USER MOD reduce.3.24.130724 H: found=0, std=0, add=953, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 953 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 GLN : amide:sc= -0.648 K(o=-1.1,f=-3.6!) USER MOD Set 1.2: A 125 CYS SG : rot 180:sc= -0.498 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 24 LYS NZ :NH3+ -166:sc= -0.0317 (180deg=-0.26) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 MET CE :methyl -156:sc= -1.24 (180deg=-1.99) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 TYR OH : rot 153:sc= 1.17 USER MOD Single : A 39 GLN : amide:sc= -0.232 K(o=-0.23,f=-0.84) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 47 SER OG : rot 175:sc= 0.473 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 164:sc= -0.0802 (180deg=-0.356) USER MOD Single : A 54 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= -0.451 X(o=-0.45,f=-0.63) USER MOD Single : A 59 GLN : amide:sc=-0.00397 X(o=-0.004,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.0997 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 MET CE :methyl 170:sc= -0.0207 (180deg=-0.255) USER MOD Single : A 79 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.7!) USER MOD Single : A 80 SER OG : rot 180:sc= -0.249 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-0.63,f=0) USER MOD Single : A 96 LYS NZ :NH3+ -165:sc= -2.16! (180deg=-2.92!) USER MOD Single : A 97 THR OG1 : rot 83:sc= 0.256 USER MOD Single : A 106 ASN : amide:sc= -2.54 K(o=-2.5,f=-8.1!) USER MOD Single : A 108 GLN :FLIP amide:sc= 1.01 F(o=-0.22,f=1) USER MOD Single : A 119 SER OG : rot 130:sc= -1.21 USER MOD Single : A 122 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 81 N ILE A 6 5.921 -3.288 -12.044 1.00 4.24 N ATOM 82 CA ILE A 6 7.345 -3.577 -12.163 1.00 20.11 C ATOM 83 C ILE A 6 8.107 -3.109 -10.927 1.00 75.23 C ATOM 84 O ILE A 6 9.149 -3.663 -10.582 1.00 25.43 O ATOM 85 CB ILE A 6 7.953 -2.909 -13.410 1.00 52.13 C ATOM 86 CG1 ILE A 6 7.543 -1.436 -13.478 1.00 34.42 C ATOM 87 CG2 ILE A 6 7.518 -3.644 -14.670 1.00 2.34 C ATOM 88 CD1 ILE A 6 8.303 -0.644 -14.518 1.00 71.44 C ATOM 0 HA ILE A 6 7.440 -4.659 -12.257 1.00 20.11 H new ATOM 0 HB ILE A 6 9.039 -2.961 -13.339 1.00 52.13 H new ATOM 0 HG12 ILE A 6 6.476 -1.374 -13.694 1.00 34.42 H new ATOM 0 HG13 ILE A 6 7.698 -0.979 -12.501 1.00 34.42 H new ATOM 0 HG21 ILE A 6 7.956 -3.160 -15.543 1.00 2.34 H new ATOM 0 HG22 ILE A 6 7.855 -4.679 -14.622 1.00 