOM 870 CB LYS A 55 -0.266 15.681 10.153 1.00 0.00 C ATOM 871 CG LYS A 55 0.149 14.205 10.080 1.00 0.00 C ATOM 872 CD LYS A 55 -0.433 13.314 11.184 1.00 0.00 C ATOM 873 CE LYS A 55 0.218 13.513 12.555 1.00 0.00 C ATOM 874 NZ LYS A 55 -0.141 12.416 13.467 1.00 0.00 N ATOM 0 H LYS A 55 -1.360 16.659 12.146 1.00 0.00 H new ATOM 0 HA LYS A 55 1.250 15.832 11.657 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -1.332 15.739 10.371 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -0.115 16.140 9.176 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.155 13.805 9.113 1.00 0.00 H new ATOM 0 HG3 LYS A 55 1.237 14.146 10.122 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -1.502 13.510 11.269 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.323 12.270 10.890 1.00 0.00 H new ATOM 0 HE2 LYS A 55 1.301 13.561 12.445 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -0.101 14.465 12.980 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.253 12.789 14.431 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.035 11.985 13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 0.611 11.698 13.459 1.00 0.00 H new ATOM 888 N LEU A 56 0.491 18.689 10.132 1.00 0.00 N ATOM 889 CA LEU A 56 1.048 19.869 9.484 1.00 0.00 C ATOM 890 C LEU A 56 2.110 20.543 10.359 1.00 0.00 C ATOM 891 O LEU A 56 3.135 20.978 9.837 1.00 0.00 O ATOM 892 CB LEU A 56 -0.076 20.844 9.099 1.00 0.00 C ATOM 893 CG LEU A 56 -0.870 20.381 7.865 1.00 0.00 C ATOM 894 CD1 LEU A 56 -2.210 21.121 7.801 1.00 0.00 C ATOM 895 CD2 LEU A 56 -0.093 20.657 6.573 1.00 0.00 C ATOM 0 H LEU A 56 -0.525 18.711 10.218 1.00 0.00 H new ATOM 0 HA LEU A 56 1.550 19.553 8.570 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.757 20.957 9.942 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.353 21.826 8.902 1.00 0.00 H new ATOM 0 HG LEU A 56 -1.035 19.308 7.957 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -2.768 20.789 6.925 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -2.787 20.908 8.701 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -2.030 22.194 7.731 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.678 20.320 5.717 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.097 21.727 6.484 1.00 0.00 H new ATOM 0 HD23 LEU A 56 0.856 20.121 6.598 1.00 0.00 H new ATOM 907 N MET A 57 1.891 20.633 11.675 1.00 0.00 N ATOM 908 CA MET A 57 2.909 21.154 12.581 1.00 0.00 C ATOM 909 C MET A 57 4.077 20.160 12.672 1.00 0.00 C ATOM 910 O MET A 57 5.214 20.481 12.322 1.00 0.00 O ATOM 911 CB MET A 57 2.308 21.428 13.973 1.00 0.00 C ATOM 912 CG MET A 57 1.732 22.841 14.177 1.00 0.00 C ATOM 913 SD MET A 57 -0.036 23.130 13.874 1.00 0.00 S ATOM 914 CE MET A 57 -0.120 23.329 12.081 1.00 0.00 C ATOM 0 H MET A 57 1.022 20.353 12.130 1.00 0.00 H new ATOM 0 HA MET A 57 3.284 22.100 12.190 1.00 0.00 H new ATOM 0 HB2 MET A 57 1.517 20.701 14.158 1.00 0.00 H new ATOM 0 HB3 MET A 57 3.080 21.257 14.723 1.00 0.00 H new ATOM 0 HG2 MET A 57 1.941 23.135 15.206 1.00 0.00 H new ATOM 0 HG3 MET A 57 2.291 23.519 13.532 1.00 0.00 H new ATOM 0 HE1 MET A 57 -0.381 24.360 11.841 1.00 0.00 H new ATOM 0 HE2 MET A 57 0.848 23.088 11.642 1.00 0.00 H new ATOM 0 HE3 MET A 57 -0.878 22.659 11.676 1.00 0.00 H new ATOM 924 N ASP A 58 3.780 18.948 13.151 1.00 0.00 N ATOM 925 CA ASP A 58 4.720 17.856 13.397 1.00 0.00 C ATOM 926 C ASP A 58 5.675 17.640 12.226 1.00 0.00 C ATOM 927 O ASP A 58 6.837 17.304 12.438 1.00 0.00 O ATOM 928 CB ASP A 58 3.944 16.567 13.689 1.00 0.00 C ATOM 929 CG ASP A 58 4.879 15.376 13.865 1.00 0.00 C ATOM 930 OD1 ASP A 58 5.640 15.390 14.857 1.00 0.00 O ATOM 931 OD2 ASP A 58 4.820 14.477 12.998 1.00 0.00 O ATOM 0 H ASP A 58 2.822 18.691 13.390 1.00 0.00 H new ATOM 0 HA ASP A 58 5.327 18.129 14.260 1.00 0.00 H new ATOM 0 HB2 ASP A 58 3.347 16.698 14.591 1.00 0.00 H new ATOM 0 HB3 ASP A 58 3.249 16.367 12.873 1.00 0.00 H new ATOM 936 N ASP A 59 5.189 17.864 11.002 1.00 0.00 N ATOM 937 CA ASP A 59 5.967 17.852 9.774 1.00 0.00 C ATOM 938 C ASP A 59 7.351 18.470 9.983 1.00 0.00 C ATOM 939 O ASP A 59 8.351 17.849 9.631 1.00 0.00 O ATOM 940 CB ASP A 59 5.206 18.640 8.707 1.00 0.00 C ATOM 941 CG ASP A 59 5.936 18.637 7.373 1.00 0.00 C ATOM 942 OD1 ASP A 59 5.852 17.597 6.688 1.00 0.00 O ATOM 943 OD2 ASP A 59 6.561 19.675 7.064 1.00 0.00 O ATOM 0 H ASP A 59 4.202 18.066 10.840 1.00 0.00 H new ATOM 0 HA ASP A 59 6.110 16.819 9.458 1.00 0.00 H new ATOM 0 HB2 ASP A 59 4.212 18.211 8.578 1.00 0.00 H new ATOM 0 HB3 ASP A 59 5.068 19.668 9.043 1.00 0.00 H new ATOM 948 N LEU A 60 7.412 19.667 10.574 1.00 0.00 N ATOM 949 CA LEU A 60 8.671 20.362 10.825 1.00 0.00 C ATOM 950 C LEU A 60 9.631 19.442 11.582 1.00 0.00 C ATOM 951 O LEU A 60 10.720 19.125 11.099 1.00 0.00 O ATOM 952 CB LEU A 60 8.413 21.641 11.645 1.00 0.00 C ATOM 953 CG LEU A 60 7.979 22.876 10.836 1.00 0.00 C ATOM 954 CD1 LEU A 60 9.189 23.516 10.147 1.00 0.00 C ATOM 955 CD2 LEU A 60 6.869 22.582 9.820 1.00 0.00 C ATOM 0 H LEU A 60 6.588 20.179 10.891 1.00 0.00 H new ATOM 0 HA LEU A 60 9.120 20.638 9.871 1.00 0.00 H new ATOM 0 HB2 LEU A 60 7.643 21.426 12.386 1.00 0.00 H new ATOM 0 HB3 LEU A 60 9.322 21.889 12.192 1.00 0.00 H new ATOM 0 HG LEU A 60 7.555 23.580 11.552 1.00 0.00 H new ATOM 0 HD11 LEU A 60 8.865 24.388 9.579 1.00 0.00 H new ATOM 0 HD12 LEU A 60 9.916 23.822 10.899 1.00 0.00 H new ATOM 0 HD13 LEU A 60 9.648 22.793 9.472 1.00 0.00 H new ATOM 0 HD21 LEU A 60 6.613 23.497 9.286 1.00 0.00 H new ATOM 0 HD22 LEU A 60 7.216 21.832 9.109 1.00 0.00 H new ATOM 0 HD23 LEU A 60 5.988 22.208 10.342 1.00 0.00 H new ATOM 967 N ASP A 61 9.211 19.020 12.775 1.00 0.00 N ATOM 968 CA ASP A 61 10.030 18.235 13.684 1.00 0.00 C ATOM 969 C ASP A 61 10.389 16.880 13.083 1.00 0.00 C ATOM 970 O ASP A 61 11.506 16.409 13.265 1.00 0.00 O ATOM 971 CB ASP A 61 9.296 18.053 15.016 1.00 0.00 C ATOM 972 CG ASP A 61 10.131 17.222 15.986 1.00 0.00 C ATOM 973 OD1 ASP A 61 11.101 17.792 16.531 1.00 0.00 O ATOM 974 OD2 ASP A 61 9.788 16.032 16.159 1.00 0.00 O ATOM 0 H ASP A 61 8.279 19.219 13.137 1.00 0.00 H new ATOM 0 HA ASP A 61 10.961 18.774 13.857 1.00 0.00 H new ATOM 0 HB2 ASP A 61 9.083 19.028 15.455 1.00 0.00 H new ATOM 0 HB3 ASP A 61 8.337 17.565 14.844 1.00 0.00 H new ATOM 979 N ARG A 62 9.443 16.234 12.400 1.00 0.00 N ATOM 980 CA ARG A 62 9.650 14.880 11.909 1.00 0.00 C ATOM 981 C ARG A 62 10.486 14.863 10.623 1.00 0.00 C ATOM 982 O ARG A 62 11.219 13.907 10.392 1.00 0.00 O ATOM 983 CB ARG A 62 8.312 14.129 11.834 1.00 0.00 C ATOM 984 CG ARG A 62 7.479 14.394 10.573 1.00 0.00 C ATOM 985 CD ARG A 62 7.661 13.249 9.572 1.00 0.00 C ATOM 986 NE ARG A 62 6.845 13.451 8.369 1.00 0.00 N ATOM 987 CZ ARG A 62 6.445 12.471 7.545 1.00 0.00 C ATOM 988 NH1 ARG A 62 6.746 11.193 7.802 1.00 0.00 N ATOM 989 NH2 ARG A 62 5.731 12.779 6.461 1.00 0.00 N ATOM 0 H ARG A 62 8.530 16.629 12.177 1.00 0.00 H new ATOM 0 HA ARG A 62 10.257 14.322 12.622 1.00 0.00 H new ATOM 0 HB2 ARG A 62 8.511 13.059 11.899 1.00 0.00 H new ATOM 0 HB3 ARG A 62 7.715 14.396 12.706 1.00 0.00 H new ATOM 0 HG2 ARG A 62 6.426 14.493 10.837 1.00 0.00 H new ATOM 0 HG3 ARG A 62 7.783 15.337 10.118 1.00 0.00 H new ATOM 0 HD2 ARG A 62 8.712 13.173 9.292 1.00 0.00 H new ATOM 0 HD3 ARG A 62 7.388 12.305 10.044 1.00 0.00 H new ATOM 0 HE ARG A 62 6.562 14.405 8.143 1.00 0.00 H new ATOM 0 HH11 ARG A 62 7.286 10.954 8.633 1.00 0.00 H new ATOM 0 HH12 ARG A 62 6.435 10.458 7.167 1.00 0.00 H new ATOM 0 HH21 ARG A 62 5.494 13.752 6.266 1.00 0.00 H new ATOM 0 HH22 ARG A 62 5.422 12.042 5.828 1.00 0.00 H new ATOM 1068 N GLU A 67 14.145 15.146 3.586 1.00 0.00 N ATOM 1069 CA GLU A 67 13.052 14.454 2.935 1.00 0.00 C ATOM 1070 C GLU A 67 12.713 13.143 3.657 1.00 0.00 C ATOM 1071 O GLU A 67 13.571 12.543 4.307 1.00 0.00 O ATOM 1072 CB GLU A 67 13.387 14.248 1.448 1.00 0.00 C ATOM 1073 CG GLU A 67 14.461 13.186 1.164 1.00 0.00 C ATOM 1074 CD GLU A 67 15.846 13.486 1.734 1.00 0.00 C ATOM 1075 OE1 GLU A 67 16.194 14.687 1.801 1.00 0.00 O ATOM 1076 OE2 GLU A 67 16.529 12.509 2.108 1.00 0.00 O ATOM 0 HA GLU A 67 12.151 15.066 2.991 1.00 0.00 H new ATOM 0 HB2 GLU A 67 12.474 13.970 0.921 1.00 0.00 H new ATOM 0 HB3 GLU A 67 13.719 15.199 1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 67 14.120 12.232 1.566 1.00 0.00 H new ATOM 0 HG3 GLU A 67 14.550 13.063 0.085 1.00 0.00 H new ATOM 1083 N VAL A 68 11.466 12.696 3.508 1.00 0.00 N ATOM 1084 CA VAL A 68 10.948 11.429 3.996 1.00 0.00 C ATOM 1085 C VAL A 68 10.740 10.501 2.797 1.00 0.00 C ATOM 1086 O VAL A 68 10.457 10.980 1.696 1.00 0.00 O ATOM 1087 CB VAL A 68 9.638 11.670 4.769 1.00 0.00 C ATOM 1088 CG1 VAL A 68 9.843 12.664 5.917 1.00 0.00 C ATOM 1089 CG2 VAL A 68 8.466 12.129 3.897 1.00 0.00 C ATOM 0 H VAL A 68 10.757 13.241 3.017 1.00 0.00 H new ATOM 0 HA VAL A 68 11.650 10.959 4.684 1.00 0.00 H new ATOM 0 HB VAL A 68 9.368 10.692 5.167 1.00 0.00 H new ATOM 0 HG11 VAL A 68 8.900 12.812 6.443 1.00 0.00 H new ATOM 0 HG12 VAL A 68 10.587 12.271 6.610 1.00 0.00 H new ATOM 0 HG13 VAL A 68 10.189 13.617 5.516 1.00 0.00 H new ATOM 0 HG21 VAL A 68 7.584 12.275 4.521 1.00 0.00 H new ATOM 0 HG22 VAL A 68 8.723 13.068 3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 68 8.255 11.371 3.142 1.00 0.00 H new ATOM 1099 N ASN A 69 10.888 9.185 2.996 1.00 0.00 N ATOM 1100 CA ASN A 69 10.620 8.180 1.965 1.00 0.00 C ATOM 1101 C ASN A 69 9.156 7.756 1.973 1.00 0.00 C ATOM 1102 O ASN A 69 8.432 8.038 2.928 1.00 0.00 O ATOM 1103 CB ASN A 69 11.549 6.959 2.102 1.00 0.00 C ATOM 1104 CG ASN A 69 10.932 5.823 2.921 1.00 0.00 C ATOM 1105 OD1 ASN A 69 10.338 4.897 2.373 1.00 0.00 O ATOM 1106 ND2 ASN A 69 11.036 5.888 4.240 1.00 0.00 N ATOM 0 H ASN A 69 11.199 8.788 3.883 1.00 0.00 H new ATOM 0 HA ASN A 69 10.831 8.644 1.002 1.00 0.00 H new ATOM 0 HB2 ASN A 69 11.800 6.588 1.108 1.00 0.00 H new ATOM 0 HB3 ASN A 69 12.482 7.271 2.571 1.00 0.00 H new ATOM 0 HD21 ASN A 69 10.619 5.161 4.821 1.00 0.00 H new ATOM 0 HD22 ASN A 69 11.533 6.665 4.675 1.00 0.00 H new ATOM 1113 N PHE A 70 8.757 7.021 0.932 1.00 0.00 N ATOM 1114 CA PHE A 70 7.456 6.376 0.823 1.00 0.00 C ATOM 1115 C PHE A 70 6.910 5.897 2.175 1.00 0.00 C ATOM 1116 O PHE A 70 5.888 6.400 2.628 1.00 0.00 O ATOM 1117 CB PHE A 70 7.533 5.229 -0.192 1.00 0.00 C ATOM 1118 CG PHE A 70 6.229 4.471 -0.354 1.00 0.00 C ATOM 1119 CD1 PHE A 70 5.122 5.103 -0.948 1.00 0.00 C ATOM 1120 CD2 PHE A 70 6.104 3.159 0.141 1.00 0.00 C ATOM 1121 CE1 PHE A 70 3.903 4.414 -1.078 1.00 0.00 C ATOM 1122 CE2 PHE A 70 4.888 2.468 0.003 1.00 0.00 C ATOM 1123 CZ PHE A 70 3.788 3.092 -0.609 1.00 0.00 C ATOM 0 H PHE A 70 9.352 6.856 0.120 1.00 0.00 H new ATOM 0 HA PHE A 70 6.745 7.122 0.468 1.00 0.00 H new ATOM 0 HB2 PHE A 70 7.832 5.631 -1.160 1.00 0.00 H new ATOM 0 HB3 PHE A 70 8.312 4.533 0.118 1.00 0.00 H new ATOM 0 HD1 PHE A 70 5.208 6.119 -1.305 1.00 0.00 H new ATOM 0 HD2 PHE A 70 6.943 2.683 0.627 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.055 4.899 -1.538 1.00 0.00 H new ATOM 0 HE2 PHE A 70 4.799 1.455 0.368 1.00 0.00 H new ATOM 0 HZ PHE A 70 2.856 2.558 -0.719 1.00 0.00 H new ATOM 1133 N GLN A 71 7.573 4.959 2.861 1.00 0.00 N ATOM 1134 CA GLN A 71 7.005 4.399 4.087 1.00 0.00 C ATOM 1135 C GLN A 71 6.829 5.466 5.173 1.00 0.00 C ATOM 1136 O GLN A 71 5.908 5.375 5.981 1.00 0.00 O ATOM 1137 CB GLN A 71 7.835 3.215 4.601 1.00 0.00 C ATOM 1138 CG GLN A 71 7.054 2.357 5.617 1.00 0.00 C ATOM 1139 CD GLN A 71 5.947 1.546 4.954 1.00 0.00 C ATOM 1140 OE1 GLN A 71 6.222 0.642 4.175 1.00 