USER MOD reduce.3.24.130724 H: found=0, std=0, add=1058, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 1062 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 39 MET CE :methyl -109:sc= -5.88! (180deg=-13.7!) USER MOD Set 1.2: B 59 MET CE :methyl -126:sc= -17! (180deg=-19!) USER MOD Set 2.1: B 18 GLN :FLIP amide:sc= -2.47! C(o=-4.1!,f=-2.5!) USER MOD Set 2.2: B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 74 GLN :FLIP amide:sc= -1.92 F(o=-10!,f=-3.8) USER MOD Set 3.2: B 74 GLN :FLIP amide:sc= -1.91 F(o=-10!,f=-3.8) USER MOD Set 4.1: A 39 MET CE :methyl -109:sc= -5.94! (180deg=-13.7!) USER MOD Set 4.2: A 59 MET CE :methyl -147:sc= -16.9! (180deg=-19.4!) USER MOD Set 5.1: A 18 GLN :FLIP amide:sc= -2.62! C(o=-4.3!,f=-2.6!) USER MOD Set 5.2: A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= -0.0464 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0.0502 USER MOD Single : A 9 CYS SG : rot -49:sc= -1.71 USER MOD Single : A 12 SER OG : rot 78:sc= 1.03 USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -170:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= -0.0159 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 ASN : amide:sc= 0.0682 X(o=0.068,f=0) USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot -27:sc= 0.916 USER MOD Single : A 60 MET CE :methyl 174:sc= -2.71 (180deg=-2.9!) USER MOD Single : A 70 GLN :FLIP amide:sc= -3.05! C(o=-7.1!,f=-3!) USER MOD Single : A 78 ASN : amide:sc= -1.25 X(o=-1.3,f=-1.6!) USER MOD Single : A 87 CYS SG : rot 139:sc= -0.904 USER MOD Single : A 88 HIS : no HD1:sc= -3.95 K(o=-4,f=-5.4) USER MOD Single : A 90 SER OG : rot 170:sc=-4.58e-05 USER MOD Single : B 4 THR OG1 : rot 180:sc= -0.0331 USER MOD Single : B 6 THR OG1 : rot 180:sc= 0.068 USER MOD Single : B 9 CYS SG : rot -48:sc= -1.61 USER MOD Single : B 12 SER OG : rot 80:sc= 1.07 USER MOD Single : B 20 TYR OH : rot 180:sc= 0 USER MOD Single : B 29 THR OG1 : rot -170:sc= 0 USER MOD Single : B 31 SER OG : rot 180:sc= 0.0271 USER MOD Single : B 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 33 THR OG1 : rot 180:sc= 0 USER MOD Single : B 37 SER OG : rot 180:sc= 0 USER MOD Single : B 40 ASN : amide:sc= 0.0709 X(o=0.071,f=0) USER MOD Single : B 41 THR OG1 : rot 180:sc= 0 USER MOD Single : B 47 THR OG1 : rot -26:sc= 0.911 USER MOD Single : B 60 MET CE :methyl 177:sc= -2.57 (180deg=-2.74) USER MOD Single : B 70 GLN :FLIP amide:sc= -3.04! C(o=-7!,f=-3!) USER MOD Single : B 78 ASN : amide:sc= -1.3 X(o=-1.3,f=-1.6!) USER MOD Single : B 87 CYS SG : rot 139:sc= -0.893 USER MOD Single : B 88 HIS : no HD1:sc= -3.87 K(o=-3.9,f=-5.3) USER MOD Single : B 90 SER OG : rot 170:sc= 0.00327 USER MOD ----------------------------------------------------------------- ATOM 51 N THR A 4 7.854 -4.530 15.257 1.00 0.00 N ATOM 52 CA THR A 4 8.326 -3.195 14.900 1.00 0.00 C ATOM 53 C THR A 4 7.197 -2.344 14.343 1.00 0.00 C ATOM 54 O THR A 4 6.223 -2.851 13.788 1.00 0.00 O ATOM 55 CB THR A 4 9.481 -3.274 13.893 1.00 0.00 C ATOM 56 OG1 THR A 4 9.612 -2.056 13.179 1.00 0.00 O ATOM 57 CG2 THR A 4 9.335 -4.386 12.875 1.00 0.00 C ATOM 0 HA THR A 4 8.693 -2.721 15.810 1.00 0.00 H new ATOM 0 HB THR A 4 10.364 -3.480 14.499 1.00 0.00 H new ATOM 0 HG1 THR A 4 10.355 -2.127 12.544 1.00 0.00 H new ATOM 0 HG21 THR A 4 10.190 -4.376 12.200 1.00 0.00 H new ATOM 0 HG22 THR A 4 9.290 -5.346 13.389 1.00 0.00 H new ATOM 0 HG23 THR A 4 8.419 -4.238 12.303 1.00 0.00 H new ATOM 65 N GLU A 5 7.345 -1.039 14.513 1.00 0.00 N ATOM 66 CA GLU A 5 6.361 -0.073 14.050 1.00 0.00 C ATOM 67 C GLU A 5 5.889 -0.393 12.634 1.00 0.00 C ATOM 68 O GLU A 5 4.688 -0.443 12.366 1.00 0.00 O ATOM 69 CB GLU A 5 6.980 1.316 14.108 1.00 0.00 C ATOM 70 CG GLU A 5 6.049 2.382 14.661 1.00 0.00 C ATOM 71 CD GLU A 5 6.627 3.779 14.549 1.00 0.00 C ATOM 72 OE1 GLU A 5 7.500 3.992 13.681 1.00 0.00 O ATOM 73 OE2 GLU A 5 6.208 4.660 15.328 1.00 0.00 O ATOM 0 H GLU A 5 8.151 -0.620 14.976 1.00 0.00 H new ATOM 0 HA GLU A 5 5.485 -0.117 14.697 1.00 0.00 H new ATOM 0 HB2 GLU A 5 7.879 1.277 14.724 1.00 0.00 H new ATOM 0 HB3 GLU A 5 7.293 1.606 13.105 1.00 0.00 H new ATOM 0 HG2 GLU A 5 5.100 2.342 14.127 1.00 0.00 H new ATOM 0 HG3 GLU A 5 5.835 2.165 15.707 1.00 0.00 H new ATOM 80 N THR A 6 6.839 -0.626 11.735 1.00 0.00 N ATOM 81 CA THR A 6 6.514 -0.959 10.354 1.00 0.00 C ATOM 82 C THR A 6 5.774 -2.289 10.294 1.00 0.00 C ATOM 83 O THR A 6 4.805 -2.442 9.558 1.00 0.00 O ATOM 84 CB THR A 6 7.789 -1.035 9.511 1.00 0.00 C ATOM 85 OG1 THR A 6 8.797 -0.198 10.051 1.00 0.00 O ATOM 86 CG2 THR A 6 7.578 -0.630 8.070 1.00 0.00 C ATOM 0 H THR A 6 7.838 -0.590 11.938 1.00 0.00 H new ATOM 0 HA THR A 6 5.871 -0.176 9.951 1.00 0.00 H new ATOM 0 HB THR A 6 8.090 -2.082 9.536 1.00 0.00 H new ATOM 0 HG1 THR A 6 9.605 -0.261 9.500 1.00 0.00 H new ATOM 0 HG21 THR A 6 8.521 -0.707 7.529 1.00 0.00 H new ATOM 0 HG22 THR A 6 6.841 -1.289 7.611 1.00 0.00 H new ATOM 0 HG23 THR A 6 7.219 0.398 8.030 1.00 0.00 H new ATOM 94 N GLU A 7 6.232 -3.249 11.088 1.00 0.00 N ATOM 95 CA GLU A 7 5.612 -4.570 11.126 1.00 0.00 C ATOM 96 C GLU A 7 4.107 -4.452 11.341 1.00 0.00 C ATOM 97 O GLU A 7 3.333 -5.273 10.849 1.00 0.00 O ATOM 98 CB GLU A 7 6.238 -5.416 12.238 1.00 0.00 C ATOM 99 CG GLU A 7 7.212 -6.466 11.728 1.00 0.00 C ATOM 100 CD GLU A 7 6.537 -7.786 11.410 1.00 0.00 C ATOM 101 OE1 GLU A 7 5.349 -7.947 11.764 1.00 0.00 O ATOM 102 OE2 GLU A 7 7.196 -8.660 10.807 1.00 0.00 O ATOM 0 H GLU A 7 7.030 -3.139 11.714 1.00 0.00 H new ATOM 0 HA GLU A 7 5.787 -5.059 10.168 1.00 0.00 H new ATOM 0 HB2 GLU A 7 6.758 -4.758 12.935 1.00 0.00 H new ATOM 0 HB3 GLU A 7 5.444 -5.910 12.798 1.00 0.00 H new ATOM 0 HG2 GLU A 7 7.708 -6.091 10.832 1.00 0.00 H new ATOM 0 HG3 GLU A 7 7.987 -6.630 12.476 1.00 0.00 H new ATOM 109 N ARG A 8 3.698 -3.419 12.067 1.00 0.00 N ATOM 110 CA ARG A 8 2.285 -3.185 12.331 1.00 0.00 C ATOM 111 C ARG A 8 1.607 -2.526 11.130 1.00 0.00 C ATOM 112 O ARG A 8 0.407 -2.695 10.914 1.00 0.00 O ATOM 113 CB ARG A 8 2.114 -2.310 13.577 1.00 0.00 C ATOM 114 CG ARG A 8 1.125 -2.874 14.585 1.00 0.00 C ATOM 115 CD ARG A 8 -0.304 -2.485 14.244 1.00 0.00 C ATOM 116 NE ARG A 8 -1.263 -3.022 15.205 1.00 0.00 N ATOM 117 CZ ARG A 8 -1.695 -4.282 15.197 1.00 0.00 C ATOM 118 NH1 ARG A 8 -1.254 -5.136 14.281 1.00 0.00 N ATOM 119 NH2 ARG A 8 -2.569 -4.689 16.108 1.00 0.00 N ATOM 0 H ARG A 8 4.325 -2.730 12.483 1.00 0.00 H new ATOM 0 HA ARG A 8 1.809 -4.150 12.507 1.00 0.00 H new ATOM 0 HB2 ARG A 8 3.083 -2.188 14.061 1.00 0.00 H new ATOM 0 HB3 ARG A 8 1.783 -1.318 13.271 1.00 0.00 H new ATOM 0 HG2 ARG A 8 1.211 -3.960 14.611 1.00 0.00 H new ATOM 0 HG3 ARG A 8 1.374 -2.511 15.582 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -0.387 -1.398 14.218 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -0.550 -2.848 13.246 1.00 0.00 H new ATOM 0 HE ARG A 8 -1.623 -2.396 15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -0.581 -4.828 13.579 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -1.588 -6.100 14.279 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -2.910 -4.037 16.814 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -2.900 -5.654 16.102 1.00 0.00 H new ATOM 132 N CYS A 9 2.382 -1.767 10.355 1.00 0.00 N ATOM 133 CA CYS A 9 1.850 -1.077 9.182 1.00 0.00 C ATOM 134 C CYS A 9 1.584 -2.050 8.037 1.00 0.00 C ATOM 135 O CYS A 9 0.578 -1.937 7.336 1.00 0.00 O ATOM 136 CB CYS A 9 2.810 0.037 8.730 1.00 0.00 C ATOM 137 SG CYS A 9 4.196 -0.506 7.698 1.00 0.00 S ATOM 0 H CYS A 9 3.377 -1.615 10.518 1.00 0.00 H new ATOM 0 HA CYS A 9 0.899 -0.626 9.464 1.00 0.00 H new ATOM 0 HB2 CYS A 9 2.239 0.784 8.179 1.00 0.00 H new ATOM 0 HB3 CYS A 9 3.210 0.531 9.616 1.00 0.00 H new ATOM 0 HG CYS A 9 4.778 -1.526 8.255 1.00 0.00 H new ATOM 143 N ILE A 10 2.494 -2.997 7.847 1.00 0.00 N ATOM 144 CA ILE A 10 2.363 -3.977 6.783 1.00 0.00 C ATOM 145 C ILE A 10 1.183 -4.914 7.015 1.00 0.00 C ATOM 146 O ILE A 10 0.311 -5.050 6.162 1.00 0.00 O ATOM 147 CB ILE A 10 3.645 -4.824 6.654 1.00 0.00 C ATOM 148 CG1 ILE A 10 4.870 -3.925 6.507 1.00 0.00 C ATOM 149 CG2 ILE A 10 3.541 -5.770 5.472 1.00 0.00 C ATOM 150 CD1 ILE A 10 5.800 -3.967 7.692 1.00 0.00 C ATOM 0 H ILE A 10 3.332 -3.105 8.419 1.00 0.00 H new ATOM 0 HA ILE A 10 2.194 -3.416 5.864 1.00 0.00 H new ATOM 0 HB ILE A 10 3.757 -5.415 7.563 1.00 0.00 H new ATOM 0 HG12 ILE A 10 5.421 -4.220 5.614 1.00 0.00 H new ATOM 0 HG13 ILE A 10 4.539 -2.898 6.353 1.00 0.00 H new ATOM 0 HG21 ILE A 10 4.455 -6.360 5.396 1.00 0.00 H new ATOM 0 HG22 ILE A 10 2.690 -6.436 5.613 1.00 0.00 H new ATOM 0 HG23 ILE A 10 3.404 -5.195 4.556 1.00 0.00 H new ATOM 0 HD11 ILE A 10 6.646 -3.303 7.514 1.00 0.00 H new ATOM 0 HD12 ILE A 10 5.266 -3.643 8.585 1.00 0.00 H new ATOM 0 HD13 ILE A 10 6.161 -4.985 7.835 1.00 0.00 H new ATOM 162 N GLU A 11 1.175 -5.575 8.165 1.00 0.00 N ATOM 163 CA GLU A 11 0.122 -6.529 8.499 1.00 0.00 C ATOM 164 C GLU A 11 -1.275 -5.935 8.339 1.00 0.00 C ATOM 165 O GLU A 11 -2.238 -6.665 8.102 1.00 0.00 O ATOM 166 CB GLU A 11 0.308 -7.044 9.925 1.00 0.00 C ATOM 167 CG GLU A 11 0.641 -8.524 9.988 1.00 0.00 C ATOM 168 CD GLU A 11 -0.176 -9.266 11.028 1.00 0.00 C ATOM 169 OE1 GLU A 11 -1.334 -9.625 10.728 1.00 0.00 O ATOM 170 OE2 GLU A 11 0.343 -9.487 12.143 1.00 0.00 O ATOM 0 H GLU A 11 1.889 -5.468 8.886 1.00 0.00 H new ATOM 0 HA GLU A 11 0.206 -7.357 7.795 1.00 0.00 H new ATOM 0 HB2 GLU A 11 1.105 -6.478 10.408 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -0.604 -6.859 10.493 1.00 0.00 H new ATOM 0 HG2 GLU A 11 0.469 -8.973 9.010 1.00 0.00 H new ATOM 0 HG3 GLU A 11 1.701 -8.644 10.212 1.00 0.00 H new ATOM 177 N SER A 12 -1.391 -4.626 8.486 1.00 0.00 N ATOM 178 CA SER A 12 -2.688 -3.972 8.374 1.00 0.00 C ATOM 179 C SER A 12 -3.195 -3.928 6.929 1.00 0.00 C ATOM 180 O SER A 12 -4.297 -4.393 6.646 1.00 0.00 O ATOM 181 CB SER A 12 -2.611 -2.558 8.946 1.00 0.00 C ATOM 182 OG SER A 12 -1.946 -2.549 10.197 1.00 0.00 O ATOM 0 H SER A 12 -0.611 -3.998 8.682 1.00 0.00 H new ATOM 0 HA SER A 12 -3.401 -4.563 8.949 1.00 0.00 H new ATOM 0 HB2 SER A 12 -2.085 -1.908 8.247 1.00 0.00 H new ATOM 0 HB3 SER A 12 -3.617 -2.154 9.062 1.00 0.00 H new ATOM 0 HG SER A 12 -0.979 -2.616 10.054 1.00 0.00 H new ATOM 188 N LEU A 13 -2.404 -3.359 6.018 1.00 0.00 N ATOM 189 CA LEU A 13 -2.804 -3.247 4.618 1.00 0.00 C ATOM 190 C LEU A 13 -2.949 -4.609 3.933 1.00 0.00 C ATOM 191 O LEU A 13 -3.728 -4.760 2.993 1.00 0.00 O ATOM 192 CB LEU A 13 -1.804 -2.375 3.873 1.00 0.00 C ATOM 193 CG LEU A 13 -2.168 -0.892 3.829 1.00 0.00 C ATOM 194 CD1 LEU A 13 -3.539 -0.695 3.205 1.00 0.00 C ATOM 195 CD2 LEU A 13 -2.146 -0.276 5.215 1.00 0.00 C ATOM 0 H LEU A 13 -1.484 -2.970 6.226 1.00 0.00 H new ATOM 0 HA LEU A 13 -3.790 -2.784 4.592 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.826 -2.483 4.343 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -1.709 -2.744 2.852 1.00 0.00 H new ATOM 0 HG LEU A 13 -1.419 -0.391 3.216 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.779 0.368 3.183 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.536 -1.087 2.188 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -4.287 -1.224 3.796 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -2.409 0.780 5.148 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -2.865 -0.790 5.853 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -1.148 -0.375 5.641 1.00 0.00 H new ATOM 207 N ILE A 14 -2.217 -5.604 4.402 1.00 0.00 N ATOM 208 CA ILE A 14 -2.306 -6.931 3.830 1.00 0.00 C ATOM 209 C ILE A 14 -3.638 -7.554 4.143 1.00 0.00 C ATOM 210 O ILE A 14 -4.195 -8.308 3.351 1.00 0.00 O ATOM 211 CB ILE A 14 -1.277 -7.867 4.447 1.00 0.00 C ATOM 212 CG1 ILE A 14 0.106 -7.264 4.428 1.00 0.00 C ATOM 213 CG2 ILE A 14 -1.297 -9.199 3.747 1.00 0.00 C ATOM 214 CD1 ILE A 14 0.960 -7.816 5.532 1.00 0.00 C ATOM 0 H ILE A 14 -1.557 -5.517 5.175 1.00 0.00 H new ATOM 0 HA ILE A 14 -2.148 -6.811 2.758 1.00 0.00 H new ATOM 0 HB ILE A 14 -1.546 -8.020 5.492 1.00 0.00 H new ATOM 0 HG12 ILE A 14 0.578 -7.464 3.466 1.00 0.00 H new ATOM 0 HG13 ILE A 14 0.034 -6.181 4.529 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -0.556 -9.859 4.199 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -2.287 -9.646 3.843 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -1.063 -9.059 2.692 1.00 0.00 H new ATOM 0 HD11 ILE A 14 1.949 -7.360 5.489 1.00 0.00 H new ATOM 0 HD12 ILE A 14 0.499 -7.593 6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 14 1.052 -8.896 5.415 1.00 0.00 H new ATOM 226 N ALA A 15 -4.092 -7.272 5.345 1.00 0.00 N ATOM 227 CA ALA A 15 -5.308 -7.837 5.861 1.00 0.00 C ATOM 228 C ALA A 15 -6.543 -7.181 5.277 1.00 0.00 C ATOM 229 O ALA A 15 -7.509 -7.865 4.938 1.00 0.00 O ATOM 230 CB ALA A 15 -5.256 -7.757 7.365 1.00 0.00 C ATOM 0 H ALA A 15 -3.621 -6.639 5.992 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.386 -8.882 5.560 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -6.169 -8.180 7.784 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.396 -8.318 7.730 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -5.166 -6.715 7.671 1.00 0.00 H new ATOM 236 N VAL A 16 -6.501 -5.867 5.109 1.00 0.00 N ATOM 237 CA VAL A 16 -7.612 -5.162 4.506 1.00 0.00 C ATOM 238 C VAL A 16 -7.974 -5.855 3.201 1.00 0.00 C ATOM 239 O VAL A 16 -9.134 -5.901 2.791 1.00 0.00 O ATOM 240 CB VAL A 16 -7.229 -3.704 4.193 1.00 0.00 C ATOM 241 CG1 VAL A 16 -6.752 -2.988 5.434 1.00 0.00 C ATOM 242 CG2 VAL A 16 -6.145 -3.664 3.140 1.00 0.00 C ATOM 0 H VAL A 16 -5.715 -5.276 5.380 1.00 0.00 H new ATOM 0 HA VAL A 16 -8.452 -5.167 5.201 1.00 0.00 H new ATOM 0 HB VAL A 16 -8.119 -3.197 3.820 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -6.488 -1.961 5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -7.546 -2.987 6.181 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -5.877 -3.499 5.835 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.883 -2.628 2.927 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -5.265 -4.194 3.504 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -6.505 -4.142 2.229 1.00 0.00 H new ATOM 252 N PHE A 17 -6.935 -6.376 2.553 1.00 0.00 N ATOM 253 CA PHE A 17 -7.078 -7.059 1.277 1.00 0.00 C ATOM 254 C PHE A 17 -7.554 -8.509 1.417 1.00 0.00 C ATOM 255 O PHE A 17 -8.576 -8.881 0.843 1.00 0.00 O ATOM 256 CB PHE A 17 -5.734 -7.035 0.535 1.00 0.00 C ATOM 257 CG PHE A 17 -5.519 -8.207 -0.385 1.00 0.00 C ATOM 258 CD1 PHE A 17 -6.437 -8.499 -1.382 1.00 0.00 C ATOM 259 CD2 PHE A 17 -4.406 -9.020 -0.244 1.00 0.00 C ATOM 260 CE1 PHE A 17 -6.246 -9.579 -2.223 1.00 0.00 C ATOM 261 CE2 PHE A 17 -4.210 -10.101 -1.081 1.00 0.00 C ATOM 262 CZ PHE A 17 -5.132 -10.381 -2.072 1.00 0.00 C ATOM 0 H PHE A 17 -5.976 -6.335 2.898 1.00 0.00 H new ATOM 0 HA PHE A 17 -7.845 -6.526 0.715 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -5.668 -6.115 -0.045 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.927 -7.009 1.267 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -7.311 -7.876 -1.503 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.683 -8.806 0.529 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -6.967 -9.795 -2.997 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.338 -10.727 -0.961 1.00 0.00 H new ATOM 0 HZ PHE A 17 -4.981 -11.226 -2.727 1.00 0.00 H new ATOM 272 N GLN A 18 -6.789 -9.330 2.140 1.00 0.00 N ATOM 273 CA GLN A 18 -7.117 -10.749 2.294 1.00 0.00 C ATOM 274 C GLN A 18 -8.340 -10.985 3.167 1.00 0.00 C ATOM 275 O GLN A 18 -8.999 -12.015 3.039 1.00 0.00 O ATOM 276 CB GLN A 18 -5.922 -11.533 2.840 1.00 0.00 C ATOM 277 CG GLN A 18 -5.114 -10.773 3.868 1.00 0.00 C ATOM 278 CD GLN A 18 -5.333 -11.285 5.263 1.00 0.00 C ATOM 279 OE1 GLN A 18 -6.332 -10.726 5.918 1.00 0.00 O flip ATOM 280 NE2 GLN A 18 -4.618 -12.165 5.745 1.00 0.00 N flip ATOM 0 H GLN A 18 -5.941 -9.038 2.626 1.00 0.00 H new ATOM 0 HA GLN A 18 -7.360 -11.113 1.296 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.281 -12.461 3.286 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -5.271 -11.809 2.011 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -4.055 -10.846 3.620 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -5.380 -9.717 3.826 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -3.858 -12.564 5.194 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -4.786 -12.495 6.695 1.00 0.00 H new ATOM 289 N LYS A 19 -8.652 -10.050 4.057 1.00 0.00 N ATOM 290 CA LYS A 19 -9.810 -10.223 4.925 1.00 0.00 C ATOM 291 C LYS A 19 -11.047 -10.516 4.084 1.00 0.00 C ATOM 292 O LYS A 19 -11.741 -11.509 4.304 1.00 0.00 O ATOM 293 CB LYS A 19 -10.036 -8.970 5.774 1.00 0.00 C ATOM 294 CG LYS A 19 -11.095 -9.148 6.850 1.00 0.00 C ATOM 295 CD LYS A 19 -10.616 -10.075 7.955 1.00 0.00 C ATOM 296 CE LYS A 19 -9.509 -9.436 8.781 1.00 0.00 C ATOM 297 NZ LYS A 19 -8.386 -10.381 9.031 1.00 0.00 N ATOM 0 H LYS A 19 -8.133 -9.183 4.195 1.00 0.00 H new ATOM 0 HA LYS A 19 -9.624 -11.064 5.593 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -9.095 -8.686 6.245 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -10.327 -8.147 5.122 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -11.351 -8.177 7.274 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -12.004 -9.551 6.404 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -11.453 -10.332 8.604 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -10.254 -11.006 7.519 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -9.133 -8.554 8.263 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -9.917 -9.097 9.