2.34 H new ATOM 0 HG23 ILE A 6 6.431 -3.620 -14.749 1.00 2.34 H new ATOM 0 HD11 ILE A 6 7.960 0.391 -14.510 1.00 71.44 H new ATOM 0 HD12 ILE A 6 9.369 -0.675 -14.292 1.00 71.44 H new ATOM 0 HD13 ILE A 6 8.129 -1.076 -15.503 1.00 71.44 H new ATOM 100 N ALA A 7 7.577 -2.086 -10.265 1.00 34.34 N ATOM 101 CA ALA A 7 8.204 -1.546 -9.065 1.00 30.11 C ATOM 102 C ALA A 7 8.425 -2.637 -8.022 1.00 51.33 C ATOM 103 O ALA A 7 9.452 -2.663 -7.345 1.00 53.12 O ATOM 104 CB ALA A 7 7.356 -0.424 -8.486 1.00 12.43 C ATOM 0 H ALA A 7 6.715 -1.615 -10.539 1.00 34.34 H new ATOM 0 HA ALA A 7 9.178 -1.144 -9.344 1.00 30.11 H new ATOM 0 HB1 ALA A 7 7.836 -0.030 -7.590 1.00 12.43 H new ATOM 0 HB2 ALA A 7 7.254 0.372 -9.223 1.00 12.43 H new ATOM 0 HB3 ALA A 7 6.369 -0.809 -8.229 1.00 12.43 H new ATOM 110 N GLY A 8 7.453 -3.536 -7.898 1.00 64.10 N ATOM 111 CA GLY A 8 7.561 -4.616 -6.935 1.00 23.31 C ATOM 112 C GLY A 8 8.499 -5.714 -7.397 1.00 53.04 C ATOM 113 O GLY A 8 9.171 -6.349 -6.584 1.00 14.11 O ATOM 0 H GLY A 8 6.593 -3.535 -8.447 1.00 64.10 H new ATOM 0 HA2 GLY A 8 7.914 -4.217 -5.984 1.00 23.31 H new ATOM 0 HA3 GLY A 8 6.572 -5.039 -6.755 1.00 23.31 H new ATOM 117 N ILE A 9 8.543 -5.939 -8.706 1.00 62.31 N ATOM 118 CA ILE A 9 9.405 -6.968 -9.275 1.00 32.54 C ATOM 119 C ILE A 9 10.863 -6.521 -9.285 1.00 34.02 C ATOM 120 O ILE A 9 11.776 -7.341 -9.180 1.00 51.23 O ATOM 121 CB ILE A 9 8.980 -7.328 -10.711 1.00 31.35 C ATOM 122 CG1 ILE A 9 7.600 -7.989 -10.707 1.00 12.11 C ATOM 123 CG2 ILE A 9 10.010 -8.245 -11.354 1.00 0.42 C ATOM 124 CD1 ILE A 9 6.456 -6.999 -10.739 1.00 22.31 C ATOM 0 H ILE A 9 7.992 -5.423 -9.392 1.00 62.31 H new ATOM 0 HA ILE A 9 9.303 -7.850 -8.643 1.00 32.54 H new ATOM 0 HB ILE A 9 8.922 -6.411 -11.298 1.00 31.35 H new ATOM 0 HG12 ILE A 9 7.521 -8.651 -11.569 1.00 12.11 H new ATOM 0 HG13 ILE A 9 7.507 -8.611 -9.817 1.00 12.11 H new ATOM 0 HG21 ILE A 9 9.696 -8.491 -12.368 1.00 0.42 H new ATOM 0 HG22 ILE A 9 10.976 -7.741 -11.385 1.00 0.42 H new ATOM 0 HG23 ILE A 9 10.097 -9.161 -10.769 1.00 0.42 H new ATOM 0 HD11 ILE A 9 5.508 -7.538 -10.734 1.00 22.31 H new ATOM 0 HD12 ILE A 9 6.510 -6.352 -9.863 1.00 22.31 H new ATOM 0 HD13 ILE A 9 6.524 -6.393 -11.642 1.00 22.31 H new ATOM 136 N LEU A 10 11.074 -5.215 -9.410 1.00 31.54 N ATOM 137 CA LEU A 10 12.422 -4.657 -9.431 1.00 74.24 C ATOM 138 C LEU A 10 12.935 -4.419 -8.015 1.00 64.40 C ATOM 139 O LEU A 10 14.142 -4.444 -7.768 