0.00 O ATOM 1141 NE2 GLN A 71 4.690 1.850 5.266 1.00 0.00 N ATOM 0 H GLN A 71 8.482 4.580 2.595 1.00 0.00 H new ATOM 0 HA GLN A 71 6.013 4.024 3.837 1.00 0.00 H new ATOM 0 HB2 GLN A 71 8.138 2.593 3.759 1.00 0.00 H new ATOM 0 HB3 GLN A 71 8.747 3.587 5.067 1.00 0.00 H new ATOM 0 HG2 GLN A 71 7.742 1.682 6.125 1.00 0.00 H new ATOM 0 HG3 GLN A 71 6.621 3.004 6.380 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.496 2.609 5.919 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.920 1.324 4.852 1.00 0.00 H new ATOM 1150 N GLU A 72 7.690 6.485 5.216 1.00 0.00 N ATOM 1151 CA GLU A 72 7.538 7.578 6.167 1.00 0.00 C ATOM 1152 C GLU A 72 6.350 8.463 5.771 1.00 0.00 C ATOM 1153 O GLU A 72 5.615 8.939 6.639 1.00 0.00 O ATOM 1154 CB GLU A 72 8.835 8.380 6.242 1.00 0.00 C ATOM 1155 CG GLU A 72 9.961 7.621 6.949 1.00 0.00 C ATOM 1156 CD GLU A 72 11.299 8.309 6.698 1.00 0.00 C ATOM 1157 OE1 GLU A 72 11.746 8.243 5.529 1.00 0.00 O ATOM 1158 OE2 GLU A 72 11.836 8.897 7.658 1.00 0.00 O ATOM 0 H GLU A 72 8.499 6.572 4.601 1.00 0.00 H new ATOM 0 HA GLU A 72 7.332 7.173 7.158 1.00 0.00 H new ATOM 0 HB2 GLU A 72 9.155 8.639 5.233 1.00 0.00 H new ATOM 0 HB3 GLU A 72 8.648 9.316 6.768 1.00 0.00 H new ATOM 0 HG2 GLU A 72 9.762 7.576 8.020 1.00 0.00 H new ATOM 0 HG3 GLU A 72 9.999 6.593 6.588 1.00 0.00 H new ATOM 1165 N TYR A 73 6.138 8.689 4.472 1.00 0.00 N ATOM 1166 CA TYR A 73 4.918 9.327 3.991 1.00 0.00 C ATOM 1167 C TYR A 73 3.708 8.512 4.476 1.00 0.00 C ATOM 1168 O TYR A 73 2.782 9.056 5.080 1.00 0.00 O ATOM 1169 CB TYR A 73 4.956 9.495 2.459 1.00 0.00 C ATOM 1170 CG TYR A 73 3.637 9.271 1.730 1.00 0.00 C ATOM 1171 CD1 TYR A 73 2.688 10.306 1.638 1.00 0.00 C ATOM 1172 CD2 TYR A 73 3.377 8.036 1.104 1.00 0.00 C ATOM 1173 CE1 TYR A 73 1.516 10.121 0.881 1.00 0.00 C ATOM 1174 CE2 TYR A 73 2.182 7.837 0.393 1.00 0.00 C ATOM 1175 CZ TYR A 73 1.272 8.894 0.242 1.00 0.00 C ATOM 1176 OH TYR A 73 0.176 8.745 -0.556 1.00 0.00 O ATOM 0 H TYR A 73 6.799 8.438 3.737 1.00 0.00 H new ATOM 0 HA TYR A 73 4.831 10.334 4.400 1.00 0.00 H new ATOM 0 HB2 TYR A 73 5.307 10.502 2.232 1.00 0.00 H new ATOM 0 HB3 TYR A 73 5.694 8.802 2.055 1.00 0.00 H new ATOM 0 HD1 TYR A 73 2.859 11.242 2.148 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.101 7.237 1.171 1.00 0.00 H new ATOM 0 HE1 TYR A 73 0.801 10.926 0.791 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.964 6.871 -0.037 1.00 0.00 H new ATOM 0 HH TYR A 73 0.325 8.006 -1.182 1.00 0.00 H new ATOM 1186 N ILE A 74 3.738 7.194 4.260 1.00 0.00 N ATOM 1187 CA ILE A 74 2.696 6.300 4.748 1.00 0.00 C ATOM 1188 C ILE A 74 2.552 6.442 6.265 1.00 0.00 C ATOM 1189 O ILE A 74 1.434 6.451 6.766 1.00 0.00 O ATOM 1190 CB ILE A 74 2.967 4.837 4.359 1.00 0.00 C ATOM 1191 CG1 ILE A 74 3.076 4.587 2.841 1.00 0.00 C ATOM 1192 CG2 ILE A 74 1.866 3.945 4.924 1.00 0.00 C ATOM 1193 CD1 ILE A 74 1.750 4.728 2.085 1.00 0.00 C ATOM 0 H ILE A 74 4.482 6.724 3.745 1.00 0.00 H new ATOM 0 HA ILE A 74 1.758 6.588 4.273 1.00 0.00 H new ATOM 0 HB ILE A 74 3.941 4.596 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 74 3.798 5.287 2.420 1.00 0.00 H new ATOM 0 HG13 ILE A 74 3.470 3.584 2.676 1.00 0.00 H new ATOM 0 HG21 ILE A 74 2.060 2.909 4.647 1.00 0.00 H new ATOM 0 HG22 ILE A 74 1.848 4.033 6.010 1.00 0.00 H new ATOM 0 HG23 ILE A 74 0.903 4.255 4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 74 1.914 4.537 1.025 1.00 0.00 H new ATOM 0 HD12 ILE A 74 1.030 4.010 2.477 1.00 0.00 H new ATOM 0 HD13 ILE A 74 1.362 5.738 2.216 1.00 0.00 H new ATOM 1205 N THR A 75 3.655 6.546 7.009 1.00 0.00 N ATOM 1206 CA THR A 75 3.603 6.736 8.453 1.00 0.00 C ATOM 1207 C THR A 75 2.845 8.018 8.797 1.00 0.00 C ATOM 1208 O THR A 75 2.029 8.024 9.711 1.00 0.00 O ATOM 1209 CB THR A 75 5.009 6.692 9.072 1.00 0.00 C ATOM 1210 OG1 THR A 75 5.640 5.475 8.729 1.00 0.00 O ATOM 1211 CG2 THR A 75 4.957 6.769 10.601 1.00 0.00 C ATOM 0 H THR A 75 4.600 6.501 6.628 1.00 0.00 H new ATOM 0 HA THR A 75 3.049 5.908 8.895 1.00 0.00 H new ATOM 0 HB THR A 75 5.560 7.550 8.685 1.00 0.00 H new ATOM 0 HG1 THR A 75 5.814 5.457 7.765 1.00 0.00 H new ATOM 0 HG21 THR A 75 5.970 6.735 11.002 1.00 0.00 H new ATOM 0 HG22 THR A 75 4.479 7.701 10.902 1.00 0.00 H new ATOM 0 HG23 THR A 75 4.385 5.926 10.989 1.00 0.00 H new ATOM 1219 N PHE A 76 3.079 9.100 8.049 1.00 0.00 N ATOM 1220 CA PHE A 76 2.323 10.340 8.205 1.00 0.00 C ATOM 1221 C PHE A 76 0.821 10.054 8.084 1.00 0.00 C ATOM 1222 O PHE A 76 0.044 10.368 8.987 1.00 0.00 O ATOM 1223 CB PHE A 76 2.800 11.356 7.157 1.00 0.00 C ATOM 1224 CG PHE A 76 2.597 12.824 7.487 1.00 0.00 C ATOM 1225 CD1 PHE A 76 3.376 13.428 8.493 1.00 0.00 C ATOM 1226 CD2 PHE A 76 1.824 13.632 6.630 1.00 0.00 C ATOM 1227 CE1 PHE A 76 3.383 14.826 8.642 1.00 0.00 C ATOM 1228 CE2 PHE A 76 1.836 15.030 6.775 1.00 0.00 C ATOM 1229 CZ PHE A 76 2.609 15.627 7.785 1.00 0.00 C ATOM 0 H PHE A 76 3.794 9.139 7.323 1.00 0.00 H new ATOM 0 HA PHE A 76 2.495 10.766 9.194 1.00 0.00 H new ATOM 0 HB2 PHE A 76 3.863 11.191 6.982 1.00 0.00 H new ATOM 0 HB3 PHE A 76 2.286 11.144 6.219 1.00 0.00 H new ATOM 0 HD1 PHE A 76 3.971 12.814 9.153 1.00 0.00 H new ATOM 0 HD2 PHE A 76 1.220 13.176 5.859 1.00 0.00 H new ATOM 0 HE1 PHE A 76 3.983 15.284 9.415 1.00 0.00 H new ATOM 0 HE2 PHE A 76 1.250 15.646 6.109 1.00 0.00 H new ATOM 0 HZ PHE A 76 2.608 16.701 7.903 1.00 0.00 H new ATOM 1239 N LEU A 77 0.418 9.421 6.976 1.00 0.00 N ATOM 1240 CA LEU A 77 -0.982 9.082 6.732 1.00 0.00 C ATOM 1241 C LEU A 77 -1.539 8.137 7.801 1.00 0.00 C ATOM 1242 O LEU A 77 -2.682 8.274 8.228 1.00 0.00 O ATOM 1243 CB LEU A 77 -1.153 8.449 5.344 1.00 0.00 C ATOM 1244 CG LEU A 77 -0.755 9.348 4.163 1.00 0.00 C ATOM 1245 CD1 LEU A 77 -1.113 8.610 2.869 1.00 0.00 C ATOM 1246 CD2 LEU A 77 -1.467 10.706 4.189 1.00 0.00 C ATOM 0 H LEU A 77 1.051 9.133 6.230 1.00 0.00 H new ATOM 0 HA LEU A 77 -1.546 10.013 6.778 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -0.558 7.537 5.302 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -2.196 8.156 5.222 1.00 0.00 H new ATOM 0 HG LEU A 77 0.314 9.550 4.229 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -0.841 9.226 2.012 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -0.568 7.667 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -2.185 8.412 2.848 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -1.149 11.300 3.332 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -2.545 10.552 4.144 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.214 11.232 5.110 1.00 0.00 H new ATOM 1258 N GLY A 78 -0.752 7.152 8.225 1.00 0.00 N ATOM 1259 CA GLY A 78 -1.176 6.151 9.181 1.00 0.00 C ATOM 1260 C GLY A 78 -1.365 6.778 10.558 1.00 0.00 C ATOM 1261 O GLY A 78 -2.371 6.532 11.213 1.00 0.00 O ATOM 0 H GLY A 78 0.209 7.031 7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -2.110 5.696 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -0.434 5.354 9.236 1.00 0.00 H new ATOM 1265 N ALA A 79 -0.429 7.623 10.994 1.00 0.00 N ATOM 1266 CA ALA A 79 -0.548 8.355 12.244 1.00 0.00 C ATOM 1267 C ALA A 79 -1.734 9.321 12.183 1.00 0.00 C ATOM 1268 O ALA A 79 -2.519 9.396 13.127 1.00 0.00 O ATOM 1269 CB ALA A 79 0.765 9.087 12.536 1.00 0.00 C ATOM 0 H ALA A 79 0.433 7.815 10.484 1.00 0.00 H new ATOM 0 HA ALA A 79 -0.737 7.658 13.060 1.00 0.00 H new ATOM 0 HB1 ALA A 79 0.675 9.636 13.474 1.00 0.00 H new ATOM 0 HB2 ALA A 79 1.575 8.363 12.616 1.00 0.00 H new ATOM 0 HB3 ALA A 79 0.980 9.785 11.727 1.00 0.00 H new ATOM 1275 N LEU A 80 -1.887 10.046 11.069 1.00 0.00 N ATOM 1276 CA LEU A 80 -3.053 10.891 10.827 1.00 0.00 C ATOM 1277 C LEU A 80 -4.330 10.083 11.056 1.00 0.00 C ATOM 1278 O LEU A 80 -5.182 10.448 11.872 1.00 0.00 O ATOM 1279 CB LEU A 80 -3.006 11.423 9.384 1.00 0.00 C ATOM 1280 CG LEU A 80 -4.221 12.284 9.022 1.00 0.00 C ATOM 1281 CD1 LEU A 80 -4.029 13.686 9.577 1.00 0.00 C ATOM 1282 CD2 LEU A 80 -4.385 12.378 7.508 1.00 0.00 C ATOM 0 H LEU A 80 -1.203 10.061 10.312 1.00 0.00 H new ATOM 0 HA LEU A 80 -3.046 11.735 11.517 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -2.098 12.011 9.249 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -2.946 10.581 8.694 1.00 0.00 H new ATOM 0 HG LEU A 80 -5.110 11.822 9.450 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -4.892 14.300 9.321 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -3.927 13.637 10.661 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.129 14.127 9.148 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -5.253 12.994 7.274 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -3.493 12.828 7.073 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -4.526 11.379 7.095 1.00 0.00 H new ATOM 1294 N ALA A 81 -4.442 8.978 10.316 1.00 0.00 N ATOM 1295 CA ALA A 81 -5.550 8.054 10.406 1.00 0.00 C ATOM 1296 C ALA A 81 -5.764 7.624 11.852 1.00 0.00 C ATOM 1297 O ALA A 81 -6.898 7.639 12.320 1.00 0.00 O ATOM 1298 CB ALA A 81 -5.287 6.849 9.505 1.00 0.00 C ATOM 0 H ALA A 81 -3.744 8.704 9.625 1.00 0.00 H new ATOM 0 HA ALA A 81 -6.461 8.547 10.067 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -6.123 6.153 9.574 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -5.177 7.183 8.473 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.372 6.349 9.824 1.00 0.00 H new ATOM 1304 N MET A 82 -4.688 7.247 12.545 1.00 0.00 N ATOM 1305 CA MET A 82 -4.729 6.794 13.922 1.00 0.00 C ATOM 1306 C MET A 82 -5.329 7.868 14.829 1.00 0.00 C ATOM 1307 O MET A 82 -6.178 7.554 15.660 1.00 0.00 O ATOM 1308 CB MET A 82 -3.329 6.360 14.378 1.00 0.00 C ATOM 1309 CG MET A 82 -3.394 5.474 15.627 1.00 0.00 C ATOM 1310 SD MET A 82 -1.805 5.133 16.429 1.00 0.00 S ATOM 1311 CE MET A 82 -0.935 4.252 15.112 1.00 0.00 C ATOM 0 H MET A 82 -3.748 7.251 12.149 1.00 0.00 H new ATOM 0 HA MET A 82 -5.381 5.923 13.992 1.00 0.00 H new ATOM 0 HB2 MET A 82 -2.834 5.818 13.572 1.00 0.00 H new ATOM 0 HB3 MET A 82 -2.724 7.242 14.588 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.053 5.949 16.354 1.00 0.00 H new ATOM 0 HG3 MET A 82 -3.854 4.524 15.353 1.00 0.00 H new ATOM 0 HE1 MET A 82 0.034 3.913 15.479 1.00 0.00 H new ATOM 0 HE2 MET A 82 -1.525 3.391 14.798 1.00 0.00 H new ATOM 0 HE3 MET A 82 -0.788 4.920 14.263 1.00 0.00 H new ATOM 1321 N ILE A 83 -4.891 9.127 14.695 1.00 0.00 N ATOM 1322 CA ILE A 83 -5.475 10.203 15.485 1.00 0.00 C ATOM 1323 C ILE A 83 -6.951 10.372 15.123 1.00 0.00 C ATOM 1324 O ILE A 83 -7.792 10.225 16.005 1.00 0.00 O ATOM 1325 CB ILE A 83 -4.696 11.530 15.382 1.00 0.00 C ATOM 1326 CG1 ILE A 83 -3.259 11.403 15.917 1.00 0.00 C ATOM 1327 CG2 ILE A 83 -5.429 12.620 16.186 1.00 0.00 C ATOM 1328 CD1 ILE A 83 -2.487 12.728 15.824 1.00 0.00 C ATOM 0 H ILE A 83 -4.148 9.416 14.058 1.00 0.00 H new ATOM 0 HA ILE A 83 -5.401 9.915 16.534 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.643 11.795 14.326 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -3.287 11.073 16.955 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -2.729 10.635 15.353 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -4.878 13.558 16.113 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.433 12.756 15.783 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -5.495 12.318 17.231 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -1.478 12.589 16.213 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -2.434 13.046 14.783 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -3.000 13.490 16.410 1.00 0.00 H new ATOM 1340 N TYR A 84 -7.291 10.734 13.875 1.00 