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -7.653 -9.907 9.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -8.740 -11.211 9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -7.980 -10.685 8.123 1.00 0.00 H new ATOM 311 N TYR A 20 -11.287 -9.668 3.091 1.00 0.00 N ATOM 312 CA TYR A 20 -12.403 -9.853 2.178 1.00 0.00 C ATOM 313 C TYR A 20 -12.028 -10.874 1.116 1.00 0.00 C ATOM 314 O TYR A 20 -12.826 -11.725 0.721 1.00 0.00 O ATOM 315 CB TYR A 20 -12.796 -8.526 1.530 1.00 0.00 C ATOM 316 CG TYR A 20 -12.710 -7.343 2.472 1.00 0.00 C ATOM 317 CD1 TYR A 20 -13.491 -7.287 3.620 1.00 0.00 C ATOM 318 CD2 TYR A 20 -11.846 -6.286 2.215 1.00 0.00 C ATOM 319 CE1 TYR A 20 -13.414 -6.211 4.485 1.00 0.00 C ATOM 320 CE2 TYR A 20 -11.763 -5.208 3.075 1.00 0.00 C ATOM 321 CZ TYR A 20 -12.547 -5.175 4.209 1.00 0.00 C ATOM 322 OH TYR A 20 -12.467 -4.103 5.067 1.00 0.00 O ATOM 0 H TYR A 20 -10.719 -8.843 2.899 1.00 0.00 H new ATOM 0 HA TYR A 20 -13.262 -10.221 2.739 1.00 0.00 H new ATOM 0 HB2 TYR A 20 -12.149 -8.344 0.672 1.00 0.00 H new ATOM 0 HB3 TYR A 20 -13.815 -8.604 1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 20 -14.170 -8.098 3.840 1.00 0.00 H new ATOM 0 HD2 TYR A 20 -11.229 -6.307 1.329 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -14.030 -6.182 5.372 1.00 0.00 H new ATOM 0 HE2 TYR A 20 -11.087 -4.394 2.860 1.00 0.00 H new ATOM 0 HH TYR A 20 -11.808 -3.461 4.728 1.00 0.00 H new ATOM 332 N ALA A 21 -10.787 -10.752 0.659 1.00 0.00 N ATOM 333 CA ALA A 21 -10.227 -11.616 -0.369 1.00 0.00 C ATOM 334 C ALA A 21 -10.163 -13.078 0.074 1.00 0.00 C ATOM 335 O ALA A 21 -9.943 -13.969 -0.745 1.00 0.00 O ATOM 336 CB ALA A 21 -8.844 -11.102 -0.739 1.00 0.00 C ATOM 0 H ALA A 21 -10.136 -10.043 0.996 1.00 0.00 H new ATOM 0 HA ALA A 21 -10.882 -11.588 -1.240 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -8.412 -11.741 -1.509 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.924 -10.082 -1.116 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.204 -11.114 0.143 1.00 0.00 H new ATOM 342 N GLY A 22 -10.355 -13.322 1.367 1.00 0.00 N ATOM 343 CA GLY A 22 -10.313 -14.679 1.877 1.00 0.00 C ATOM 344 C GLY A 22 -11.504 -15.504 1.428 1.00 0.00 C ATOM 345 O GLY A 22 -12.327 -15.915 2.245 1.00 0.00 O ATOM 0 H GLY A 22 -10.539 -12.605 2.069 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -9.394 -15.161 1.543 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -10.282 -14.654 2.966 1.00 0.00 H new ATOM 419 N VAL A 28 -6.152 -15.924 -3.836 1.00 0.00 N ATOM 420 CA VAL A 28 -5.646 -14.759 -3.121 1.00 0.00 C ATOM 421 C VAL A 28 -5.943 -13.472 -3.887 1.00 0.00 C ATOM 422 O VAL A 28 -5.030 -12.770 -4.324 1.00 0.00 O ATOM 423 CB VAL A 28 -4.128 -14.872 -2.874 1.00 0.00 C ATOM 424 CG1 VAL A 28 -3.371 -14.942 -4.192 1.00 0.00 C ATOM 425 CG2 VAL A 28 -3.634 -13.707 -2.026 1.00 0.00 C ATOM 0 HA VAL A 28 -6.158 -14.725 -2.159 1.00 0.00 H new ATOM 0 HB VAL A 28 -3.939 -15.795 -2.326 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -2.302 -15.021 -3.994 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -3.701 -15.815 -4.755 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -3.567 -14.040 -4.772 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -2.561 -13.805 -1.863 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -3.838 -12.769 -2.542 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -4.149 -13.712 -1.065 1.00 0.00 H new ATOM 435 N THR A 29 -7.228 -13.168 -4.044 1.00 0.00 N ATOM 436 CA THR A 29 -7.651 -11.967 -4.754 1.00 0.00 C ATOM 437 C THR A 29 -8.957 -11.426 -4.177 1.00 0.00 C ATOM 438 O THR A 29 -9.510 -11.983 -3.229 1.00 0.00 O ATOM 439 CB THR A 29 -7.825 -12.260 -6.244 1.00 0.00 C ATOM 440 OG1 THR A 29 -8.507 -13.486 -6.440 1.00 0.00 O ATOM 441 CG2 THR A 29 -6.514 -12.338 -6.999 1.00 0.00 C ATOM 0 H THR A 29 -7.995 -13.738 -3.688 1.00 0.00 H new ATOM 0 HA THR A 29 -6.875 -11.212 -4.628 1.00 0.00 H new ATOM 0 HB THR A 29 -8.401 -11.421 -6.635 1.00 0.00 H new ATOM 0 HG1 THR A 29 -8.470 -13.733 -7.388 1.00 0.00 H new ATOM 0 HG21 THR A 29 -6.711 -12.548 -8.050 1.00 0.00 H new ATOM 0 HG22 THR A 29 -5.987 -11.388 -6.912 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.899 -13.134 -6.579 1.00 0.00 H new ATOM 449 N LEU A 30 -9.441 -10.336 -4.761 1.00 0.00 N ATOM 450 CA LEU A 30 -10.682 -9.702 -4.319 1.00 0.00 C ATOM 451 C LEU A 30 -11.502 -9.259 -5.531 1.00 0.00 C ATOM 452 O LEU A 30 -11.266 -9.720 -6.645 1.00 0.00 O ATOM 453 CB LEU A 30 -10.357 -8.489 -3.427 1.00 0.00 C ATOM 454 CG LEU A 30 -11.316 -8.202 -2.252 1.00 0.00 C ATOM 455 CD1 LEU A 30 -11.980 -6.842 -2.418 1.00 0.00 C ATOM 456 CD2 LEU A 30 -12.370 -9.291 -2.105 1.00 0.00 C ATOM 0 H LEU A 30 -8.991 -9.868 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 30 -11.266 -10.420 -3.743 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -9.355 -8.627 -3.020 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -10.324 -7.603 -4.061 1.00 0.00 H new ATOM 0 HG LEU A 30 -10.719 -8.193 -1.340 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -12.652 -6.660 -1.579 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -11.216 -6.065 -2.446 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -12.548 -6.826 -3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -13.025 -9.052 -1.267 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.959 -9.353 -3.020 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -11.881 -10.248 -1.922 1.00 0.00 H new ATOM 468 N SER A 31 -12.441 -8.346 -5.317 1.00 0.00 N ATOM 469 CA SER A 31 -13.265 -7.831 -6.403 1.00 0.00 C ATOM 470 C SER A 31 -13.412 -6.318 -6.287 1.00 0.00 C ATOM 471 O SER A 31 -13.708 -5.796 -5.212 1.00 0.00 O ATOM 472 CB SER A 31 -14.643 -8.505 -6.399 1.00 0.00 C ATOM 473 OG SER A 31 -15.691 -7.551 -6.339 1.00 0.00 O ATOM 0 H SER A 31 -12.651 -7.947 -4.402 1.00 0.00 H new ATOM 0 HA SER A 31 -12.773 -8.060 -7.348 1.00 0.00 H new ATOM 0 HB2 SER A 31 -14.754 -9.112 -7.297 1.00 0.00 H new ATOM 0 HB3 SER A 31 -14.716 -9.180 -5.547 1.00 0.00 H new ATOM 0 HG SER A 31 -16.555 -8.014 -6.340 1.00 0.00 H new ATOM 479 N LYS A 32 -13.205 -5.618 -7.397 1.00 0.00 N ATOM 480 CA LYS A 32 -13.316 -4.162 -7.413 1.00 0.00 C ATOM 481 C LYS A 32 -14.626 -3.719 -6.771 1.00 0.00 C ATOM 482 O LYS A 32 -14.666 -2.746 -6.019 1.00 0.00 O ATOM 483 CB LYS A 32 -13.232 -3.634 -8.846 1.00 0.00 C ATOM 484 CG LYS A 32 -14.173 -4.340 -9.812 1.00 0.00 C ATOM 485 CD LYS A 32 -15.371 -3.470 -10.167 1.00 0.00 C ATOM 486 CE LYS A 32 -15.430 -3.183 -11.660 1.00 0.00 C ATOM 487 NZ LYS A 32 -16.221 -1.957 -11.958 1.00 0.00 N ATOM 0 H LYS A 32 -12.960 -6.033 -8.296 1.00 0.00 H new ATOM 0 HA LYS A 32 -12.486 -3.751 -6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -13.459 -2.568 -8.845 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -12.208 -3.742 -9.205 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -13.632 -4.603 -10.721 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -14.520 -5.273 -9.367 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -16.289 -3.968 -9.855 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -15.315 -2.531 -9.617 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -14.418 -3.065 -12.048 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -15.872 -4.035 -12.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -16.237 -1.796 -12.985 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -17.194 -2.079 -11.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -15.785 -1.139 -11.486 1.00 0.00 H new ATOM 501 N THR A 33 -15.694 -4.452 -7.067 1.00 0.00 N ATOM 502 CA THR A 33 -17.004 -4.152 -6.516 1.00 0.00 C ATOM 503 C THR A 33 -17.072 -4.557 -5.045 1.00 0.00 C ATOM 504 O THR A 33 -17.623 -3.834 -4.221 1.00 0.00 O ATOM 505 CB THR A 33 -18.091 -4.874 -7.319 1.00 0.00 C ATOM 506 OG1 THR A 33 -18.586 -4.041 -8.353 1.00 0.00 O ATOM 507 CG2 THR A 33 -19.270 -5.307 -6.476 1.00 0.00 C ATOM 0 H THR A 33 -15.674 -5.261 -7.688 1.00 0.00 H new ATOM 0 HA THR A 33 -17.173 -3.077 -6.584 1.00 0.00 H new ATOM 0 HB THR A 33 -17.608 -5.764 -7.724 1.00 0.00 H new ATOM 0 HG1 THR A 33 -19.278 -4.520 -8.856 1.00 0.00 H new ATOM 0 HG21 THR A 33 -20.002 -5.812 -7.106 1.00 0.00 H new ATOM 0 HG22 THR A 33 -18.929 -5.990 -5.698 1.00 0.00 H new ATOM 0 HG23 THR A 33 -19.729 -4.432 -6.016 1.00 0.00 H new ATOM 515 N GLU A 34 -16.509 -5.714 -4.714 1.00 0.00 N ATOM 516 CA GLU A 34 -16.517 -6.180 -3.335 1.00 0.00 C ATOM 517 C GLU A 34 -15.823 -5.161 -2.443 1.00 0.00 C ATOM 518 O GLU A 34 -16.190 -4.978 -1.283 1.00 0.00 O ATOM 519 CB GLU A 34 -15.829 -7.543 -3.221 1.00 0.00 C ATOM 520 CG GLU A 34 -16.764 -8.658 -2.784 1.00 0.00 C ATOM 521 CD GLU A 34 -16.030 -9.951 -2.487 1.00 0.00 C ATOM 522 OE1 GLU A 34 -15.084 -9.922 -1.672 1.00 0.00 O ATOM 523 OE2 GLU A 34 -16.401 -10.992 -3.069 1.00 0.00 O ATOM 0 H GLU A 34 -16.047 -6.339 -5.374 1.00 0.00 H new ATOM 0 HA GLU A 34 -17.551 -6.293 -3.010 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -15.392 -7.803 -4.185 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -15.007 -7.468 -2.509 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -17.310 -8.342 -1.895 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -17.503 -8.835 -3.566 1.00 0.00 H new ATOM 530 N PHE A 35 -14.830 -4.487 -3.011 1.00 0.00 N ATOM 531 CA PHE A 35 -14.081 -3.467 -2.287 1.00 0.00 C ATOM 532 C PHE A 35 -14.963 -2.247 -2.021 1.00 0.00 C ATOM 533 O PHE A 35 -14.752 -1.512 -1.058 1.00 0.00 O ATOM 534 CB PHE A 35 -12.827 -3.058 -3.074 1.00 0.00 C ATOM 535 CG PHE A 35 -11.747 -2.426 -2.231 1.00 0.00 C ATOM 536 CD1 PHE A 35 -11.963 -2.121 -0.893 1.00 0.00 C ATOM 537 CD2 PHE A 35 -10.510 -2.134 -2.785 1.00 0.00 C ATOM 538 CE1 PHE A 35 -10.970 -1.539 -0.130 1.00 0.00 C ATOM 539 CE2 PHE A 35 -9.513 -1.552 -2.024 1.00 0.00 C ATOM 540 CZ PHE A 35 -9.744 -1.254 -0.697 1.00 0.00 C ATOM 0 H PHE A 35 -14.524 -4.629 -3.974 1.00 0.00 H new ATOM 0 HA PHE A 35 -13.767 -3.885 -1.331 1.00 0.00 H new ATOM 0 HB2 PHE A 35 -12.418 -3.939 -3.568 1.00 0.00 H new ATOM 0 HB3 PHE A 35 -13.116 -2.359 -3.859 1.00 0.00 H new ATOM 0 HD1 PHE A 35 -12.920 -2.342 -0.444 1.00 0.00 H new ATOM 0 HD2 PHE A 35 -10.323 -2.364 -3.824 1.00 0.00 H new ATOM 0 HE1 PHE A 35 -11.152 -1.307 0.909 1.00 0.00 H new ATOM 0 HE2 PHE A 35 -8.554 -1.331 -2.468 1.00 0.00 H new ATOM 0 HZ PHE A 35 -8.966 -0.798 -0.102 1.00 0.00 H new ATOM 550 N LEU A 36 -15.956 -2.040 -2.882 1.00 0.00 N ATOM 551 CA LEU A 36 -16.872 -0.913 -2.737 1.00 0.00 C ATOM 552 C LEU A 36 -17.528 -0.914 -1.376 1.00 0.00 C ATOM 553 O LEU A 36 -17.427 0.045 -0.610 1.00 0.00 O ATOM 554 CB LEU A 36 -17.979 -1.002 -3.782 1.00 0.00 C ATOM 555 CG LEU A 36 -17.759 -0.160 -5.015 1.00 0.00 C ATOM 556 CD1 LEU A 36 -17.749 1.311 -4.636 1.00 0.00 C ATOM 557 CD2 LEU A 36 -16.464 -0.567 -5.695 1.00 0.00 C ATOM 0 H LEU A 36 -16.146 -2.637 -3.686 1.00 0.00 H new ATOM 0 HA LEU A 36 -16.288 -0.001 -2.864 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.089 -2.043 -4.086 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -18.920 -0.704 -3.319 1.00 0.00 H new ATOM 0 HG LEU A 36 -18.573 -0.322 -5.721 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.590 1.916 -5.529 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -18.704 1.577 -4.183 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -16.946 1.498 -3.923 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -16.312 0.045 -6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -15.631 -0.422 -5.008 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -16.518 -1.617 -5.982 1.00 0.00 H new ATOM 569 N SER A 37 -18.224 -1.999 -1.104 1.00 0.00 N ATOM 570 CA SER A 37 -18.940 -2.148 0.147 1.00 0.00 C ATOM 571 C SER A 37 -17.990 -2.078 1.338 1.00 0.00 C ATOM 572 O SER A 37 -18.270 -1.399 2.327 1.00 0.00 O ATOM 573 CB SER A 37 -19.713 -3.469 0.168 1.00 0.00 C ATOM 574 OG SER A 37 -20.500 -3.619 -1.001 1.00 0.00 O ATOM 0 H SER A 37 -18.309 -2.795 -1.736 1.00 0.00 H new ATOM 0 HA SER A 37 -19.647 -1.322 0.226 1.00 0.00 H new ATOM 0 HB2 SER A 37 -19.014 -4.302 0.249 1.00 0.00 H new ATOM 0 HB3 SER A 37 -20.354 -3.505 1.049 1.00 0.00 H new ATOM 0 HG SER A 37 -20.982 -4.471 -0.964 1.00 0.00 H new ATOM 580 N PHE A 38 -16.865 -2.780 1.238 1.00 0.00 N ATOM 581 CA PHE A 38 -15.874 -2.790 2.309 1.00 0.00 C ATOM 582 C PHE A 38 -15.396 -1.376 2.615 1.00 0.00 C ATOM 583 O PHE A 38 -14.969 -1.081 3.731 1.00 0.00 O ATOM 584 CB PHE A 38 -14.680 -3.668 1.926 1.00 0.00 C ATOM 585 CG PHE A 38 -15.060 -4.977 1.291 1.00 0.00 C ATOM 586 CD1 PHE A 38 -16.278 -5.579 1.574 1.00 0.00 C ATOM 587 CD2 PHE A 38 -14.198 -5.604 0.408 1.00 0.00 C ATOM 588 CE1 PHE A 38 -16.625 -6.782 0.987 1.00 0.00 C ATOM 589 CE2 PHE A 38 -14.540 -6.805 -0.182 1.00 0.00 C ATOM 590 CZ PHE A 38 -15.754 -7.394 0.108 1.00 0.00 C ATOM 0 H PHE A 38 -16.617 -3.348 0.428 1.00 0.00 H new ATOM 0 HA PHE A 38 -16.346 -3.201 3.201 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.041 -3.114 1.238 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.088 -3.868 2.819 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.962 -5.103 2.260 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -13.246 -5.148 0.178 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -17.575 -7.242 1.216 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -13.858 -7.283 -0.870 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.022 -8.333 -0.353 1.00 0.00 H new ATOM 600 N MET A 39 -15.469 -0.507 1.615 1.00 0.00 N ATOM 601 CA MET A 39 -15.047 0.876 1.774 1.00 0.00 C ATOM 602 C MET A 39 -16.111 1.689 2.508 1.00 0.00 C ATOM 603 O MET A 39 -15.839 2.305 