1.00 14.34 O ATOM 140 CB LEU A 10 12.439 -3.346 -10.219 1.00 61.34 C ATOM 141 CG LEU A 10 12.251 -2.069 -9.401 1.00 4.53 C ATOM 142 CD1 LEU A 10 13.589 -1.568 -8.879 1.00 1.51 C ATOM 143 CD2 LEU A 10 11.567 -0.996 -10.236 1.00 11.05 C ATOM 0 H LEU A 10 10.330 -4.523 -9.498 1.00 31.54 H new ATOM 0 HA LEU A 10 13.079 -5.376 -9.919 1.00 74.24 H new ATOM 0 HB2 LEU A 10 13.388 -3.277 -10.750 1.00 61.34 H new ATOM 0 HB3 LEU A 10 11.654 -3.389 -10.974 1.00 61.34 H new ATOM 0 HG LEU A 10 11.613 -2.298 -8.547 1.00 4.53 H new ATOM 0 HD11 LEU A 10 13.436 -0.658 -8.299 1.00 1.51 H new ATOM 0 HD12 LEU A 10 14.041 -2.331 -8.245 1.00 1.51 H new ATOM 0 HD13 LEU A 10 14.251 -1.356 -9.719 1.00 1.51 H new ATOM 0 HD21 LEU A 10 11.441 -0.094 -9.637 1.00 11.05 H new ATOM 0 HD22 LEU A 10 12.179 -0.770 -11.109 1.00 11.05 H new ATOM 0 HD23 LEU A 10 10.590 -1.355 -10.560 1.00 11.05 H new ATOM 155 N THR A 11 12.012 -4.191 -7.086 1.00 72.23 N ATOM 156 CA THR A 11 12.371 -3.950 -5.695 1.00 34.15 C ATOM 157 C THR A 11 12.481 -5.259 -4.921 1.00 14.25 C ATOM 158 O THR A 11 13.122 -5.319 -3.872 1.00 2.33 O ATOM 159 CB THR A 11 11.341 -3.040 -4.998 1.00 61.14 C ATOM 160 OG1 THR A 11 11.905 -2.485 -3.805 1.00 64.30 O ATOM 161 CG2 THR A 11 10.078 -3.816 -4.655 1.00 41.53 C ATOM 0 H THR A 11 11.009 -4.168 -7.273 1.00 72.23 H new ATOM 0 HA THR A 11 13.340 -3.451 -5.701 1.00 34.15 H new ATOM 0 HB THR A 11 11.078 -2.234 -5.684 1.00 61.14 H new ATOM 0 HG1 THR A 11 11.245 -1.907 -3.369 1.00 64.30 H new ATOM 0 HG21 THR A 11 9.366 -3.153 -4.164 1.00 41.53 H new ATOM 0 HG22 THR A 11 9.635 -4.212 -5.569 1.00 41.53 H new ATOM 0 HG23 THR A 11 10.327 -4.640 -3.986 1.00 41.53 H new ATOM 169 N SER A 12 11.851 -6.306 -5.445 1.00 2.33 N ATOM 170 CA SER A 12 11.876 -7.614 -4.801 1.00 1.35 C ATOM 171 C SER A 12 13.120 -8.397 -5.209 1.00 72.05 C ATOM 172 O SER A 12 14.001 -8.658 -4.390 1.00 64.43 O ATOM 173 CB SER A 12 10.619 -8.407 -5.161 1.00 15.03 C ATOM 174 OG SER A 12 10.569 -9.634 -4.453 1.00 3.31 O ATOM 0 H SER A 12 11.317 -6.274 -6.314 1.00 2.33 H new ATOM 0 HA SER A 12 11.903 -7.460 -3.722 1.00 1.35 H new ATOM 0 HB2 SER A 12 9.733 -7.815 -4.931 1.00 15.03 H new ATOM 0 HB3 SER A 12 10.603 -8.602 -6.233 1.00 15.03 H new ATOM 0 HG SER A 12 9.755 -10.121 -4.700 1.00 3.31 H new ATOM 180 N THR A 13 13.184 -8.770 -6.484 1.00 42.10 N ATOM 181 CA THR A 13 14.318 -9.524 -7.003 1.00 71.23 C ATOM 182 C THR A 13 14.889 -8.867 -8.254 1.00 41.15 C ATOM 183 O THR A 13 14.150 -8.509 -9.171 1.00 52.25 O ATOM 184 CB THR A 13 13.923 -10.976 -7.335 1.00 14.34 C ATOM 185 OG1 THR A 13 14.969 -11.611 -8.077 1.00 70.05 O ATOM 186 CG2 THR A 13 12.630 -11.015 -8.135 1.00 75.00 C ATOM 0 H THR A 13 12.464 -8.562 -7.176 1.00 42.10 H new ATOM 0 HA THR A 13 15.077 -9.531 -6.221 1.00 71.23 H new ATOM 0 HB THR A 13 13.768 -11.511 -6.398 1.00 14.34 H new ATOM 0 HG1 THR A 13 14.711 -12.534 -8.283 1.00 70.05 H new ATOM 0 HG21 THR A 13 12.371 -12.050 -8.358 1.00 75.00 H new ATOM 0 HG22 THR A 13 11.829 -10.557 -7.554 1.00 75.00 H new ATOM 0 HG23 THR A 13 12.762 -10.465 -9.067 1.00 75.00 H new ATOM 194 N ARG A 14 16.209 -8.712 -8.286 1.00 14.31 N ATOM 195 CA ARG A 14 16.879 -8.097 -9.425 1.00 54.43 C ATOM 196 C ARG A 14 17.667 -9.135 -10.218 1.00 71.21 C ATOM 197 O ARG A 14 18.742 -9.567 -9.800 1.00 74.50 O ATOM 198 CB ARG A 14 17.814 -6.982 -8.953 1.00 50.03 C ATOM 199 CG ARG A 14 17.090 -5.705 -8.559 1.00 73.14 C ATOM 200 CD ARG A 14 18.051 -4.670 -7.997 1.00 44.13 C ATOM 201 NE ARG A 14 17.366 -3.676 -7.175 1.00 65.01 N ATOM 202 CZ ARG A 14 17.988 -2.673 -6.564 1.00 73.25 C ATOM 203 NH1 ARG A 14 19.301 -2.532 -6.683 1.00 54.44 N ATOM 204 NH2 ARG A 14 17.295 -1.809 -5.833 1.00 43.04 N ATOM 0 H ARG A 14 16.835 -9.004 -7.536 1.00 14.31 H new ATOM 0 HA ARG A 14 16.116 -7.670 -10.076 1.00 54.43 H new ATOM 0 HB2 ARG A 14 18.391 -7.340 -8.100 1.00 50.03 H new ATOM 0 HB3 ARG A 14 18.526 -6.756 -9.747 1.00 50.03 H new ATOM 0 HG2 ARG A 14 16.578 -5.293 -9.428 1.00 73.14 H new ATOM 0 HG3 ARG A 14 16.325 -5.933 -7.817 1.00 73.14 H new ATOM 0 HD2 ARG A 14 18.814 -5.170 -7.400 1.00 44.13 H new ATOM 0 HD3 ARG A 14 18.565 -4.170 -8.818 1.00 44.13 H new ATOM 0 HE ARG A 14 16.355 -3.756 -7.064 1.00 65.01 H new ATOM 0 HH11 ARG A 14 19.836 -3.194 -7.245 1.00 54.44 H new ATOM 0 HH12 ARG A 14 19.776 -1.761 -6.213 1.00 54.44 H new ATOM 0 HH21 ARG A 14 16.285 -1.915 -5.740 1.00 43.04 H new ATOM 0 HH22 ARG A 14 17.773 -1.039 -5.364 1.00 43.04 H new ATOM 218 N THR A 15 17.125 -9.533 -11.365 1.00 43.33 N ATOM 219 CA THR A 15 17.776 -10.521 -12.216 1.00 21.23 C ATOM 220 C THR A 15 17.653 -10.146 -13.688 1.00 71.31 C ATOM 221 O THR A 15 16.616 -9.648 -14.126 1.00 52.35 O ATOM 222 CB THR A 15 17.179 -11.925 -12.004 1.00 30.25 C ATOM 223 OG1 THR A 15 17.269 -12.292 -10.622 1.00 71.24 O ATOM 224 CG2 THR A 15 17.904 -12.956 -12.856 1.00 31.03 C ATOM 0 