0.00 N ATOM 1341 CA TYR A 84 -8.684 11.105 13.622 1.00 0.00 C ATOM 1342 C TYR A 84 -9.645 9.915 13.739 1.00 0.00 C ATOM 1343 O TYR A 84 -10.742 10.070 14.274 1.00 0.00 O ATOM 1344 CB TYR A 84 -8.910 12.111 12.475 1.00 0.00 C ATOM 1345 CG TYR A 84 -8.383 11.863 11.073 1.00 0.00 C ATOM 1346 CD1 TYR A 84 -8.564 10.625 10.429 1.00 0.00 C ATOM 1347 CD2 TYR A 84 -8.028 12.988 10.303 1.00 0.00 C ATOM 1348 CE1 TYR A 84 -8.335 10.510 9.044 1.00 0.00 C ATOM 1349 CE2 TYR A 84 -7.723 12.860 8.942 1.00 0.00 C ATOM 1350 CZ TYR A 84 -7.909 11.623 8.301 1.00 0.00 C ATOM 1351 OH TYR A 84 -7.792 11.536 6.945 1.00 0.00 O ATOM 0 H TYR A 84 -6.662 10.776 13.073 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.985 11.740 14.455 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -9.987 12.250 12.386 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -8.492 13.062 12.804 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -8.879 9.762 10.997 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.991 13.962 10.768 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -8.488 9.561 8.551 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.347 13.707 8.388 1.00 0.00 H new ATOM 0 HH TYR A 84 -8.638 11.220 6.563 1.00 0.00 H new ATOM 1361 N ASN A 85 -9.229 8.704 13.351 1.00 0.00 N ATOM 1362 CA ASN A 85 -9.982 7.494 13.677 1.00 0.00 C ATOM 1363 C ASN A 85 -9.558 7.083 15.083 1.00 0.00 C ATOM 1364 O ASN A 85 -8.932 6.040 15.263 1.00 0.00 O ATOM 1365 CB ASN A 85 -9.747 6.336 12.694 1.00 0.00 C ATOM 1366 CG ASN A 85 -10.067 6.700 11.256 1.00 0.00 C ATOM 1367 OD1 ASN A 85 -11.183 6.518 10.781 1.00 0.00 O ATOM 1368 ND2 ASN A 85 -9.064 7.196 10.545 1.00 0.00 N ATOM 0 H ASN A 85 -8.378 8.539 12.813 1.00 0.00 H new ATOM 0 HA ASN A 85 -11.047 7.714 13.610 1.00 0.00 H new ATOM 0 HB2 ASN A 85 -8.706 6.018 12.759 1.00 0.00 H new ATOM 0 HB3 ASN A 85 -10.359 5.485 12.992 1.00 0.00 H new ATOM 0 HD21 ASN A 85 -9.206 7.441 9.565 1.00 0.00 H new ATOM 0 HD22 ASN A 85 -8.150 7.332 10.978 1.00 0.00 H new ATOM 1375 N GLU A 86 -9.913 7.915 16.067 1.00 0.00 N ATOM 1376 CA GLU A 86 -9.504 7.811 17.468 1.00 0.00 C ATOM 1377 C GLU A 86 -9.539 6.370 17.969 1.00 0.00 C ATOM 1378 O GLU A 86 -8.651 5.938 18.699 1.00 0.00 O ATOM 1379 CB GLU A 86 -10.412 8.700 18.332 1.00 0.00 C ATOM 1380 CG GLU A 86 -10.184 10.177 17.990 1.00 0.00 C ATOM 1381 CD GLU A 86 -11.113 11.140 18.723 1.00 0.00 C ATOM 1382 OE1 GLU A 86 -11.698 10.719 19.743 1.00 0.00 O ATOM 1383 OE2 GLU A 86 -11.216 12.291 18.239 1.00 0.00 O ATOM 0 H GLU A 86 -10.522 8.716 15.899 1.00 0.00 H new ATOM 0 HA GLU A 86 -8.471 8.152 17.545 1.00 0.00 H new ATOM 0 HB2 GLU A 86 -11.457 8.437 18.165 1.00 0.00 H new ATOM 0 HB3 GLU A 86 -10.205 8.527 19.388 1.00 0.00 H new ATOM 0 HG2 GLU A 86 -9.152 10.437 18.224 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -10.312 10.313 16.916 1.00 0.00 H new ATOM 1390 N ALA A 87 -10.566 5.631 17.540 1.00 0.00 N ATOM 1391 CA ALA A 87 -10.724 4.202 17.734 1.00 0.00 C ATOM 1392 C ALA A 87 -9.393 3.435 17.734 1.00 0.00 C ATOM 1393 O ALA A 87 -9.114 2.660 18.647 1.00 0.00 O ATOM 1394 CB ALA A 87 -11.632 3.666 16.622 1.00 0.00 C ATOM 0 H ALA A 87 -11.344 6.041 17.023 1.00 0.00 H new ATOM 0 HA ALA A 87 -11.163 4.046 18.719 1.00 0.00 H new ATOM 0 HB1 ALA A 87 -11.765 2.591 16.747 1.00 0.00 H new ATOM 0 HB2 ALA A 87 -12.602 4.161 16.674 1.00 0.00 H new ATOM 0 HB3 ALA A 87 -11.175 3.864 15.652 1.00 0.00 H new ATOM 1400 N LEU A 88 -8.566 3.661 16.708 1.00 0.00 N ATOM 1401 CA LEU A 88 -7.319 2.938 16.494 1.00 0.00 C ATOM 1402 C LEU A 88 -6.311 3.115 17.636 1.00 0.00 C ATOM 1403 O LEU A 88 -5.404 2.297 17.766 1.00 0.00 O ATOM 1404 CB LEU A 88 -6.704 3.339 15.145 1.00 0.00 C ATOM 1405 CG LEU A 88 -7.630 3.116 13.934 1.00 0.00 C ATOM 1406 CD1 LEU A 88 -6.877 3.435 12.638 1.00 0.00 C ATOM 1407 CD2 LEU A 88 -8.158 1.680 13.864 1.00 0.00 C ATOM 0 H LEU A 88 -8.752 4.365 15.994 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.565 1.876 16.478 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.425 4.392 15.185 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -5.786 2.771 14.995 1.00 0.00 H new ATOM 0 HG LEU A 88 -8.483 3.783 14.054 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -7.537 3.275 11.785 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -6.549 4.474 12.654 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -6.008 2.782 12.552 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -8.806 1.573 12.994 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -7.320 0.988 13.780 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -8.725 1.456 14.768 1.00 0.00 H new ATOM 1469 N ALA B 2 -14.475 12.905 2.259 1.00 0.00 N ATOM 1470 CA ALA B 2 -13.773 11.648 2.056 1.00 0.00 C ATOM 1471 C ALA B 2 -13.032 11.683 0.716 1.00 0.00 C ATOM 1472 O ALA B 2 -13.415 11.000 -0.232 1.00 0.00 O ATOM 1473 CB ALA B 2 -14.743 10.467 2.148 1.00 0.00 C ATOM 0 HA ALA B 2 -13.034 11.512 2.845 1.00 0.00 H new ATOM 0 HB1 ALA B 2 -14.198 9.536 1.993 1.00 0.00 H new ATOM 0 HB2 ALA B 2 -15.209 10.455 3.133 1.00 0.00 H new ATOM 0 HB3 ALA B 2 -15.513 10.568 1.383 1.00 0.00 H new ATOM 1479 N SER B 3 -11.971 12.487 0.634 1.00 0.00 N ATOM 1480 CA SER B 3 -11.105 12.548 -0.535 1.00 0.00 C ATOM 1481 C SER B 3 -10.552 11.153 -0.879 1.00 0.00 C ATOM 1482 O SER B 3 -10.531 10.286 -0.004 1.00 0.00 O ATOM 1483 CB SER B 3 -9.964 13.522 -0.229 1.00 0.00 C ATOM 1484 OG SER B 3 -10.467 14.677 0.411 1.00 0.00 O ATOM 0 H SER B 3 -11.690 13.117 1.385 1.00 0.00 H new ATOM 0 HA SER B 3 -11.671 12.894 -1.400 1.00 0.00 H new ATOM 0 HB2 SER B 3 -9.224 13.038 0.408 1.00 0.00 H new ATOM 0 HB3 SER B 3 -9.457 13.801 -1.153 1.00 0.00 H new ATOM 0 HG SER B 3 -9.762 15.356 0.462 1.00 0.00 H new ATOM 1490 N PRO B 4 -10.052 10.926 -2.109 1.00 0.00 N ATOM 1491 CA PRO B 4 -9.482 9.650 -2.526 1.00 0.00 C ATOM 1492 C PRO B 4 -8.548 9.034 -1.481 1.00 0.00 C ATOM 1493 O PRO B 4 -8.716 7.872 -1.114 1.00 0.00 O ATOM 1494 CB PRO B 4 -8.774 9.930 -3.854 1.00 0.00 C ATOM 1495 CG PRO B 4 -9.637 11.041 -4.449 1.00 0.00 C ATOM 1496 CD PRO B 4 -10.022 11.867 -3.221 1.00 0.00 C ATOM 0 HA PRO B 4 -10.263 8.899 -2.642 1.00 0.00 H new ATOM 0 HB2 PRO B 4 -7.743 10.250 -3.706 1.00 0.00 H new ATOM 0 HB3 PRO B 4 -8.746 9.049 -4.495 1.00 0.00 H new ATOM 0 HG2 PRO B 4 -9.086 11.634 -5.179 1.00 0.00 H new ATOM 0 HG3 PRO B 4 -10.514 10.642 -4.959 1.00 0.00 H new ATOM 0 HD2 PRO B 4 -9.299 12.663 -3.042 1.00 0.00 H new ATOM 0 HD3 PRO B 4 -10.993 12.343 -3.358 1.00 0.00 H new ATOM 1504 N LEU B 5 -7.595 9.819 -0.965 1.00 0.00 N ATOM 1505 CA LEU B 5 -6.737 9.368 0.124 1.00 0.00 C ATOM 1506 C LEU B 5 -7.556 8.872 1.311 1.00 0.00 C ATOM 1507 O LEU B 5 -7.255 7.819 1.856 1.00 0.00 O ATOM 1508 CB LEU B 5 -5.796 10.480 0.617 1.00 0.00 C ATOM 1509 CG LEU B 5 -4.359 10.419 0.088 1.00 0.00 C ATOM 1510 CD1 LEU B 5 -3.521 11.436 0.879 1.00 0.00 C ATOM 1511 CD2 LEU B 5 -3.699 9.040 0.249 1.00 0.00 C ATOM 0 H LEU B 5 -7.403 10.768 -1.287 1.00 0.00 H new ATOM 0 HA LEU B 5 -6.143 8.550 -0.283 1.00 0.00 H new ATOM 0 HB2 LEU B 5 -6.225 11.443 0.340 1.00 0.00 H new ATOM 0 HB3 LEU B 5 -5.764 10.447 1.706 1.00 0.00 H new ATOM 0 HG LEU B 5 -4.400 10.635 -0.980 1.00 0.00 H new ATOM 0 HD11 LEU B 5 -2.491 11.414 0.523 1.00 0.00 H new ATOM 0 HD12 LEU B 5 -3.933 12.435 0.738 1.00 0.00 H new ATOM 0 HD13 LEU B 5 -3.544 11.181 1.938 1.00 0.00 H new ATOM 0 HD21 LEU B 5 -2.684 9.074 -0.148 1.00 0.00 H new ATOM 0 HD22 LEU B 5 -3.667 8.773 1.305 1.00 0.00 H new ATOM 0 HD23 LEU B 5 -4.277 8.294 -0.296 1.00 0.00 H new ATOM 1523 N ASP B 6 -8.562 9.634 1.743 1.00 0.00 N ATOM 1524 CA ASP B 6 -9.321 9.296 2.935 1.00 0.00 C ATOM 1525 C ASP B 6 -10.079 7.994 2.712 1.00 0.00 C ATOM 1526 O ASP B 6 -10.103 7.134 3.586 1.00 0.00 O ATOM 1527 CB ASP B 6 -10.270 10.430 3.321 1.00 0.00 C ATOM 1528 CG ASP B 6 -10.776 10.240 4.748 1.00 0.00 C ATOM 1529 OD1 ASP B 6 -9.939 10.388 5.669 1.00 0.00 O ATOM 1530 OD2 ASP B 6 -11.982 9.950 4.888 1.00 0.00 O ATOM 0 H ASP B 6 -8.866 10.490 1.280 1.00 0.00 H new ATOM 0 HA ASP B 6 -8.628 9.157 3.765 1.00 0.00 H new ATOM 0 HB2 ASP B 6 -9.756 11.387 3.235 1.00 0.00 H new ATOM 0 HB3 ASP B 6 -11.113 10.458 2.630 1.00 0.00 H new ATOM 1535 N GLN B 7 -10.676 7.834 1.528 1.00 0.00 N ATOM 1536 CA GLN B 7 -11.347 6.598 1.160 1.00 0.00 C ATOM 1537 C GLN B 7 -10.356 5.426 1.148 1.00 0.00 C ATOM 1538 O GLN B 7 -10.658 4.354 1.671 1.00 0.00 O ATOM 1539 CB GLN B 7 -12.052 6.778 -0.192 1.00 0.00 C ATOM 1540 CG GLN B 7 -12.750 5.510 -0.708 1.00 0.00 C ATOM 1541 CD GLN B 7 -13.816 4.971 0.243 1.00 0.00 C ATOM 1542 OE1 GLN B 7 -14.997 5.256 0.083 1.00 0.00 O ATOM 1543 NE2 GLN B 7 -13.421 4.179 1.237 1.00 0.00 N ATOM 0 H GLN B 7 -10.705 8.555 0.807 1.00 0.00 H new ATOM 0 HA GLN B 7 -12.106 6.359 1.904 1.00 0.00 H new ATOM 0 HB2 GLN B 7 -12.790 7.575 -0.102 1.00 0.00 H new ATOM 0 HB3 GLN B 7 -11.320 7.103 -0.931 1.00 0.00 H new ATOM 0 HG2 GLN B 7 -13.210 5.725 -1.672 1.00 0.00 H new ATOM 0 HG3 GLN B 7 -12.001 4.736 -0.878 1.00 0.00 H new ATOM 0 HE21 GLN B 7 -12.432 3.956 1.349 1.00 0.00 H new ATOM 0 HE22 GLN B 7 -14.107 3.795 1.886 1.00 0.00 H new ATOM 1552 N ALA B 8 -9.188 5.610 0.532 1.00 0.00 N ATOM 1553 CA ALA B 8 -8.170 4.573 0.415 1.00 0.00 C ATOM 1554 C ALA B 8 -7.631 4.166 1.796 1.00 0.00 C ATOM 1555 O ALA B 8 -7.541 2.984 2.128 1.00 0.00 O ATOM 1556 CB ALA B 8 -7.067 5.085 -0.505 1.00 0.00 C ATOM 0 H ALA B 8 -8.922 6.493 0.097 1.00 0.00 H new ATOM 0 HA ALA B 8 -8.603 3.671 -0.018 1.00 0.00 H new ATOM 0 HB1 ALA B 8 -6.294 4.323 -0.606 1.00 0.00 H new ATOM 0 HB2 ALA B 8 -7.486 5.309 -1.486 1.00 0.00 H new ATOM 0 HB3 ALA B 8 -6.631 5.990 -0.082 1.00 0.00 H new ATOM 1562 N ILE B 9 -7.305 5.157 2.626 1.00 0.00 N ATOM 1563 CA ILE B 9 -6.981 4.972 4.033 1.00 0.00 C ATOM 1564 C ILE B 9 -8.112 4.177 4.690 1.00 0.00 C ATOM 1565 O ILE B 9 -7.863 3.147 5.311 1.00 0.00 O ATOM 1566 CB ILE B 9 -6.741 6.349 4.687 1.00 0.00 C ATOM 1567 CG1 ILE B 9 -5.381 6.914 4.233 1.00 0.00 C ATOM 1568 CG2 ILE B 9 -6.805 6.283 6.218 1.00 0.00 C ATOM 1569 CD1 ILE B 9 -5.221 8.403 4.554 1.00 0.00 C ATOM 0 H ILE B 9 -7.259 6.131 2.328 1.00 0.00 H new ATOM 0 HA ILE B 9 -6.061 4.401 4.163 1.00 0.00 H new ATOM 0 HB ILE B 9 -7.541 7.013 4.360 1.00 0.00 H new ATOM 0 HG12 ILE B 9 -4.580 6.354 4.717 1.00 0.00 H new ATOM 0 HG13 ILE B 9 -5.271 6.764 3.159 1.00 0.00 H new ATOM 0 HG21 ILE B 9 -6.630 7.276 6.633 1.00 0.00 H new ATOM 0 HG22 ILE B 9 -7.789 5.929 6.526 1.00 0.00 H new ATOM 0 HG23 ILE B 9 -6.042 5.597 6.585 1.00 0.00 H new ATOM 0 HD11 ILE B 9 -4.245 8.746 4.212 1.00 0.00 H new ATOM 0 HD12 ILE B 9 -6.003 8.970 4.049 1.00 0.00 H new ATOM 0 HD13 ILE B 9 -5.302 8.554 5.630 1.00 0.00 H new ATOM 1581 N GLY B 10 -9.355 4.633 4.516 1.00 0.00 N ATOM 1582 CA GLY B 10 -10.561 3.962 4.975 1.00 0.00 C ATOM 1583 C GLY B 10 -10.558 2.480 4.603 1.00 0.00 C ATOM 1584 O GLY B 10 -10.810 1.632 5.454 1.00 0.00 O ATOM 0 H GLY B 10 -9.550 5.511 4.034 1.00 0.00 H new ATOM 0 HA2 GLY B 10 -10.646 4.066 6.057 1.00 0.00 H new ATOM 0 HA3 GLY B 10 -11.435 4.445 4.539 1.00 0.00 H new ATOM 1588 N LEU B 11 -10.255 2.162 3.344 1.00 0.00 N ATOM 1589 CA LEU B 11 -10.099 0.788 2.885 1.00 0.00 C ATOM 1590 C LEU B 11 -9.045 0.046 3.717 1.00 0.00 C ATOM 1591 O LEU B 11 -9.347 -1.008 4.272 1.00 0.00 O ATOM 1592 CB LEU B 11 -9.790 0.771 1.377 1.00 0.00 C ATOM 1593 CG LEU B 11 -11.069 0.728 0.526 1.00 0.00 C ATOM 1594 CD1 LEU B 11 -10.889 1.487 -0.794 1.00 0.00 C ATOM 1595 CD2 LEU B 11 -11.426 -0.730 0.215 1.00 0.00 C