3.534 1.00 0.00 O ATOM 604 CB MET A 39 -14.760 1.497 0.404 1.00 0.00 C ATOM 605 CG MET A 39 -14.396 2.971 0.465 1.00 0.00 C ATOM 606 SD MET A 39 -13.029 3.395 -0.630 1.00 0.00 S ATOM 607 CE MET A 39 -11.721 2.385 0.060 1.00 0.00 C ATOM 0 H MET A 39 -15.817 -0.737 0.684 1.00 0.00 H new ATOM 0 HA MET A 39 -14.135 0.891 2.371 1.00 0.00 H new ATOM 0 HB2 MET A 39 -13.945 0.950 -0.069 1.00 0.00 H new ATOM 0 HB3 MET A 39 -15.637 1.375 -0.231 1.00 0.00 H new ATOM 0 HG2 MET A 39 -15.268 3.568 0.199 1.00 0.00 H new ATOM 0 HG3 MET A 39 -14.131 3.234 1.489 1.00 0.00 H new ATOM 0 HE1 MET A 39 -10.994 3.024 0.562 1.00 0.00 H new ATOM 0 HE2 MET A 39 -12.144 1.683 0.778 1.00 0.00 H new ATOM 0 HE3 MET A 39 -11.227 1.833 -0.740 1.00 0.00 H new ATOM 617 N ASN A 40 -17.322 1.687 1.968 1.00 0.00 N ATOM 618 CA ASN A 40 -18.430 2.428 2.561 1.00 0.00 C ATOM 619 C ASN A 40 -18.697 2.002 4.006 1.00 0.00 C ATOM 620 O ASN A 40 -19.345 2.730 4.760 1.00 0.00 O ATOM 621 CB ASN A 40 -19.697 2.237 1.724 1.00 0.00 C ATOM 622 CG ASN A 40 -19.645 2.998 0.413 1.00 0.00 C ATOM 623 OD1 ASN A 40 -19.788 4.221 0.387 1.00 0.00 O ATOM 624 ND2 ASN A 40 -19.443 2.277 -0.685 1.00 0.00 N ATOM 0 H ASN A 40 -17.564 1.179 1.117 1.00 0.00 H new ATOM 0 HA ASN A 40 -18.149 3.481 2.571 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -19.837 1.176 1.519 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.562 2.568 2.299 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -19.401 2.735 -1.595 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -19.330 1.266 -0.617 1.00 0.00 H new ATOM 631 N THR A 41 -18.223 0.819 4.385 1.00 0.00 N ATOM 632 CA THR A 41 -18.447 0.309 5.738 1.00 0.00 C ATOM 633 C THR A 41 -17.274 0.577 6.671 1.00 0.00 C ATOM 634 O THR A 41 -17.458 0.706 7.881 1.00 0.00 O ATOM 635 CB THR A 41 -18.711 -1.197 5.701 1.00 0.00 C ATOM 636 OG1 THR A 41 -19.029 -1.683 6.992 1.00 0.00 O ATOM 637 CG2 THR A 41 -17.540 -2.004 5.185 1.00 0.00 C ATOM 0 H THR A 41 -17.685 0.198 3.781 1.00 0.00 H new ATOM 0 HA THR A 41 -19.315 0.841 6.127 1.00 0.00 H new ATOM 0 HB THR A 41 -19.547 -1.322 5.012 1.00 0.00 H new ATOM 0 HG1 THR A 41 -19.196 -2.648 6.946 1.00 0.00 H new ATOM 0 HG21 THR A 41 -17.799 -3.063 5.187 1.00 0.00 H new ATOM 0 HG22 THR A 41 -17.302 -1.690 4.169 1.00 0.00 H new ATOM 0 HG23 THR A 41 -16.675 -1.841 5.827 1.00 0.00 H new ATOM 645 N GLU A 42 -16.064 0.614 6.126 1.00 0.00 N ATOM 646 CA GLU A 42 -14.879 0.812 6.954 1.00 0.00 C ATOM 647 C GLU A 42 -14.003 1.959 6.453 1.00 0.00 C ATOM 648 O GLU A 42 -13.435 2.706 7.250 1.00 0.00 O ATOM 649 CB GLU A 42 -14.073 -0.490 7.007 1.00 0.00 C ATOM 650 CG GLU A 42 -14.931 -1.750 6.911 1.00 0.00 C ATOM 651 CD GLU A 42 -14.666 -2.723 8.045 1.00 0.00 C ATOM 652 OE1 GLU A 42 -13.485 -3.055 8.280 1.00 0.00 O ATOM 653 OE2 GLU A 42 -15.641 -3.154 8.697 1.00 0.00 O ATOM 0 H GLU A 42 -15.878 0.511 5.128 1.00 0.00 H new ATOM 0 HA GLU A 42 -15.213 1.085 7.955 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.349 -0.492 6.192 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.506 -0.518 7.937 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -15.984 -1.469 6.916 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.738 -2.245 5.959 1.00 0.00 H new ATOM 660 N LEU A 43 -13.896 2.100 5.139 1.00 0.00 N ATOM 661 CA LEU A 43 -13.089 3.164 4.551 1.00 0.00 C ATOM 662 C LEU A 43 -13.987 4.241 3.960 1.00 0.00 C ATOM 663 O LEU A 43 -13.672 4.842 2.934 1.00 0.00 O ATOM 664 CB LEU A 43 -12.154 2.598 3.480 1.00 0.00 C ATOM 665 CG LEU A 43 -10.734 2.296 3.960 1.00 0.00 C ATOM 666 CD1 LEU A 43 -9.871 1.815 2.807 1.00 0.00 C ATOM 667 CD2 LEU A 43 -10.120 3.525 4.617 1.00 0.00 C ATOM 0 H LEU A 43 -14.356 1.493 4.460 1.00 0.00 H new ATOM 0 HA LEU A 43 -12.480 3.612 5.336 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -12.591 1.681 3.085 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -12.100 3.307 2.654 1.00 0.00 H new ATOM 0 HG LEU A 43 -10.784 1.500 4.703 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -8.864 1.605 3.169 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -10.301 0.907 2.385 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -9.827 2.587 2.039 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.110 3.292 4.953 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.084 4.343 3.897 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.727 3.822 5.472 1.00 0.00 H new ATOM 679 N ALA A 44 -15.111 4.472 4.625 1.00 0.00 N ATOM 680 CA ALA A 44 -16.072 5.469 4.186 1.00 0.00 C ATOM 681 C ALA A 44 -15.594 6.870 4.538 1.00 0.00 C ATOM 682 O ALA A 44 -15.917 7.840 3.852 1.00 0.00 O ATOM 683 CB ALA A 44 -17.428 5.186 4.810 1.00 0.00 C ATOM 0 H ALA A 44 -15.379 3.978 5.476 1.00 0.00 H new ATOM 0 HA ALA A 44 -16.167 5.414 3.102 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -18.145 5.937 4.478 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -17.770 4.197 4.505 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -17.343 5.221 5.896 1.00 0.00 H new ATOM 689 N ALA A 45 -14.811 6.967 5.609 1.00 0.00 N ATOM 690 CA ALA A 45 -14.274 8.247 6.051 1.00 0.00 C ATOM 691 C ALA A 45 -13.531 8.943 4.914 1.00 0.00 C ATOM 692 O ALA A 45 -13.443 10.169 4.873 1.00 0.00 O ATOM 693 CB ALA A 45 -13.354 8.041 7.245 1.00 0.00 C ATOM 0 H ALA A 45 -14.535 6.173 6.186 1.00 0.00 H new ATOM 0 HA ALA A 45 -15.103 8.887 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -12.957 9.003 7.569 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -13.914 7.586 8.062 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -12.530 7.386 6.961 1.00 0.00 H new ATOM 699 N PHE A 46 -13.003 8.144 3.990 1.00 0.00 N ATOM 700 CA PHE A 46 -12.272 8.674 2.846 1.00 0.00 C ATOM 701 C PHE A 46 -13.230 9.013 1.707 1.00 0.00 C ATOM 702 O PHE A 46 -12.957 9.899 0.896 1.00 0.00 O ATOM 703 CB PHE A 46 -11.234 7.657 2.363 1.00 0.00 C ATOM 704 CG PHE A 46 -9.983 7.628 3.194 1.00 0.00 C ATOM 705 CD1 PHE A 46 -10.051 7.615 4.578 1.00 0.00 C ATOM 706 CD2 PHE A 46 -8.736 7.613 2.589 1.00 0.00 C ATOM 707 CE1 PHE A 46 -8.900 7.586 5.343 1.00 0.00 C ATOM 708 CE2 PHE A 46 -7.582 7.584 3.347 1.00 0.00 C ATOM 709 CZ PHE A 46 -7.663 7.571 4.726 1.00 0.00 C ATOM 0 H PHE A 46 -13.069 7.126 4.013 1.00 0.00 H new ATOM 0 HA PHE A 46 -11.762 9.585 3.159 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -11.684 6.664 2.365 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -10.968 7.885 1.331 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -11.015 7.628 5.065 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -8.666 7.624 1.511 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -8.967 7.575 6.421 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.617 7.571 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 46 -6.762 7.549 5.321 1.00 0.00 H new ATOM 719 N THR A 47 -14.350 8.299 1.653 1.00 0.00 N ATOM 720 CA THR A 47 -15.349 8.517 0.614 1.00 0.00 C ATOM 721 C THR A 47 -16.286 9.664 0.981 1.00 0.00 C ATOM 722 O THR A 47 -16.756 10.397 0.111 1.00 0.00 O ATOM 723 CB THR A 47 -16.153 7.238 0.381 1.00 0.00 C ATOM 724 OG1 THR A 47 -17.003 6.973 1.483 1.00 0.00 O ATOM 725 CG2 THR A 47 -15.284 6.018 0.166 1.00 0.00 C ATOM 0 H THR A 47 -14.588 7.563 2.318 1.00 0.00 H new ATOM 0 HA THR A 47 -14.827 8.786 -0.305 1.00 0.00 H new ATOM 0 HB THR A 47 -16.729 7.418 -0.527 1.00 0.00 H new ATOM 0 HG1 THR A 47 -16.618 7.365 2.295 1.00 0.00 H new ATOM 0 HG21 THR A 47 -15.916 5.145 0.007 1.00 0.00 H new ATOM 0 HG22 THR A 47 -14.651 6.172 -0.708 1.00 0.00 H new ATOM 0 HG23 THR A 47 -14.658 5.858 1.044 1.00 0.00 H new ATOM 841 N VAL A 55 -10.060 10.499 -6.404 1.00 0.00 N ATOM 842 CA VAL A 55 -9.573 9.637 -5.333 1.00 0.00 C ATOM 843 C VAL A 55 -10.051 8.204 -5.524 1.00 0.00 C ATOM 844 O VAL A 55 -9.247 7.288 -5.702 1.00 0.00 O ATOM 845 CB VAL A 55 -10.032 10.143 -3.950 1.00 0.00 C ATOM 846 CG1 VAL A 55 -9.473 9.266 -2.839 1.00 0.00 C ATOM 847 CG2 VAL A 55 -9.620 11.594 -3.749 1.00 0.00 C ATOM 0 HA VAL A 55 -8.484 9.662 -5.375 1.00 0.00 H new ATOM 0 HB VAL A 55 -11.120 10.086 -3.910 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.810 9.643 -1.873 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.824 8.243 -2.972 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -8.384 9.284 -2.875 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -9.952 11.934 -2.768 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -8.535 11.676 -3.813 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -10.077 12.212 -4.521 1.00 0.00 H new ATOM 857 N LEU A 56 -11.365 8.015 -5.486 1.00 0.00 N ATOM 858 CA LEU A 56 -11.954 6.707 -5.651 1.00 0.00 C ATOM 859 C LEU A 56 -11.727 6.190 -7.065 1.00 0.00 C ATOM 860 O LEU A 56 -11.240 5.080 -7.264 1.00 0.00 O ATOM 861 CB LEU A 56 -13.447 6.805 -5.364 1.00 0.00 C ATOM 862 CG LEU A 56 -14.206 5.496 -5.457 1.00 0.00 C ATOM 863 CD1 LEU A 56 -15.556 5.627 -4.781 1.00 0.00 C ATOM 864 CD2 LEU A 56 -14.371 5.078 -6.910 1.00 0.00 C ATOM 0 H LEU A 56 -12.042 8.764 -5.340 1.00 0.00 H new ATOM 0 HA LEU A 56 -11.486 6.009 -4.958 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -13.583 7.216 -4.364 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -13.890 7.515 -6.063 1.00 0.00 H new ATOM 0 HG LEU A 56 -13.635 4.723 -4.944 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -16.093 4.681 -4.854 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -15.414 5.884 -3.731 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -16.134 6.411 -5.271 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -14.918 4.136 -6.958 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -14.924 5.847 -7.449 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -13.389 4.951 -7.366 1.00 0.00 H new ATOM 876 N ASP A 57 -12.085 7.009 -8.042 1.00 0.00 N ATOM 877 CA ASP A 57 -11.925 6.645 -9.446 1.00 0.00 C ATOM 878 C ASP A 57 -10.477 6.273 -9.754 1.00 0.00 C ATOM 879 O ASP A 57 -10.209 5.499 -10.674 1.00 0.00 O ATOM 880 CB ASP A 57 -12.371 7.799 -10.345 1.00 0.00 C ATOM 881 CG ASP A 57 -13.797 7.633 -10.831 1.00 0.00 C ATOM 882 OD1 ASP A 57 -14.727 7.895 -10.040 1.00 0.00 O ATOM 883 OD2 ASP A 57 -13.983 7.240 -12.002 1.00 0.00 O ATOM 0 H ASP A 57 -12.490 7.933 -7.890 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.551 5.775 -9.643 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -12.283 8.738 -9.798 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -11.703 7.867 -11.203 1.00 0.00 H new ATOM 888 N ARG A 58 -9.547 6.826 -8.982 1.00 0.00 N ATOM 889 CA ARG A 58 -8.128 6.547 -9.178 1.00 0.00 C ATOM 890 C ARG A 58 -7.843 5.056 -9.043 1.00 0.00 C ATOM 891 O ARG A 58 -7.238 4.448 -9.927 1.00 0.00 O ATOM 892 CB ARG A 58 -7.283 7.337 -8.174 1.00 0.00 C ATOM 893 CG ARG A 58 -6.404 8.395 -8.821 1.00 0.00 C ATOM 894 CD ARG A 58 -5.594 9.160 -7.786 1.00 0.00 C ATOM 895 NE ARG A 58 -4.371 9.721 -8.354 1.00 0.00 N ATOM 896 CZ ARG A 58 -3.712 10.753 -7.829 1.00 0.00 C ATOM 897 NH1 ARG A 58 -4.148 11.334 -6.718 1.00 0.00 N ATOM 898 NH2 ARG A 58 -2.611 11.203 -8.415 1.00 0.00 N ATOM 0 H ARG A 58 -9.749 7.469 -8.216 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.860 6.859 -10.187 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -7.944 7.817 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.653 6.644 -7.617 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -5.729 7.922 -9.534 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.026 9.091 -9.384 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -6.203 9.963 -7.371 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.339 8.495 -6.961 1.00 0.00 H new ATOM 0 HE ARG A 58 -3.999 9.297 -9.204 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -4.993 10.991 -6.261 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -3.638 12.124 -6.322 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -2.269 10.759 -9.267 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -2.106 11.993 -8.014 1.00 0.00 H new ATOM 911 N MET A 59 -8.277 4.468 -7.931 1.00 0.00 N ATOM 912 CA MET A 59 -8.060 3.043 -7.690 1.00 0.00 C ATOM 913 C MET A 59 -8.615 2.207 -8.831 1.00 0.00 C ATOM 914 O MET A 59 -7.913 1.378 -9.406 1.00 0.00 O ATOM 915 CB MET A 59 -8.699 2.619 -6.359 1.00 0.00 C ATOM 916 CG MET A 59 -10.175 2.231 -6.436 1.00 0.00 C ATOM 917 SD MET A 59 -10.822 1.584 -4.880 1.00 0.00 S ATOM 918 CE MET A 59 -9.821 2.478 -3.702 1.00 0.00 C ATOM 0 H MET A 59 -8.778 4.952 -7.186 1.00 0.00 H new ATOM 0 HA MET A 59 -6.985 2.871 -7.633 1.00 0.00 H new ATOM 0 HB2 MET A 59 -8.139 1.774 -5.959 1.00 0.00 H new ATOM 0 HB3 MET A 59 -8.592 3.437 -5.647 1.00 0.00 H new ATOM 0 HG2 MET A 59 -10.759 3.103 -6.730 1.00 0.00 H new ATOM 0 HG3 MET A 59 -10.307 1.482 -7.217 1.00 0.00 H new ATOM 0 HE1 MET A 59 -9.643 1.853 -2.827 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.867 2.740 -4.160 1.00 0.00 H new ATOM 0 HE3 MET A 59 -10.340 3.387 -3.399 1.00 0.00 H new ATOM 928 N MET A 60 -9.883 2.430 -9.141 1.00 0.00 N ATOM 929 CA MET A 60 -10.559 1.695 -10.204 1.00 0.00 C ATOM 930 C MET A 60 -9.802 1.797 -11.523 1.00 0.00 C ATOM 931 O MET A 60 -9.725 0.830 -12.281 1.00 0.00 O ATOM 932 CB MET A 60 -11.987 2.209 -10.363 1.00 0.00 C ATOM 933 CG MET A 60 -12.886 1.827 -9.199 1.00 0.00 C ATOM 934 SD MET A 60 -14.042 0.508 -9.619 1.00 0.00 S ATOM 935 CE MET A 60 -12.957 -0.615 -10.496 1.00 0.00 C ATOM 0 H MET A 60 -10.470 3.118 -8.669 1.00 0.00 H new ATOM 0 HA MET A 60 -10.587 0.642 -9.925 1.00 0.00 H new ATOM 0 HB2 MET A 60 -11.968 3.295 -10.460 1.00 0.00 H new ATOM 0 HB3 MET A 60 -12.409 1.814 -11.287 1.00 0.00 H new ATOM 0 HG2 MET A 60 -12.270 1.511 -8.357 1.00 0.00 H new ATOM 0 HG3 MET A 60 -13.445 2.704 -8.873 1.00 0.00 H new ATOM 0 HE1 MET A 60 -13.496 -1.533 -10.730 1.00 0.00 H new ATOM 0 HE2 MET A 60 -12.619 -0.147 -11.420 1.00 0.00 H new ATOM 0 HE3 MET A 60 -12.095 -0.850 -9.872 1.00 0.00 H new ATOM 1083 N GLN A 70 -9.699 -11.315 -11.216 1.00 0.00 N ATOM 1084 CA GLN A 70 -10.038 -10.795 -9.896 1.00 0.00 C ATOM 1085 C GLN A 70 -9.069 -9.700 -9.463 1.00 0.00 C ATOM 1086 O GLN A 70 -8.162 -9.330 -10.210 1.00 0.00 O ATOM 1087 CB GLN A 70 -10.037 -11.932 -8.871 1.00 0.00 C ATOM 1088 CG GLN A 70 -11.389 -12.605 -8.707 1.00 0.00 C ATOM 1089 CD GLN A 70 -12.338 -11.777 -7.869 1.00 0.00 C ATOM 1090 OE1 GLN A 70 -12.824 -10.681 -8.439 1.00 0.00 O flip ATOM 1091 NE2 GLN A 70 -12.631 -12.116 -6.722 1.00 0.00 N flip ATOM 0 HA GLN A 70 -11.035 -10.358 -9.952 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -9.303 -12.679 -9.171 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -9.717 -11.540 -7.906 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -11.829 -12.777 -9.689 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -11.253 -13.582 -8.242 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -12.233 -12.967 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -13.272 -11.546 -6.170 1.00 0.00 H new ATOM 1100 N LEU A 71 -9.262 -9.188 -8.246 1.00 0.00 N ATOM 1101 CA LEU A 71 -8.400 -8.144 -7.713 1.00 0.00 C ATOM 1102 C LEU A 71 -6.977 -8.699 -7.544 1.00 0.00 C ATOM 1103 O LEU A 71 -6.471 -9.355 -8.454 1.00 0.00 O ATOM 1104 CB LEU A 71 -8.985 -7.608 -6.391 1.00 0.00 C ATOM 1105 CG LEU A 71 -9.682 -6.240 -6.454 1.00 0.00 C ATOM 1106 CD1 LEU A 71 -8.728 -5.137 -6.021 1.00 0.00 C ATOM 1107 CD2 LEU A 71 -10.244 -5.963 -7.843 1.00 0.00 C ATOM 0 H LEU A 71 -10.008 -9.482 -7.616 1.00 0.00 H new ATOM 0 HA LEU A 71 -8.347 -7.303 -8.404 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -9.701 -8.338 -6.014 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.178 -7.546 -5.661 1.00 