H THR A 15 16.236 -9.186 -11.726 1.00 43.33 H new ATOM 0 HA THR A 15 18.829 -10.535 -11.935 1.00 21.23 H new ATOM 0 HB THR A 15 16.132 -11.900 -12.306 1.00 30.25 H new ATOM 0 HG1 THR A 15 16.886 -13.185 -10.495 1.00 71.24 H new ATOM 0 HG21 THR A 15 17.465 -13.940 -12.689 1.00 31.03 H new ATOM 0 HG22 THR A 15 17.809 -12.690 -13.909 1.00 31.03 H new ATOM 0 HG23 THR A 15 18.959 -12.978 -12.581 1.00 31.03 H new ATOM 232 N ILE A 16 18.716 -10.390 -14.447 1.00 2.42 N ATOM 233 CA ILE A 16 18.725 -10.079 -15.871 1.00 3.32 C ATOM 234 C ILE A 16 19.256 -11.253 -16.686 1.00 45.54 C ATOM 235 O ILE A 16 20.252 -11.876 -16.320 1.00 31.33 O ATOM 236 CB ILE A 16 19.579 -8.832 -16.170 1.00 23.35 C ATOM 237 CG1 ILE A 16 19.185 -7.682 -15.240 1.00 60.44 C ATOM 238 CG2 ILE A 16 19.424 -8.421 -17.626 1.00 3.31 C ATOM 239 CD1 ILE A 16 20.004 -7.624 -13.970 1.00 33.43 C ATOM 0 H ILE A 16 19.582 -10.802 -14.100 1.00 2.42 H new ATOM 0 HA ILE A 16 17.692 -9.879 -16.157 1.00 3.32 H new ATOM 0 HB ILE A 16 20.626 -9.075 -15.992 1.00 23.35 H new ATOM 0 HG12 ILE A 16 19.293 -6.739 -15.776 1.00 60.44 H new ATOM 0 HG13 ILE A 16 18.131 -7.781 -14.979 1.00 60.44 H new ATOM 0 HG21 ILE A 16 20.033 -7.539 -17.822 1.00 3.31 H new ATOM 0 HG22 ILE A 16 19.749 -9.237 -18.271 1.00 3.31 H new ATOM 0 HG23 ILE A 16 18.378 -8.192 -17.830 1.00 3.31 H new ATOM 0 HD11 ILE A 16 19.670 -6.785 -13.360 1.00 33.43 H new ATOM 0 HD12 ILE A 16 19.877 -8.552 -13.412 1.00 33.43 H new ATOM 0 HD13 ILE A 16 21.057 -7.493 -14.221 1.00 33.43 H new ATOM 251 N ALA A 17 18.586 -11.547 -17.796 1.00 2.24 N ATOM 252 CA ALA A 17 18.993 -12.643 -18.666 1.00 32.12 C ATOM 253 C ALA A 17 19.105 -12.181 -20.115 1.00 32.42 C ATOM 254 O ALA A 17 18.202 -11.528 -20.641 1.00 25.15 O ATOM 255 CB ALA A 17 18.010 -13.799 -18.553 1.00 20.13 C ATOM 0 H ALA A 17 17.759 -11.041 -18.113 1.00 2.24 H new ATOM 0 HA ALA A 17 19.977 -12.984 -18.344 1.00 32.12 H new ATOM 0 HB1 ALA A 17 18.326 -14.611 -19.208 1.00 20.13 H new ATOM 0 HB2 ALA A 17 17.983 -14.154 -17.523 1.00 20.13 H new ATOM 0 HB3 ALA A 17 17.016 -13.462 -18.847 1.00 20.13 H new ATOM 261 N LEU A 18 20.217 -12.524 -20.756 1.00 11.34 N ATOM 262 CA LEU A 18 20.447 -12.143 -22.145 1.00 63.50 C ATOM 263 C LEU A 18 20.081 -13.284 -23.090 1.00 10.25 C ATOM 264 O LEU A 18 20.428 -14.440 -22.848 1.00 34.03 O ATOM 265 CB LEU A 18 21.910 -11.746 -22.350 1.00 23.52 C ATOM 266 CG LEU A 18 22.166 -10.623 -23.355 1.00 