ATOM 0 H LEU B 11 -10.111 2.858 2.612 1.00 0.00 H new ATOM 0 HA LEU B 11 -11.036 0.250 3.032 1.00 0.00 H new ATOM 0 HB2 LEU B 11 -9.211 1.657 1.116 1.00 0.00 H new ATOM 0 HB3 LEU B 11 -9.171 -0.095 1.144 1.00 0.00 H new ATOM 0 HG LEU B 11 -11.868 1.205 1.094 1.00 0.00 H new ATOM 0 HD11 LEU B 11 -11.812 1.437 -1.371 1.00 0.00 H new ATOM 0 HD12 LEU B 11 -10.648 2.529 -0.585 1.00 0.00 H new ATOM 0 HD13 LEU B 11 -10.078 1.035 -1.366 1.00 0.00 H new ATOM 0 HD21 LEU B 11 -12.333 -0.762 -0.389 1.00 0.00 H new ATOM 0 HD22 LEU B 11 -10.608 -1.196 -0.335 1.00 0.00 H new ATOM 0 HD23 LEU B 11 -11.591 -1.271 1.147 1.00 0.00 H new ATOM 1607 N LEU B 12 -7.819 0.572 3.832 1.00 0.00 N ATOM 1608 CA LEU B 12 -6.764 -0.096 4.605 1.00 0.00 C ATOM 1609 C LEU B 12 -7.186 -0.319 6.067 1.00 0.00 C ATOM 1610 O LEU B 12 -6.975 -1.406 6.617 1.00 0.00 O ATOM 1611 CB LEU B 12 -5.429 0.666 4.508 1.00 0.00 C ATOM 1612 CG LEU B 12 -4.559 0.203 3.323 1.00 0.00 C ATOM 1613 CD1 LEU B 12 -5.246 0.429 1.978 1.00 0.00 C ATOM 1614 CD2 LEU B 12 -3.227 0.960 3.308 1.00 0.00 C ATOM 0 H LEU B 12 -7.534 1.452 3.403 1.00 0.00 H new ATOM 0 HA LEU B 12 -6.610 -1.080 4.163 1.00 0.00 H new ATOM 0 HB2 LEU B 12 -5.632 1.732 4.409 1.00 0.00 H new ATOM 0 HB3 LEU B 12 -4.872 0.532 5.435 1.00 0.00 H new ATOM 0 HG LEU B 12 -4.395 -0.866 3.461 1.00 0.00 H new ATOM 0 HD11 LEU B 12 -4.594 0.087 1.174 1.00 0.00 H new ATOM 0 HD12 LEU B 12 -6.181 -0.130 1.949 1.00 0.00 H new ATOM 0 HD13 LEU B 12 -5.454 1.491 1.850 1.00 0.00 H new ATOM 0 HD21 LEU B 12 -2.625 0.621 2.465 1.00 0.00 H new ATOM 0 HD22 LEU B 12 -3.417 2.029 3.211 1.00 0.00 H new ATOM 0 HD23 LEU B 12 -2.690 0.770 4.237 1.00 0.00 H new ATOM 1626 N ILE B 13 -7.777 0.699 6.700 1.00 0.00 N ATOM 1627 CA ILE B 13 -8.348 0.584 8.044 1.00 0.00 C ATOM 1628 C ILE B 13 -9.388 -0.539 8.084 1.00 0.00 C ATOM 1629 O ILE B 13 -9.310 -1.424 8.931 1.00 0.00 O ATOM 1630 CB ILE B 13 -8.969 1.914 8.513 1.00 0.00 C ATOM 1631 CG1 ILE B 13 -7.899 3.010 8.634 1.00 0.00 C ATOM 1632 CG2 ILE B 13 -9.670 1.731 9.872 1.00 0.00 C ATOM 1633 CD1 ILE B 13 -8.538 4.385 8.836 1.00 0.00 C ATOM 0 H ILE B 13 -7.873 1.629 6.292 1.00 0.00 H new ATOM 0 HA ILE B 13 -7.538 0.340 8.731 1.00 0.00 H new ATOM 0 HB ILE B 13 -9.702 2.219 7.766 1.00 0.00 H new ATOM 0 HG12 ILE B 13 -7.238 2.786 9.472 1.00 0.00 H new ATOM 0 HG13 ILE B 13 -7.282 3.021 7.735 1.00 0.00 H new ATOM 0 HG21 ILE B 13 -10.103 2.680 10.189 1.00 0.00 H new ATOM 0 HG22 ILE B 13 -10.460 0.986 9.777 1.00 0.00 H new ATOM 0 HG23 ILE B 13 -8.944 1.398 10.614 1.00 0.00 H new ATOM 0 HD11 ILE B 13 -7.757 5.141 8.918 1.00 0.00 H new ATOM 0 HD12 ILE B 13 -9.179 4.617 7.985 1.00 0.00 H new ATOM 0 HD13 ILE B 13 -9.134 4.379 9.748 1.00 0.00 H new ATOM 1645 N GLY B 14 -10.374 -0.491 7.188 1.00 0.00 N ATOM 1646 CA GLY B 14 -11.456 -1.460 7.127 1.00 0.00 C ATOM 1647 C GLY B 14 -10.895 -2.873 7.031 1.00 0.00 C ATOM 1648 O GLY B 14 -11.264 -3.748 7.811 1.00 0.00 O ATOM 0 H GLY B 14 -10.440 0.236 6.475 1.00 0.00 H new ATOM 0 HA2 GLY B 14 -12.084 -1.370 8.013 1.00 0.00 H new ATOM 0 HA3 GLY B 14 -12.090 -1.254 6.265 1.00 0.00 H new ATOM 1652 N ILE B 15 -9.968 -3.079 6.093 1.00 0.00 N ATOM 1653 CA ILE B 15 -9.267 -4.339 5.916 1.00 0.00 C ATOM 1654 C ILE B 15 -8.620 -4.783 7.230 1.00 0.00 C ATOM 1655 O ILE B 15 -8.774 -5.935 7.623 1.00 0.00 O ATOM 1656 CB ILE B 15 -8.244 -4.203 4.777 1.00 0.00 C ATOM 1657 CG1 ILE B 15 -8.935 -4.086 3.404 1.00 0.00 C ATOM 1658 CG2 ILE B 15 -7.249 -5.366 4.809 1.00 0.00 C ATOM 1659 CD1 ILE B 15 -9.432 -5.420 2.840 1.00 0.00 C ATOM 0 H ILE B 15 -9.684 -2.360 5.428 1.00 0.00 H new ATOM 0 HA ILE B 15 -9.976 -5.118 5.636 1.00 0.00 H new ATOM 0 HB ILE B 15 -7.688 -3.278 4.931 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -9.780 -3.403 3.491 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -8.237 -3.641 2.695 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -6.532 -5.254 3.996 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -6.720 -5.366 5.762 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -7.786 -6.307 4.692 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -9.906 -5.252 1.873 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -8.589 -6.100 2.718 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -10.156 -5.859 3.527 1.00 0.00 H new ATOM 1671 N PHE B 16 -7.897 -3.889 7.910 1.00 0.00 N ATOM 1672 CA PHE B 16 -7.312 -4.217 9.206 1.00 0.00 C ATOM 1673 C PHE B 16 -8.409 -4.700 10.160 1.00 0.00 C ATOM 1674 O PHE B 16 -8.413 -5.851 10.602 1.00 0.00 O ATOM 1675 CB PHE B 16 -6.577 -2.989 9.764 1.00 0.00 C ATOM 1676 CG PHE B 16 -5.802 -3.218 11.044 1.00 0.00 C ATOM 1677 CD1 PHE B 16 -4.643 -4.014 11.027 1.00 0.00 C ATOM 1678 CD2 PHE B 16 -6.167 -2.540 12.222 1.00 0.00 C ATOM 1679 CE1 PHE B 16 -3.835 -4.106 12.173 1.00 0.00 C ATOM 1680 CE2 PHE B 16 -5.357 -2.636 13.367 1.00 0.00 C ATOM 1681 CZ PHE B 16 -4.204 -3.435 13.350 1.00 0.00 C ATOM 0 H PHE B 16 -7.706 -2.941 7.585 1.00 0.00 H new ATOM 0 HA PHE B 16 -6.586 -5.023 9.095 1.00 0.00 H new ATOM 0 HB2 PHE B 16 -5.887 -2.623 9.003 1.00 0.00 H new ATOM 0 HB3 PHE B 16 -7.307 -2.199 9.939 1.00 0.00 H new ATOM 0 HD1 PHE B 16 -4.373 -4.555 10.132 1.00 0.00 H new ATOM 0 HD2 PHE B 16 -7.069 -1.946 12.246 1.00 0.00 H new ATOM 0 HE1 PHE B 16 -2.929 -4.693 12.148 1.00 0.00 H new ATOM 0 HE2 PHE B 16 -5.623 -2.093 14.262 1.00 0.00 H new ATOM 0 HZ PHE B 16 -3.601 -3.534 14.241 1.00 0.00 H new ATOM 1691 N HIS B 17 -9.365 -3.812 10.444 1.00 0.00 N ATOM 1692 CA HIS B 17 -10.427 -4.033 11.410 1.00 0.00 C ATOM 1693 C HIS B 17 -11.169 -5.342 11.135 1.00 0.00 C ATOM 1694 O HIS B 17 -11.494 -6.057 12.084 1.00 0.00 O ATOM 1695 CB HIS B 17 -11.376 -2.827 11.418 1.00 0.00 C ATOM 1696 CG HIS B 17 -12.351 -2.813 12.573 1.00 0.00 C ATOM 1697 ND1 HIS B 17 -12.827 -3.908 13.260 1.00 0.00 N ATOM 1698 CD2 HIS B 17 -12.914 -1.699 13.138 1.00 0.00 C ATOM 1699 CE1 HIS B 17 -13.658 -3.460 14.216 1.00 0.00 C ATOM 1700 NE2 HIS B 17 -13.744 -2.121 14.181 1.00 0.00 N ATOM 0 H HIS B 17 -9.417 -2.898 9.993 1.00 0.00 H new ATOM 0 HA HIS B 17 -9.987 -4.130 12.402 1.00 0.00 H new ATOM 0 HB2 HIS B 17 -10.783 -1.913 11.447 1.00 0.00 H new ATOM 0 HB3 HIS B 17 -11.937 -2.814 10.484 1.00 0.00 H new ATOM 0 HD1 HIS B 17 -12.591 -4.883 13.076 1.00 0.00 H new ATOM 0 HD2 HIS B 17 -12.746 -0.677 12.832 1.00 0.00 H new ATOM 0 HE1 HIS B 17 -14.185 -4.091 14.917 1.00 0.00 H new ATOM 1708 N LYS B 18 -11.439 -5.647 9.862 1.00 0.00 N ATOM 1709 CA LYS B 18 -12.104 -6.868 9.424 1.00 0.00 C ATOM 1710 C LYS B 18 -11.493 -8.107 10.087 1.00 0.00 C ATOM 1711 O LYS B 18 -12.229 -9.019 10.456 1.00 0.00 O ATOM 1712 CB LYS B 18 -12.043 -6.940 7.891 1.00 0.00 C ATOM 1713 CG LYS B 18 -12.661 -8.207 7.286 1.00 0.00 C ATOM 1714 CD LYS B 18 -12.515 -8.160 5.758 1.00 0.00 C ATOM 1715 CE LYS B 18 -12.991 -9.469 5.122 1.00 0.00 C ATOM 1716 NZ LYS B 18 -12.781 -9.466 3.664 1.00 0.00 N ATOM 0 H LYS B 18 -11.192 -5.030 9.089 1.00 0.00 H new ATOM 0 HA LYS B 18 -13.149 -6.847 9.733 1.00 0.00 H new ATOM 0 HB2 LYS B 18 -12.554 -6.070 7.479 1.00 0.00 H new ATOM 0 HB3 LYS B 18 -11.001 -6.875 7.579 1.00 0.00 H new ATOM 0 HG2 LYS B 18 -12.166 -9.093 7.683 1.00 0.00 H new ATOM 0 HG3 LYS B 18 -13.713 -8.280 7.561 1.00 0.00 H new ATOM 0 HD2 LYS B 18 -13.093 -7.326 5.359 1.00 0.00 H new ATOM 0 HD3 LYS B 18 -11.473 -7.981 5.494 1.00 0.00 H new ATOM 0 HE2 LYS B 18 -12.455 -10.307 5.567 1.00 0.00 H new ATOM 0 HE3 LYS B 18 -14.049 -9.617 5.338 1.00 0.00 H new ATOM 0 HZ1 LYS B 18 -13.466 -10.106 3.213 1.00 0.00 H new ATOM 0 HZ2 LYS B 18 -12.913 -8.502 3.296 1.00 0.00 H new ATOM 0 HZ3 LYS B 18 -11.815 -9.788 3.452 1.00 0.00 H new ATOM 1730 N TYR B 19 -10.164 -8.149 10.231 1.00 0.00 N ATOM 1731 CA TYR B 19 -9.478 -9.261 10.876 1.00 0.00 C ATOM 1732 C TYR B 19 -9.207 -8.900 12.338 1.00 0.00 C ATOM 1733 O TYR B 19 -9.732 -9.552 13.243 1.00 0.00 O ATOM 1734 CB TYR B 19 -8.207 -9.631 10.095 1.00 0.00 C ATOM 1735 CG TYR B 19 -8.471 -10.294 8.748 1.00 0.00 C ATOM 1736 CD1 TYR B 19 -8.986 -9.537 7.679 1.00 0.00 C ATOM 1737 CD2 TYR B 19 -8.211 -11.668 8.557 1.00 0.00 C ATOM 1738 CE1 TYR B 19 -9.229 -10.137 6.433 1.00 0.00 C ATOM 1739 CE2 TYR B 19 -8.479 -12.271 7.314 1.00 0.00 C ATOM 1740 CZ TYR B 19 -8.977 -11.505 6.250 1.00 0.00 C ATOM 1741 OH TYR B 19 -9.224 -12.103 5.051 1.00 0.00 O ATOM 0 H TYR B 19 -9.540 -7.412 9.903 1.00 0.00 H new ATOM 0 HA TYR B 19 -10.105 -10.153 10.870 1.00 0.00 H new ATOM 0 HB2 TYR B 19 -7.618 -8.728 9.934 1.00 0.00 H new ATOM 0 HB3 TYR B 19 -7.602 -10.302 10.705 1.00 0.00 H new ATOM 0 HD1 TYR B 19 -9.196 -8.487 7.818 1.00 0.00 H new ATOM 0 HD2 TYR B 19 -7.806 -12.258 9.366 1.00 0.00 H new ATOM 0 HE1 TYR B 19 -9.610 -9.545 5.614 1.00 0.00 H new ATOM 0 HE2 TYR B 19 -8.301 -13.328 7.179 1.00 0.00 H new ATOM 0 HH TYR B 19 -9.546 -11.434 4.412 1.00 0.00 H new ATOM 1751 N SER B 20 -8.408 -7.852 12.576 1.00 0.00 N ATOM 1752 CA SER B 20 -7.943 -7.462 13.902 1.00 0.00 C ATOM 1753 C SER B 20 -9.088 -7.387 14.910 1.00 0.00 C ATOM 1754 O SER B 20 -8.977 -7.891 16.029 1.00 0.00 O ATOM 1755 CB SER B 20 -7.230 -6.110 13.803 1.00 0.00 C ATOM 1756 OG SER B 20 -6.396 -6.084 12.665 1.00 0.00 O ATOM 0 H SER B 20 -8.063 -7.243 11.834 1.00 0.00 H new ATOM 0 HA SER B 20 -7.252 -8.224 14.262 1.00 0.00 H new ATOM 0 HB2 SER B 20 -7.964 -5.306 13.744 1.00 0.00 H new ATOM 0 HB3 SER B 20 -6.638 -5.936 14.701 1.00 0.00 H new ATOM 0 HG SER B 20 -5.840 -5.277 12.685 1.00 0.00 H new ATOM 1847 N HIS B 27 -7.423 -3.535 17.861 1.00 0.00 N ATOM 1848 CA HIS B 27 -6.561 -2.661 17.072 1.00 0.00 C ATOM 1849 C HIS B 27 -5.123 -3.192 16.955 1.00 0.00 C ATOM 1850 O HIS B 27 -4.220 -2.453 16.561 1.00 0.00 O ATOM 1851 CB HIS B 27 -6.641 -1.245 17.651 1.00 0.00 C ATOM 1852 CG HIS B 27 -8.066 -0.747 17.713 1.00 0.00 C ATOM 1853 ND1 HIS B 27 -8.831 -0.600 18.847 1.00 0.00 N ATOM 1854 CD2 HIS B 27 -8.887 -0.534 16.641 1.00 0.00 C ATOM 1855 CE1 HIS B 27 -10.073 -0.260 18.460 1.00 0.00 C ATOM 1856 NE2 HIS B 27 -10.158 -0.210 17.121 1.00 0.00 N ATOM 0 HA HIS B 27 -6.918 -2.637 16.043 1.00 0.00 H new ATOM 0 HB2 HIS B 27 -6.208 -1.236 18.651 1.00 0.00 H new ATOM 0 HB3 HIS B 27 -6.045 -0.568 17.040 1.00 0.00 H new ATOM 0 HD2 HIS B 27 -8.602 -0.604 15.602 1.00 0.00 H new ATOM 0 HE1 HIS B 27 -10.891 -0.055 19.135 1.00 0.00 H new ATOM 0 HE2 HIS B 27 -10.983 0.018 16.567 1.00 0.00 H new ATOM 1864 N THR B 28 -4.920 -4.477 17.244 1.00 0.00 N ATOM 1865 CA THR B 28 -3.655 -5.191 17.133 1.00 0.00 C ATOM 1866 C THR B 28 -3.958 -6.571 16.542 1.00 0.00 C ATOM 1867 O THR B 28 -5.108 -7.003 16.569 1.00 0.00 O ATOM 1868 CB THR B 28 -2.999 -5.298 18.525 1.00 0.00 C ATOM 1869 OG1 THR B 28 -3.979 -5.215 19.540 1.00 0.00 O ATOM 1870 CG2 THR B 28 -2.010 -4.156 18.767 1.00 0.00 C ATOM 0 H THR B 28 -5.675 -5.076 17.579 1.00 0.00 H new ATOM 0 HA THR B 28 -2.954 -4.666 16.485 1.00 0.00 H new ATOM 0 HB THR B 28 -2.481 -6.257 18.554 1.00 0.00 H new ATOM 0 HG1 THR B 28 -3.548 -5.286 20.417 1.00 0.00 H new ATOM 0 HG21 THR B 28 -1.566 -4.262 19.757 1.00 0.00 H new ATOM 0 HG22 THR B 28 -1.225 -4.189 18.012 1.00 0.00 H new ATOM 0 HG23 THR B 28 -2.534 -3.202 18.705 1.00 0.00 H new ATOM 1878 N LEU B 29 -2.953 -7.246 15.978 1.00 0.00 N ATOM 1879 CA LEU B 29 -3.124 -8.600 15.457 1.00 0.00 C ATOM 1880 C LEU B 29 -1.775 -9.306 15.317 1.00 0.00 C ATOM 1881 O LEU B 29 -0.749 -8.687 15.583 1.00 0.00 O ATOM 1882 CB LEU B 29 -3.927 -8.591 14.146 1.00 0.00 C ATOM 1883 CG LEU B 29 -3.511 -7.560 13.088 1.00 0.00 C ATOM 1884 CD1 LEU B 29 -2.004 -7.455 