0.00 H new ATOM 0 HG LEU A 71 -10.523 -6.260 -5.761 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.237 -4.175 -6.071 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -8.400 -5.321 -4.998 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -7.862 -5.124 -6.683 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -10.730 -4.987 -7.851 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -9.433 -5.971 -8.572 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -10.971 -6.733 -8.101 1.00 0.00 H new ATOM 1119 N ASP A 72 -6.325 -8.462 -6.402 1.00 0.00 N ATOM 1120 CA ASP A 72 -4.973 -8.977 -6.193 1.00 0.00 C ATOM 1121 C ASP A 72 -4.389 -8.492 -4.872 1.00 0.00 C ATOM 1122 O ASP A 72 -5.095 -7.925 -4.039 1.00 0.00 O ATOM 1123 CB ASP A 72 -4.053 -8.562 -7.345 1.00 0.00 C ATOM 1124 CG ASP A 72 -3.126 -9.680 -7.776 1.00 0.00 C ATOM 1125 OD1 ASP A 72 -3.498 -10.860 -7.603 1.00 0.00 O ATOM 1126 OD2 ASP A 72 -2.028 -9.377 -8.289 1.00 0.00 O ATOM 0 H ASP A 72 -6.705 -7.926 -5.622 1.00 0.00 H new ATOM 0 HA ASP A 72 -5.041 -10.064 -6.161 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.659 -8.248 -8.195 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.460 -7.700 -7.040 1.00 0.00 H new ATOM 1131 N PHE A 73 -3.093 -8.725 -4.690 1.00 0.00 N ATOM 1132 CA PHE A 73 -2.409 -8.322 -3.470 1.00 0.00 C ATOM 1133 C PHE A 73 -2.192 -6.812 -3.424 1.00 0.00 C ATOM 1134 O PHE A 73 -2.672 -6.144 -2.506 1.00 0.00 O ATOM 1135 CB PHE A 73 -1.078 -9.059 -3.330 1.00 0.00 C ATOM 1136 CG PHE A 73 -0.061 -8.690 -4.370 1.00 0.00 C ATOM 1137 CD1 PHE A 73 -0.104 -9.253 -5.636 1.00 0.00 C ATOM 1138 CD2 PHE A 73 0.938 -7.774 -4.081 1.00 0.00 C ATOM 1139 CE1 PHE A 73 0.830 -8.910 -6.595 1.00 0.00 C ATOM 1140 CE2 PHE A 73 1.876 -7.427 -5.037 1.00 0.00 C ATOM 1141 CZ PHE A 73 1.822 -7.996 -6.295 1.00 0.00 C ATOM 0 H PHE A 73 -2.496 -9.191 -5.373 1.00 0.00 H new ATOM 0 HA PHE A 73 -3.047 -8.592 -2.629 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -0.663 -8.854 -2.343 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -1.262 -10.132 -3.382 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -0.877 -9.968 -5.876 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.985 -7.326 -3.099 1.00 0.00 H new ATOM 0 HE1 PHE A 73 0.785 -9.356 -7.578 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.650 -6.712 -4.800 1.00 0.00 H new ATOM 0 HZ PHE A 73 2.554 -7.727 -7.042 1.00 0.00 H new ATOM 1151 N GLN A 74 -1.486 -6.261 -4.412 1.00 0.00 N ATOM 1152 CA GLN A 74 -1.256 -4.826 -4.432 1.00 0.00 C ATOM 1153 C GLN A 74 -2.476 -4.109 -4.971 1.00 0.00 C ATOM 1154 O GLN A 74 -2.711 -2.957 -4.638 1.00 0.00 O ATOM 1155 CB GLN A 74 -0.022 -4.439 -5.243 1.00 0.00 C ATOM 1156 CG GLN A 74 0.668 -3.191 -4.702 1.00 0.00 C ATOM 1157 CD GLN A 74 0.463 -1.963 -5.577 1.00 0.00 C ATOM 1158 OE1 GLN A 74 -0.163 -0.918 -5.026 1.00 0.00 O flip ATOM 1159 NE2 GLN A 74 0.863 -1.951 -6.741 1.00 0.00 N flip ATOM 0 H GLN A 74 -1.074 -6.777 -5.190 1.00 0.00 H new ATOM 0 HA GLN A 74 -1.073 -4.519 -3.402 1.00 0.00 H new ATOM 0 HB2 GLN A 74 0.684 -5.269 -5.242 1.00 0.00 H new ATOM 0 HB3 GLN A 74 -0.312 -4.269 -6.280 1.00 0.00 H new ATOM 0 HG2 GLN A 74 0.292 -2.982 -3.700 1.00 0.00 H new ATOM 0 HG3 GLN A 74 1.736 -3.387 -4.607 1.00 0.00 H new ATOM 0 HE21 GLN A 74 1.337 -2.768 -7.126 1.00 0.00 H new ATOM 0 HE22 GLN A 74 0.721 -1.124 -7.321 1.00 0.00 H new ATOM 1168 N GLU A 75 -3.274 -4.803 -5.786 1.00 0.00 N ATOM 1169 CA GLU A 75 -4.489 -4.210 -6.326 1.00 0.00 C ATOM 1170 C GLU A 75 -5.230 -3.480 -5.214 1.00 0.00 C ATOM 1171 O GLU A 75 -5.858 -2.447 -5.435 1.00 0.00 O ATOM 1172 CB GLU A 75 -5.378 -5.293 -6.934 1.00 0.00 C ATOM 1173 CG GLU A 75 -5.164 -5.496 -8.424 1.00 0.00 C ATOM 1174 CD GLU A 75 -3.712 -5.359 -8.845 1.00 0.00 C ATOM 1175 OE1 GLU A 75 -2.831 -5.851 -8.109 1.00 0.00 O ATOM 1176 OE2 GLU A 75 -3.457 -4.757 -9.910 1.00 0.00 O ATOM 0 H GLU A 75 -3.100 -5.764 -6.081 1.00 0.00 H new ATOM 0 HA GLU A 75 -4.228 -3.500 -7.110 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -5.192 -6.235 -6.418 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -6.422 -5.034 -6.758 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -5.525 -6.486 -8.705 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -5.764 -4.770 -8.973 1.00 0.00 H new ATOM 1183 N PHE A 76 -5.106 -4.024 -4.008 1.00 0.00 N ATOM 1184 CA PHE A 76 -5.711 -3.437 -2.828 1.00 0.00 C ATOM 1185 C PHE A 76 -4.846 -2.290 -2.329 1.00 0.00 C ATOM 1186 O PHE A 76 -5.318 -1.168 -2.169 1.00 0.00 O ATOM 1187 CB PHE A 76 -5.856 -4.492 -1.738 1.00 0.00 C ATOM 1188 CG PHE A 76 -7.143 -4.386 -0.972 1.00 0.00 C ATOM 1189 CD1 PHE A 76 -7.255 -3.515 0.098 1.00 0.00 C ATOM 1190 CD2 PHE A 76 -8.238 -5.160 -1.322 1.00 0.00 C ATOM 1191 CE1 PHE A 76 -8.437 -3.417 0.808 1.00 0.00 C ATOM 1192 CE2 PHE A 76 -9.422 -5.066 -0.616 1.00 0.00 C ATOM 1193 CZ PHE A 76 -9.522 -4.194 0.450 1.00 0.00 C ATOM 0 H PHE A 76 -4.584 -4.881 -3.826 1.00 0.00 H new ATOM 0 HA PHE A 76 -6.700 -3.056 -3.083 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -5.791 -5.482 -2.190 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -5.020 -4.404 -1.044 1.00 0.00 H new ATOM 0 HD1 PHE A 76 -6.410 -2.905 0.381 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -8.165 -5.844 -2.155 1.00 0.00 H new ATOM 0 HE1 PHE A 76 -8.512 -2.734 1.641 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -10.269 -5.674 -0.898 1.00 0.00 H new ATOM 0 HZ PHE A 76 -10.447 -4.119 1.003 1.00 0.00 H new ATOM 1203 N LEU A 77 -3.566 -2.578 -2.101 1.00 0.00 N ATOM 1204 CA LEU A 77 -2.629 -1.563 -1.641 1.00 0.00 C ATOM 1205 C LEU A 77 -2.602 -0.396 -2.622 1.00 0.00 C ATOM 1206 O LEU A 77 -2.452 0.757 -2.229 1.00 0.00 O ATOM 1207 CB LEU A 77 -1.233 -2.163 -1.470 1.00 0.00 C ATOM 1208 CG LEU A 77 -0.916 -2.632 -0.049 1.00 0.00 C ATOM 1209 CD1 LEU A 77 0.315 -3.525 -0.032 1.00 0.00 C ATOM 1210 CD2 LEU A 77 -0.733 -1.436 0.869 1.00 0.00 C ATOM 0 H LEU A 77 -3.158 -3.504 -2.228 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.958 -1.192 -0.670 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -1.128 -3.008 -2.150 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -0.493 -1.420 -1.768 1.00 0.00 H new ATOM 0 HG LEU A 77 -1.757 -3.222 0.316 1.00 0.00 H new ATOM 0 HD11 LEU A 77 0.519 -3.845 0.990 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.138 -4.400 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.172 -2.971 -0.416 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -0.508 -1.783 1.878 1.00 0.00 H new ATOM 0 HD22 LEU A 77 0.089 -0.820 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -1.649 -0.846 0.884 1.00 0.00 H new ATOM 1222 N ASN A 78 -2.783 -0.711 -3.900 1.00 0.00 N ATOM 1223 CA ASN A 78 -2.819 0.301 -4.944 1.00 0.00 C ATOM 1224 C ASN A 78 -4.154 1.025 -4.874 1.00 0.00 C ATOM 1225 O ASN A 78 -4.225 2.248 -4.995 1.00 0.00 O ATOM 1226 CB ASN A 78 -2.622 -0.346 -6.328 1.00 0.00 C ATOM 1227 CG ASN A 78 -3.596 0.166 -7.378 1.00 0.00 C ATOM 1228 OD1 ASN A 78 -3.764 1.373 -7.548 1.00 0.00 O ATOM 1229 ND2 ASN A 78 -4.240 -0.754 -8.085 1.00 0.00 N ATOM 0 H ASN A 78 -2.908 -1.666 -4.237 1.00 0.00 H new ATOM 0 HA ASN A 78 -2.009 1.015 -4.794 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -1.603 -0.159 -6.667 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -2.734 -1.426 -6.235 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -4.906 -0.471 -8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.069 -1.744 -7.910 1.00 0.00 H new ATOM 1236 N LEU A 79 -5.213 0.248 -4.666 1.00 0.00 N ATOM 1237 CA LEU A 79 -6.550 0.800 -4.565 1.00 0.00 C ATOM 1238 C LEU A 79 -6.665 1.674 -3.318 1.00 0.00 C ATOM 1239 O LEU A 79 -6.988 2.855 -3.412 1.00 0.00 O ATOM 1240 CB LEU A 79 -7.595 -0.329 -4.531 1.00 0.00 C ATOM 1241 CG LEU A 79 -8.260 -0.692 -5.877 1.00 0.00 C ATOM 1242 CD1 LEU A 79 -7.292 -0.589 -7.042 1.00 0.00 C ATOM 1243 CD2 LEU A 79 -8.835 -2.101 -5.828 1.00 0.00 C ATOM 0 H LEU A 79 -5.166 -0.766 -4.565 1.00 0.00 H new ATOM 0 HA LEU A 79 -6.741 1.418 -5.442 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -7.117 -1.225 -4.134 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -8.379 -0.048 -3.828 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.061 0.030 -6.035 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -7.806 -0.854 -7.966 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.917 0.432 -7.115 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.457 -1.271 -6.883 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.299 -2.338 -6.785 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -8.035 -2.814 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.583 -2.161 -5.037 1.00 0.00 H new ATOM 1255 N ILE A 80 -6.384 1.087 -2.154 1.00 0.00 N ATOM 1256 CA ILE A 80 -6.442 1.816 -0.893 1.00 0.00 C ATOM 1257 C ILE A 80 -5.280 2.796 -0.776 1.00 0.00 C ATOM 1258 O ILE A 80 -5.469 3.949 -0.387 1.00 0.00 O ATOM 1259 CB ILE A 80 -6.460 0.876 0.332 1.00 0.00 C ATOM 1260 CG1 ILE A 80 -7.013 1.616 1.546 1.00 0.00 C ATOM 1261 CG2 ILE A 80 -5.076 0.344 0.643 1.00 0.00 C ATOM 1262 CD1 ILE A 80 -5.999 2.531 2.203 1.00 0.00 C ATOM 0 H ILE A 80 -6.114 0.108 -2.062 1.00 0.00 H new ATOM 0 HA ILE A 80 -7.381 2.370 -0.899 1.00 0.00 H new ATOM 0 HB ILE A 80 -7.102 0.028 0.095 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -7.879 2.204 1.241 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.363 0.888 2.278 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -5.126 -0.314 1.511 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -4.699 -0.214 -0.214 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -4.406 1.177 0.857 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -6.457 3.026 3.059 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -5.143 1.945 2.538 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -5.667 3.281 1.485 1.00 0.00 H new ATOM 1274 N GLY A 81 -4.079 2.340 -1.129 1.00 0.00 N ATOM 1275 CA GLY A 81 -2.920 3.212 -1.064 1.00 0.00 C ATOM 1276 C GLY A 81 -3.175 4.496 -1.814 1.00 0.00 C ATOM 1277 O GLY A 81 -2.982 5.587 -1.279 1.00 0.00 O ATOM 0 H GLY A 81 -3.890 1.392 -1.455 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -2.684 3.434 -0.023 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.053 2.704 -1.487 1.00 0.00 H new ATOM 1281 N GLY A 82 -3.644 4.364 -3.051 1.00 0.00 N ATOM 1282 CA GLY A 82 -3.958 5.539 -3.847 1.00 0.00 C ATOM 1283 C GLY A 82 -4.867 6.497 -3.094 1.00 0.00 C ATOM 1284 O GLY A 82 -4.679 7.712 -3.151 1.00 0.00 O ATOM 0 H GLY A 82 -3.812 3.471 -3.515 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -3.036 6.051 -4.121 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -4.440 5.232 -4.775 1.00 0.00 H new ATOM 1288 N LEU A 83 -5.845 5.953 -2.368 1.00 0.00 N ATOM 1289 CA LEU A 83 -6.756 6.785 -1.585 1.00 0.00 C ATOM 1290 C LEU A 83 -5.979 7.609 -0.569 1.00 0.00 C ATOM 1291 O LEU A 83 -6.204 8.810 -0.425 1.00 0.00 O ATOM 1292 CB LEU A 83 -7.792 5.924 -0.861 1.00 0.00 C ATOM 1293 CG LEU A 83 -8.317 4.741 -1.664 1.00 0.00 C ATOM 1294 CD1 LEU A 83 -9.478 4.077 -0.945 1.00 0.00 C ATOM 1295 CD2 LEU A 83 -8.729 5.189 -3.058 1.00 0.00 C ATOM 0 H LEU A 83 -6.025 4.951 -2.307 1.00 0.00 H new ATOM 0 HA LEU A 83 -7.274 7.455 -2.271 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -7.350 5.550 0.063 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -8.634 6.555 -0.579 1.00 0.00 H new ATOM 0 HG LEU A 83 -7.517 4.007 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -9.838 3.235 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -9.146 3.721 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -10.284 4.798 -0.813 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -9.102 4.333 -3.620 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -9.513 5.942 -2.981 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -7.867 5.614 -3.573 1.00 0.00 H new ATOM 1307 N ALA A 84 -5.057 6.955 0.136 1.00 0.00 N ATOM 1308 CA ALA A 84 -4.244 7.638 1.138 1.00 0.00 C ATOM 1309 C ALA A 84 -3.518 8.829 0.540 1.00 0.00 C ATOM 1310 O ALA A 84 -3.297 9.842 1.205 1.00 0.00 O ATOM 1311 CB ALA A 84 -3.219 6.689 1.722 1.00 0.00 C ATOM 0 H ALA A 84 -4.856 5.960 0.032 1.00 0.00 H new ATOM 0 HA ALA A 84 -4.918 7.987 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 84 -2.621 7.213 2.467 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -3.728 5.848 2.192 1.00 0.00 H new ATOM 0 HB3 ALA A 84 -2.569 6.322 0.928 1.00 0.00 H new ATOM 1317 N VAL A 85 -3.143 8.689 -0.718 1.00 0.00 N ATOM 1318 CA VAL A 85 -2.427 9.739 -1.427 1.00 0.00 C ATOM 1319 C VAL A 85 -3.382 10.786 -1.972 1.00 0.00 C ATOM 1320 O VAL A 85 -2.972 11.888 -2.335 1.00 0.00 O ATOM 1321 CB VAL A 85 -1.545 9.194 -2.580 1.00 0.00 C ATOM 1322 CG1 VAL A 85 -0.098 9.564 -2.328 1.00 0.00 C ATOM 1323 CG2 VAL A 85 -1.674 7.684 -2.747 1.00 0.00 C ATOM 0 H VAL A 85 -3.323 7.854 -1.275 1.00 0.00 H new ATOM 0 HA VAL A 85 -1.767 10.198 -0.691 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.894 9.651 -3.506 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.522 9.181 -3.139 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -0.003 10.649 -2.280 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.230 9.129 -1.384 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.037 7.353 -3.567 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.367 7.189 -1.826 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -2.711 7.430 -2.968 1.00 0.00 H new ATOM 1333 N ALA A 86 -4.651 10.429 -2.041 1.00 0.00 N ATOM 1334 CA ALA A 86 -5.666 11.323 -2.557 1.00 0.00 C ATOM 1335 C ALA A 86 -6.699 11.682 -1.496 1.00 0.00 C ATOM 1336 O ALA A 86 -7.750 12.240 -1.812 1.00 0.00 O ATOM 1337 CB ALA A 86 -6.336 10.662 -3.735 1.00 0.00 C ATOM 0 H ALA A 86 -5.003 9.519 -1.743 1.00 0.00 H new ATOM 0 HA ALA A 86 -5.188 12.253 -2.865 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -7.104 11.324 -4.135 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -5.595 10.457 -4.508 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -6.794 9.726 -3.415 1.00 0.00 H new ATOM 1343 N CYS A 87 -6.413 11.354 -0.241 1.00 0.00 N ATOM 1344 CA CYS A 87 -7.347 11.644 0.837 1.00 0.00 C ATOM 1345 C CYS A 87 -6.641 11.825 2.177 1.00 0.00 C ATOM 1346 O CYS A 87 -7.023 12.688 2.967 1.00 0.00 O ATOM 1347 CB CYS A 87 -8.388 10.530 0.946 1.00 0.00 C ATOM 1348 SG CYS A 87 -9.792 10.935 2.009 1.00 0.00 S ATOM 0 H CYS A 87 -5.552 10.892 0.052 1.00 0.00 H new ATOM 0 HA CYS A 87 -7.840 12.585 0.594 1.00 0.00 H new ATOM 0 HB2 CYS A 87 -8.758 10.294 -0.052 1.00 0.00 H new ATOM 0 HB3 CYS A 87 -7.904 9.631 1.328 1.00 0.00 H new ATOM 0 HG CYS A 87 -10.890 10.510 1.458 1.00 0.00 H new ATOM 1354 N HIS A 88 -5.624 11.009 2.449 1.00 0.00 N ATOM 1355 CA HIS A 88 -4.912 11.114 3.724 1.00 0.00 C ATOM 1356 C HIS A 88 -3.736 12.089 3.640 1.00 0.00 C ATOM 1357 O HIS A 88 -3.872 13.261 3.990 1.00 0.00 O ATOM 1358 CB HIS A 88 -4.441 9.738 4.204 1.00 0.00 C ATOM 1359 CG HIS A 88 -5.050 9.326 5.509 1.00 0.00 C ATOM 1360 ND1 HIS A 88 -4.541 8.309 6.292 1.00 0.00 N ATOM 1361 CD2 HIS A 88 -6.131 9.801 6.172 1.00 0.00 C ATOM 1362 CE1 HIS A 88 -5.283 8.178 7.378 1.00 0.00 C ATOM 1363 NE2 HIS A 88 -6.254 9.071 7.329 1.00 0.00 N ATOM 0 H HIS A 88 -5.279 10.283 1.821 1.00 0.00 H new ATOM 0 HA HIS A 88 -5.616 11.511 4.455 1.00 0.00 H new ATOM 0 HB2 HIS A 88 -4.684 8.993 3.446 1.00 0.00 H new ATOM 0 HB3 HIS A 88 -3.356 9.748 4.304 1.00 0.00 H new ATOM 0 HD2 HIS A 88 -6.777 10.605 5.851 1.00 0.00 H new ATOM 0 HE1 HIS A 88 -5.122 7.462 8.171 1.00 0.00 H new ATOM 0 HE2 HIS A 88 -6.978 