5.34 C ATOM 267 CD1 LEU A 18 22.546 -9.338 -22.634 1.00 31.41 C ATOM 268 CD2 LEU A 18 23.255 -11.025 -24.339 1.00 73.41 C ATOM 0 H LEU A 18 20.973 -13.065 -20.336 1.00 11.34 H new ATOM 0 HA LEU A 18 19.810 -11.288 -22.372 1.00 63.50 H new ATOM 0 HB2 LEU A 18 22.322 -11.445 -21.387 1.00 23.52 H new ATOM 0 HB3 LEU A 18 22.463 -12.628 -22.672 1.00 23.52 H new ATOM 0 HG LEU A 18 21.247 -10.445 -23.913 1.00 5.34 H new ATOM 0 HD11 LEU A 18 22.725 -8.550 -23.365 1.00 31.41 H new ATOM 0 HD12 LEU A 18 21.735 -9.040 -21.970 1.00 31.41 H new ATOM 0 HD13 LEU A 18 23.451 -9.503 -22.050 1.00 31.41 H new ATOM 0 HD21 LEU A 18 23.424 -10.213 -25.047 1.00 73.41 H new ATOM 0 HD22 LEU A 18 24.178 -11.231 -23.796 1.00 73.41 H new ATOM 0 HD23 LEU A 18 22.945 -11.919 -24.880 1.00 73.41 H new ATOM 280 N VAL A 19 19.379 -12.950 -24.168 1.00 45.22 N ATOM 281 CA VAL A 19 18.969 -13.945 -25.151 1.00 51.15 C ATOM 282 C VAL A 19 19.799 -13.834 -26.425 1.00 52.45 C ATOM 283 O VAL A 19 19.799 -12.799 -27.090 1.00 40.53 O ATOM 284 CB VAL A 19 17.478 -13.799 -25.509 1.00 12.12 C ATOM 285 CG1 VAL A 19 17.045 -14.906 -26.458 1.00 21.13 C ATOM 286 CG2 VAL A 19 16.626 -13.802 -24.249 1.00 34.13 C ATOM 0 H VAL A 19 19.082 -11.998 -24.383 1.00 45.22 H new ATOM 0 HA VAL A 19 19.133 -14.923 -24.698 1.00 51.15 H new ATOM 0 HB VAL A 19 17.335 -12.844 -26.015 1.00 12.12 H new ATOM 0 HG11 VAL A 19 15.989 -14.786 -26.699 1.00 21.13 H new ATOM 0 HG12 VAL A 19 17.635 -14.852 -27.373 1.00 21.13 H new ATOM 0 HG13 VAL A 19 17.201 -15.874 -25.983 1.00 21.13 H new ATOM 0 HG21 VAL A 19 15.575 -13.698 -24.520 1.00 34.13 H new ATOM 0 HG22 VAL A 19 16.772 -14.740 -23.714 1.00 34.13 H new ATOM 0 HG23 VAL A 19 16.920 -12.970 -23.609 1.00 34.13 H new ATOM 296 N GLY A 20 20.506 -14.909 -26.761 1.00 11.33 N ATOM 297 CA GLY A 20 21.331 -14.912 -27.955 1.00 14.53 C ATOM 298 C GLY A 20 22.691 -14.286 -27.721 1.00 43.10 C ATOM 299 O GLY A 20 23.137 -13.444 -28.500 1.00 70.12 O ATOM 0 H GLY A 20 20.522 -15.778 -26.227 1.00 11.33 H new ATOM 0 HA2 GLY A 20 21.461 -15.938 -28.300 1.00 14.53 H new ATOM 0 HA3 GLY A 20 20.817 -14.371 -28.749 1.00 14.53 H new ATOM 303 N ALA A 21 23.353 -14.697 -26.644 1.00 14.42 N ATOM 304 CA ALA A 21 24.670 -14.171 -26.310 1.00 4.11 C ATOM 305 C ALA A 21 25.755 -14.833 -27.152 1.00 63.24 C ATOM 306 O ALA A 21 25.937 -16.050 -27.103 1.00 2.44 O ATOM 307 CB ALA A 21 24.957 -14.367 -24.828 1.00 52.44 C ATOM 0 H