12.871 1.00 0.00 C ATOM 1885 CD2 LEU B 29 -4.149 -7.932 11.748 1.00 0.00 C ATOM 0 H LEU B 29 -2.010 -6.873 15.871 1.00 0.00 H new ATOM 0 HA LEU B 29 -3.707 -9.176 16.176 1.00 0.00 H new ATOM 0 HB2 LEU B 29 -3.859 -9.583 13.699 1.00 0.00 H new ATOM 0 HB3 LEU B 29 -4.976 -8.423 14.391 1.00 0.00 H new ATOM 0 HG LEU B 29 -3.852 -6.595 13.463 1.00 0.00 H new ATOM 0 HD11 LEU B 29 -1.798 -6.704 12.108 1.00 0.00 H new ATOM 0 HD12 LEU B 29 -1.521 -7.166 13.804 1.00 0.00 H new ATOM 0 HD13 LEU B 29 -1.615 -8.420 12.545 1.00 0.00 H new ATOM 0 HD21 LEU B 29 -3.858 -7.203 10.992 1.00 0.00 H new ATOM 0 HD22 LEU B 29 -3.810 -8.923 11.447 1.00 0.00 H new ATOM 0 HD23 LEU B 29 -5.234 -7.935 11.850 1.00 0.00 H new ATOM 1897 N SER B 30 -1.756 -10.583 14.911 1.00 0.00 N ATOM 1898 CA SER B 30 -0.538 -11.386 14.857 1.00 0.00 C ATOM 1899 C SER B 30 -0.305 -12.006 13.474 1.00 0.00 C ATOM 1900 O SER B 30 -1.162 -11.946 12.589 1.00 0.00 O ATOM 1901 CB SER B 30 -0.618 -12.481 15.932 1.00 0.00 C ATOM 1902 OG SER B 30 -1.478 -13.532 15.531 1.00 0.00 O ATOM 0 H SER B 30 -2.591 -11.085 14.611 1.00 0.00 H new ATOM 0 HA SER B 30 0.311 -10.730 15.048 1.00 0.00 H new ATOM 0 HB2 SER B 30 0.379 -12.877 16.126 1.00 0.00 H new ATOM 0 HB3 SER B 30 -0.977 -12.051 16.867 1.00 0.00 H new ATOM 0 HG SER B 30 -2.261 -13.158 15.076 1.00 0.00 H new ATOM 1908 N LYS B 31 0.860 -12.646 13.337 1.00 0.00 N ATOM 1909 CA LYS B 31 1.291 -13.493 12.233 1.00 0.00 C ATOM 1910 C LYS B 31 0.142 -14.157 11.474 1.00 0.00 C ATOM 1911 O LYS B 31 0.028 -13.990 10.262 1.00 0.00 O ATOM 1912 CB LYS B 31 2.319 -14.532 12.722 1.00 0.00 C ATOM 1913 CG LYS B 31 2.092 -15.051 14.154 1.00 0.00 C ATOM 1914 CD LYS B 31 2.927 -16.304 14.458 1.00 0.00 C ATOM 1915 CE LYS B 31 4.427 -16.073 14.247 1.00 0.00 C ATOM 1916 NZ LYS B 31 5.227 -17.216 14.717 1.00 0.00 N ATOM 0 H LYS B 31 1.580 -12.576 14.056 1.00 0.00 H new ATOM 0 HA LYS B 31 1.768 -12.833 11.508 1.00 0.00 H new ATOM 0 HB2 LYS B 31 2.308 -15.381 12.038 1.00 0.00 H new ATOM 0 HB3 LYS B 31 3.314 -14.090 12.666 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.345 -14.266 14.867 1.00 0.00 H new ATOM 0 HG3 LYS B 31 1.035 -15.279 14.292 1.00 0.00 H new ATOM 0 HD2 LYS B 31 2.751 -16.613 15.488 1.00 0.00 H new ATOM 0 HD3 LYS B 31 2.595 -17.122 13.819 1.00 0.00 H new ATOM 0 HE2 LYS B 31 4.623 -15.903 13.188 1.00 0.00 H new ATOM 0 HE3 LYS B 31 4.734 -15.172 14.777 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 6.236 -17.022 14.557 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 5.059 -17.363 15.733 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 4.952 -18.071 14.193 1.00 0.00 H new ATOM 1930 N LYS B 32 -0.707 -14.912 12.173 1.00 0.00 N ATOM 1931 CA LYS B 32 -1.818 -15.623 11.569 1.00 0.00 C ATOM 1932 C LYS B 32 -2.689 -14.665 10.753 1.00 0.00 C ATOM 1933 O LYS B 32 -2.954 -14.898 9.572 1.00 0.00 O ATOM 1934 CB LYS B 32 -2.599 -16.301 12.700 1.00 0.00 C ATOM 1935 CG LYS B 32 -3.740 -17.181 12.183 1.00 0.00 C ATOM 1936 CD LYS B 32 -4.287 -18.063 13.310 1.00 0.00 C ATOM 1937 CE LYS B 32 -5.061 -17.253 14.357 1.00 0.00 C ATOM 1938 NZ LYS B 32 -5.656 -18.128 15.382 1.00 0.00 N ATOM 0 H LYS B 32 -0.636 -15.044 13.182 1.00 0.00 H new ATOM 0 HA LYS B 32 -1.466 -16.381 10.870 1.00 0.00 H new ATOM 0 HB2 LYS B 32 -1.917 -16.909 13.294 1.00 0.00 H new ATOM 0 HB3 LYS B 32 -3.006 -15.538 13.364 1.00 0.00 H new ATOM 0 HG2 LYS B 32 -4.538 -16.555 11.783 1.00 0.00 H new ATOM 0 HG3 LYS B 32 -3.384 -17.806 11.364 1.00 0.00 H new ATOM 0 HD2 LYS B 32 -4.941 -18.826 12.887 1.00 0.00 H new ATOM 0 HD3 LYS B 32 -3.461 -18.584 13.794 1.00 0.00 H new ATOM 0 HE2 LYS B 32 -4.391 -16.536 14.833 1.00 0.00 H new ATOM 0 HE3 LYS B 32 -5.847 -16.678 13.867 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 -6.172 -17.550 16.075 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 -6.313 -18.795 14.930 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 -4.903 -18.658 15.866 1.00 0.00 H new ATOM 1952 N GLU B 33 -3.115 -13.571 11.385 1.00 0.00 N ATOM 1953 CA GLU B 33 -3.970 -12.594 10.740 1.00 0.00 C ATOM 1954 C GLU B 33 -3.212 -11.874 9.634 1.00 0.00 C ATOM 1955 O GLU B 33 -3.811 -11.571 8.614 1.00 0.00 O ATOM 1956 CB GLU B 33 -4.520 -11.582 11.741 1.00 0.00 C ATOM 1957 CG GLU B 33 -5.474 -12.215 12.763 1.00 0.00 C ATOM 1958 CD GLU B 33 -4.754 -13.024 13.838 1.00 0.00 C ATOM 1959 OE1 GLU B 33 -3.665 -12.576 14.262 1.00 0.00 O ATOM 1960 OE2 GLU B 33 -5.299 -14.084 14.210 1.00 0.00 O ATOM 0 H GLU B 33 -2.875 -13.345 12.350 1.00 0.00 H new ATOM 0 HA GLU B 33 -4.814 -13.130 10.306 1.00 0.00 H new ATOM 0 HB2 GLU B 33 -3.690 -11.111 12.268 1.00 0.00 H new ATOM 0 HB3 GLU B 33 -5.044 -10.793 11.202 1.00 0.00 H new ATOM 0 HG2 GLU B 33 -6.059 -11.428 13.240 1.00 0.00 H new ATOM 0 HG3 GLU B 33 -6.178 -12.863 12.240 1.00 0.00 H new ATOM 1967 N LEU B 34 -1.923 -11.581 9.811 1.00 0.00 N ATOM 1968 CA LEU B 34 -1.135 -10.927 8.767 1.00 0.00 C ATOM 1969 C LEU B 34 -1.054 -11.798 7.510 1.00 0.00 C ATOM 1970 O LEU B 34 -1.338 -11.334 6.404 1.00 0.00 O ATOM 1971 CB LEU B 34 0.270 -10.610 9.286 1.00 0.00 C ATOM 1972 CG LEU B 34 0.276 -9.512 10.358 1.00 0.00 C ATOM 1973 CD1 LEU B 34 1.628 -9.541 11.073 1.00 0.00 C ATOM 1974 CD2 LEU B 34 0.044 -8.124 9.743 1.00 0.00 C ATOM 0 H LEU B 34 -1.404 -11.786 10.665 1.00 0.00 H new ATOM 0 HA LEU B 34 -1.633 -9.995 8.500 1.00 0.00 H new ATOM 0 HB2 LEU B 34 0.713 -11.516 9.699 1.00 0.00 H new ATOM 0 HB3 LEU B 34 0.899 -10.300 8.452 1.00 0.00 H new ATOM 0 HG LEU B 34 -0.535 -9.700 11.061 1.00 0.00 H new ATOM 0 HD11 LEU B 34 1.651 -8.766 11.840 1.00 0.00 H new ATOM 0 HD12 LEU B 34 1.773 -10.516 11.538 1.00 0.00 H new ATOM 0 HD13 LEU B 34 2.425 -9.361 10.352 1.00 0.00 H new ATOM 0 HD21 LEU B 34 0.054 -7.371 10.531 1.00 0.00 H new ATOM 0 HD22 LEU B 34 0.834 -7.908 9.024 1.00 0.00 H new ATOM 0 HD23 LEU B 34 -0.921 -8.107 9.237 1.00 0.00 H new ATOM 1986 N LYS B 35 -0.653 -13.062 7.678 1.00 0.00 N ATOM 1987 CA LYS B 35 -0.518 -14.003 6.577 1.00 0.00 C ATOM 1988 C LYS B 35 -1.876 -14.224 5.908 1.00 0.00 C ATOM 1989 O LYS B 35 -1.965 -14.243 4.679 1.00 0.00 O ATOM 1990 CB LYS B 35 0.110 -15.315 7.063 1.00 0.00 C ATOM 1991 CG LYS B 35 1.557 -15.081 7.519 1.00 0.00 C ATOM 1992 CD LYS B 35 2.215 -16.339 8.102 1.00 0.00 C ATOM 1993 CE LYS B 35 2.360 -17.491 7.100 1.00 0.00 C ATOM 1994 NZ LYS B 35 3.116 -17.085 5.903 1.00 0.00 N ATOM 0 H LYS B 35 -0.414 -13.457 8.588 1.00 0.00 H new ATOM 0 HA LYS B 35 0.155 -13.587 5.827 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -0.476 -15.722 7.887 1.00 0.00 H new ATOM 0 HB3 LYS B 35 0.090 -16.054 6.262 1.00 0.00 H new ATOM 0 HG2 LYS B 35 2.146 -14.729 6.672 1.00 0.00 H new ATOM 0 HG3 LYS B 35 1.572 -14.290 8.268 1.00 0.00 H new ATOM 0 HD2 LYS B 35 3.202 -16.077 8.483 1.00 0.00 H new ATOM 0 HD3 LYS B 35 1.626 -16.683 8.952 1.00 0.00 H new ATOM 0 HE2 LYS B 35 2.864 -18.329 7.581 1.00 0.00 H new ATOM 0 HE3 LYS B 35 1.371 -17.841 6.804 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 3.426 -17.932 5.385 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 2.509 -16.506 5.289 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 3.948 -16.530 6.189 1.00 0.00 H new ATOM 2008 N GLU B 36 -2.936 -14.356 6.712 1.00 0.00 N ATOM 2009 CA GLU B 36 -4.292 -14.349 6.190 1.00 0.00 C ATOM 2010 C GLU B 36 -4.537 -13.084 5.367 1.00 0.00 C ATOM 2011 O GLU B 36 -4.718 -13.180 4.162 1.00 0.00 O ATOM 2012 CB GLU B 36 -5.305 -14.474 7.329 1.00 0.00 C ATOM 2013 CG GLU B 36 -5.465 -15.931 7.776 1.00 0.00 C ATOM 2014 CD GLU B 36 -6.225 -16.050 9.096 1.00 0.00 C ATOM 2015 OE1 GLU B 36 -6.915 -15.072 9.460 1.00 0.00 O ATOM 2016 OE2 GLU B 36 -6.103 -17.127 9.719 1.00 0.00 O ATOM 0 H GLU B 36 -2.874 -14.468 7.724 1.00 0.00 H new ATOM 0 HA GLU B 36 -4.420 -15.209 5.533 1.00 0.00 H new ATOM 0 HB2 GLU B 36 -4.982 -13.866 8.174 1.00 0.00 H new ATOM 0 HB3 GLU B 36 -6.269 -14.083 7.005 1.00 0.00 H new ATOM 0 HG2 GLU B 36 -5.993 -16.490 7.003 1.00 0.00 H new ATOM 0 HG3 GLU B 36 -4.481 -16.386 7.883 1.00 0.00 H new ATOM 2023 N LEU B 37 -4.547 -11.914 6.009 1.00 0.00 N ATOM 2024 CA LEU B 37 -4.777 -10.608 5.405 1.00 0.00 C ATOM 2025 C LEU B 37 -4.133 -10.516 4.031 1.00 0.00 C ATOM 2026 O LEU B 37 -4.840 -10.348 3.042 1.00 0.00 O ATOM 2027 CB LEU B 37 -4.229 -9.485 6.299 1.00 0.00 C ATOM 2028 CG LEU B 37 -5.231 -9.026 7.363 1.00 0.00 C ATOM 2029 CD1 LEU B 37 -4.502 -8.269 8.475 1.00 0.00 C ATOM 2030 CD2 LEU B 37 -6.247 -8.068 6.738 1.00 0.00 C ATOM 0 H LEU B 37 -4.386 -11.853 7.014 1.00 0.00 H new ATOM 0 HA LEU B 37 -5.855 -10.488 5.299 1.00 0.00 H new ATOM 0 HB2 LEU B 37 -3.319 -9.830 6.789 1.00 0.00 H new ATOM 0 HB3 LEU B 37 -3.953 -8.634 5.676 1.00 0.00 H new ATOM 0 HG LEU B 37 -5.731 -9.907 7.766 1.00 0.00 H new ATOM 0 HD11 LEU B 37 -5.221 -7.946 9.227 1.00 0.00 H new ATOM 0 HD12 LEU B 37 -3.763 -8.924 8.937 1.00 0.00 H new ATOM 0 HD13 LEU B 37 -4.001 -7.397 8.054 1.00 0.00 H new ATOM 0 HD21 LEU B 37 -6.958 -7.744 7.499 1.00 0.00 H new ATOM 0 HD22 LEU B 37 -5.727 -7.199 6.334 1.00 0.00 H new ATOM 0 HD23 LEU B 37 -6.781 -8.577 5.936 1.00 0.00 H new ATOM 2042 N ILE B 38 -2.802 -10.615 3.965 1.00 0.00 N ATOM 2043 CA ILE B 38 -2.110 -10.421 2.702 1.00 0.00 C ATOM 2044 C ILE B 38 -2.641 -11.408 1.650 1.00 0.00 C ATOM 2045 O ILE B 38 -3.102 -10.985 0.595 1.00 0.00 O ATOM 2046 CB ILE B 38 -0.580 -10.423 2.909 1.00 0.00 C ATOM 2047 CG1 ILE B 38 0.159 -9.885 1.676 1.00 0.00 C ATOM 2048 CG2 ILE B 38 -0.032 -11.797 3.308 1.00 0.00 C ATOM 2049 CD1 ILE B 38 1.674 -9.813 1.902 1.00 0.00 C ATOM 0 H ILE B 38 -2.197 -10.825 4.759 1.00 0.00 H new ATOM 0 HA ILE B 38 -2.325 -9.433 2.296 1.00 0.00 H new ATOM 0 HB ILE B 38 -0.392 -9.750 3.745 1.00 0.00 H new ATOM 0 HG12 ILE B 38 -0.050 -10.526 0.819 1.00 0.00 H new ATOM 0 HG13 ILE B 38 -0.219 -8.892 1.431 1.00 0.00 H new ATOM 0 HG21 ILE B 38 1.048 -11.734 3.439 1.00 0.00 H new ATOM 0 HG22 ILE B 38 -0.493 -12.115 4.243 1.00 0.00 H new ATOM 0 HG23 ILE B 38 -0.261 -12.521 2.526 1.00 0.00 H new ATOM 0 HD11 ILE B 38 2.158 -9.427 1.005 1.00 0.00 H new ATOM 0 HD12 ILE B 38 1.886 -9.151 2.742 1.00 0.00 H new ATOM 0 HD13 ILE B 38 2.057 -10.810 2.121 1.00 0.00 H new ATOM 2061 N GLN B 39 -2.634 -12.712 1.940 1.00 0.00 N ATOM 2062 CA GLN B 39 -2.925 -13.719 0.927 1.00 0.00 C ATOM 2063 C GLN B 39 -4.414 -13.784 0.556 1.00 0.00 C ATOM 2064 O GLN B 39 -4.749 -14.120 -0.577 1.00 0.00 O ATOM 2065 CB GLN B 39 -2.363 -15.066 1.399 1.00 0.00 C ATOM 2066 CG GLN B 39 -2.409 -16.131 0.296 1.00 0.00 C ATOM 2067 CD GLN B 39 -1.492 -17.310 0.608 1.00 0.00 C ATOM 2068 OE1 GLN B 39 -0.720 -17.746 -0.240 1.00 0.00 O ATOM 2069 NE2 GLN B 39 -1.549 -17.831 1.832 1.00 0.00 N ATOM 0 H GLN B 39 -2.430 -13.090 2.865 1.00 0.00 H new ATOM 0 HA GLN B 39 -2.432 -13.438 -0.004 1.00 0.00 H new ATOM 0 HB2 GLN B 39 -1.333 -14.932 1.730 1.00 0.00 H new ATOM 0 HB3 GLN B 39 -2.932 -15.413 2.261 1.00 0.00 H new ATOM 0 HG2 GLN B 39 -3.432 -16.488 0.178 1.00 0.00 H new ATOM 0 HG3 GLN B 39 -2.116 -15.684 -0.654 1.00 0.00 H new ATOM 0 HE21 GLN B 39 -2.200 -17.450 2.519 1.00 0.00 H new ATOM 0 HE22 GLN B 39 -0.942 -18.611 2.083 1.00 0.00 H new ATOM 2078 N LYS B 40 -5.313 -13.490 1.499 1.00 0.00 N ATOM 2079 CA LYS B 40 -6.748 -13.440 1.253 1.00 0.00 C ATOM 2080 C LYS B 40 -7.066 -12.157 0.484 1.00 0.00 C ATOM 2081 O LYS B 40 -7.686 -12.195 -0.577 1.00 0.00 O ATOM 2082 CB LYS B 40 -7.558 -13.453 2.570 1.00 0.00 C ATOM 2083 CG LYS B 40 -8.056 -14.817 3.081 1.00 0.00 C ATOM 2084 CD LYS B 40 -7.107 -15.630 3.969 1.00 0.00 C ATOM 2085 CE LYS B 40 -5.910 -16.197 3.205 1.00 0.00 C ATOM 2086 NZ LYS B 40 -5.325 -17.361 3.894 1.00 0.00 N ATOM 0 H LYS B 40 -5.057 -13.278 2.464 1.00 0.00 H new ATOM 0 HA LYS B 40 -7.029 -14.323 0.679 1.00 0.00 H new ATOM 0 HB2 LYS B 40 -6.941 -13.006 3.349 1.00 0.00 H new ATOM 0 HB3 LYS B 40 -8.425 -12.805 2.439 1.00 0.00 H new ATOM 0 HG2 LYS B 40 -8.978 -14.651 3.638 1.00 0.00 H new ATOM 0 HG3 LYS B 40 -8.312 -15.427 2.215 1.00 0.00 H new ATOM 0 HD2 LYS B 40 -6.746 -14.997 4.780 1.00 0.00 H new ATOM 0 HD3 LYS B 40 -7.660 -16.450 4.426 1.00 0.00 H new ATOM 0 HE2 LYS B 40 -6.223 -16.487 2.202 1.00 0.00 H new ATOM 0 HE3 LYS B 40 -5.151 -15.423 3.