9.198 8.036 1.00 0.00 H new ATOM 1372 N GLU A 89 -2.583 11.605 3.189 1.00 0.00 N ATOM 1373 CA GLU A 89 -1.397 12.450 3.083 1.00 0.00 C ATOM 1374 C GLU A 89 -0.715 12.270 1.733 1.00 0.00 C ATOM 1375 O GLU A 89 -1.143 11.456 0.916 1.00 0.00 O ATOM 1376 CB GLU A 89 -0.415 12.130 4.213 1.00 0.00 C ATOM 1377 CG GLU A 89 0.150 13.364 4.896 1.00 0.00 C ATOM 1378 CD GLU A 89 -0.151 13.400 6.382 1.00 0.00 C ATOM 1379 OE1 GLU A 89 -1.334 13.580 6.744 1.00 0.00 O ATOM 1380 OE2 GLU A 89 0.794 13.248 7.184 1.00 0.00 O ATOM 0 H GLU A 89 -2.444 10.639 2.893 1.00 0.00 H new ATOM 0 HA GLU A 89 -1.715 13.489 3.170 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -0.919 11.512 4.956 1.00 0.00 H new ATOM 0 HB3 GLU A 89 0.408 11.539 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.229 13.394 4.747 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -0.262 14.256 4.424 1.00 0.00 H new ATOM 1387 N SER A 90 0.346 13.036 1.504 1.00 0.00 N ATOM 1388 CA SER A 90 1.084 12.962 0.248 1.00 0.00 C ATOM 1389 C SER A 90 0.182 13.322 -0.927 1.00 0.00 C ATOM 1390 O SER A 90 -0.764 12.597 -1.238 1.00 0.00 O ATOM 1391 CB SER A 90 1.661 11.558 0.053 1.00 0.00 C ATOM 1392 OG SER A 90 2.587 11.240 1.077 1.00 0.00 O ATOM 0 H SER A 90 0.714 13.715 2.171 1.00 0.00 H new ATOM 0 HA SER A 90 1.904 13.679 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 90 0.853 10.827 0.049 1.00 0.00 H new ATOM 0 HB3 SER A 90 2.152 11.495 -0.918 1.00 0.00 H new ATOM 0 HG SER A 90 2.819 10.289 1.025 1.00 0.00 H new ATOM 1398 N PHE A 91 0.475 14.448 -1.572 1.00 0.00 N ATOM 1399 CA PHE A 91 -0.310 14.918 -2.715 1.00 0.00 C ATOM 1400 C PHE A 91 -1.636 15.532 -2.262 1.00 0.00 C ATOM 1401 O PHE A 91 -1.988 16.634 -2.680 1.00 0.00 O ATOM 1402 CB PHE A 91 -0.564 13.778 -3.708 1.00 0.00 C ATOM 1403 CG PHE A 91 0.048 14.014 -5.059 1.00 0.00 C ATOM 1404 CD1 PHE A 91 1.401 14.288 -5.181 1.00 0.00 C ATOM 1405 CD2 PHE A 91 -0.728 13.962 -6.205 1.00 0.00 C ATOM 1406 CE1 PHE A 91 1.969 14.506 -6.422 1.00 0.00 C ATOM 1407 CE2 PHE A 91 -0.166 14.179 -7.450 1.00 0.00 C ATOM 1408 CZ PHE A 91 1.184 14.452 -7.558 1.00 0.00 C ATOM 0 H PHE A 91 1.255 15.057 -1.322 1.00 0.00 H new ATOM 0 HA PHE A 91 0.270 15.693 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -0.166 12.851 -3.295 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -1.639 13.640 -3.824 1.00 0.00 H new ATOM 0 HD1 PHE A 91 2.019 14.332 -4.296 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -1.784 13.750 -6.126 1.00 0.00 H new ATOM 0 HE1 PHE A 91 3.025 14.718 -6.504 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.782 14.135 -8.336 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.625 14.623 -8.529 1.00 0.00 H new ATOM 1418 N VAL A 92 -2.366 14.814 -1.408 1.00 0.00 N ATOM 1419 CA VAL A 92 -3.652 15.288 -0.898 1.00 0.00 C ATOM 1420 C VAL A 92 -3.592 16.759 -0.508 1.00 0.00 C ATOM 1421 O VAL A 92 -4.401 17.570 -0.960 1.00 0.00 O ATOM 1422 CB VAL A 92 -4.103 14.468 0.327 1.00 0.00 C ATOM 1423 CG1 VAL A 92 -5.502 14.877 0.761 1.00 0.00 C ATOM 1424 CG2 VAL A 92 -4.044 12.980 0.025 1.00 0.00 C ATOM 0 H VAL A 92 -2.087 13.899 -1.054 1.00 0.00 H new ATOM 0 HA VAL A 92 -4.373 15.162 -1.706 1.00 0.00 H new ATOM 0 HB VAL A 92 -3.419 14.675 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -5.802 14.287 1.627 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -5.507 15.935 1.024 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -6.202 14.703 -0.056 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -4.366 12.418 0.902 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -4.702 12.753 -0.814 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -3.022 12.701 -0.230 1.00 0.00 H new ATOM 1638 N THR B 4 -10.731 4.574 12.699 1.00 0.00 N ATOM 1639 CA THR B 4 -11.101 3.225 12.277 1.00 0.00 C ATOM 1640 C THR B 4 -9.870 2.362 12.054 1.00 0.00 C ATOM 1641 O THR B 4 -8.786 2.854 11.748 1.00 0.00 O ATOM 1642 CB THR B 4 -11.961 3.268 11.006 1.00 0.00 C ATOM 1643 OG1 THR B 4 -11.909 2.028 10.321 1.00 0.00 O ATOM 1644 CG2 THR B 4 -11.555 4.348 10.025 1.00 0.00 C ATOM 0 HA THR B 4 -11.689 2.777 13.078 1.00 0.00 H new ATOM 0 HB THR B 4 -12.968 3.489 11.359 1.00 0.00 H new ATOM 0 HG1 THR B 4 -12.465 2.076 9.515 1.00 0.00 H new ATOM 0 HG21 THR B 4 -12.210 4.313 9.154 1.00 0.00 H new ATOM 0 HG22 THR B 4 -11.639 5.324 10.503 1.00 0.00 H new ATOM 0 HG23 THR B 4 -10.524 4.185 9.711 1.00 0.00 H new ATOM 1652 N GLU B 5 -10.062 1.062 12.222 1.00 0.00 N ATOM 1653 CA GLU B 5 -8.998 0.086 12.057 1.00 0.00 C ATOM 1654 C GLU B 5 -8.178 0.362 10.797 1.00 0.00 C ATOM 1655 O GLU B 5 -6.949 0.408 10.843 1.00 0.00 O ATOM 1656 CB GLU B 5 -9.617 -1.304 12.000 1.00 0.00 C ATOM 1657 CG GLU B 5 -8.861 -2.347 12.805 1.00 0.00 C ATOM 1658 CD GLU B 5 -9.399 -3.749 12.594 1.00 0.00 C ATOM 1659 OE1 GLU B 5 -10.023 -3.993 11.539 1.00 0.00 O ATOM 1660 OE2 GLU B 5 -9.197 -4.603 13.482 1.00 0.00 O ATOM 0 H GLU B 5 -10.962 0.655 12.477 1.00 0.00 H new ATOM 0 HA GLU B 5 -8.316 0.155 12.904 1.00 0.00 H new ATOM 0 HB2 GLU B 5 -10.642 -1.250 12.366 1.00 0.00 H new ATOM 0 HB3 GLU B 5 -9.666 -1.627 10.960 1.00 0.00 H new ATOM 0 HG2 GLU B 5 -7.807 -2.321 12.528 1.00 0.00 H new ATOM 0 HG3 GLU B 5 -8.919 -2.095 13.864 1.00 0.00 H new ATOM 1667 N THR B 6 -8.867 0.562 9.679 1.00 0.00 N ATOM 1668 CA THR B 6 -8.199 0.852 8.416 1.00 0.00 C ATOM 1669 C THR B 6 -7.462 2.183 8.506 1.00 0.00 C ATOM 1670 O THR B 6 -6.336 2.317 8.036 1.00 0.00 O ATOM 1671 CB THR B 6 -9.217 0.896 7.276 1.00 0.00 C ATOM 1672 OG1 THR B 6 -10.333 0.073 7.567 1.00 0.00 O ATOM 1673 CG2 THR B 6 -8.647 0.444 5.949 1.00 0.00 C ATOM 0 H THR B 6 -9.885 0.529 9.622 1.00 0.00 H new ATOM 0 HA THR B 6 -7.478 0.060 8.214 1.00 0.00 H new ATOM 0 HB THR B 6 -9.510 1.942 7.191 1.00 0.00 H new ATOM 0 HG1 THR B 6 -10.973 0.116 6.826 1.00 0.00 H new ATOM 0 HG21 THR B 6 -9.421 0.499 5.183 1.00 0.00 H new ATOM 0 HG22 THR B 6 -7.815 1.091 5.671 1.00 0.00 H new ATOM 0 HG23 THR B 6 -8.295 -0.584 6.035 1.00 0.00 H new ATOM 1681 N GLU B 7 -8.105 3.166 9.125 1.00 0.00 N ATOM 1682 CA GLU B 7 -7.509 4.490 9.276 1.00 0.00 C ATOM 1683 C GLU B 7 -6.108 4.386 9.873 1.00 0.00 C ATOM 1684 O GLU B 7 -5.232 5.195 9.567 1.00 0.00 O ATOM 1685 CB GLU B 7 -8.393 5.368 10.165 1.00 0.00 C ATOM 1686 CG GLU B 7 -9.201 6.397 9.391 1.00 0.00 C ATOM 1687 CD GLU B 7 -8.462 7.710 9.213 1.00 0.00 C ATOM 1688 OE1 GLU B 7 -7.404 7.887 9.853 1.00 0.00 O ATOM 1689 OE2 GLU B 7 -8.941 8.559 8.433 1.00 0.00 O ATOM 0 H GLU B 7 -9.037 3.073 9.530 1.00 0.00 H new ATOM 0 HA GLU B 7 -7.432 4.946 8.289 1.00 0.00 H new ATOM 0 HB2 GLU B 7 -9.075 4.731 10.728 1.00 0.00 H new ATOM 0 HB3 GLU B 7 -7.765 5.883 10.892 1.00 0.00 H new ATOM 0 HG2 GLU B 7 -9.454 5.992 8.411 1.00 0.00 H new ATOM 0 HG3 GLU B 7 -10.140 6.582 9.912 1.00 0.00 H new ATOM 1696 N ARG B 8 -5.902 3.378 10.711 1.00 0.00 N ATOM 1697 CA ARG B 8 -4.604 3.159 11.335 1.00 0.00 C ATOM 1698 C ARG B 8 -3.646 2.464 10.368 1.00 0.00 C ATOM 1699 O ARG B 8 -2.430 2.631 10.460 1.00 0.00 O ATOM 1700 CB ARG B 8 -4.761 2.325 12.610 1.00 0.00 C ATOM 1701 CG ARG B 8 -4.059 2.925 13.818 1.00 0.00 C ATOM 1702 CD ARG B 8 -2.591 2.530 13.865 1.00 0.00 C ATOM 1703 NE ARG B 8 -1.906 3.103 15.022 1.00 0.00 N ATOM 1704 CZ ARG B 8 -1.483 4.363 15.083 1.00 0.00 C ATOM 1705 NH1 ARG B 8 -1.673 5.185 14.059 1.00 0.00 N ATOM 1706 NH2 ARG B 8 -0.867 4.803 16.173 1.00 0.00 N ATOM 0 H ARG B 8 -6.617 2.700 10.974 1.00 0.00 H new ATOM 0 HA ARG B 8 -4.184 4.130 11.597 1.00 0.00 H new ATOM 0 HB2 ARG B 8 -5.822 2.215 12.834 1.00 0.00 H new ATOM 0 HB3 ARG B 8 -4.367 1.324 12.431 1.00 0.00 H new ATOM 0 HG2 ARG B 8 -4.143 4.011 13.786 1.00 0.00 H new ATOM 0 HG3 ARG B 8 -4.555 2.593 14.730 1.00 0.00 H new ATOM 0 HD2 ARG B 8 -2.509 1.444 13.897 1.00 0.00 H new ATOM 0 HD3 ARG B 8 -2.097 2.861 12.951 1.00 0.00 H new ATOM 0 HE ARG B 8 -1.743 2.502 15.830 1.00 0.00 H new ATOM 0 HH11 ARG B 8 -2.146 4.852 13.219 1.00 0.00 H new ATOM 0 HH12 ARG B 8 -1.346 6.150 14.112 1.00 0.00 H new ATOM 0 HH21 ARG B 8 -0.718 4.175 16.963 1.00 0.00 H new ATOM 0 HH22 ARG B 8 -0.542 5.769 16.221 1.00 0.00 H new ATOM 1719 N CYS B 9 -4.201 1.677 9.446 1.00 0.00 N ATOM 1720 CA CYS B 9 -3.390 0.952 8.470 1.00 0.00 C ATOM 1721 C CYS B 9 -2.837 1.888 7.400 1.00 0.00 C ATOM 1722 O CYS B 9 -1.686 1.757 6.981 1.00 0.00 O ATOM 1723 CB CYS B 9 -4.208 -0.179 7.824 1.00 0.00 C ATOM 1724 SG CYS B 9 -5.282 0.324 6.456 1.00 0.00 S ATOM 0 H CYS B 9 -5.206 1.526 9.355 1.00 0.00 H new ATOM 0 HA CYS B 9 -2.544 0.515 9.000 1.00 0.00 H new ATOM 0 HB2 CYS B 9 -3.519 -0.942 7.461 1.00 0.00 H new ATOM 0 HB3 CYS B 9 -4.823 -0.645 8.594 1.00 0.00 H new ATOM 0 HG CYS B 9 -5.967 1.372 6.805 1.00 0.00 H new ATOM 1730 N ILE B 10 -3.664 2.824 6.954 1.00 0.00 N ATOM 1731 CA ILE B 10 -3.264 3.771 5.928 1.00 0.00 C ATOM 1732 C ILE B 10 -2.176 4.719 6.422 1.00 0.00 C ATOM 1733 O ILE B 10 -1.116 4.832 5.816 1.00 0.00 O ATOM 1734 CB ILE B 10 -4.466 4.608 5.449 1.00 0.00 C ATOM 1735 CG1 ILE B 10 -5.617 3.699 5.023 1.00 0.00 C ATOM 1736 CG2 ILE B 10 -4.060 5.516 4.301 1.00 0.00 C ATOM 1737 CD1 ILE B 10 -6.818 3.776 5.929 1.00 0.00 C ATOM 0 H ILE B 10 -4.619 2.946 7.290 1.00 0.00 H new ATOM 0 HA ILE B 10 -2.870 3.181 5.100 1.00 0.00 H new ATOM 0 HB ILE B 10 -4.803 5.228 6.280 1.00 0.00 H new ATOM 0 HG12 ILE B 10 -5.920 3.962 4.010 1.00 0.00 H new ATOM 0 HG13 ILE B 10 -5.262 2.669 4.992 1.00 0.00 H new ATOM 0 HG21 ILE B 10 -4.922 6.099 3.976 1.00 0.00 H new ATOM 0 HG22 ILE B 10 -3.270 6.190 4.632 1.00 0.00 H new ATOM 0 HG23 ILE B 10 -3.697 4.911 3.470 1.00 0.00 H new ATOM 0 HD11 ILE B 10 -7.594 3.103 5.563 1.00 0.00 H new ATOM 0 HD12 ILE B 10 -6.531 3.483 6.939 1.00 0.00 H new ATOM 0 HD13 ILE B 10 -7.199 4.797 5.942 1.00 0.00 H new ATOM 1749 N GLU B 11 -2.459 5.417 7.514 1.00 0.00 N ATOM 1750 CA GLU B 11 -1.521 6.386 8.075 1.00 0.00 C ATOM 1751 C GLU B 11 -0.133 5.794 8.295 1.00 0.00 C ATOM 1752 O GLU B 11 0.862 6.519 8.288 1.00 0.00 O ATOM 1753 CB GLU B 11 -2.063 6.945 9.390 1.00 0.00 C ATOM 1754 CG GLU B 11 -2.394 8.425 9.317 1.00 0.00 C ATOM 1755 CD GLU B 11 -1.868 9.203 10.508 1.00 0.00 C ATOM 1756 OE1 GLU B 11 -0.671 9.560 10.500 1.00 0.00 O ATOM 1757 OE2 GLU B 11 -2.652 9.456 11.446 1.00 0.00 O ATOM 0 H GLU B 11 -3.333 5.331 8.032 1.00 0.00 H new ATOM 0 HA GLU B 11 -1.419 7.191 7.347 1.00 0.00 H new ATOM 0 HB2 GLU B 11 -2.959 6.392 9.671 1.00 0.00 H new ATOM 0 HB3 GLU B 11 -1.328 6.782 10.178 1.00 0.00 H new ATOM 0 HG2 GLU B 11 -1.974 8.842 8.402 1.00 0.00 H new ATOM 0 HG3 GLU B 11 -3.475 8.549 9.257 1.00 0.00 H new ATOM 1764 N SER B 12 -0.064 4.489 8.509 1.00 0.00 N ATOM 1765 CA SER B 12 1.216 3.837 8.752 1.00 0.00 C ATOM 1766 C SER B 12 2.075 3.750 7.486 1.00 0.00 C ATOM 1767 O SER B 12 3.214 4.210 7.478 1.00 0.00 O ATOM 1768 CB SER B 12 0.990 2.443 9.331 1.00 0.00 C ATOM 1769 OG SER B 12 0.027 2.472 10.371 1.00 0.00 O ATOM 0 H SER B 12 -0.870 3.864 8.520 1.00 0.00 H new ATOM 0 HA SER B 12 1.762 4.449 9.470 1.00 0.00 H new ATOM 0 HB2 SER B 12 0.658 1.768 8.542 1.00 0.00 H new ATOM 0 HB3 SER B 12 1.931 2.048 9.714 1.00 0.00 H new ATOM 0 HG SER B 12 -0.873 2.497 9.983 1.00 0.00 H new ATOM 1775 N LEU B 13 1.540 3.148 6.422 1.00 0.00 N ATOM 1776 CA LEU B 13 2.281 2.993 5.175 1.00 0.00 C ATOM 1777 C LEU B 13 2.603 4.333 4.507 1.00 0.00 C ATOM 1778 O LEU B 13 3.598 4.457 3.791 1.00 0.00 O ATOM 1779 CB LEU B 13 1.502 2.093 4.228 1.00 0.00 C ATOM 1780 CG LEU B 13 1.859 0.611 4.327 1.00 0.00 C ATOM 1781 CD1 LEU B 13 3.343 0.401 4.079 1.00 0.00 C ATOM 1782 CD2 LEU B 13 1.482 0.041 5.680 1.00 0.00 C ATOM 0 H LEU B 13 0.596 2.761 6.402 1.00 0.00 H new ATOM 0 HA LEU B 13 3.239 2.532 5.416 1.00 0.00 H new ATOM 0 HB2 LEU B 13 0.437 2.212 4.428 1.00 0.00 H new ATOM 0 HB3 LEU B 13 1.674 2.428 3.205 1.00 0.00 H new ATOM 0 HG LEU B 13 1.289 0.085 3.561 1.00 0.00 H new ATOM 0 HD11 LEU B 13 3.578 -0.661 4.154 1.00 0.00 H new ATOM 0 HD12 LEU B 13 3.600 0.760 3.082 1.00 0.00 H new ATOM 0 HD13 LEU B 13 3.918 0.953 4.823 1.00 0.00 H new ATOM 0 HD21 LEU B 13 1.749 -1.015 5.717 1.00 0.00 H new ATOM 0 HD22 LEU B 13 2.017 0.579 6.463 1.00 0.00 H new ATOM 0 HD23 LEU B 13 0.408 0.149 5.834 1.00 0.00 H new ATOM 1794 N ILE B 14 1.780 5.339 4.740 1.00 0.00 N ATOM 1795 CA ILE B 14 2.017 6.647 4.167 1.00 0.00 C ATOM 1796 C ILE B 14 3.229 7.286 4.789 1.00 0.00 C ATOM 1797 O ILE B 14 3.973 8.015 4.142 1.00 0.00 O ATOM 1798 CB ILE B 14 0.870 7.599 4.473 1.00 0.00 C ATOM 1799 CG1 ILE B 14 -0.465 6.989 4.120 1.00 0.00 C ATOM 1800 CG2 ILE B 14 1.073 8.909 3.758 1.00 0.00 C ATOM 1801 CD1 ILE B 14 -1.570 7.573 4.953 1.00 0.00 C ATOM 0 H ILE B 14 0.944 5.274 5.321 1.00 0.00 H new ATOM 0 HA ILE B 14 2.136 6.491 3.095 1.00 0.00 H new ATOM 0 HB ILE B 14 0.865 7.788 5.547 1.00 0.00 H new ATOM 0 HG12 ILE B 14 -0.676 7.156 3.064 1.00 0.00 H new ATOM 0 HG13 ILE B 14 -0.425 5.910 4.270 1.00 0.00 H new ATOM 0 HG21 ILE B 14 0.245 9.580 3.986 1.00 0.00 H new ATOM 0 HG22 ILE B 14 2.008 9.362 4.087 1.00 0.00 H new ATOM 0 HG23 ILE B 14 1.113 8.734 2.683 1.00 0.00 H new ATOM 0 HD11 ILE B 14 -2.518 7.113 4.674 1.00 0.00 H new ATOM 0 HD12 ILE B 14 -1.370 7.383 6.007 1.00 0.00 H new ATOM 0 HD13 ILE B 14 -1.625 8.648 4.783 1.00 0.00 H new ATOM 1813 N ALA B 15 3.359 7.045 6.077 1.00 0.00 N ATOM 1814 CA ALA B 15 4.406 7.631 6.867 1.00 0.00 C ATOM 1815 C ALA B 15 5.746 6.962 6.639 1.00 0.00 C ATOM 1816 O ALA B 15 6.770 7.638 6.536 1.00 0.00 O ATOM 1817 CB ALA B 15 3.973 7.599 8.310 1.00 0.00 C ATOM 0 H ALA B 15 2.735 6.433 6.602 1.00 0.00 H new ATOM 0 HA ALA B 15 4.562 8.666 6.561 1.00 0.00 H new ATOM 0 HB1 ALA B 15 4.751 8.039 8.933 1.00 0.00 H new ATOM 0 HB2 ALA B 15 3.051 8.168 8.426 1.00 0.00 H new ATOM 0 HB3 ALA B 15 3.803 6.567 8.616 1.00 0.00 H new ATOM 1823 N VAL B 16 5.743 5.643 6.508 1.00 0.00 N ATOM 1824 CA VAL B 16 6.969 4.922 6.231 1.00 0.00 C ATOM 1825 C VAL B 16 7.655 5.575 5.041 1.00 0.00 C ATOM 1826 O VAL B 16 8.880 5.612 4.938 1.00 0.00 O ATOM 1827 CB VAL B 16 6.672 3.454 5.878 1.00 0.00 C ATOM 1828 CG1 VAL B 16 5.891 2.776 6.978 1.00 0.00 C ATOM 1829 CG2 VAL B 16 5.891 3.375 4.584 1.00 0.00 C ATOM 0 H VAL B 16 4.911 5.058 6.589 1.00 0.00 H new ATOM 0 HA VAL B 16 7.604 4.951 7.117 1.00 0.00 H new ATOM 0 HB VAL B 16 7.626 2.940 5.761 1.00 0.00 H new ATOM 0 HG11 VAL B 16 5.696 1.740 6.700 1.00 0.00 H new ATOM 0 HG12 VAL B 16 6.468 2.801 7.903 1.00 0.00 H new ATOM 0 HG13 VAL B 16 4.945 3.296 7.126 1.00 0.00 H new ATOM 0 HG21 VAL B 16 5.687 2.331 4.345 1.00 0.00 H new ATOM 0 HG22 VAL B 16 4.949 3.913 4.694 1.00 0.00 H new ATOM 0 HG23 VAL B 16 6.473 3.824 3.780 1.00 0.00 H new ATOM 1839 N PHE B 17 6.817 6.071 4.132 1.00 0.00 N ATOM 1840 CA PHE B 17 7.283 6.714 2.912 1.00 0.00 C ATOM 1841 C PHE B 17 7.714 8.169 3.123 1.00 0.00 C ATOM 1842 O PHE B 17 8.850 8.526 2.818 1.00 0.00 O ATOM 1843 CB PHE B 17 6.173 6.660 1.854 1.00 0.00 C ATOM 1844 CG PHE B 17 6.205 7.801 0.873 1.00 0.00 C ATOM 1845 CD1 PHE B 17 7.347 8.064 0.134 1.00 0.00 C ATOM 1846 CD2 PHE B 17 5.096 8.612 0.699 1.00 0.00 C ATOM 1847 CE1 PHE B 17 7.381 9.115 -0.762 1.00 0.00 C ATOM 1848 CE2 PHE B 17 5.125 9.666 -0.194 1.00 0.00 C ATOM 1849 CZ PHE B 17 6.269 9.917 -0.926 1.00 0.00 C ATOM 0 H PHE B 17 5.802 6.037 4.223 1.00 0.00 H new ATOM 0 HA PHE B 17 8.165 6.167 2.581 1.00 0.00 H new ATOM 0 HB2 PHE B 17 6.253 5.721 1.306 1.00 0.00 H new ATOM 0 HB3 PHE B 17 5.206 6.654 2.357 1.00 0.00 H new ATOM 0 HD1 PHE B 17 8.220 7.441 0.260 1.00 0.00 H new ATOM 0 HD2 PHE B 17 4.198 8.418 1.268 1.00 0.00 H new ATOM 0 HE1 PHE B 17 8.276 9.309 -1.334 1.00 0.00 H new ATOM 0 HE2 PHE B 17 4.254 10.293 -0.319 1.00 