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 40 -4.414 -17.603 3.454 1.00 0.00 H new ATOM 0 HZ2 LYS B 40 -5.175 -17.131 4.897 1.00 0.00 H new ATOM 0 HZ3 LYS B 40 -5.972 -18.171 3.817 1.00 0.00 H new ATOM 2100 N GLU B 41 -6.690 -11.011 1.057 1.00 0.00 N ATOM 2101 CA GLU B 41 -7.132 -9.716 0.571 1.00 0.00 C ATOM 2102 C GLU B 41 -6.387 -9.275 -0.687 1.00 0.00 C ATOM 2103 O GLU B 41 -6.954 -8.498 -1.447 1.00 0.00 O ATOM 2104 CB GLU B 41 -7.080 -8.668 1.687 1.00 0.00 C ATOM 2105 CG GLU B 41 -7.890 -9.080 2.927 1.00 0.00 C ATOM 2106 CD GLU B 41 -9.373 -9.287 2.637 1.00 0.00 C ATOM 2107 OE1 GLU B 41 -9.956 -8.417 1.954 1.00 0.00 O ATOM 2108 OE2 GLU B 41 -9.911 -10.306 3.124 1.00 0.00 O ATOM 0 H GLU B 41 -6.073 -10.962 1.868 1.00 0.00 H new ATOM 0 HA GLU B 41 -8.174 -9.818 0.269 1.00 0.00 H new ATOM 0 HB2 GLU B 41 -6.042 -8.501 1.975 1.00 0.00 H new ATOM 0 HB3 GLU B 41 -7.461 -7.720 1.308 1.00 0.00 H new ATOM 0 HG2 GLU B 41 -7.474 -10.002 3.334 1.00 0.00 H new ATOM 0 HG3 GLU B 41 -7.780 -8.314 3.695 1.00 0.00 H new ATOM 2115 N LEU B 42 -5.149 -9.729 -0.917 1.00 0.00 N ATOM 2116 CA LEU B 42 -4.487 -9.568 -2.208 1.00 0.00 C ATOM 2117 C LEU B 42 -4.664 -10.879 -2.962 1.00 0.00 C ATOM 2118 O LEU B 42 -3.874 -11.805 -2.794 1.00 0.00 O ATOM 2119 CB LEU B 42 -2.998 -9.217 -2.063 1.00 0.00 C ATOM 2120 CG LEU B 42 -2.750 -7.850 -1.413 1.00 0.00 C ATOM 2121 CD1 LEU B 42 -1.244 -7.658 -1.229 1.00 0.00 C ATOM 2122 CD2 LEU B 42 -3.271 -6.710 -2.293 1.00 0.00 C ATOM 0 H LEU B 42 -4.586 -10.213 -0.218 1.00 0.00 H new ATOM 0 HA LEU B 42 -4.935 -8.735 -2.750 1.00 0.00 H new ATOM 0 HB2 LEU B 42 -2.508 -9.987 -1.468 1.00 0.00 H new ATOM 0 HB3 LEU B 42 -2.532 -9.231 -3.048 1.00 0.00 H new ATOM 0 HG LEU B 42 -3.275 -7.827 -0.458 1.00 0.00 H new ATOM 0 HD11 LEU B 42 -1.054 -6.689 -0.767 1.00 0.00 H new ATOM 0 HD12 LEU B 42 -0.852 -8.448 -0.588 1.00 0.00 H new ATOM 0 HD13 LEU B 42 -0.751 -7.700 -2.200 1.00 0.00 H new ATOM 0 HD21 LEU B 42 -3.079 -5.755 -1.803 1.00 0.00 H new ATOM 0 HD22 LEU B 42 -2.762 -6.732 -3.256 1.00 0.00 H new ATOM 0 HD23 LEU B 42 -4.343 -6.830 -2.447 1.00 0.00 H new ATOM 2243 N ASP B 50 8.725 -11.225 -5.657 1.00 0.00 N ATOM 2244 CA ASP B 50 9.220 -11.671 -4.358 1.00 0.00 C ATOM 2245 C ASP B 50 8.508 -11.034 -3.167 1.00 0.00 C ATOM 2246 O ASP B 50 8.203 -11.736 -2.211 1.00 0.00 O ATOM 2247 CB ASP B 50 10.727 -11.412 -4.242 1.00 0.00 C ATOM 2248 CG ASP B 50 11.530 -12.071 -5.361 1.00 0.00 C ATOM 2249 OD1 ASP B 50 11.325 -11.652 -6.522 1.00 0.00 O ATOM 2250 OD2 ASP B 50 12.321 -12.981 -5.036 1.00 0.00 O ATOM 0 HA ASP B 50 9.008 -12.739 -4.317 1.00 0.00 H new ATOM 0 HB2 ASP B 50 10.908 -10.337 -4.256 1.00 0.00 H new ATOM 0 HB3 ASP B 50 11.081 -11.783 -3.280 1.00 0.00 H new ATOM 2255 N ALA B 51 8.256 -9.724 -3.220 1.00 0.00 N ATOM 2256 CA ALA B 51 7.615 -8.923 -2.185 1.00 0.00 C ATOM 2257 C ALA B 51 6.633 -9.715 -1.319 1.00 0.00 C ATOM 2258 O ALA B 51 6.802 -9.805 -0.104 1.00 0.00 O ATOM 2259 CB ALA B 51 6.869 -7.777 -2.871 1.00 0.00 C ATOM 0 H ALA B 51 8.510 -9.166 -4.035 1.00 0.00 H new ATOM 0 HA ALA B 51 8.395 -8.563 -1.514 1.00 0.00 H new ATOM 0 HB1 ALA B 51 6.379 -7.160 -2.118 1.00 0.00 H new ATOM 0 HB2 ALA B 51 7.576 -7.168 -3.435 1.00 0.00 H new ATOM 0 HB3 ALA B 51 6.120 -8.185 -3.550 1.00 0.00 H new ATOM 2265 N GLU B 52 5.601 -10.283 -1.945 1.00 0.00 N ATOM 2266 CA GLU B 52 4.517 -10.935 -1.226 1.00 0.00 C ATOM 2267 C GLU B 52 5.018 -12.206 -0.532 1.00 0.00 C ATOM 2268 O GLU B 52 4.645 -12.494 0.606 1.00 0.00 O ATOM 2269 CB GLU B 52 3.362 -11.199 -2.203 1.00 0.00 C ATOM 2270 CG GLU B 52 2.040 -11.454 -1.464 1.00 0.00 C ATOM 2271 CD GLU B 52 0.853 -11.623 -2.409 1.00 0.00 C ATOM 2272 OE1 GLU B 52 0.921 -11.061 -3.525 1.00 0.00 O ATOM 2273 OE2 GLU B 52 -0.104 -12.310 -1.995 1.00 0.00 O ATOM 0 H GLU B 52 5.498 -10.302 -2.960 1.00 0.00 H new ATOM 0 HA GLU B 52 4.143 -10.287 -0.433 1.00 0.00 H new ATOM 0 HB2 GLU B 52 3.247 -10.345 -2.870 1.00 0.00 H new ATOM 0 HB3 GLU B 52 3.602 -12.060 -2.827 1.00 0.00 H new ATOM 0 HG2 GLU B 52 2.140 -12.349 -0.851 1.00 0.00 H new ATOM 0 HG3 GLU B 52 1.843 -10.624 -0.786 1.00 0.00 H new ATOM 2280 N ILE B 53 5.887 -12.952 -1.219 1.00 0.00 N ATOM 2281 CA ILE B 53 6.479 -14.178 -0.715 1.00 0.00 C ATOM 2282 C ILE B 53 7.291 -13.803 0.528 1.00 0.00 C ATOM 2283 O ILE B 53 7.108 -14.359 1.608 1.00 0.00 O ATOM 2284 CB ILE B 53 7.389 -14.840 -1.778 1.00 0.00 C ATOM 2285 CG1 ILE B 53 6.728 -15.189 -3.125 1.00 0.00 C ATOM 2286 CG2 ILE B 53 7.975 -16.142 -1.211 1.00 0.00 C ATOM 2287 CD1 ILE B 53 6.137 -14.022 -3.923 1.00 0.00 C ATOM 0 H ILE B 53 6.200 -12.709 -2.159 1.00 0.00 H new ATOM 0 HA ILE B 53 5.702 -14.902 -0.472 1.00 0.00 H new ATOM 0 HB ILE B 53 8.138 -14.078 -1.992 1.00 0.00 H new ATOM 0 HG12 ILE B 53 7.470 -15.687 -3.749 1.00 0.00 H new ATOM 0 HG13 ILE B 53 5.933 -15.910 -2.937 1.00 0.00 H new ATOM 0 HG21 ILE B 53 8.616 -16.609 -1.959 1.00 0.00 H new ATOM 0 HG22 ILE B 53 8.561 -15.919 -0.319 1.00 0.00 H new ATOM 0 HG23 ILE B 53 7.165 -16.823 -0.952 1.00 0.00 H new ATOM 0 HD11 ILE B 53 5.702 -14.398 -4.849 1.00 0.00 H new ATOM 0 HD12 ILE B 53 5.364 -13.532 -3.332 1.00 0.00 H new ATOM 0 HD13 ILE B 53 6.924 -13.305 -4.156 1.00 0.00 H new ATOM 2299 N VAL B 54 8.195 -12.838 0.360 1.00 0.00 N ATOM 2300 CA VAL B 54 9.095 -12.368 1.395 1.00 0.00 C ATOM 2301 C VAL B 54 8.298 -11.851 2.588 1.00 0.00 C ATOM 2302 O VAL B 54 8.670 -12.140 3.719 1.00 0.00 O ATOM 2303 CB VAL B 54 10.066 -11.330 0.808 1.00 0.00 C ATOM 2304 CG1 VAL B 54 10.939 -10.685 1.893 1.00 0.00 C ATOM 2305 CG2 VAL B 54 10.983 -12.025 -0.207 1.00 0.00 C ATOM 0 H VAL B 54 8.319 -12.352 -0.528 1.00 0.00 H new ATOM 0 HA VAL B 54 9.705 -13.190 1.768 1.00 0.00 H new ATOM 0 HB VAL B 54 9.474 -10.547 0.335 1.00 0.00 H new ATOM 0 HG11 VAL B 54 11.610 -9.958 1.436 1.00 0.00 H new ATOM 0 HG12 VAL B 54 10.302 -10.183 2.621 1.00 0.00 H new ATOM 0 HG13 VAL B 54 11.525 -11.455 2.394 1.00 0.00 H new ATOM 0 HG21 VAL B 54 11.676 -11.297 -0.629 1.00 0.00 H new ATOM 0 HG22 VAL B 54 11.545 -12.814 0.292 1.00 0.00 H new ATOM 0 HG23 VAL B 54 10.380 -12.458 -1.005 1.00 0.00 H new ATOM 2315 N LYS B 55 7.199 -11.126 2.365 1.00 0.00 N ATOM 2316 CA LYS B 55 6.311 -10.751 3.456 1.00 0.00 C ATOM 2317 C LYS B 55 5.795 -12.000 4.174 1.00 0.00 C ATOM 2318 O LYS B 55 5.946 -12.124 5.390 1.00 0.00 O ATOM 2319 CB LYS B 55 5.159 -9.867 2.951 1.00 0.00 C ATOM 2320 CG LYS B 55 5.287 -8.394 3.365 1.00 0.00 C ATOM 2321 CD LYS B 55 6.398 -7.601 2.657 1.00 0.00 C ATOM 2322 CE LYS B 55 7.816 -7.789 3.208 1.00 0.00 C ATOM 2323 NZ LYS B 55 7.891 -7.519 4.655 1.00 0.00 N ATOM 0 H LYS B 55 6.909 -10.792 1.446 1.00 0.00 H new ATOM 0 HA LYS B 55 6.876 -10.160 4.177 1.00 0.00 H new ATOM 0 HB2 LYS B 55 5.116 -9.928 1.864 1.00 0.00 H new ATOM 0 HB3 LYS B 55 4.216 -10.262 3.330 1.00 0.00 H new ATOM 0 HG2 LYS B 55 4.335 -7.898 3.177 1.00 0.00 H new ATOM 0 HG3 LYS B 55 5.462 -8.351 4.440 1.00 0.00 H new ATOM 0 HD2 LYS B 55 6.400 -7.879 1.603 1.00 0.00 H new ATOM 0 HD3 LYS B 55 6.148 -6.541 2.707 1.00 0.00 H new ATOM 0 HE2 LYS B 55 8.148 -8.809 3.013 1.00 0.00 H new ATOM 0 HE3 LYS B 55 8.500 -7.125 2.680 1.00 0.00 H new ATOM 0 HZ1 LYS B 55 8.887 -7.508 4.955 1.00 0.00 H new ATOM 0 HZ2 LYS B 55 7.458 -6.596 4.859 1.00 0.00 H new ATOM 0 HZ3 LYS B 55 7.381 -8.262 5.174 1.00 0.00 H new ATOM 2337 N LEU B 56 5.192 -12.933 3.431 1.00 0.00 N ATOM 2338 CA LEU B 56 4.682 -14.174 4.002 1.00 0.00 C ATOM 2339 C LEU B 56 5.751 -14.894 4.835 1.00 0.00 C ATOM 2340 O LEU B 56 5.433 -15.405 5.909 1.00 0.00 O ATOM 2341 CB LEU B 56 4.105 -15.085 2.904 1.00 0.00 C ATOM 2342 CG LEU B 56 2.746 -14.601 2.371 1.00 0.00 C ATOM 2343 CD1 LEU B 56 2.456 -15.245 1.009 1.00 0.00 C ATOM 2344 CD2 LEU B 56 1.615 -14.971 3.339 1.00 0.00 C ATOM 0 H LEU B 56 5.047 -12.847 2.425 1.00 0.00 H new ATOM 0 HA LEU B 56 3.869 -13.920 4.683 1.00 0.00 H new ATOM 0 HB2 LEU B 56 4.813 -15.141 2.078 1.00 0.00 H new ATOM 0 HB3 LEU B 56 3.995 -16.095 3.299 1.00 0.00 H new ATOM 0 HG LEU B 56 2.793 -13.517 2.271 1.00 0.00 H new ATOM 0 HD11 LEU B 56 1.492 -14.896 0.640 1.00 0.00 H new ATOM 0 HD12 LEU B 56 3.237 -14.968 0.302 1.00 0.00 H new ATOM 0 HD13 LEU B 56 2.433 -16.329 1.117 1.00 0.00 H new ATOM 0 HD21 LEU B 56 0.664 -14.618 2.940 1.00 0.00 H new ATOM 0 HD22 LEU B 56 1.578 -16.054 3.459 1.00 0.00 H new ATOM 0 HD23 LEU B 56 1.798 -14.505 4.307 1.00 0.00 H new ATOM 2356 N MET B 57 7.003 -14.946 4.363 1.00 0.00 N ATOM 2357 CA MET B 57 8.081 -15.564 5.129 1.00 0.00 C ATOM 2358 C MET B 57 8.413 -14.703 6.357 1.00 0.00 C ATOM 2359 O MET B 57 8.251 -15.125 7.502 1.00 0.00 O ATOM 2360 CB MET B 57 9.351 -15.757 4.279 1.00 0.00 C ATOM 2361 CG MET B 57 9.247 -16.577 2.984 1.00 0.00 C ATOM 2362 SD MET B 57 8.443 -18.201 3.008 1.00 0.00 S ATOM 2363 CE MET B 57 6.732 -17.746 2.647 1.00 0.00 C ATOM 0 H MET B 57 7.289 -14.569 3.459 1.00 0.00 H new ATOM 0 HA MET B 57 7.735 -16.548 5.447 1.00 0.00 H new ATOM 0 HB2 MET B 57 9.728 -14.769 4.016 1.00 0.00 H new ATOM 0 HB3 MET B 57 10.104 -16.228 4.910 1.00 0.00 H new ATOM 0 HG2 MET B 57 8.720 -15.964 2.253 1.00 0.00 H new ATOM 0 HG3 MET B 57 10.260 -16.721 2.608 1.00 0.00 H new ATOM 0 HE1 MET B 57 6.207 -18.606 2.231 1.00 0.00 H new ATOM 0 HE2 MET B 57 6.238 -17.429 3.566 1.00 0.00 H new ATOM 0 HE3 MET B 57 6.717 -16.929 1.926 1.00 0.00 H new ATOM 2373 N ASP B 58 8.905 -13.486 6.102 1.00 0.00 N ATOM 2374 CA ASP B 58 9.495 -12.602 7.099 1.00 0.00 C ATOM 2375 C ASP B 58 8.522 -12.272 8.229 1.00 0.00 C ATOM 2376 O ASP B 58 8.955 -11.992 9.345 1.00 0.00 O ATOM 2377 CB ASP B 58 10.165 -11.376 6.445 1.00 0.00 C ATOM 2378 CG ASP B 58 9.305 -10.127 6.264 1.00 0.00 C ATOM 2379 OD1 ASP B 58 8.062 -10.232 6.298 1.00 0.00 O ATOM 2380 OD2 ASP B 58 9.911 -9.044 6.112 1.00 0.00 O ATOM 0 H ASP B 58 8.901 -13.082 5.166 1.00 0.00 H new ATOM 0 HA ASP B 58 10.305 -13.141 7.590 1.00 0.00 H new ATOM 0 HB2 ASP B 58 11.033 -11.105 7.045 1.00 0.00 H new ATOM 0 HB3 ASP B 58 10.536 -11.676 5.465 1.00 0.00 H new ATOM 2385 N ASP B 59 7.215 -12.341 7.953 1.00 0.00 N ATOM 2386 CA ASP B 59 6.164 -12.291 8.954 1.00 0.00 C ATOM 2387 C ASP B 59 6.535 -13.116 10.185 1.00 0.00 C ATOM 2388 O ASP B 59 6.426 -12.633 11.313 1.00 0.00 O ATOM 2389 CB ASP B 59 4.877 -12.861 8.355 1.00 0.00 C ATOM 2390 CG ASP B 59 3.778 -12.867 9.400 1.00 0.00 C ATOM 2391 OD1 ASP B 59 3.220 -11.774 9.628 1.00 0.00 O ATOM 2392 OD2 ASP B 59 3.545 -13.953 9.972 1.00 0.00 O ATOM 0 H ASP B 59 6.859 -12.435 7.002 1.00 0.00 H new ATOM 0 HA ASP B 59 6.027 -11.253 9.256 1.00 0.00 H new ATOM 0 HB2 ASP B 59 4.570 -12.264 7.496 1.00 0.00 H new ATOM 0 HB3 ASP B 59 5.052 -13.874 7.993 1.00 0.00 H new ATOM 2397 N LEU B 60 6.953 -14.363 9.960 1.00 0.00 N ATOM 2398 CA LEU B 60 7.237 -15.304 11.029 1.00 0.00 C ATOM 2399 C LEU B 60 8.328 -14.728 11.932 1.00 0.00 C ATOM 2400 O LEU B 60 8.144 -14.618 13.143 1.00 0.00 O ATOM 2401 CB LEU B 60 7.648 -16.663 10.441 1.00 0.00 C ATOM 2402 CG LEU B 60 6.609 -17.275 9.483 1.00 0.00 C ATOM 2403 CD1 LEU B 60 7.167 -18.580 8.906 1.00 0.00 C ATOM 2404 CD2 LEU B 60 5.272 -17.557 10.176 1.00 0.00 C ATOM 0 H LEU B 60 7.103 -14.744 9.026 1.00 0.00 H new ATOM 0 HA LEU B 60 6.342 -15.464 11.631 1.00 0.00 H new ATOM 0 HB2 LEU B 60 8.592 -16.546 9.909 1.00 0.00 H new ATOM 0 HB3 LEU B 60 7.828 -17.361 11.259 1.00 0.00 H new ATOM 0 HG LEU B 60 6.420 -16.550 8.691 1.00 0.00 H new ATOM 0 HD11 LEU B 60 6.436 -19.019 8.227 1.00 0.00 H new ATOM 0 HD12 LEU B 60 8.089 -18.373 8.363 1.00 0.00 H new ATOM 0 HD13 LEU B 60 7.373 -19.278 9.718 1.00 0.00 H new ATOM 0 HD21 LEU B 60 4.574 -17.988 9.458 1.00 0.00 H new ATOM 0 HD22 LEU B 60 5.428 -18.258 10.996 1.00 0.00 H new ATOM 0 HD23 LEU B 60 4.862 -16.626 10.568 1.00 0.00 H new ATOM 2416 N ASP B 61 9.449 -14.338 11.319 1.00 0.00 N ATOM 2417 CA ASP B 61 10.611 -13.783 11.997 1.00 0.00 C ATOM 2418 C ASP B 61 10.250 -12.495 12.733 1.00 0.00 C ATOM 2419 O ASP B 61 10.672 -12.289 13.866 1.00 0.00 O ATOM 2420 CB ASP B 61 11.731 -13.512 10.983 1.00 0.00 C ATOM 2421 CG ASP B 61 12.127 -14.767 10.215 1.00 0.00 C ATOM 2422 OD1 ASP B 61 11.398 -15.088 9.251 1.00 0.00 O ATOM 2423 OD2 ASP B 61 13.139 -15.385 10.611 1.00 0.00 O ATOM 0 H ASP B 61 9.571 -14.404 10.308 1.00 0.00 H new ATOM 0 HA ASP B 61 10.959 -14.510 12.731 1.00 0.00 H new ATOM 0 HB2 ASP B 61 11.405 -12.745 10.280 1.00 0.00 H new ATOM 0 HB3 ASP B 61 12.603 -13.116 11.504 1.00 0.00 H new ATOM 2428 N ARG B 62 9.483 -11.619 12.079 1.00 0.00 N ATOM 2429 CA ARG B 62 9.029 -10.365 12.657 1.00 0.00 C ATOM 2430 C ARG B 62 8.213 -10.634 13.921 1.00 0.00 C ATOM 2431 O ARG B 62 8.468 -10.048 14.970 1.00 0.00 O ATOM 2432 CB ARG B 62 8.220 -9.590 11.605 1.00 0.00 C ATOM 2433 CG ARG B 62 7.623 -8.284 12.151 1.00 0.00 C ATOM 2434 CD ARG B 62 6.862 -7.473 11.093 1.00 0.00 C ATOM 2435 NE ARG B 62 7.738 -7.032 9.997 1.00 0.00 N ATOM 2436 CZ ARG B 62 7.963 -7.695 8.853 1.00 0.00 C ATOM 2437 NH1 ARG B 62 7.332 -8.847 8.603 1.00 0.00 N ATOM 2438 NH2 ARG B 62 8.840 -7.206 7.971 1.00 0.00 N ATOM 0 H ARG B 62 9.160 -11.768 11.123 1.00 0.00 H new ATOM 0 HA ARG B 62 9.884 -9.754 12.949 1.00 0.00 H new ATOM 0 HB2 ARG B 62 8.863 -9.362 10.755 1.00 0.00 H new ATOM 0 HB3 ARG B 62 7.415 -10.224 11.234 1.00 0.00 H new ATOM 0 HG2 ARG B 62 6.948 -8.518 12.974 1.00 0.00 H new ATOM 0 HG3 ARG B 62 8.425 -7.670 12.561 1.00 0.00 H new ATOM 0 HD2 ARG B 62 6.051 -8.078 10.687 1.00 0.00 H new ATOM 0 HD3 ARG B 62 6.405 -6.603 11.564 1.00 0.00 H new ATOM 0 HE ARG B 62 8.218 -6.140 10.118 1.00 0.00 H new ATOM 0 HH11 ARG B 62 6.675 -9.227 9.284 1.00 0.00 H new ATOM 0 HH12 ARG B 62 7.508 -9.346 7.731 1.00 0.00 H new ATOM 0 HH21 ARG B 62 9.332 -6.335 8.170 1.00 0.00 H new ATOM 0 HH22 ARG B 62 9.017 -7.704 7.098 1.00 0.00 H new ATOM 2452 N ASN B 63 7.201 -11.495 13.808 1.00 0.00 N ATOM 2453 CA ASN B 63 6.244 -11.704 14.883 1.00 0.00 C ATOM 2454 C ASN B 63 6.861 -12.559 15.984 1.00 0.00 C ATOM 2455 O ASN B 63 6.981 -12.111 17.124 1.00 0.00 O ATOM 2456 CB ASN B 63 4.968 -12.376 14.359 1.00 0.00 C ATOM 2457 CG ASN B 63 4.042 -11.422 13.612 1.00 0.00 C ATOM 2458 OD1 ASN B 63 2.974 -11.074 14.103 1.00 0.00 O ATOM 2459 ND2 ASN B 63 4.412 -11.041 12.395 1.00 0.00 N ATOM 0 H ASN B 63 7.027 -12.059 12.976 1.00 0.00 H new ATOM 0 HA ASN B 63 5.980 -10.729 15.292 1.00 0.00 H new ATOM 0 HB2 ASN B 63 5.244 -13.196 13.696 1.00 0.00 H new ATOM 0 HB3 ASN B 63 4.426 -12.814 15.198 1.00 0.00 H new ATOM 0 HD21 ASN B 63 3.801 -10.442 11.840 1.00 0.00 H new ATOM 0 HD22 ASN B 63 5.307 -11.348 12.015 1.00 0.00 H new ATOM 2517 N GLU B 67 2.396 -9.454 18.805 1.00 0.00 N ATOM 2518 CA GLU B 67 1.374 -8.843 17.969 1.00 0.00 C ATOM 2519 C GLU B 67 1.911 -7.522 17.413 1.00 0.00 C ATOM 2520 O GLU B 67 2.722 -6.867 18.064 1.00 0.00 O ATOM 2521 CB GLU B 67 0.084 -8.616 18.767 1.00 0.00 C ATOM 2522 CG GLU B 67 -0.441 -9.936 19.343 1.00 0.00 C ATOM 2523 CD GLU B 67 -1.947 -9.891 19.571 1.00 0.00 C ATOM 2524 OE1 GLU B 67 -2.666 -10.093 18.570 1.00 0.00 O ATOM 2525 OE2 GLU B 67 -2.341 -9.663 20.735 1.00 0.00 O ATOM 0 HA GLU B 67 1.134 -9.511 17.142 1.00 0.00 H new ATOM 0 HB2 GLU B 67 0.271 -7.910 19.576 1.00 0.00 H new ATOM 0 HB3 GLU B 67 -0.673 -8.169 18.123 1.00 0.00 H new ATOM 0 HG2 GLU B 67 -0.200 -10.752 18.662 1.00 0.00 H new ATOM 0 HG3 GLU B 67 0.064 -10.148 20.285 1.00 0.00 H new ATOM 2532 N VAL B 68 1.444 -7.129 16.227 1.00 0.00 N ATOM 2533 CA VAL B 68 1.758 -5.860 15.594 1.00 0.00 C ATOM 2534 C VAL B 68 0.532 -4.946 15.685 1.00 0.00 C ATOM 2535 O VAL B 68 -0.605 -5.430 15.720 1.00 0.00 O ATOM 2536 CB VAL B 68 2.223 -6.084 14.142 1.00 0.00 C ATOM 2537 CG1 VAL B 68 3.387 -7.081 14.064 1.00 0.00 C ATOM 2538 CG2 VAL B 68 1.107 -6.517 13.194 1.00 0.00 C ATOM 0 H VAL B 68 0.817 -7.708 15.668 1.00 0.00 H new ATOM 0 HA VAL B 68 2.584 -5.372 16.111 1.00 0.00 H new ATOM 0 HB VAL B 68 2.564 -5.105 13.806 1.00 0.00 H new ATOM 0 HG11 VAL B 68 3.685 -7.211 13.024 1.00 0.00 H new ATOM 0 HG12 VAL B 68 4.231 -6.700 14.639 1.00 0.00 H new ATOM 0 HG13 VAL B 68 3.072 -8.041 14.474 1.00 0.00 H new ATOM 0 HG21 VAL B 68 1.514 -6.654 12.192 1.00 0.00 H new ATOM 0 HG22 VAL B 68 0.677 -7.456 13.543 1.00 0.00 H new ATOM 0 HG23 VAL B 68 0.333 -5.750 13.169 1.00 0.00 H new ATOM 2548 N ASN B 69 0.765 -3.630 15.726 1.00 0.00 N ATOM 2549 CA ASN B 69 -0.285 -2.616 15.682 1.00 0.00 C ATOM 2550 C ASN B 69 -0.574 -2.195 14.241 1.00 0.00 C ATOM 2551 O ASN B 69 0.150 -2.564 13.316 1.00 0.00 O ATOM 2552 CB ASN B 69 0.078 -1.394 16.548 1.00 0.00 C ATOM 2553 CG ASN B 69 0.785 -0.283 15.765 1.00 0.00 C ATOM 2554 OD1 ASN B 69 0.156 0.673 15.315 1.00 0.00 O ATOM 2555 ND2 ASN B 69 2.090 -0.399 15.565 1.00 0.00 N ATOM 0 H ASN B 69 1.704 -3.237 15.792 1.00 0.00 H new ATOM 0 HA ASN B 69 -1.191 -3.058 16.097 1.00 0.00 H new ATOM 0 HB2 ASN B 69 -0.831 -0.992 16.995 1.00 0.00 H new ATOM 0 HB3 ASN B 69 0.720 -1.716 17.367 1.00 0.00 H new ATOM 0 HD21 ASN B 69 2.589 0.312 15.030 1.00 0.00 H new ATOM 0 HD22 ASN B 69 2.595 -1.199 15.946 1.00 0.00 H new ATOM 2562 N PHE B 70 -1.603 -1.361 14.083 1.00 0.00 N ATOM 2563 CA PHE B 70 -1.978 -0.726 12.829 1.00 0.00 C ATOM 2564 C PHE B 70 -0.767 -0.278 12.002 1.00 0.00 C ATOM 2565 O PHE B 70 -0.571 -0.779 10.901 1.00 0.00 O ATOM 2566 CB PHE B 70 -2.938 0.435 13.117 1.00 0.00 C ATOM 2567 CG PHE B 70 -3.416 1.166 11.878 1.00 0.00 C ATOM 2568 CD1 PHE B 70 -4.189 0.486 10.918 1.00 0.00 C ATOM 2569 CD2 PHE B 70 -3.092 2.522 11.682 1.00 0.00 C ATOM 2570 CE1 PHE B 70 -4.633 1.157 9.767 1.00 0.00 C ATOM 2571 CE2 PHE B 70 -3.552 3.196 10.538 1.00 0.00 C ATOM 2572 CZ PHE B 70 -4.317 2.513 9.577 1.00 0.00 C ATOM 0 H PHE B 70 -2.217 -1.103 14.856 1.00 0.00 H new ATOM 0 HA PHE B 70 -2.488 -1.466 12.212 1.00 0.00 H new ATOM 0 HB2 PHE B 70 -3.804 0.051 13.656 1.00 0.00 H new ATOM 0 HB3 PHE B 70 -2.442 1.147 13.777 1.00 0.00 H new ATOM 0 HD1 PHE B 70 -4.441 -0.554 11.067 1.00 0.00 H new ATOM 0 HD2 PHE B 70 -2.490 3.044 12.411 1.00 0.00 H new ATOM 0 HE1 PHE B 70 -5.218 0.630 9.027 1.00 0.00 H new ATOM 0 HE2 PHE B 70 -3.317 4.241 10.397 1.00 0.00 H new ATOM 0 HZ PHE B 70 -4.662 3.030 8.693 1.00 0.00 H new ATOM 2582 N GLN B 71 0.071 0.640 12.500 1.00 0.00 N ATOM 2583 CA GLN B 71 1.142 1.187 11.666 1.00 0.00 C ATOM 2584 C GLN B 71 2.123 0.098 11.222 1.00 0.00 C ATOM 2585 O GLN B 71 2.643 0.148 10.111 1.00 0.00 O ATOM 2586 CB GLN B 71 1.880 2.337 12.364 1.00 0.00 C ATOM 2587 CG GLN B 71 2.751 3.149 11.383 1.00 0.00 C ATOM 2588 CD GLN B 71 1.909 4.000 10.443 1.00 0.00 C ATOM 2589 OE1 GLN B 71 1.363 5.017 10.854 1.00 0.00 O ATOM 2590 NE2 GLN B 71 1.805 3.601 9.178 1.00 0.00 N ATOM 0 H GLN B 71 0.030 1.010 13.450 1.00 0.00 H new ATOM 0 HA GLN B 71 0.668 1.595 10.773 1.00 0.00 H new ATOM 0 HB2 GLN B 71 1.154 2.999 12.837 1.00 0.00 H new ATOM 0 HB3 GLN B 71 2.509 1.934 13.158 1.00 0.00 H new ATOM 0 HG2 GLN B 71 3.428 3.792 11.946 1.00 0.00 H new ATOM 0 HG3 GLN B 71 3.370 2.468 10.799 1.00 0.00 H new ATOM 0 HE21 GLN B 71 2.274 2.748 8.872 1.00 0.00 H new ATOM 0 HE22 GLN B 71 1.256 4.148 8.514 1.00 0.00 H new ATOM 2599 N GLU B 72 2.388 -0.892 12.075 1.00 0.00 N ATOM 2600 CA GLU B 72 3.243 -2.010 11.706 1.00 0.00 C ATOM 2601 C GLU B 72 2.576 -2.844 10.606 1.00 0.00 C ATOM 2602 O GLU B 72 3.228 -3.214 9.631 1.00 0.00 O ATOM 2603 CB GLU B 72 3.539 -2.855 12.940 1.00 0.00 C ATOM 2604 CG GLU B 72 4.495 -2.166 13.917 1.00 0.00 C ATOM 2605 CD GLU B 72 4.494 -2.896 15.256 1.00 0.00 C ATOM 2606 OE1 GLU B 72 3.461 -2.775 15.954 1.00 0.00 O ATOM 2607 OE2 GLU B 72 5.502 -3.574 15.544 1.00 0.00 O ATOM 0 H GLU B 72 2.021 -0.938 13.025 1.00 0.00 H new ATOM 0 HA GLU B 72 4.187 -1.634 11.312 1.00 0.00 H new ATOM 0 HB2 GLU B 72 2.604 -3.081 13.453 1.00 0.00 H new ATOM 0 HB3 GLU B 72 3.969 -3.807 12.628 1.00 0.00 H new ATOM 0 HG2 GLU B 72 5.503 -2.152 13.502 1.00 0.00 H new ATOM 0 HG3 GLU B 72 4.195 -1.128 14.060 1.00 0.00 H new ATOM 2614 N TYR B 73 1.274 -3.114 10.727 1.00 0.00 N ATOM 2615 CA TYR B 73 0.517 -3.746 9.651 1.00 0.00 C ATOM 2616 C TYR B 73 0.675 -2.934 8.352 1.00 0.00 C ATOM 2617 O TYR B 73 0.991 -3.480 7.294 1.00 0.00 O ATOM 2618 CB TYR B 73 -0.955 -3.926 10.063 1.00 0.00 C ATOM 2619 CG TYR B 73 -1.980 -3.739 8.955 1.00 0.00 C ATOM 2620 CD1 TYR B 73 -2.272 -4.790 8.066 1.00 0.00 C ATOM 2621 CD2 TYR B 73 -2.663 -2.514 8.831 1.00 0.00 C ATOM 2622 CE1 TYR B 73 -3.274 -4.627 7.092 1.00 0.00 C ATOM 2623 CE2 TYR B 73 -3.624 -2.337 7.823 1.00 0.00 C ATOM 2624 CZ TYR B 73 -3.960 -3.406 6.979 1.00 0.00 C ATOM 2625 OH TYR B 73 -4.986 -3.278 6.091 1.00 0.00 O ATOM 0 H TYR B 73 0.725 -2.904 11.560 1.00 0.00 H new ATOM 0 HA TYR B 73 0.913 -4.743 9.460 1.00 0.00 H new ATOM 0 HB2 TYR B 73 -1.076 -4.926 10.479 1.00 0.00 H new ATOM 0 HB3 TYR B 73 -1.178 -3.219 10.862 1.00 0.00 H new ATOM 0 HD1 TYR B 73 -1.728 -5.720 8.131 1.00 0.00 H new ATOM 0 HD2 TYR B 73 -2.447 -1.707 9.515 1.00 0.00 H new ATOM 0 HE1 TYR B 73 -3.517 -5.444 6.428 1.00 0.00 H new ATOM 0 HE2 TYR B 73 -4.105 -1.378 7.697 1.00 0.00 H new ATOM 0 HH TYR B 73 -5.598 -2.576 6.397 1.00 0.00 H new ATOM 2635 N ILE B 74 0.490 -1.614 8.437 1.00 0.00 N ATOM 2636 CA ILE B 74 0.694 -0.720 7.307 1.00 0.00 C ATOM 2637 C ILE B 74 2.132 -0.834 6.790 1.00 0.00 C ATOM 2638 O ILE B 74 2.352 -0.771 5.586 1.00 0.00 O ATOM 2639 CB ILE B 74 0.350 0.734 7.679 1.00 0.00 C ATOM 2640 CG1 ILE B 74 -1.111 0.950 8.119 1.00 0.00 C ATOM 2641 CG2 ILE B 74 0.654 1.660 6.506 1.00 0.00 C ATOM 2642 CD1 ILE B 74 -2.132 0.828 6.984 1.00 0.00 C ATOM 0 H ILE B 74 0.195 -1.141 9.291 1.00 0.00 H new ATOM 0 HA ILE B 74 0.018 -1.021 6.506 1.00 0.00 H new ATOM 0 HB ILE B 74 0.974 0.968 8.541 1.00 0.00 H new ATOM 0 HG12 ILE B 74 -1.357 0.224 8.894 1.00 0.00 H new ATOM 0 HG13 ILE B 74 -1.201 1.939 8.569 1.00 0.00 H new ATOM 0 HG21 ILE B 74 0.407 2.686 6.779 1.00 0.00 H new ATOM 0 HG22 ILE B 74 1.713 1.595 6.257 1.00 0.00 H new ATOM 0 HG23 ILE B 74 0.059 1.361 5.643 1.00 0.00 H new ATOM 0 HD11 ILE B 74 -3.135 0.994 7.377 1.00 0.00 H new ATOM 0 HD12 ILE B 74 -1.915 1.573 6.218 1.00 0.00 H new ATOM 0 HD13 ILE B 74 -2.073 -0.169 6.548 1.00 0.00 H new ATOM 2654 N THR B 75 3.121 -0.992 7.673 1.00 0.00 N ATOM 2655 CA THR B 75 4.505 -1.198 7.268 1.00 0.00 C ATOM 2656 C THR B 75 4.637 -2.505 6.483 1.00 0.00 C ATOM 2657 O THR B 75 5.305 -2.539 5.456 1.00 0.00 O ATOM 2658 CB THR B 75 5.453 -1.128 8.474 1.00 0.00 C ATOM 2659 OG1 THR B 75 5.246 0.088 