0.00 H new ATOM 0 HZ PHE B 17 6.294 10.739 -1.626 1.00 0.00 H new ATOM 1859 N GLN B 18 6.793 9.010 3.601 1.00 0.00 N ATOM 1860 CA GLN B 18 7.078 10.434 3.788 1.00 0.00 C ATOM 1861 C GLN B 18 8.038 10.703 4.935 1.00 0.00 C ATOM 1862 O GLN B 18 8.713 11.731 4.946 1.00 0.00 O ATOM 1863 CB GLN B 18 5.786 11.230 3.984 1.00 0.00 C ATOM 1864 CG GLN B 18 4.741 10.501 4.797 1.00 0.00 C ATOM 1865 CD GLN B 18 4.597 11.058 6.185 1.00 0.00 C ATOM 1866 OE1 GLN B 18 5.394 10.524 7.091 1.00 0.00 O flip ATOM 1867 NE2 GLN B 18 3.789 11.950 6.440 1.00 0.00 N flip ATOM 0 H GLN B 18 5.848 8.731 3.864 1.00 0.00 H new ATOM 0 HA GLN B 18 7.571 10.767 2.875 1.00 0.00 H new ATOM 0 HB2 GLN B 18 6.022 12.174 4.475 1.00 0.00 H new ATOM 0 HB3 GLN B 18 5.368 11.474 3.007 1.00 0.00 H new ATOM 0 HG2 GLN B 18 3.781 10.560 4.284 1.00 0.00 H new ATOM 0 HG3 GLN B 18 5.005 9.445 4.859 1.00 0.00 H new ATOM 0 HE21 GLN B 18 3.196 12.328 5.701 1.00 0.00 H new ATOM 0 HE22 GLN B 18 3.712 12.312 7.391 1.00 0.00 H new ATOM 1876 N LYS B 19 8.108 9.799 5.905 1.00 0.00 N ATOM 1877 CA LYS B 19 9.008 10.004 7.033 1.00 0.00 C ATOM 1878 C LYS B 19 10.420 10.274 6.527 1.00 0.00 C ATOM 1879 O LYS B 19 11.039 11.277 6.885 1.00 0.00 O ATOM 1880 CB LYS B 19 9.005 8.780 7.952 1.00 0.00 C ATOM 1881 CG LYS B 19 9.755 8.996 9.255 1.00 0.00 C ATOM 1882 CD LYS B 19 9.014 9.958 10.171 1.00 0.00 C ATOM 1883 CE LYS B 19 7.732 9.341 10.708 1.00 0.00 C ATOM 1884 NZ LYS B 19 6.586 10.289 10.634 1.00 0.00 N ATOM 0 H LYS B 19 7.566 8.936 5.935 1.00 0.00 H new ATOM 0 HA LYS B 19 8.661 10.866 7.604 1.00 0.00 H new ATOM 0 HB2 LYS B 19 7.974 8.508 8.177 1.00 0.00 H new ATOM 0 HB3 LYS B 19 9.449 7.937 7.422 1.00 0.00 H new ATOM 0 HG2 LYS B 19 9.890 8.040 9.761 1.00 0.00 H new ATOM 0 HG3 LYS B 19 10.750 9.387 9.043 1.00 0.00 H new ATOM 0 HD2 LYS B 19 9.659 10.240 11.003 1.00 0.00 H new ATOM 0 HD3 LYS B 19 8.779 10.872 9.626 1.00 0.00 H new ATOM 0 HE2 LYS B 19 7.496 8.441 10.139 1.00 0.00 H new ATOM 0 HE3 LYS B 19 7.883 9.034 11.743 1.00 0.00 H new ATOM 0 HZ1 LYS B 19 5.731 9.830 11.009 1.00 0.00 H new ATOM 0 HZ2 LYS B 19 6.800 11.137 11.197 1.00 0.00 H new ATOM 0 HZ3 LYS B 19 6.425 10.563 9.644 1.00 0.00 H new ATOM 1898 N TYR B 20 10.902 9.396 5.656 1.00 0.00 N ATOM 1899 CA TYR B 20 12.215 9.556 5.051 1.00 0.00 C ATOM 1900 C TYR B 20 12.127 10.541 3.897 1.00 0.00 C ATOM 1901 O TYR B 20 13.003 11.381 3.692 1.00 0.00 O ATOM 1902 CB TYR B 20 12.753 8.210 4.568 1.00 0.00 C ATOM 1903 CG TYR B 20 12.426 7.059 5.494 1.00 0.00 C ATOM 1904 CD1 TYR B 20 12.888 7.043 6.805 1.00 0.00 C ATOM 1905 CD2 TYR B 20 11.651 5.991 5.061 1.00 0.00 C ATOM 1906 CE1 TYR B 20 12.587 5.995 7.656 1.00 0.00 C ATOM 1907 CE2 TYR B 20 11.347 4.940 5.905 1.00 0.00 C ATOM 1908 CZ TYR B 20 11.817 4.947 7.200 1.00 0.00 C ATOM 1909 OH TYR B 20 11.516 3.902 8.045 1.00 0.00 O ATOM 0 H TYR B 20 10.399 8.562 5.353 1.00 0.00 H new ATOM 0 HA TYR B 20 12.905 9.945 5.799 1.00 0.00 H new ATOM 0 HB2 TYR B 20 12.344 7.998 3.580 1.00 0.00 H new ATOM 0 HB3 TYR B 20 13.835 8.280 4.457 1.00 0.00 H new ATOM 0 HD1 TYR B 20 13.492 7.863 7.165 1.00 0.00 H new ATOM 0 HD2 TYR B 20 11.279 5.982 4.047 1.00 0.00 H new ATOM 0 HE1 TYR B 20 12.953 5.998 8.672 1.00 0.00 H new ATOM 0 HE2 TYR B 20 10.744 4.117 5.551 1.00 0.00 H new ATOM 0 HH TYR B 20 10.964 3.246 7.570 1.00 0.00 H new ATOM 1919 N ALA B 21 11.042 10.399 3.142 1.00 0.00 N ATOM 1920 CA ALA B 21 10.767 11.228 1.979 1.00 0.00 C ATOM 1921 C ALA B 21 10.598 12.703 2.344 1.00 0.00 C ATOM 1922 O ALA B 21 10.598 13.567 1.467 1.00 0.00 O ATOM 1923 CB ALA B 21 9.522 10.696 1.286 1.00 0.00 C ATOM 0 H ALA B 21 10.324 9.698 3.324 1.00 0.00 H new ATOM 0 HA ALA B 21 11.622 11.176 1.305 1.00 0.00 H new ATOM 0 HB1 ALA B 21 9.303 11.308 0.411 1.00 0.00 H new ATOM 0 HB2 ALA B 21 9.691 9.665 0.975 1.00 0.00 H new ATOM 0 HB3 ALA B 21 8.678 10.733 1.975 1.00 0.00 H new ATOM 1929 N GLY B 22 10.455 12.988 3.635 1.00 0.00 N ATOM 1930 CA GLY B 22 10.290 14.362 4.073 1.00 0.00 C ATOM 1931 C GLY B 22 11.560 15.178 3.916 1.00 0.00 C ATOM 1932 O GLY B 22 12.149 15.618 4.903 1.00 0.00 O ATOM 0 H GLY B 22 10.450 12.295 4.383 1.00 0.00 H new ATOM 0 HA2 GLY B 22 9.489 14.829 3.500 1.00 0.00 H new ATOM 0 HA3 GLY B 22 9.982 14.372 5.119 1.00 0.00 H new ATOM 2006 N VAL B 28 7.729 15.405 -2.549 1.00 0.00 N ATOM 2007 CA VAL B 28 7.052 14.262 -1.950 1.00 0.00 C ATOM 2008 C VAL B 28 7.528 12.952 -2.573 1.00 0.00 C ATOM 2009 O VAL B 28 6.755 12.233 -3.205 1.00 0.00 O ATOM 2010 CB VAL B 28 5.521 14.375 -2.101 1.00 0.00 C ATOM 2011 CG1 VAL B 28 5.127 14.401 -3.570 1.00 0.00 C ATOM 2012 CG2 VAL B 28 4.823 13.237 -1.369 1.00 0.00 C ATOM 0 HA VAL B 28 7.302 14.263 -0.889 1.00 0.00 H new ATOM 0 HB VAL B 28 5.200 15.313 -1.649 1.00 0.00 H new ATOM 0 HG11 VAL B 28 4.043 14.481 -3.655 1.00 0.00 H new ATOM 0 HG12 VAL B 28 5.593 15.258 -4.057 1.00 0.00 H new ATOM 0 HG13 VAL B 28 5.462 13.483 -4.053 1.00 0.00 H new ATOM 0 HG21 VAL B 28 3.744 13.335 -1.488 1.00 0.00 H new ATOM 0 HG22 VAL B 28 5.148 12.283 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL B 28 5.076 13.276 -0.310 1.00 0.00 H new ATOM 2022 N THR B 29 8.810 12.649 -2.387 1.00 0.00 N ATOM 2023 CA THR B 29 9.396 11.427 -2.927 1.00 0.00 C ATOM 2024 C THR B 29 10.509 10.909 -2.019 1.00 0.00 C ATOM 2025 O THR B 29 10.804 11.500 -0.980 1.00 0.00 O ATOM 2026 CB THR B 29 9.944 11.673 -4.333 1.00 0.00 C ATOM 2027 OG1 THR B 29 10.659 12.895 -4.387 1.00 0.00 O ATOM 2028 CG2 THR B 29 8.869 11.720 -5.398 1.00 0.00 C ATOM 0 H THR B 29 9.463 13.234 -1.866 1.00 0.00 H new ATOM 0 HA THR B 29 8.611 10.672 -2.979 1.00 0.00 H new ATOM 0 HB THR B 29 10.597 10.825 -4.539 1.00 0.00 H new ATOM 0 HG1 THR B 29 10.865 13.112 -5.320 1.00 0.00 H new ATOM 0 HG21 THR B 29 9.328 11.898 -6.371 1.00 0.00 H new ATOM 0 HG22 THR B 29 8.334 10.770 -5.417 1.00 0.00 H new ATOM 0 HG23 THR B 29 8.170 12.526 -5.174 1.00 0.00 H new ATOM 2036 N LEU B 30 11.121 9.803 -2.424 1.00 0.00 N ATOM 2037 CA LEU B 30 12.206 9.190 -1.661 1.00 0.00 C ATOM 2038 C LEU B 30 13.306 8.711 -2.608 1.00 0.00 C ATOM 2039 O LEU B 30 13.364 9.135 -3.759 1.00 0.00 O ATOM 2040 CB LEU B 30 11.659 8.005 -0.842 1.00 0.00 C ATOM 2041 CG LEU B 30 12.286 7.760 0.546 1.00 0.00 C ATOM 2042 CD1 LEU B 30 12.965 6.398 0.599 1.00 0.00 C ATOM 2043 CD2 LEU B 30 13.271 8.857 0.923 1.00 0.00 C ATOM 0 H LEU B 30 10.883 9.307 -3.283 1.00 0.00 H new ATOM 0 HA LEU B 30 12.628 9.930 -0.980 1.00 0.00 H new ATOM 0 HB2 LEU B 30 10.587 8.153 -0.708 1.00 0.00 H new ATOM 0 HB3 LEU B 30 11.784 7.098 -1.434 1.00 0.00 H new ATOM 0 HG LEU B 30 11.475 7.777 1.275 1.00 0.00 H new ATOM 0 HD11 LEU B 30 13.400 6.247 1.587 1.00 0.00 H new ATOM 0 HD12 LEU B 30 12.230 5.617 0.403 1.00 0.00 H new ATOM 0 HD13 LEU B 30 13.751 6.354 -0.154 1.00 0.00 H new ATOM 0 HD21 LEU B 30 13.690 8.647 1.907 1.00 0.00 H new ATOM 0 HD22 LEU B 30 14.074 8.894 0.187 1.00 0.00 H new ATOM 0 HD23 LEU B 30 12.755 9.817 0.946 1.00 0.00 H new ATOM 2055 N SER B 31 14.155 7.810 -2.133 1.00 0.00 N ATOM 2056 CA SER B 31 15.227 7.264 -2.956 1.00 0.00 C ATOM 2057 C SER B 31 15.333 5.756 -2.757 1.00 0.00 C ATOM 2058 O SER B 31 15.342 5.269 -1.627 1.00 0.00 O ATOM 2059 CB SER B 31 16.561 7.942 -2.623 1.00 0.00 C ATOM 2060 OG SER B 31 17.556 6.996 -2.266 1.00 0.00 O ATOM 0 H SER B 31 14.123 7.441 -1.182 1.00 0.00 H new ATOM 0 HA SER B 31 14.993 7.461 -4.002 1.00 0.00 H new ATOM 0 HB2 SER B 31 16.900 8.520 -3.483 1.00 0.00 H new ATOM 0 HB3 SER B 31 16.417 8.646 -1.803 1.00 0.00 H new ATOM 0 HG SER B 31 18.393 7.463 -2.062 1.00 0.00 H new ATOM 2066 N LYS B 32 15.412 5.019 -3.861 1.00 0.00 N ATOM 2067 CA LYS B 32 15.519 3.563 -3.801 1.00 0.00 C ATOM 2068 C LYS B 32 16.620 3.147 -2.832 1.00 0.00 C ATOM 2069 O LYS B 32 16.462 2.199 -2.064 1.00 0.00 O ATOM 2070 CB LYS B 32 15.800 2.990 -5.192 1.00 0.00 C ATOM 2071 CG LYS B 32 16.958 3.668 -5.906 1.00 0.00 C ATOM 2072 CD LYS B 32 18.204 2.793 -5.918 1.00 0.00 C ATOM 2073 CE LYS B 32 18.640 2.458 -7.335 1.00 0.00 C ATOM 2074 NZ LYS B 32 19.476 1.226 -7.384 1.00 0.00 N ATOM 0 H LYS B 32 15.404 5.404 -4.806 1.00 0.00 H new ATOM 0 HA LYS B 32 14.570 3.165 -3.443 1.00 0.00 H new ATOM 0 HB2 LYS B 32 16.014 1.925 -5.101 1.00 0.00 H new ATOM 0 HB3 LYS B 32 14.902 3.084 -5.803 1.00 0.00 H new ATOM 0 HG2 LYS B 32 16.667 3.901 -6.930 1.00 0.00 H new ATOM 0 HG3 LYS B 32 17.183 4.615 -5.415 1.00 0.00 H new ATOM 0 HD2 LYS B 32 19.014 3.306 -5.399 1.00 0.00 H new ATOM 0 HD3 LYS B 32 18.007 1.872 -5.370 1.00 0.00 H new ATOM 0 HE2 LYS B 32 17.759 2.324 -7.963 1.00 0.00 H new ATOM 0 HE3 LYS B 32 19.203 3.295 -7.749 1.00 0.00 H new ATOM 0 HZ1 LYS B 32 19.752 1.033 -8.368 1.00 0.00 H new ATOM 0 HZ2 LYS B 32 20.329 1.362 -6.805 1.00 0.00 H new ATOM 0 HZ3 LYS B 32 18.931 0.422 -7.013 1.00 0.00 H new ATOM 2088 N THR B 33 17.730 3.874 -2.870 1.00 0.00 N ATOM 2089 CA THR B 33 18.856 3.599 -1.994 1.00 0.00 C ATOM 2090 C THR B 33 18.548 4.050 -0.568 1.00 0.00 C ATOM 2091 O THR B 33 18.867 3.356 0.392 1.00 0.00 O ATOM 2092 CB THR B 33 20.114 4.297 -2.516 1.00 0.00 C ATOM 2093 OG1 THR B 33 20.853 3.435 -3.362 1.00 0.00 O ATOM 2094 CG2 THR B 33 21.041 4.763 -1.415 1.00 0.00 C ATOM 0 H THR B 33 17.872 4.662 -3.502 1.00 0.00 H new ATOM 0 HA THR B 33 19.033 2.524 -1.982 1.00 0.00 H new ATOM 0 HB THR B 33 19.753 5.170 -3.060 1.00 0.00 H new ATOM 0 HG1 THR B 33 21.652 3.901 -3.686 1.00 0.00 H new ATOM 0 HG21 THR B 33 21.912 5.249 -1.854 1.00 0.00 H new ATOM 0 HG22 THR B 33 20.516 5.470 -0.773 1.00 0.00 H new ATOM 0 HG23 THR B 33 21.363 3.906 -0.824 1.00 0.00 H new ATOM 2102 N GLU B 34 17.923 5.215 -0.429 1.00 0.00 N ATOM 2103 CA GLU B 34 17.582 5.725 0.891 1.00 0.00 C ATOM 2104 C GLU B 34 16.680 4.733 1.609 1.00 0.00 C ATOM 2105 O GLU B 34 16.737 4.588 2.829 1.00 0.00 O ATOM 2106 CB GLU B 34 16.893 7.088 0.782 1.00 0.00 C ATOM 2107 CG GLU B 34 17.691 8.221 1.407 1.00 0.00 C ATOM 2108 CD GLU B 34 16.910 9.519 1.465 1.00 0.00 C ATOM 2109 OE1 GLU B 34 15.788 9.512 2.013 1.00 0.00 O ATOM 2110 OE2 GLU B 34 17.421 10.541 0.962 1.00 0.00 O ATOM 0 H GLU B 34 17.646 5.816 -1.205 1.00 0.00 H new ATOM 0 HA GLU B 34 18.500 5.853 1.465 1.00 0.00 H new ATOM 0 HB2 GLU B 34 16.717 7.315 -0.270 1.00 0.00 H new ATOM 0 HB3 GLU B 34 15.917 7.033 1.264 1.00 0.00 H new ATOM 0 HG2 GLU B 34 17.991 7.936 2.415 1.00 0.00 H new ATOM 0 HG3 GLU B 34 18.605 8.376 0.834 1.00 0.00 H new ATOM 2117 N PHE B 35 15.860 4.036 0.828 1.00 0.00 N ATOM 2118 CA PHE B 35 14.949 3.037 1.370 1.00 0.00 C ATOM 2119 C PHE B 35 15.728 1.831 1.890 1.00 0.00 C ATOM 2120 O PHE B 35 15.276 1.125 2.792 1.00 0.00 O ATOM 2121 CB PHE B 35 13.934 2.598 0.303 1.00 0.00 C ATOM 2122 CG PHE B 35 12.672 1.989 0.862 1.00 0.00 C ATOM 2123 CD1 PHE B 35 12.539 1.728 2.220 1.00 0.00 C ATOM 2124 CD2 PHE B 35 11.617 1.675 0.021 1.00 0.00 C ATOM 2125 CE1 PHE B 35 11.382 1.167 2.723 1.00 0.00 C ATOM 2126 CE2 PHE B 35 10.457 1.113 0.520 1.00 0.00 C ATOM 2127 CZ PHE B 35 10.340 0.858 1.872 1.00 0.00 C ATOM 0 H PHE B 35 15.809 4.146 -0.185 1.00 0.00 H new ATOM 0 HA PHE B 35 14.404 3.484 2.202 1.00 0.00 H new ATOM 0 HB2 PHE B 35 13.668 3.462 -0.306 1.00 0.00 H new ATOM 0 HB3 PHE B 35 14.410 1.875 -0.359 1.00 0.00 H new ATOM 0 HD1 PHE B 35 13.351 1.967 2.891 1.00 0.00 H new ATOM 0 HD2 PHE B 35 11.702 1.872 -1.038 1.00 0.00 H new ATOM 0 HE1 PHE B 35 11.292 0.970 3.781 1.00 0.00 H new ATOM 0 HE2 PHE B 35 9.642 0.873 -0.147 1.00 0.00 H new ATOM 0 HZ PHE B 35 9.435 0.418 2.263 1.00 0.00 H new ATOM 2137 N LEU B 36 16.908 1.599 1.319 1.00 0.00 N ATOM 2138 CA LEU B 36 17.752 0.481 1.729 1.00 0.00 C ATOM 2139 C LEU B 36 18.038 0.529 3.211 1.00 0.00 C ATOM 2140 O LEU B 36 17.742 -0.405 3.957 1.00 0.00 O ATOM 2141 CB LEU B 36 19.088 0.542 0.997 1.00 0.00 C ATOM 2142 CG LEU B 36 19.185 -0.341 -0.223 1.00 0.00 C ATOM 2143 CD1 LEU B 36 19.073 -1.799 0.190 1.00 0.00 C ATOM 2144 CD2 LEU B 36 18.109 0.039 -1.224 1.00 0.00 C ATOM 0 H LEU B 36 17.301 2.171 0.571 1.00 0.00 H new ATOM 0 HA LEU B 36 17.217 -0.438 1.487 1.00 0.00 H new ATOM 0 HB2 LEU B 36 19.275 1.573 0.697 1.00 0.00 H new ATOM 0 HB3 LEU B 36 19.880 0.264 1.693 1.00 0.00 H new ATOM 0 HG LEU B 36 20.153 -0.199 -0.704 1.00 0.00 H new ATOM 0 HD11 LEU B 36 19.143 -2.434 -0.693 1.00 0.00 H new ATOM 0 HD12 LEU B 36 19.881 -2.045 0.879 1.00 0.00 H new ATOM 0 HD13 LEU B 36 18.114 -1.965 0.681 1.00 0.00 H new ATOM 0 HD21 LEU B 36 18.186 -0.603 -2.102 1.00 0.00 H new ATOM 0 HD22 LEU B 36 17.127 -0.086 -0.768 1.00 0.00 H new ATOM 0 HD23 LEU B 36 18.241 1.079 -1.522 1.00 0.00 H new ATOM 2156 N SER B 37 18.647 1.625 3.617 1.00 0.00 N ATOM 2157 CA SER B 37 19.021 1.818 5.004 1.00 0.00 C ATOM 2158 C SER B 37 17.799 1.781 5.915 1.00 0.00 C ATOM 2159 O SER B 37 17.814 1.136 6.963 1.00 0.00 O ATOM 2160 CB SER B 37 19.768 3.142 5.178 1.00 0.00 C ATOM 2161 OG SER B 37 20.828 3.258 4.244 1.00 0.00 O ATOM 0 H SER B 37 18.895 2.400 3.002 1.00 0.00 H new ATOM 0 HA SER B 37 19.682 0.999 5.288 1.00 0.00 H new ATOM 0 HB2 SER B 37 19.075 3.973 5.051 1.00 0.00 H new ATOM 0 HB3 SER B 37 20.164 3.209 6.191 1.00 0.00 H new ATOM 0 HG SER B 37 21.288 4.113 4.376 1.00 0.00 H new ATOM 2167 N PHE B 38 16.739 2.475 5.508 1.00 0.00 N ATOM 2168 CA PHE B 38 15.507 2.516 6.290 1.00 0.00 C ATOM 2169 C PHE B 38 14.961 1.111 6.510 1.00 0.00 C ATOM 2170 O PHE B 38 14.262 0.849 7.489 1.00 0.00 O ATOM 2171 CB PHE B 38 14.454 3.377 5.588 1.00 0.00 C ATOM 2172 CG PHE B 38 14.989 4.666 5.029 1.00 0.00 C ATOM 2173 CD1 PHE B 38 16.097 5.281 5.594 1.00 0.00 C ATOM 2174 CD2 PHE B 38 14.383 5.260 3.935 1.00 0.00 C ATOM 2175 CE1 PHE B 38 16.587 6.465 5.077 1.00 0.00 C ATOM 2176 CE2 PHE B 38 14.869 6.443 3.414 1.00 0.00 C ATOM 2177 CZ PHE B 38 15.972 7.047 3.985 1.00 0.00 C ATOM 0 H PHE B 38 16.709 3.015 4.643 1.00 0.00 H new ATOM 0 HA PHE B 38 15.738 2.958 7.259 1.00 0.00 H new ATOM 0 HB2 PHE B 38 14.009 2.799 4.778 1.00 0.00 H new ATOM 0 HB3 PHE B 38 13.655 3.603 6.294 1.00 0.00 H new ATOM 0 HD1 PHE B 38 16.582 4.829 6.447 1.00 0.00 H new ATOM 0 HD2 PHE B 38 13.520 4.793 3.484 1.00 0.00 H new ATOM 0 HE1 PHE B 38 17.450 6.935 5.526 1.00 0.00 H new ATOM 0 HE2 PHE B 38 14.387 6.896 2.560 1.00 0.00 H new ATOM 0 HZ PHE B 38 16.353 7.972 3.579 1.00 0.00 H new ATOM 2187 N MET B 39 15.283 0.211 5.590 1.00 0.00 N ATOM 2188 CA MET B 39 14.829 -1.169 5.681 1.00 0.00 C ATOM 2189 C MET B 39 15.667 -1.953 6.687 1.00 0.00 C ATOM 2190 O MET B 39 15.139 -2.537 7.630 1.00 0.00 O ATOM 2191 CB MET B 39 14.899 -1.835 4.305 1.00 0.00 C ATOM 2192 CG MET B 39 14.524 -3.308 4.317 1.00 0.00 C ATOM 2193 SD MET B 39 13.479 -3.773 2.924 1.00 0.00 S ATOM 2194 CE MET B 39 12.043 -2.745 3.224 1.00 0.00 C ATOM 0 H MET B 39 15.857 0.413 4.772 1.00 0.00 H new ATOM 0 HA MET B 39 13.795 -1.168 6.026 1.00 0.00 H new ATOM 0 HB2 MET B 39 14.235 -1.306 3.621 1.00 0.00 H new ATOM 0 HB3 MET B 39 15.910 -1.730 3.912 1.00 0.00 H new ATOM 0 HG2 MET B 39 15.433 -3.910 4.301 1.00 0.00 H new ATOM 0 HG3 MET B 39 14.005 -3.539 5.248 1.00 0.00 H new ATOM 0 HE1 MET B 39 11.209 -3.369 3.545 1.00 0.00 H new ATOM 0 HE2 MET B 39 12.272 -2.018 4.003 1.00 0.00 H new ATOM 0 HE3 MET B 39 11.772 -2.221 2.307 1.00 0.00 H new ATOM 2204 N ASN B 40 16.975 -1.964 6.474 1.00 0.00 N ATOM 2205 CA ASN B 40 17.892 -2.682 7.354 1.00 0.00 C ATOM 2206 C ASN B 40 17.785 -2.209 8.805 1.00 0.00 C ATOM 2207 O ASN B 40 18.216 -2.907 9.722 1.00 0.00 O ATOM 2208 CB ASN B 40 19.331 -2.511 6.861 1.00 0.00 C ATOM 2209 CG ASN B 40 19.613 -3.315 5.606 1.00 0.00 C ATOM 2210 OD1 ASN B 40 19.752 -4.536 5.656 1.00 0.00 O ATOM 2211 ND2 ASN B 40 19.700 -2.630 4.470 1.00 0.00 N ATOM 0 H ASN