9.166 1.00 0.00 O ATOM 2660 CG2 THR B 75 6.921 -1.171 8.040 1.00 0.00 C ATOM 0 H THR B 75 2.981 -0.980 8.683 1.00 0.00 H new ATOM 0 HA THR B 75 4.804 -0.389 6.601 1.00 0.00 H new ATOM 0 HB THR B 75 5.240 -1.988 9.108 1.00 0.00 H new ATOM 0 HG1 THR B 75 4.366 0.073 9.598 1.00 0.00 H new ATOM 0 HG21 THR B 75 7.562 -1.119 8.920 1.00 0.00 H new ATOM 0 HG22 THR B 75 7.115 -2.100 7.504 1.00 0.00 H new ATOM 0 HG23 THR B 75 7.132 -0.324 7.387 1.00 0.00 H new ATOM 2668 N PHE B 76 3.984 -3.576 6.939 1.00 0.00 N ATOM 2669 CA PHE B 76 3.964 -4.853 6.234 1.00 0.00 C ATOM 2670 C PHE B 76 3.437 -4.656 4.803 1.00 0.00 C ATOM 2671 O PHE B 76 4.118 -4.987 3.827 1.00 0.00 O ATOM 2672 CB PHE B 76 3.136 -5.861 7.049 1.00 0.00 C ATOM 2673 CG PHE B 76 3.244 -7.309 6.619 1.00 0.00 C ATOM 2674 CD1 PHE B 76 4.388 -8.053 6.963 1.00 0.00 C ATOM 2675 CD2 PHE B 76 2.135 -7.958 6.042 1.00 0.00 C ATOM 2676 CE1 PHE B 76 4.432 -9.435 6.709 1.00 0.00 C ATOM 2677 CE2 PHE B 76 2.168 -9.346 5.821 1.00 0.00 C ATOM 2678 CZ PHE B 76 3.320 -10.081 6.143 1.00 0.00 C ATOM 0 H PHE B 76 3.454 -3.579 7.810 1.00 0.00 H new ATOM 0 HA PHE B 76 4.972 -5.257 6.138 1.00 0.00 H new ATOM 0 HB2 PHE B 76 3.438 -5.789 8.094 1.00 0.00 H new ATOM 0 HB3 PHE B 76 2.088 -5.565 6.999 1.00 0.00 H new ATOM 0 HD1 PHE B 76 5.233 -7.562 7.423 1.00 0.00 H new ATOM 0 HD2 PHE B 76 1.259 -7.389 5.769 1.00 0.00 H new ATOM 0 HE1 PHE B 76 5.321 -10.000 6.949 1.00 0.00 H new ATOM 0 HE2 PHE B 76 1.307 -9.847 5.403 1.00 0.00 H new ATOM 0 HZ PHE B 76 3.351 -11.144 5.955 1.00 0.00 H new ATOM 2688 N LEU B 77 2.241 -4.069 4.672 1.00 0.00 N ATOM 2689 CA LEU B 77 1.658 -3.789 3.361 1.00 0.00 C ATOM 2690 C LEU B 77 2.537 -2.845 2.536 1.00 0.00 C ATOM 2691 O LEU B 77 2.728 -3.051 1.342 1.00 0.00 O ATOM 2692 CB LEU B 77 0.253 -3.186 3.492 1.00 0.00 C ATOM 2693 CG LEU B 77 -0.811 -4.107 4.106 1.00 0.00 C ATOM 2694 CD1 LEU B 77 -2.167 -3.407 3.963 1.00 0.00 C ATOM 2695 CD2 LEU B 77 -0.883 -5.477 3.417 1.00 0.00 C ATOM 0 H LEU B 77 1.661 -3.780 5.460 1.00 0.00 H new ATOM 0 HA LEU B 77 1.591 -4.745 2.843 1.00 0.00 H new ATOM 0 HB2 LEU B 77 0.320 -2.283 4.099 1.00 0.00 H new ATOM 0 HB3 LEU B 77 -0.085 -2.880 2.502 1.00 0.00 H new ATOM 0 HG LEU B 77 -0.547 -4.289 5.148 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -2.948 -4.036 4.390 1.00 0.00 H new ATOM 0 HD12 LEU B 77 -2.141 -2.453 4.489 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -2.378 -3.234 2.908 1.00 0.00 H new ATOM 0 HD21 LEU B 77 -1.652 -6.084 3.894 1.00 0.00 H new ATOM 0 HD22 LEU B 77 -1.128 -5.342 2.364 1.00 0.00 H new ATOM 0 HD23 LEU B 77 0.081 -5.979 3.504 1.00 0.00 H new ATOM 2707 N GLY B 78 3.047 -1.785 3.156 1.00 0.00 N ATOM 2708 CA GLY B 78 3.826 -0.756 2.491 1.00 0.00 C ATOM 2709 C GLY B 78 5.147 -1.318 1.971 1.00 0.00 C ATOM 2710 O GLY B 78 5.562 -0.995 0.862 1.00 0.00 O ATOM 0 H GLY B 78 2.926 -1.618 4.155 1.00 0.00 H new ATOM 0 HA2 GLY B 78 3.253 -0.340 1.663 1.00 0.00 H new ATOM 0 HA3 GLY B 78 4.023 0.061 3.185 1.00 0.00 H new ATOM 2714 N ALA B 79 5.791 -2.192 2.743 1.00 0.00 N ATOM 2715 CA ALA B 79 6.975 -2.906 2.304 1.00 0.00 C ATOM 2716 C ALA B 79 6.628 -3.768 1.090 1.00 0.00 C ATOM 2717 O ALA B 79 7.305 -3.678 0.073 1.00 0.00 O ATOM 2718 CB ALA B 79 7.537 -3.739 3.458 1.00 0.00 C ATOM 0 H ALA B 79 5.500 -2.421 3.693 1.00 0.00 H new ATOM 0 HA ALA B 79 7.749 -2.200 2.003 1.00 0.00 H new ATOM 0 HB1 ALA B 79 8.426 -4.273 3.122 1.00 0.00 H new ATOM 0 HB2 ALA B 79 7.800 -3.082 4.287 1.00 0.00 H new ATOM 0 HB3 ALA B 79 6.786 -4.457 3.788 1.00 0.00 H new ATOM 2724 N LEU B 80 5.564 -4.574 1.170 1.00 0.00 N ATOM 2725 CA LEU B 80 5.073 -5.357 0.032 1.00 0.00 C ATOM 2726 C LEU B 80 4.933 -4.454 -1.202 1.00 0.00 C ATOM 2727 O LEU B 80 5.534 -4.702 -2.255 1.00 0.00 O ATOM 2728 CB LEU B 80 3.782 -6.082 0.470 1.00 0.00 C ATOM 2729 CG LEU B 80 2.782 -6.619 -0.570 1.00 0.00 C ATOM 2730 CD1 LEU B 80 1.801 -5.564 -1.088 1.00 0.00 C ATOM 2731 CD2 LEU B 80 3.434 -7.387 -1.719 1.00 0.00 C ATOM 0 H LEU B 80 5.020 -4.702 2.024 1.00 0.00 H new ATOM 0 HA LEU B 80 5.776 -6.132 -0.272 1.00 0.00 H new ATOM 0 HB2 LEU B 80 4.085 -6.927 1.088 1.00 0.00 H new ATOM 0 HB3 LEU B 80 3.234 -5.396 1.115 1.00 0.00 H new ATOM 0 HG LEU B 80 2.192 -7.344 -0.009 1.00 0.00 H new ATOM 0 HD11 LEU B 80 1.129 -6.018 -1.816 1.00 0.00 H new ATOM 0 HD12 LEU B 80 1.219 -5.168 -0.255 1.00 0.00 H new ATOM 0 HD13 LEU B 80 2.355 -4.753 -1.562 1.00 0.00 H new ATOM 0 HD21 LEU B 80 2.664 -7.733 -2.409 1.00 0.00 H new ATOM 0 HD22 LEU B 80 4.127 -6.732 -2.247 1.00 0.00 H new ATOM 0 HD23 LEU B 80 3.977 -8.245 -1.322 1.00 0.00 H new ATOM 2743 N ALA B 81 4.179 -3.366 -1.031 1.00 0.00 N ATOM 2744 CA ALA B 81 3.916 -2.381 -2.059 1.00 0.00 C ATOM 2745 C ALA B 81 5.218 -1.892 -2.683 1.00 0.00 C ATOM 2746 O ALA B 81 5.393 -1.995 -3.893 1.00 0.00 O ATOM 2747 CB ALA B 81 3.106 -1.226 -1.466 1.00 0.00 C ATOM 0 H ALA B 81 3.725 -3.148 -0.144 1.00 0.00 H new ATOM 0 HA ALA B 81 3.330 -2.839 -2.856 1.00 0.00 H new ATOM 0 HB1 ALA B 81 2.908 -0.485 -2.240 1.00 0.00 H new ATOM 0 HB2 ALA B 81 2.161 -1.606 -1.078 1.00 0.00 H new ATOM 0 HB3 ALA B 81 3.671 -0.763 -0.657 1.00 0.00 H new ATOM 2753 N MET B 82 6.125 -1.368 -1.862 1.00 0.00 N ATOM 2754 CA MET B 82 7.388 -0.812 -2.309 1.00 0.00 C ATOM 2755 C MET B 82 8.238 -1.864 -3.016 1.00 0.00 C ATOM 2756 O MET B 82 8.803 -1.585 -4.069 1.00 0.00 O ATOM 2757 CB MET B 82 8.104 -0.184 -1.109 1.00 0.00 C ATOM 2758 CG MET B 82 9.418 0.503 -1.497 1.00 0.00 C ATOM 2759 SD MET B 82 9.846 1.981 -0.539 1.00 0.00 S ATOM 2760 CE MET B 82 9.849 1.314 1.139 1.00 0.00 C ATOM 0 H MET B 82 5.995 -1.320 -0.851 1.00 0.00 H new ATOM 0 HA MET B 82 7.207 -0.032 -3.048 1.00 0.00 H new ATOM 0 HB2 MET B 82 7.444 0.544 -0.637 1.00 0.00 H new ATOM 0 HB3 MET B 82 8.308 -0.957 -0.368 1.00 0.00 H new ATOM 0 HG2 MET B 82 10.228 -0.220 -1.396 1.00 0.00 H new ATOM 0 HG3 MET B 82 9.365 0.778 -2.550 1.00 0.00 H new ATOM 0 HE1 MET B 82 10.165 2.088 1.838 1.00 0.00 H new ATOM 0 HE2 MET B 82 8.845 0.979 1.399 1.00 0.00 H new ATOM 0 HE3 MET B 82 10.539 0.472 1.194 1.00 0.00 H new ATOM 2770 N ILE B 83 8.345 -3.067 -2.444 1.00 0.00 N ATOM 2771 CA ILE B 83 9.202 -4.102 -2.995 1.00 0.00 C ATOM 2772 C ILE B 83 8.733 -4.484 -4.401 1.00 0.00 C ATOM 2773 O ILE B 83 9.582 -4.568 -5.289 1.00 0.00 O ATOM 2774 CB ILE B 83 9.350 -5.315 -2.056 1.00 0.00 C ATOM 2775 CG1 ILE B 83 10.036 -4.930 -0.733 1.00 0.00 C ATOM 2776 CG2 ILE B 83 10.216 -6.397 -2.728 1.00 0.00 C ATOM 2777 CD1 ILE B 83 9.750 -5.971 0.357 1.00 0.00 C ATOM 0 H ILE B 83 7.845 -3.341 -1.598 1.00 0.00 H new ATOM 0 HA ILE B 83 10.209 -3.694 -3.083 1.00 0.00 H new ATOM 0 HB ILE B 83 8.345 -5.684 -1.851 1.00 0.00 H new ATOM 0 HG12 ILE B 83 11.112 -4.846 -0.888 1.00 0.00 H new ATOM 0 HG13 ILE B 83 9.684 -3.951 -0.408 1.00 0.00 H new ATOM 0 HG21 ILE B 83 10.316 -7.251 -2.058 1.00 0.00 H new ATOM 0 HG22 ILE B 83 9.743 -6.717 -3.656 1.00 0.00 H new ATOM 0 HG23 ILE B 83 11.203 -5.989 -2.946 1.00 0.00 H new ATOM 0 HD11 ILE B 83 10.246 -5.675 1.282 1.00 0.00 H new ATOM 0 HD12 ILE B 83 8.675 -6.035 0.526 1.00 0.00 H new ATOM 0 HD13 ILE B 83 10.125 -6.944 0.039 1.00 0.00 H new ATOM 2789 N TYR B 84 7.429 -4.733 -4.625 1.00 0.00 N ATOM 2790 CA TYR B 84 6.994 -5.096 -5.980 1.00 0.00 C ATOM 2791 C TYR B 84 6.756 -3.900 -6.914 1.00 0.00 C ATOM 2792 O TYR B 84 7.027 -4.000 -8.111 1.00 0.00 O ATOM 2793 CB TYR B 84 5.990 -6.262 -6.055 1.00 0.00 C ATOM 2794 CG TYR B 84 4.613 -6.206 -5.420 1.00 0.00 C ATOM 2795 CD1 TYR B 84 3.990 -4.997 -5.069 1.00 0.00 C ATOM 2796 CD2 TYR B 84 3.876 -7.405 -5.365 1.00 0.00 C ATOM 2797 CE1 TYR B 84 2.636 -4.986 -4.692 1.00 0.00 C ATOM 2798 CE2 TYR B 84 2.528 -7.399 -4.973 1.00 0.00 C ATOM 2799 CZ TYR B 84 1.906 -6.183 -4.645 1.00 0.00 C ATOM 2800 OH TYR B 84 0.600 -6.157 -4.259 1.00 0.00 O ATOM 0 H TYR B 84 6.692 -4.692 -3.921 1.00 0.00 H new ATOM 0 HA TYR B 84 7.870 -5.557 -6.436 1.00 0.00 H new ATOM 0 HB2 TYR B 84 5.835 -6.470 -7.114 1.00 0.00 H new ATOM 0 HB3 TYR B 84 6.492 -7.131 -5.630 1.00 0.00 H new ATOM 0 HD1 TYR B 84 4.552 -4.075 -5.089 1.00 0.00 H new ATOM 0 HD2 TYR B 84 4.353 -8.338 -5.627 1.00 0.00 H new ATOM 0 HE1 TYR B 84 2.156 -4.053 -4.438 1.00 0.00 H new ATOM 0 HE2 TYR B 84 1.972 -8.324 -4.924 1.00 0.00 H new ATOM 0 HH TYR B 84 0.235 -7.066 -4.280 1.00 0.00 H new ATOM 2810 N ASN B 85 6.325 -2.741 -6.406 1.00 0.00 N ATOM 2811 CA ASN B 85 6.215 -1.541 -7.233 1.00 0.00 C ATOM 2812 C ASN B 85 7.597 -0.915 -7.374 1.00 0.00 C ATOM 2813 O ASN B 85 7.890 0.099 -6.742 1.00 0.00 O ATOM 2814 CB ASN B 85 5.206 -0.524 -6.683 1.00 0.00 C ATOM 2815 CG ASN B 85 3.773 -1.028 -6.786 1.00 0.00 C ATOM 2816 OD1 ASN B 85 3.077 -0.752 -7.756 1.00 0.00 O ATOM 2817 ND2 ASN B 85 3.316 -1.760 -5.779 1.00 0.00 N ATOM 0 H ASN B 85 6.049 -2.611 -5.433 1.00 0.00 H new ATOM 0 HA ASN B 85 5.834 -1.838 -8.210 1.00 0.00 H new ATOM 0 HB2 ASN B 85 5.440 -0.309 -5.641 1.00 0.00 H new ATOM 0 HB3 ASN B 85 5.301 0.413 -7.231 1.00 0.00 H new ATOM 0 HD21 ASN B 85 2.359 -2.111 -5.797 1.00 0.00 H new ATOM 0 HD22 ASN B 85 3.922 -1.972 -4.986 1.00 0.00 H new ATOM 2824 N GLU B 86 8.416 -1.514 -8.245 1.00 0.00 N ATOM 2825 CA GLU B 86 9.771 -1.083 -8.588 1.00 0.00 C ATOM 2826 C GLU B 86 9.908 0.446 -8.628 1.00 0.00 C ATOM 2827 O GLU B 86 10.878 0.997 -8.112 1.00 0.00 O ATOM 2828 CB GLU B 86 10.192 -1.674 -9.945 1.00 0.00 C ATOM 2829 CG GLU B 86 9.984 -3.191 -10.118 1.00 0.00 C ATOM 2830 CD GLU B 86 10.779 -4.065 -9.149 1.00 0.00 C ATOM 2831 OE1 GLU B 86 11.716 -3.536 -8.513 1.00 0.00 O ATOM 2832 OE2 GLU B 86 10.450 -5.270 -9.087 1.00 0.00 O ATOM 0 H GLU B 86 8.136 -2.353 -8.753 1.00 0.00 H new ATOM 0 HA GLU B 86 10.429 -1.453 -7.802 1.00 0.00 H new ATOM 0 HB2 GLU B 86 9.637 -1.160 -10.730 1.00 0.00 H new ATOM 0 HB3 GLU B 86 11.247 -1.452 -10.103 1.00 0.00 H new ATOM 0 HG2 GLU B 86 8.924 -3.413 -9.998 1.00 0.00 H new ATOM 0 HG3 GLU B 86 10.254 -3.466 -11.138 1.00 0.00 H new ATOM 2839 N ALA B 87 8.919 1.120 -9.228 1.00 0.00 N ATOM 2840 CA ALA B 87 8.798 2.573 -9.321 1.00 0.00 C ATOM 2841 C ALA B 87 9.170 3.308 -8.026 1.00 0.00 C ATOM 2842 O ALA B 87 9.798 4.362 -8.077 1.00 0.00 O ATOM 2843 CB ALA B 87 7.363 2.921 -9.723 1.00 0.00 C ATOM 0 H ALA B 87 8.144 0.638 -9.684 1.00 0.00 H new ATOM 0 HA ALA B 87 9.512 2.909 -10.073 1.00 0.00 H new ATOM 0 HB1 ALA B 87 7.258 4.003 -9.796 1.00 0.00 H new ATOM 0 HB2 ALA B 87 7.136 2.468 -10.688 1.00 0.00 H new ATOM 0 HB3 ALA B 87 6.672 2.540 -8.971 1.00 0.00 H new ATOM 2849 N LEU B 88 8.758 2.783 -6.868 1.00 0.00 N ATOM 2850 CA LEU B 88 8.999 3.419 -5.576 1.00 0.00 C ATOM 2851 C LEU B 88 10.448 3.266 -5.106 1.00 0.00 C ATOM 2852 O LEU B 88 10.862 3.979 -4.197 1.00 0.00 O ATOM 2853 CB LEU B 88 8.039 2.844 -4.524 1.00 0.00 C ATOM 2854 CG LEU B 88 6.573 3.252 -4.738 1.00 0.00 C ATOM 2855 CD1 LEU B 88 5.699 2.464 -3.759 1.00 0.00 C ATOM 2856 CD2 LEU B 88 6.355 4.750 -4.490 1.00 0.00 C ATOM 0 H LEU B 88 8.247 1.903 -6.804 1.00 0.00 H new ATOM 0 HA LEU B 88 8.816 4.486 -5.702 1.00 0.00 H new ATOM 0 HB2 LEU B 88 8.110 1.756 -4.536 1.00 0.00 H new ATOM 0 HB3 LEU B 88 8.358 3.173 -3.535 1.00 0.00 H new ATOM 0 HG LEU B 88 6.308 3.036 -5.773 1.00 0.00 H new ATOM 0 HD11 LEU B 88 4.654 2.743 -3.898 1.00 0.00 H new ATOM 0 HD12 LEU B 88 5.818 1.396 -3.944 1.00 0.00 H new ATOM 0 HD13 LEU B 88 6.002 2.691 -2.737 1.00 0.00 H new ATOM 0 HD21 LEU B 88 5.306 4.997 -4.652 1.00 0.00 H new ATOM 0 HD22 LEU B 88 6.631 4.993 -3.464 1.00 0.00 H new ATOM 0 HD23 LEU B 88 6.974 5.326 -5.178 1.00 0.00 H new