B 40 17.428 -1.483 5.697 1.00 0.00 H new ATOM 0 HA ASN B 40 17.613 -3.735 7.327 1.00 0.00 H new ATOM 0 HB2 ASN B 40 19.521 -1.456 6.664 1.00 0.00 H new ATOM 0 HB3 ASN B 40 20.020 -2.817 7.648 1.00 0.00 H new ATOM 0 HD21 ASN B 40 19.889 -3.117 3.594 1.00 0.00 H new ATOM 0 HD22 ASN B 40 19.578 -1.617 4.474 1.00 0.00 H new ATOM 2218 N THR B 41 17.234 -1.015 9.012 1.00 0.00 N ATOM 2219 CA THR B 41 17.109 -0.461 10.360 1.00 0.00 C ATOM 2220 C THR B 41 15.735 -0.704 10.971 1.00 0.00 C ATOM 2221 O THR B 41 15.604 -0.793 12.192 1.00 0.00 O ATOM 2222 CB THR B 41 17.380 1.044 10.343 1.00 0.00 C ATOM 2223 OG1 THR B 41 17.360 1.572 11.656 1.00 0.00 O ATOM 2224 CG2 THR B 41 16.382 1.829 9.519 1.00 0.00 C ATOM 0 H THR B 41 16.869 -0.416 8.271 1.00 0.00 H new ATOM 0 HA THR B 41 17.848 -0.976 10.974 1.00 0.00 H new ATOM 0 HB THR B 41 18.364 1.151 9.887 1.00 0.00 H new ATOM 0 HG1 THR B 41 17.537 2.535 11.624 1.00 0.00 H new ATOM 0 HG21 THR B 41 16.636 2.888 9.552 1.00 0.00 H new ATOM 0 HG22 THR B 41 16.410 1.482 8.486 1.00 0.00 H new ATOM 0 HG23 THR B 41 15.381 1.683 9.924 1.00 0.00 H new ATOM 2232 N GLU B 42 14.704 -0.762 10.137 1.00 0.00 N ATOM 2233 CA GLU B 42 13.347 -0.939 10.642 1.00 0.00 C ATOM 2234 C GLU B 42 12.622 -2.106 9.971 1.00 0.00 C ATOM 2235 O GLU B 42 11.867 -2.828 10.622 1.00 0.00 O ATOM 2236 CB GLU B 42 12.558 0.360 10.446 1.00 0.00 C ATOM 2237 CG GLU B 42 13.418 1.622 10.532 1.00 0.00 C ATOM 2238 CD GLU B 42 12.877 2.629 11.527 1.00 0.00 C ATOM 2239 OE1 GLU B 42 11.676 2.962 11.443 1.00 0.00 O ATOM 2240 OE2 GLU B 42 13.655 3.085 12.392 1.00 0.00 O ATOM 0 H GLU B 42 14.778 -0.690 9.122 1.00 0.00 H new ATOM 0 HA GLU B 42 13.415 -1.178 11.703 1.00 0.00 H new ATOM 0 HB2 GLU B 42 12.066 0.332 9.474 1.00 0.00 H new ATOM 0 HB3 GLU B 42 11.772 0.415 11.200 1.00 0.00 H new ATOM 0 HG2 GLU B 42 14.434 1.346 10.815 1.00 0.00 H new ATOM 0 HG3 GLU B 42 13.476 2.085 9.547 1.00 0.00 H new ATOM 2247 N LEU B 43 12.853 -2.289 8.679 1.00 0.00 N ATOM 2248 CA LEU B 43 12.218 -3.375 7.940 1.00 0.00 C ATOM 2249 C LEU B 43 13.233 -4.465 7.631 1.00 0.00 C ATOM 2250 O LEU B 43 13.187 -5.101 6.578 1.00 0.00 O ATOM 2251 CB LEU B 43 11.590 -2.847 6.647 1.00 0.00 C ATOM 2252 CG LEU B 43 10.095 -2.536 6.740 1.00 0.00 C ATOM 2253 CD1 LEU B 43 9.557 -2.095 5.389 1.00 0.00 C ATOM 2254 CD2 LEU B 43 9.329 -3.746 7.257 1.00 0.00 C ATOM 0 H LEU B 43 13.473 -1.703 8.121 1.00 0.00 H new ATOM 0 HA LEU B 43 11.427 -3.800 8.558 1.00 0.00 H new ATOM 0 HB2 LEU B 43 12.117 -1.941 6.347 1.00 0.00 H new ATOM 0 HB3 LEU B 43 11.745 -3.582 5.858 1.00 0.00 H new ATOM 0 HG LEU B 43 9.956 -1.717 7.446 1.00 0.00 H new ATOM 0 HD11 LEU B 43 8.492 -1.878 5.475 1.00 0.00 H new ATOM 0 HD12 LEU B 43 10.085 -1.199 5.062 1.00 0.00 H new ATOM 0 HD13 LEU B 43 9.708 -2.891 4.660 1.00 0.00 H new ATOM 0 HD21 LEU B 43 8.267 -3.506 7.317 1.00 0.00 H new ATOM 0 HD22 LEU B 43 9.474 -4.586 6.577 1.00 0.00 H new ATOM 0 HD23 LEU B 43 9.697 -4.013 8.248 1.00 0.00 H new ATOM 2266 N ALA B 44 14.148 -4.671 8.567 1.00 0.00 N ATOM 2267 CA ALA B 44 15.185 -5.677 8.421 1.00 0.00 C ATOM 2268 C ALA B 44 14.628 -7.069 8.685 1.00 0.00 C ATOM 2269 O ALA B 44 15.111 -8.058 8.135 1.00 0.00 O ATOM 2270 CB ALA B 44 16.338 -5.370 9.361 1.00 0.00 C ATOM 0 H ALA B 44 14.191 -4.149 9.442 1.00 0.00 H new ATOM 0 HA ALA B 44 15.554 -5.655 7.395 1.00 0.00 H new ATOM 0 HB1 ALA B 44 17.113 -6.128 9.247 1.00 0.00 H new ATOM 0 HB2 ALA B 44 16.751 -4.390 9.122 1.00 0.00 H new ATOM 0 HB3 ALA B 44 15.979 -5.371 10.390 1.00 0.00 H new ATOM 2276 N ALA B 45 13.597 -7.135 9.523 1.00 0.00 N ATOM 2277 CA ALA B 45 12.959 -8.401 9.854 1.00 0.00 C ATOM 2278 C ALA B 45 12.528 -9.137 8.588 1.00 0.00 C ATOM 2279 O ALA B 45 12.449 -10.364 8.565 1.00 0.00 O ATOM 2280 CB ALA B 45 11.766 -8.161 10.767 1.00 0.00 C ATOM 0 H ALA B 45 13.187 -6.323 9.985 1.00 0.00 H new ATOM 0 HA ALA B 45 13.681 -9.027 10.378 1.00 0.00 H new ATOM 0 HB1 ALA B 45 11.295 -9.114 11.009 1.00 0.00 H new ATOM 0 HB2 ALA B 45 12.102 -7.679 11.685 1.00 0.00 H new ATOM 0 HB3 ALA B 45 11.045 -7.518 10.262 1.00 0.00 H new ATOM 2286 N PHE B 46 12.257 -8.371 7.535 1.00 0.00 N ATOM 2287 CA PHE B 46 11.840 -8.939 6.260 1.00 0.00 C ATOM 2288 C PHE B 46 13.054 -9.312 5.414 1.00 0.00 C ATOM 2289 O PHE B 46 12.994 -10.224 4.590 1.00 0.00 O ATOM 2290 CB PHE B 46 10.963 -7.943 5.496 1.00 0.00 C ATOM 2291 CG PHE B 46 9.540 -7.893 5.979 1.00 0.00 C ATOM 2292 CD1 PHE B 46 9.254 -7.834 7.333 1.00 0.00 C ATOM 2293 CD2 PHE B 46 8.490 -7.902 5.075 1.00 0.00 C ATOM 2294 CE1 PHE B 46 7.947 -7.786 7.778 1.00 0.00 C ATOM 2295 CE2 PHE B 46 7.181 -7.853 5.514 1.00 0.00 C ATOM 2296 CZ PHE B 46 6.909 -7.795 6.867 1.00 0.00 C ATOM 0 H PHE B 46 12.319 -7.353 7.541 1.00 0.00 H new ATOM 0 HA PHE B 46 11.263 -9.841 6.462 1.00 0.00 H new ATOM 0 HB2 PHE B 46 11.401 -6.948 5.580 1.00 0.00 H new ATOM 0 HB3 PHE B 46 10.969 -8.205 4.438 1.00 0.00 H new ATOM 0 HD1 PHE B 46 10.062 -7.825 8.049 1.00 0.00 H new ATOM 0 HD2 PHE B 46 8.697 -7.948 4.016 1.00 0.00 H new ATOM 0 HE1 PHE B 46 7.737 -7.742 8.837 1.00 0.00 H new ATOM 0 HE2 PHE B 46 6.371 -7.860 4.800 1.00 0.00 H new ATOM 0 HZ PHE B 46 5.886 -7.757 7.212 1.00 0.00 H new ATOM 2306 N THR B 47 14.154 -8.595 5.625 1.00 0.00 N ATOM 2307 CA THR B 47 15.385 -8.842 4.882 1.00 0.00 C ATOM 2308 C THR B 47 16.192 -9.973 5.514 1.00 0.00 C ATOM 2309 O THR B 47 16.865 -10.731 4.816 1.00 0.00 O ATOM 2310 CB THR B 47 16.227 -7.568 4.821 1.00 0.00 C ATOM 2311 OG1 THR B 47 16.769 -7.264 6.095 1.00 0.00 O ATOM 2312 CG2 THR B 47 15.446 -6.359 4.353 1.00 0.00 C ATOM 0 H THR B 47 14.218 -7.838 6.305 1.00 0.00 H new ATOM 0 HA THR B 47 15.115 -9.142 3.870 1.00 0.00 H new ATOM 0 HB THR B 47 17.015 -7.775 4.097 1.00 0.00 H new ATOM 0 HG1 THR B 47 16.197 -7.645 6.793 1.00 0.00 H new ATOM 0 HG21 THR B 47 16.101 -5.488 4.332 1.00 0.00 H new ATOM 0 HG22 THR B 47 15.055 -6.543 3.352 1.00 0.00 H new ATOM 0 HG23 THR B 47 14.618 -6.174 5.037 1.00 0.00 H new ATOM 2428 N VAL B 55 12.050 -11.070 -3.185 1.00 0.00 N ATOM 2429 CA VAL B 55 11.310 -10.177 -2.302 1.00 0.00 C ATOM 2430 C VAL B 55 11.827 -8.748 -2.411 1.00 0.00 C ATOM 2431 O VAL B 55 11.099 -7.842 -2.816 1.00 0.00 O ATOM 2432 CB VAL B 55 11.400 -10.636 -0.832 1.00 0.00 C ATOM 2433 CG1 VAL B 55 10.580 -9.725 0.070 1.00 0.00 C ATOM 2434 CG2 VAL B 55 10.944 -12.081 -0.696 1.00 0.00 C ATOM 0 HA VAL B 55 10.268 -10.209 -2.619 1.00 0.00 H new ATOM 0 HB VAL B 55 12.442 -10.574 -0.517 1.00 0.00 H new ATOM 0 HG11 VAL B 55 10.658 -10.068 1.102 1.00 0.00 H new ATOM 0 HG12 VAL B 55 10.958 -8.705 -0.003 1.00 0.00 H new ATOM 0 HG13 VAL B 55 9.536 -9.748 -0.242 1.00 0.00 H new ATOM 0 HG21 VAL B 55 11.014 -12.388 0.348 1.00 0.00 H new ATOM 0 HG22 VAL B 55 9.911 -12.170 -1.032 1.00 0.00 H new ATOM 0 HG23 VAL B 55 11.580 -12.722 -1.306 1.00 0.00 H new ATOM 2444 N LEU B 56 13.089 -8.553 -2.044 1.00 0.00 N ATOM 2445 CA LEU B 56 13.706 -7.248 -2.096 1.00 0.00 C ATOM 2446 C LEU B 56 13.848 -6.778 -3.537 1.00 0.00 C ATOM 2447 O LEU B 56 13.433 -5.677 -3.889 1.00 0.00 O ATOM 2448 CB LEU B 56 15.076 -7.331 -1.435 1.00 0.00 C ATOM 2449 CG LEU B 56 15.838 -6.023 -1.374 1.00 0.00 C ATOM 2450 CD1 LEU B 56 16.972 -6.125 -0.372 1.00 0.00 C ATOM 2451 CD2 LEU B 56 16.371 -5.652 -2.749 1.00 0.00 C ATOM 0 H LEU B 56 13.703 -9.294 -1.706 1.00 0.00 H new ATOM 0 HA LEU B 56 13.080 -6.529 -1.568 1.00 0.00 H new ATOM 0 HB2 LEU B 56 14.951 -7.709 -0.420 1.00 0.00 H new ATOM 0 HB3 LEU B 56 15.679 -8.061 -1.975 1.00 0.00 H new ATOM 0 HG LEU B 56 15.157 -5.237 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU B 56 17.513 -5.179 -0.337 1.00 0.00 H new ATOM 0 HD12 LEU B 56 16.567 -6.348 0.615 1.00 0.00 H new ATOM 0 HD13 LEU B 56 17.653 -6.921 -0.673 1.00 0.00 H new ATOM 0 HD21 LEU B 56 16.916 -4.710 -2.686 1.00 0.00 H new ATOM 0 HD22 LEU B 56 17.041 -6.435 -3.103 1.00 0.00 H new ATOM 0 HD23 LEU B 56 15.539 -5.544 -3.445 1.00 0.00 H new ATOM 2463 N ASP B 57 14.440 -7.627 -4.364 1.00 0.00 N ATOM 2464 CA ASP B 57 14.645 -7.308 -5.772 1.00 0.00 C ATOM 2465 C ASP B 57 13.325 -6.952 -6.452 1.00 0.00 C ATOM 2466 O ASP B 57 13.304 -6.210 -7.435 1.00 0.00 O ATOM 2467 CB ASP B 57 15.302 -8.489 -6.490 1.00 0.00 C ATOM 2468 CG ASP B 57 16.806 -8.332 -6.602 1.00 0.00 C ATOM 2469 OD1 ASP B 57 17.503 -8.566 -5.593 1.00 0.00 O ATOM 2470 OD2 ASP B 57 17.285 -7.976 -7.699 1.00 0.00 O ATOM 0 H ASP B 57 14.788 -8.544 -4.085 1.00 0.00 H new ATOM 0 HA ASP B 57 15.304 -6.442 -5.830 1.00 0.00 H new ATOM 0 HB2 ASP B 57 15.074 -9.410 -5.953 1.00 0.00 H new ATOM 0 HB3 ASP B 57 14.874 -8.588 -7.488 1.00 0.00 H new ATOM 2475 N ARG B 58 12.227 -7.485 -5.925 1.00 0.00 N ATOM 2476 CA ARG B 58 10.907 -7.218 -6.485 1.00 0.00 C ATOM 2477 C ARG B 58 10.602 -5.723 -6.476 1.00 0.00 C ATOM 2478 O ARG B 58 10.246 -5.148 -7.504 1.00 0.00 O ATOM 2479 CB ARG B 58 9.831 -7.979 -5.705 1.00 0.00 C ATOM 2480 CG ARG B 58 9.141 -9.060 -6.521 1.00 0.00 C ATOM 2481 CD ARG B 58 8.091 -9.795 -5.701 1.00 0.00 C ATOM 2482 NE ARG B 58 7.050 -10.380 -6.545 1.00 0.00 N ATOM 2483 CZ ARG B 58 6.275 -11.396 -6.171 1.00 0.00 C ATOM 2484 NH1 ARG B 58 6.410 -11.938 -4.967 1.00 0.00 N ATOM 2485 NH2 ARG B 58 5.358 -11.870 -7.004 1.00 0.00 N ATOM 0 H ARG B 58 12.225 -8.103 -5.113 1.00 0.00 H new ATOM 0 HA ARG B 58 10.904 -7.563 -7.519 1.00 0.00 H new ATOM 0 HB2 ARG B 58 10.285 -8.434 -4.825 1.00 0.00 H new ATOM 0 HB3 ARG B 58 9.083 -7.271 -5.348 1.00 0.00 H new ATOM 0 HG2 ARG B 58 8.672 -8.612 -7.397 1.00 0.00 H new ATOM 0 HG3 ARG B 58 9.883 -9.771 -6.885 1.00 0.00 H new ATOM 0 HD2 ARG B 58 8.571 -10.582 -5.119 1.00 0.00 H new ATOM 0 HD3 ARG B 58 7.637 -9.104 -4.991 1.00 0.00 H new ATOM 0 HE ARG B 58 6.909 -9.986 -7.475 1.00 0.00 H new ATOM 0 HH11 ARG B 58 7.111 -11.576 -4.321 1.00 0.00 H new ATOM 0 HH12 ARG B 58 5.812 -12.716 -4.688 1.00 0.00 H new ATOM 0 HH21 ARG B 58 5.247 -11.456 -7.930 1.00 0.00 H new ATOM 0 HH22 ARG B 58 4.764 -12.648 -6.719 1.00 0.00 H new ATOM 2498 N MET B 59 10.741 -5.099 -5.309 1.00 0.00 N ATOM 2499 CA MET B 59 10.476 -3.669 -5.177 1.00 0.00 C ATOM 2500 C MET B 59 11.308 -2.866 -6.166 1.00 0.00 C ATOM 2501 O MET B 59 10.778 -2.059 -6.927 1.00 0.00 O ATOM 2502 CB MET B 59 10.756 -3.199 -3.742 1.00 0.00 C ATOM 2503 CG MET B 59 12.205 -2.807 -3.453 1.00 0.00 C ATOM 2504 SD MET B 59 12.437 -2.108 -1.804 1.00 0.00 S ATOM 2505 CE MET B 59 11.164 -2.969 -0.892 1.00 0.00 C ATOM 0 H MET B 59 11.034 -5.558 -4.446 1.00 0.00 H new ATOM 0 HA MET B 59 9.423 -3.501 -5.401 1.00 0.00 H new ATOM 0 HB2 MET B 59 10.116 -2.344 -3.526 1.00 0.00 H new ATOM 0 HB3 MET B 59 10.468 -3.994 -3.054 1.00 0.00 H new ATOM 0 HG2 MET B 59 12.841 -3.686 -3.561 1.00 0.00 H new ATOM 0 HG3 MET B 59 12.534 -2.082 -4.198 1.00 0.00 H new ATOM 0 HE1 MET B 59 10.527 -2.245 -0.385 1.00 0.00 H new ATOM 0 HE2 MET B 59 10.562 -3.563 -1.580 1.00 0.00 H new ATOM 0 HE3 MET B 59 11.626 -3.625 -0.154 1.00 0.00 H new ATOM 2515 N MET B 60 12.612 -3.094 -6.135 1.00 0.00 N ATOM 2516 CA MET B 60 13.538 -2.391 -7.013 1.00 0.00 C ATOM 2517 C MET B 60 13.143 -2.539 -8.478 1.00 0.00 C ATOM 2518 O MET B 60 13.267 -1.598 -9.261 1.00 0.00 O ATOM 2519 CB MET B 60 14.958 -2.904 -6.786 1.00 0.00 C ATOM 2520 CG MET B 60 15.532 -2.482 -5.445 1.00 0.00 C ATOM 2521 SD MET B 60 16.762 -1.172 -5.598 1.00 0.00 S ATOM 2522 CE MET B 60 15.942 -0.083 -6.759 1.00 0.00 C ATOM 0 H MET B 60 13.056 -3.764 -5.508 1.00 0.00 H new ATOM 0 HA MET B 60 13.497 -1.329 -6.770 1.00 0.00 H new ATOM 0 HB2 MET B 60 14.960 -3.992 -6.850 1.00 0.00 H new ATOM 0 HB3 MET B 60 15.604 -2.536 -7.584 1.00 0.00 H new ATOM 0 HG2 MET B 60 14.723 -2.142 -4.799 1.00 0.00 H new ATOM 0 HG3 MET B 60 15.986 -3.346 -4.960 1.00 0.00 H new ATOM 0 HE1 MET B 60 16.553 0.806 -6.918 1.00 0.00 H new ATOM 0 HE2 MET B 60 15.802 -0.601 -7.708 1.00 0.00 H new ATOM 0 HE3 MET B 60 14.971 0.210 -6.359 1.00 0.00 H new ATOM 2670 N GLN B 70 13.020 10.575 -8.629 1.00 0.00 N ATOM 2671 CA GLN B 70 13.009 10.100 -7.250 1.00 0.00 C ATOM 2672 C GLN B 70 11.956 9.015 -7.043 1.00 0.00 C ATOM 2673 O GLN B 70 11.269 8.619 -7.984 1.00 0.00 O ATOM 2674 CB GLN B 70 12.751 11.270 -6.297 1.00 0.00 C ATOM 2675 CG GLN B 70 14.020 11.954 -5.814 1.00 0.00 C ATOM 2676 CD GLN B 70 14.720 11.156 -4.736 1.00 0.00 C ATOM 2677 OE1 GLN B 70 15.331 10.044 -5.127 1.00 0.00 O flip ATOM 2678 NE2 GLN B 70 14.713 11.533 -3.564 1.00 0.00 N flip ATOM 0 HA GLN B 70 13.985 9.665 -7.035 1.00 0.00 H new ATOM 0 HB2 GLN B 70 12.121 12.004 -6.799 1.00 0.00 H new ATOM 0 HB3 GLN B 70 12.192 10.908 -5.434 1.00 0.00 H new ATOM 0 HG2 GLN B 70 14.697 12.098 -6.656 1.00 0.00 H new ATOM 0 HG3 GLN B 70 13.774 12.944 -5.430 1.00 0.00 H new ATOM 0 HE21 GLN B 70 14.231 12.395 -3.308 1.00 0.00 H new ATOM 0 HE22 GLN B 70 15.190 10.984 -2.849 1.00 0.00 H new ATOM 2687 N LEU B 71 11.832 8.543 -5.802 1.00 0.00 N ATOM 2688 CA LEU B 71 10.857 7.513 -5.472 1.00 0.00 C ATOM 2689 C LEU B 71 9.441 8.067 -5.690 1.00 0.00 C ATOM 2690 O LEU B 71 9.186 8.692 -6.720 1.00 0.00 O ATOM 2691 CB LEU B 71 11.084 7.023 -4.028 1.00 0.00 C ATOM 2692 CG LEU B 71 11.769 5.657 -3.868 1.00 0.00 C ATOM 2693 CD1 LEU B 71 10.730 4.565 -3.657 1.00 0.00 C ATOM 2694 CD2 LEU B 71 12.665 5.337 -5.058 1.00 0.00 C ATOM 0 H LEU B 71 12.395 8.859 -5.013 1.00 0.00 H new ATOM 0 HA LEU B 71 10.978 6.649 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU B 71 11.683 7.768 -3.505 1.00 0.00 H new ATOM 0 HB3 LEU B 71 10.117 6.981 -3.526 1.00 0.00 H new ATOM 0 HG LEU B 71 12.408 5.702 -2.986 1.00 0.00 H new ATOM 0 HD11 LEU B 71 11.231 3.603 -3.545 1.00 0.00 H new ATOM 0 HD12 LEU B 71 10.153 4.780 -2.758 1.00 0.00 H new ATOM 0 HD13 LEU B 71 10.061 4.528 -4.517 1.00 0.00 H new ATOM 0 HD21 LEU B 71 13.133 4.364 -4.910 1.00 0.00 H new ATOM 0 HD22 LEU B 71 12.067 5.317 -5.969 1.00 0.00 H new ATOM 0 HD23 LEU B 71 13.437 6.101 -5.148 1.00 0.00 H new ATOM 2706 N ASP B 72 8.518 7.865 -4.745 1.00 0.00 N ATOM 2707 CA ASP B 72 7.159 8.381 -4.904 1.00 0.00 C ATOM 2708 C ASP B 72 6.257 7.936 -3.761 1.00 0.00 C ATOM 2709 O ASP B 72 6.724 7.398 -2.757 1.00 0.00 O ATOM 2710 CB ASP B 72 6.562 7.925 -6.238 1.00 0.00 C ATOM 2711 CG ASP B 72 5.781 9.027 -6.928 1.00 0.00 C ATOM 2712 OD1 ASP B 72 6.101 10.212 -6.703 1.00 0.00 O ATOM 2713 OD2 ASP B 72 4.848 8.702 -7.693 1.00 0.00 O ATOM 0 H ASP B 72 8.684 7.356 -3.877 1.00 0.00 H new ATOM 0 HA ASP B 72 7.220 9.469 -4.890 1.00 0.00 H new ATOM 0 HB2 ASP B 72 7.363 7.585 -6.894 1.00 0.00 H new ATOM 0 HB3 ASP B 72 5.907 7.071 -6.067 1.00 0.00 H new ATOM 2718 N PHE B 73 4.958 8.170 -3.922 1.00 0.00 N ATOM 2719 CA PHE B 73 3.984 7.803 -2.905 1.00 0.00 C ATOM 2720 C PHE B 73 3.756 6.294 -2.867 1.00 0.00 C ATOM 2721 O PHE B 73 3.983 5.659 -1.836 1.00 0.00 O ATOM 2722 CB PHE B 73 2.664 8.540 -3.132 1.00 0.00 C ATOM 2723 CG PHE B 73 1.944 8.131 -4.386 1.00 0.00 C ATOM 2724 CD1 PHE B 73 2.311 8.654 -5.616 1.00 0.00 C ATOM 2725 CD2 PHE B 73 0.900 7.222 -4.332 1.00 0.00 C ATOM 2726 CE1 PHE B 73 1.650 8.278 -6.769 1.00 0.00 C ATOM 2727 CE2 PHE B 73 0.236 6.841 -5.483 1.00 0.00 C ATOM 2728 CZ PHE B 73 0.612 7.369 -6.703 1.00 0.00 C ATOM 0 H PHE B 73 4.557 8.613 -4.749 1.00 0.00 H new ATOM 0 HA PHE B 73 4.388 8.102 -1.938 1.00 0.00 H new ATOM 0 HB2 PHE B 73 2.011 8.366 -2.277 1.00 0.00 H new ATOM 0 HB3 PHE B 73 2.860 9.612 -3.171 1.00 0.00 H new ATOM 0 HD1 PHE B 73 3.123 9.364 -5.674 1.00 0.00 H new ATOM 0 HD2 PHE B 73 0.602 6.807 -3.381 1.00 0.00 H new ATOM 0 HE1 PHE B 73 1.944 8.694 -7.721 1.00 0.00 H new ATOM 0 HE2 PHE B 73 -0.576 6.131 -5.429 1.00 0.00 H new ATOM 0 HZ PHE B 73 0.095 7.072 -7.604 1.00 0.00 H new ATOM 2738 N GLN B 74 3.323 5.709 -3.984 1.00 0.00 N ATOM 2739 CA GLN B 74 3.099 4.273 -4.016 1.00 0.00 C ATOM 2740 C GLN B 74 4.414 3.545 -4.203 1.00 0.00 C ATOM 2741 O GLN B 74 4.552 2.404 -3.784 1.00 0.00 O ATOM 2742 CB GLN B 74 2.112 3.855 -5.103 1.00 0.00 C ATOM 2743 CG GLN B 74 1.301 2.621 -4.716 1.00 0.00 C ATOM 2744 CD GLN B 74 1.717 1.368 -5.469 1.00 0.00 C ATOM 2745 OE1 GLN B 74 2.178 0.344 -4.743 1.00 0.00 O flip ATOM 2746 NE2 GLN B 74 1.627 1.316 -6.696 1.00 0.00 N flip ATOM 0 H GLN B 74 3.126 6.198 -4.857 1.00 0.00 H new ATOM 0 HA GLN B 74 2.657 3.998 -3.058 1.00 0.00 H new ATOM 0 HB2 GLN B 74 1.432 4.682 -5.309 1.00 0.00 H new ATOM 0 HB3 GLN B 74 2.657 3.653 -6.025 1.00 0.00 H new ATOM 0 HG2 GLN B 74 1.408 2.446 -3.646 1.00 0.00 H new ATOM 0 HG3 GLN B 74 0.245 2.815 -4.903 1.00 0.00 H new ATOM 0 HE21 GLN B 74 1.270 2.118 -7.216 1.00 0.00 H new ATOM 0 HE22 GLN B 74 1.909 0.471 -7.193 1.00 0.00 H new ATOM 2755 N GLU B 75 5.396 4.215 -4.809 1.00 0.00 N ATOM 2756 CA GLU B 75 6.707 3.609 -5.003 1.00 0.00 C ATOM 2757 C GLU B 75 7.136 2.919 -3.716 1.00 0.00 C ATOM 2758 O GLU B 75 7.795 1.882 -3.735 1.00 0.00 O ATOM 2759 CB GLU B 75 7.725 4.676 -5.398 1.00 0.00 C ATOM 2760 CG GLU B 75 7.899 4.831 -6.899 1.00 0.00 C ATOM 2761 CD GLU B 75 6.601 4.674 -7.672 1.00 0.00 C ATOM 2762 OE1 GLU B 75 5.565 5.187 -7.201 1.00 0.00 O ATOM 2763 OE2 GLU B 75 6.624 4.036 -8.745 1.00 0.00 O ATOM 0 H GLU B 75 5.307 5.165 -5.169 1.00 0.00 H new ATOM 0 HA GLU B 75 6.652 2.873 -5.805 1.00 0.00 H new ATOM 0 HB2 GLU B 75 7.417 5.633 -4.977 1.00 0.00 H new ATOM 0 HB3 GLU B 75 8.689 4.428 -4.954 1.00 0.00 H new ATOM 0 HG2 GLU B 75 8.323 5.813 -7.109 1.00 0.00 H new ATOM 0 HG3 GLU B 75 8.617 4.091 -7.253 1.00 0.00 H new ATOM 2770 N PHE B 76 6.710 3.501 -2.599 1.00 0.00 N ATOM 2771 CA PHE B 76 6.993 2.955 -1.287 1.00 0.00 C ATOM 2772 C PHE B 76 6.025 1.821 -0.988 1.00 0.00 C ATOM 2773 O PHE B 76 6.436 0.707 -0.676 1.00 0.00 O ATOM 2774 CB PHE B 76 6.860 4.044 -0.229 1.00 0.00 C ATOM 2775 CG PHE B 76 7.908 3.969 0.843 1.00 0.00 C ATOM 2776 CD1 PHE B 76 7.741 3.134 1.933 1.00 0.00 C ATOM 2777 CD2 PHE B 76 9.059 4.736 0.759 1.00 0.00 C ATOM 2778 CE1 PHE B 76 8.701 3.064 2.923 1.00 0.00 C ATOM 2779 CE2 PHE B 76 10.024 4.670 1.746 1.00 0.00 C ATOM 2780 CZ PHE B 76 9.845 3.833 2.829 1.00 0.00 C ATOM 0 H PHE B 76 6.161 4.361 -2.583 1.00 0.00 H new ATOM 0 HA PHE B 76 8.013 2.571 -1.271 1.00 0.00 H new ATOM 0 HB2 PHE B 76 6.916 5.019 -0.713 1.00 0.00 H new ATOM 0 HB3 PHE B 76 5.875 3.973 0.232 1.00 0.00 H new ATOM 0 HD1 PHE B 76 6.849 2.530 2.011 1.00 0.00 H new ATOM 0 HD2 PHE B 76 9.203 5.392 -0.087 1.00 0.00 H new ATOM 0 HE1 PHE B 76 8.558 2.409 3.770 1.00 0.00 H new ATOM 0 HE2 PHE B 76 10.917 5.273 1.670 1.00 0.00 H new ATOM 0 HZ PHE B 76 10.598 3.779 3.601 1.00 0.00 H new ATOM 2790 N LEU B 77 4.730 2.110 -1.103 1.00 0.00 N ATOM 2791 CA LEU B 77 3.702 1.107 -0.864 1.00 0.00 C ATOM 2792 C LEU B 77 3.922 -0.090 -1.781 1.00 0.00 C ATOM 2793 O LEU B 77 3.671 -1.231 -1.404 1.00 0.00 O ATOM 2794 CB LEU B 77 2.311 1.707 -1.074 1.00 0.00 C ATOM 2795 CG LEU B 77 1.645 2.220 0.204 1.00 0.00 C ATOM 2796 CD1 LEU B 77 0.453 3.109 -0.122 1.00 0.00 C ATOM 2797 CD2 LEU B 77 1.229 1.053 1.083 1.00 0.00 C ATOM 0 H LEU B 77 4.371 3.030 -1.360 1.00 0.00 H new ATOM 0 HA LEU B 77 3.770 0.769 0.170 1.00 0.00 H new ATOM 0 HB2 LEU B 77 2.387 2.530 -1.785 1.00 0.00 H new ATOM 0 HB3 LEU B 77 1.668 0.953 -1.527 1.00 0.00 H new ATOM 0 HG LEU B 77 2.368 2.824 0.752 1.00 0.00 H new ATOM 0 HD11 LEU B 77 -0.003 3.461 0.804 1.00 0.00 H new ATOM 0 HD12 LEU B 77 0.787 3.964 -0.710 1.00 0.00 H new ATOM 0 HD13 LEU B 77 -0.280 2.540 -0.694 1.00 0.00 H new ATOM 0 HD21 LEU B 77 0.756 1.431 1.990 1.00 0.00 H new ATOM 0 HD22 LEU B 77 0.524 0.423 0.541 1.00 0.00 H new ATOM 0 HD23 LEU B 77 2.108 0.467 1.350 1.00 0.00 H new ATOM 2809 N ASN B 78 4.422 0.183 -2.980 1.00 0.00 N ATOM 2810 CA ASN B 78 4.720 -0.862 -3.948 1.00 0.00 C ATOM 2811 C ASN B 78 5.990 -1.578 -3.516 1.00 0.00 C ATOM 2812 O ASN B 78 6.083 -2.803 -3.577 1.00 0.00 O ATOM 2813 CB ASN B 78 4.886 -0.261 -5.356 1.00 0.00 C ATOM 2814 CG ASN B 78 6.092 -0.802 -6.107 1.00 0.00 C ATOM 2815 OD1 ASN B 78 6.292 -2.013 -6.189 1.00 0.00 O ATOM 2816 ND2 ASN B 78 6.900 0.098 -6.655 1.00 0.00 N ATOM 0 H ASN B 78 4.630 1.127 -3.306 1.00 0.00 H new ATOM 0 HA ASN B 78 3.896 -1.574 -3.987 1.00 0.00 H new ATOM 0 HB2 ASN B 78 3.986 -0.462 -5.937 1.00 0.00 H new ATOM 0 HB3 ASN B 78 4.976 0.822 -5.272 1.00 0.00 H new ATOM 0 HD21 ASN B 78 7.727 -0.205 -7.170 1.00 0.00 H new ATOM 0 HD22 ASN B 78 6.694 1.093 -6.561 1.00 0.00 H new ATOM 2823 N LEU B 79 6.964 -0.790 -3.070 1.00 0.00 N ATOM 2824 CA LEU B 79 8.229 -1.333 -2.614 1.00 0.00 C ATOM 2825 C LEU B 79 8.019 -2.165 -1.352 1.00 0.00 C ATOM 2826 O LEU B 79 8.349 -3.347 -1.322 1.00 0.00 O ATOM 2827 CB LEU B 79 9.235 -0.199 -2.351 1.00 0.00 C ATOM 2828 CG LEU B 79 10.222 0.125 -3.495 1.00 0.00 C ATOM 2829 CD1 LEU B 79 9.583 -0.020 -4.863 1.00 0.00 C ATOM 2830 CD2 LEU B 79 10.773 1.536 -3.346 1.00 0.00 C ATOM 0 H LEU B 79 6.897 0.226 -3.017 1.00 0.00 H new ATOM 0 HA LEU B 79 8.635 -1.978 -3.393 1.00 0.00 H new ATOM 0 HB2 LEU B 79 8.675 0.706 -2.117 1.00 0.00 H new ATOM 0 HB3 LEU B 79 9.813 -0.455 -1.463 1.00 0.00 H new ATOM 0 HG LEU B 79 11.034 -0.598 -3.421 1.00 0.00 H new ATOM 0 HD11 LEU B 79 10.316 0.218 -5.634 1.00 0.00 H new ATOM 0 HD12 LEU B 79 9.236 -1.045 -4.996 1.00 0.00 H new ATOM 0 HD13 LEU B 79 8.737 0.662 -4.944 1.00 0.00 H new ATOM 0 HD21 LEU B 79 11.466 1.744 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU B 79 9.952 2.252 -3.376 1.00 0.00 H new ATOM 0 HD23 LEU B 79 11.296 1.624 -2.394 1.00 0.00 H new ATOM 2842 N ILE B 80 7.452 -1.543 -0.319 1.00 0.00 N ATOM 2843 CA ILE B 80 7.184 -2.230 0.939 1.00 0.00 C ATOM 2844 C ILE B 80 6.028 -3.210 0.788 1.00 0.00 C ATOM 2845 O ILE B 80 6.106 -4.348 1.248 1.00 0.00 O ATOM 2846 CB ILE B 80 6.894 -1.250 2.098 1.00 0.00 C ATOM 2847 CG1 ILE B 80 7.116 -1.949 3.435 1.00 0.00 C ATOM 2848 CG2 ILE B 80 5.478 -0.715 2.029 1.00 0.00 C ATOM 2849 CD1 ILE B 80 5.963 -2.846 3.842 1.00 0.00 C ATOM 0 H ILE B 80 7.170 -0.563 -0.331 1.00 0.00 H new ATOM 0 HA ILE B 80 8.091 -2.779 1.191 1.00 0.00 H new ATOM 0 HB ILE B 80 7.579 -0.407 2.005 1.00 0.00 H new ATOM 0 HG12 ILE B 80 8.028 -2.544 3.379 1.00 0.00 H new ATOM 0 HG13 ILE B 80 7.273 -1.197 4.208 1.00 0.00 H new ATOM 0 HG21 ILE B 80 5.307 -0.029 2.859 1.00 0.00 H new ATOM 0 HG22 ILE B 80 5.334 -0.187 1.086 1.00 0.00 H new ATOM 0 HG23 ILE B 80 4.773 -1.543 2.092 1.00 0.00 H new ATOM 0 HD11 ILE B 80 6.186 -3.312 4.802 1.00 0.00 H new ATOM 0 HD12 ILE B 80 5.053 -2.252 3.930 1.00 0.00 H new ATOM 0 HD13 ILE B 80 5.820 -3.620 3.087 1.00 0.00 H new ATOM 2861 N GLY B 81 4.957 -2.770 0.126 1.00 0.00 N ATOM 2862 CA GLY B 81 3.816 -3.644 -0.079 1.00 0.00 C ATOM 2863 C GLY B 81 4.248 -4.952 -0.696 1.00 0.00 C ATOM 2864 O GLY B 81 3.920 -6.025 -0.194 1.00 0.00 O ATOM 0 H GLY B 81 4.861 -1.834 -0.267 1.00 0.00 H new ATOM 0 HA2 GLY B 81 3.320 -3.832 0.873 1.00 0.00 H new ATOM 0 HA3 GLY B 81 3.088 -3.154 -0.726 1.00 0.00 H new ATOM 2868 N GLY B 82 5.018 -4.856 -1.777 1.00 0.00 N ATOM 2869 CA GLY B 82 5.519 -6.056 -2.428 1.00 0.00 C ATOM 2870 C GLY B 82 6.202 -6.987 -1.438 1.00 0.00 C ATOM 2871 O GLY B 82 6.030 -8.203 -1.503 1.00 0.00 O ATOM 0 H GLY B 82 5.302 -3.978 -2.211 1.00 0.00 H new ATOM 0 HA2 GLY B 82 4.694 -6.580 -2.911 1.00 0.00 H new ATOM 0 HA3 GLY B 82 6.223 -5.778 -3.212 1.00 0.00 H new ATOM 2875 N LEU B 83 6.965 -6.415 -0.505 1.00 0.00 N ATOM 2876 CA LEU B 83 7.644 -7.217 0.511 1.00 0.00 C ATOM 2877 C LEU B 83 6.629 -8.011 1.321 1.00 0.00 C ATOM 2878 O LEU B 83 6.805 -9.205 1.555 1.00 0.00 O ATOM 2879 CB LEU B 83 8.463 -6.330 1.447 1.00 0.00 C ATOM 2880 CG LEU B 83 9.181 -5.171 0.766 1.00 0.00 C ATOM 2881 CD1 LEU B 83 10.123 -4.478 1.737 1.00 0.00 C ATOM 2882 CD2 LEU B 83 9.933 -5.661 -0.461 1.00 0.00 C ATOM 0 H LEU B 83 7.127 -5.410 -0.433 1.00 0.00 H new ATOM 0 HA LEU B 83 8.318 -7.905 0.001 1.00 0.00 H new ATOM 0 HB2 LEU B 83 7.802 -5.928 2.215 1.00 0.00 H new ATOM 0 HB3 LEU B 83 9.203 -6.948 1.955 1.00 0.00 H new ATOM 0 HG LEU B 83 8.435 -4.444 0.443 1.00 0.00 H new ATOM 0 HD11 LEU B 83 10.626 -3.654 1.231 1.00 0.00 H new ATOM 0 HD12 LEU B 83 9.554 -4.092 2.583 1.00 0.00 H new ATOM 0 HD13 LEU B 83 10.866 -5.191 2.095 1.00 0.00 H new ATOM 0 HD21 LEU B 83 10.440 -4.821 -0.936 1.00 0.00 H new ATOM 0 HD22 LEU B 83 10.669 -6.408 -0.163 1.00 0.00 H new ATOM 0 HD23 LEU B 83 9.230 -6.106 -1.165 1.00 0.00 H new ATOM 2894 N ALA B 84 5.561 -7.339 1.746 1.00 0.00 N ATOM 2895 CA ALA B 84 4.516 -7.992 2.530 1.00 0.00 C ATOM 2896 C ALA B 84 3.963 -9.206 1.805 1.00 0.00 C ATOM 2897 O ALA B 84 3.574 -10.197 2.424 1.00 0.00 O ATOM 2898 CB ALA B 84 3.382 -7.029 2.801 1.00 0.00 C ATOM 0 H ALA B 84 5.397 -6.349 1.562 1.00 0.00 H new ATOM 0 HA ALA B 84 4.965 -8.312 3.470 1.00 0.00 H new ATOM 0 HB1 ALA B 84 2.611 -7.530 3.386 1.00 0.00 H new ATOM 0 HB2 ALA B 84 3.759 -6.170 3.357 1.00 0.00 H new ATOM 0 HB3 ALA B 84 2.958 -6.691 1.855 1.00 0.00 H new ATOM 2904 N VAL B 85 3.921 -9.108 0.489 1.00 0.00 N ATOM 2905 CA VAL B 85 3.404 -10.183 -0.345 1.00 0.00 C ATOM 2906 C VAL B 85 4.461 -11.242 -0.594 1.00 0.00 C ATOM 2907 O VAL B 85 4.154 -12.358 -1.014 1.00 0.00 O ATOM 2908 CB VAL B 85 2.848 -9.679 -1.701 1.00 0.00 C ATOM 2909 CG1 VAL B 85 1.383 -10.046 -1.814 1.00 0.00 C ATOM 2910 CG2 VAL B 85 3.022 -8.175 -1.879 1.00 0.00 C ATOM 0 H VAL B 85 4.240 -8.290 -0.030 1.00 0.00 H new ATOM 0 HA VAL B 85 2.575 -10.620 0.212 1.00 0.00 H new ATOM 0 HB VAL B 85 3.420 -10.164 -2.492 1.00 0.00 H new ATOM 0 HG11 VAL B 85 0.992 -9.692 -2.768 1.00 0.00 H new ATOM 0 HG12 VAL B 85 1.274 -11.129 -1.757 1.00 0.00 H new ATOM 0 HG13 VAL B 85 0.828 -9.582 -0.999 1.00 0.00 H new ATOM 0 HG21 VAL B 85 2.616 -7.874 -2.845 1.00 0.00 H new ATOM 0 HG22 VAL B 85 2.493 -7.651 -1.083 1.00 0.00 H new ATOM 0 HG23 VAL B 85 4.082 -7.924 -1.836 1.00 0.00 H new ATOM 2920 N ALA B 86 5.709 -10.882 -0.349 1.00 0.00 N ATOM 2921 CA ALA B 86 6.817 -11.789 -0.561 1.00 0.00 C ATOM 2922 C ALA B 86 7.546 -12.109 0.740 1.00 0.00 C ATOM 2923 O ALA B 86 8.639 -12.672 0.720 1.00 0.00 O ATOM 2924 CB ALA B 86 7.768 -11.163 -1.548 1.00 0.00 C ATOM 0 H ALA B 86 5.978 -9.962 -0.001 1.00 0.00 H new ATOM 0 HA ALA B 86 6.428 -12.730 -0.950 1.00 0.00 H new ATOM 0 HB1 ALA B 86 8.609 -11.835 -1.719 1.00 0.00 H new ATOM 0 HB2 ALA B 86 7.249 -10.984 -2.490 1.00 0.00 H new ATOM 0 HB3 ALA B 86 8.134 -10.217 -1.150 1.00 0.00 H new ATOM 2930 N CYS B 87 6.949 -11.741 1.869 1.00 0.00 N ATOM 2931 CA CYS B 87 7.577 -11.994 3.158 1.00 0.00 C ATOM 2932 C CYS B 87 6.551 -12.134 4.279 1.00 0.00 C ATOM 2933 O CYS B 87 6.716 -12.970 5.168 1.00 0.00 O ATOM 2934 CB CYS B 87 8.560 -10.871 3.493 1.00 0.00 C ATOM 2935 SG CYS B 87 9.646 -11.236 4.891 1.00 0.00 S ATOM 0 H CYS B 87 6.044 -11.273 1.917 1.00 0.00 H new ATOM 0 HA CYS B 87 8.112 -12.941 3.079 1.00 0.00 H new ATOM 0 HB2 CYS B 87 9.172 -10.664 2.615 1.00 0.00 H new ATOM 0 HB3 CYS B 87 7.998 -9.963 3.711 1.00 0.00 H new ATOM 0 HG CYS B 87 10.850 -10.825 4.624 1.00 0.00 H new ATOM 2941 N HIS B 88 5.502 -11.313 4.256 1.00 0.00 N ATOM 2942 CA HIS B 88 4.489 -11.381 5.310 1.00 0.00 C ATOM 2943 C HIS B 88 3.369 -12.363 4.961 1.00 0.00 C ATOM 2944 O HIS B 88 3.407 -13.522 5.372 1.00 0.00 O ATOM 2945 CB HIS B 88 3.916 -9.992 5.610 1.00 0.00 C ATOM 2946 CG HIS B 88 4.174 -9.535 7.014 1.00 0.00 C ATOM 2947 ND1 HIS B 88 3.488 -8.497 7.608 1.00 0.00 N ATOM 2948 CD2 HIS B 88 5.048 -9.985 7.945 1.00 0.00 C ATOM 2949 CE1 HIS B 88 3.928 -8.328 8.842 1.00 0.00 C ATOM 2950 NE2 HIS B 88 4.875 -9.219 9.072 1.00 0.00 N ATOM 0 H HIS B 88 5.332 -10.609 3.538 1.00 0.00 H new ATOM 0 HA HIS B 88 4.983 -11.752 6.208 1.00 0.00 H new ATOM 0 HB2 HIS B 88 4.347 -9.271 4.916 1.00 0.00 H new ATOM 0 HB3 HIS B 88 2.841 -10.004 5.431 1.00 0.00 H new ATOM 0 HD2 HIS B 88 5.751 -10.796 7.824 1.00 0.00 H new ATOM 0 HE1 HIS B 88 3.574 -7.587 9.543 1.00 0.00 H new ATOM 0 HE2 HIS B 88 5.394 -9.322 9.944 1.00 0.00 H new ATOM 2959 N GLU B 89 2.370 -11.899 4.216 1.00 0.00 N ATOM 2960 CA GLU B 89 1.247 -12.751 3.838 1.00 0.00 C ATOM 2961 C GLU B 89 0.934 -12.618 2.354 1.00 0.00 C ATOM 2962 O GLU B 89 1.559 -11.829 1.648 1.00 0.00 O ATOM 2963 CB GLU B 89 0.011 -12.399 4.669 1.00 0.00 C ATOM 2964 CG GLU B 89 -0.714 -13.614 5.226 1.00 0.00 C ATOM 2965 CD GLU B 89 -0.801 -13.599 6.740 1.00 0.00 C ATOM 2966 OE1 GLU B 89 0.249 -13.761 7.397 1.00 0.00 O ATOM 2967 OE2 GLU B 89 -1.920 -13.426 7.268 1.00 0.00 O ATOM 0 H GLU B 89 2.315 -10.943 3.864 1.00 0.00 H new ATOM 0 HA GLU B 89 1.527 -13.786 4.036 1.00 0.00 H new ATOM 0 HB2 GLU B 89 0.311 -11.755 5.495 1.00 0.00 H new ATOM 0 HB3 GLU B 89 -0.680 -11.825 4.052 1.00 0.00 H new ATOM 0 HG2 GLU B 89 -1.720 -13.655 4.809 1.00 0.00 H new ATOM 0 HG3 GLU B 89 -0.198 -14.519 4.904 1.00 0.00 H new ATOM 2974 N SER B 90 -0.038 -13.395 1.886 1.00 0.00 N ATOM 2975 CA SER B 90 -0.430 -13.364 0.483 1.00 0.00 C ATOM 2976 C SER B 90 0.740 -13.758 -0.411 1.00 0.00 C ATOM 2977 O SER B 90 1.737 -13.041 -0.494 1.00 0.00 O ATOM 2978 CB SER B 90 -0.933 -11.970 0.102 1.00 0.00 C ATOM 2979 OG SER B 90 -2.088 -11.623 0.845 1.00 0.00 O ATOM 0 H SER B 90 -0.568 -14.053 2.458 1.00 0.00 H new ATOM 0 HA SER B 90 -1.236 -14.083 0.338 1.00 0.00 H new ATOM 0 HB2 SER B 90 -0.148 -11.235 0.281 1.00 0.00 H new ATOM 0 HB3 SER B 90 -1.160 -11.941 -0.964 1.00 0.00 H new ATOM 0 HG SER B 90 -2.295 -10.676 0.704 1.00 0.00 H new ATOM 2985 N PHE B 91 0.616 -14.906 -1.074 1.00 0.00 N ATOM 2986 CA PHE B 91 1.664 -15.409 -1.963 1.00 0.00 C ATOM 2987 C PHE B 91 2.828 -16.002 -1.167 1.00 0.00 C ATOM 2988 O PHE B 91 3.271 -17.117 -1.444 1.00 0.00 O ATOM 2989 CB PHE B 91 2.168 -14.300 -2.894 1.00 0.00 C ATOM 2990 CG PHE B 91 1.919 -14.582 -4.348 1.00 0.00 C ATOM 2991 CD1 PHE B 91 0.641 -14.866 -4.803 1.00 0.00 C ATOM 2992 CD2 PHE B 91 2.962 -14.565 -5.260 1.00 0.00 C ATOM 2993 CE1 PHE B 91 0.409 -15.126 -6.140 1.00 0.00 C ATOM 2994 CE2 PHE B 91 2.736 -14.824 -6.599 1.00 0.00 C ATOM 2995 CZ PHE B 91 1.457 -15.105 -7.039 1.00 0.00 C ATOM 0 H PHE B 91 -0.204 -15.509 -1.012 1.00 0.00 H new ATOM 0 HA PHE B 91 1.228 -16.202 -2.571 1.00 0.00 H new ATOM 0 HB2 PHE B 91 1.682 -13.362 -2.625 1.00 0.00 H new ATOM 0 HB3 PHE B 91 3.238 -14.162 -2.736 1.00 0.00 H new ATOM 0 HD1 PHE B 91 -0.183 -14.884 -4.105 1.00 0.00 H new ATOM 0 HD2 PHE B 91 3.964 -14.347 -4.921 1.00 0.00 H new ATOM 0 HE1 PHE B 91 -0.592 -15.346 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE B 91 3.558 -14.807 -7.300 1.00 0.00 H new ATOM 0 HZ PHE B 91 1.277 -15.308 -8.084 1.00 0.00 H new ATOM 3005 N VAL B 92 3.320 -15.254 -0.179 1.00 0.00 N ATOM 3006 CA VAL B 92 4.431 -15.706 0.657 1.00 0.00 C ATOM 3007 C VAL B 92 4.268 -17.165 1.067 1.00 0.00 C ATOM 3008 O VAL B 92 5.162 -17.987 0.861 1.00 0.00 O ATOM 3009 CB VAL B 92 4.559 -14.846 1.929 1.00 0.00 C ATOM 3010 CG1 VAL B 92 5.798 -15.235 2.718 1.00 0.00 C ATOM 3011 CG2 VAL B 92 4.586 -13.369 1.574 1.00 0.00 C ATOM 0 H VAL B 92 2.964 -14.329 0.062 1.00 0.00 H new ATOM 0 HA VAL B 92 5.334 -15.602 0.055 1.00 0.00 H new ATOM 0 HB VAL B 92 3.687 -15.030 2.557 1.00 0.00 H new ATOM 0 HG11 VAL B 92 5.869 -14.616 3.612 1.00 0.00 H new ATOM 0 HG12 VAL B 92 5.731 -16.284 3.007 1.00 0.00 H new ATOM 0 HG13 VAL B 92 6.684 -15.085 2.101 1.00 0.00 H new ATOM 0 HG21 VAL B 92 4.677 -12.777 2.485 1.00 0.00 H new ATOM 0 HG22 VAL B 92 5.437 -13.167 0.924 1.00 0.00 H new ATOM 0 HG23 VAL B 92 3.664 -13.102 1.058 1.00 0.00 H new