ALA A 21 22.998 -15.393 -25.988 1.00 14.42 H new ATOM 0 HA ALA A 21 24.674 -13.104 -26.532 1.00 4.11 H new ATOM 0 HB1 ALA A 21 25.944 -13.969 -24.593 1.00 52.44 H new ATOM 0 HB2 ALA A 21 24.205 -13.842 -24.239 1.00 52.44 H new ATOM 0 HB3 ALA A 21 24.928 -15.430 -24.589 1.00 52.44 H new ATOM 313 N SER A 22 26.473 -14.025 -27.926 1.00 60.21 N ATOM 314 CA SER A 22 27.537 -14.534 -28.783 1.00 43.03 C ATOM 315 C SER A 22 28.859 -13.835 -28.481 1.00 42.43 C ATOM 316 O SER A 22 28.949 -13.025 -27.558 1.00 22.30 O ATOM 317 CB SER A 22 27.171 -14.342 -30.256 1.00 54.11 C ATOM 318 OG SER A 22 26.169 -15.261 -30.656 1.00 63.35 O ATOM 0 H SER A 22 26.337 -13.015 -27.977 1.00 60.21 H new ATOM 0 HA SER A 22 27.654 -15.599 -28.581 1.00 43.03 H new ATOM 0 HB2 SER A 22 26.819 -13.323 -30.417 1.00 54.11 H new ATOM 0 HB3 SER A 22 28.058 -14.474 -30.875 1.00 54.11 H new ATOM 0 HG SER A 22 25.951 -15.117 -31.601 1.00 63.35 H new ATOM 324 N ASP A 23 29.882 -14.153 -29.266 1.00 64.23 N ATOM 325 CA ASP A 23 31.200 -13.556 -29.085 1.00 3.41 C ATOM 326 C ASP A 23 31.356 -12.310 -29.951 1.00 51.33 C ATOM 327 O ASP A 23 32.393 -12.105 -30.583 1.00 12.32 O ATOM 328 CB ASP A 23 32.294 -14.569 -29.425 1.00 44.34 C ATOM 329 CG ASP A 23 33.679 -14.068 -29.065 1.00 63.04 C ATOM 330 OD1 ASP A 23 33.885 -13.681 -27.896 1.00 23.02 O ATOM 331 OD2 ASP A 23 34.558 -14.064 -29.953 1.00 15.00 O ATOM 0 H ASP A 23 29.824 -14.821 -30.034 1.00 64.23 H new ATOM 0 HA ASP A 23 31.299 -13.264 -28.039 1.00 3.41 H new ATOM 0 HB2 ASP A 23 32.099 -15.501 -28.895 1.00 44.34 H new ATOM 0 HB3 ASP A 23 32.258 -14.794 -30.491 1.00 44.34 H new ATOM 336 N LYS A 24 30.318 -11.480 -29.978 1.00 22.24 N ATOM 337 CA LYS A 24 30.338 -10.254 -30.766 1.00 2.21 C ATOM 338 C LYS A 24 30.425 -9.028 -29.863 1.00 1.24 C ATOM 339 O LYS A 24 29.415 -8.439 -29.476 1.00 44.22 O ATOM 340 CB LYS A 24 29.087 -10.167 -31.643 1.00 42.50 C ATOM 341 CG LYS A 24 29.171 -11.004 -32.908 1.00 5.53 C ATOM 342 CD LYS A 24 30.144 -10.404 -33.909 1.00 50.15 C ATOM 343 CE LYS A 24 30.103 -11.144 -35.238 1.00 21.04 C ATOM 344 NZ LYS A 24 30.260 -12.614 -35.058 1.00 43.05 N ATOM 0 H LYS A 24 29.452 -11.635 -29.462 1.00 22.24 H new ATOM 0 HA LYS A 24 31.221 -10.276 -31.404 1.00 2.21 H new ATOM 0 HB2 LYS A 24 28.223 -10.488 -31.062 1.00 42.50 H new ATOM 0 HB3 LYS A 24 28.917 -9.126 -31.917 1.00 42.50 H new ATOM 0 HG2 LYS A 24 29.486 -12.017 -32.655 1.00 5.53 H new ATOM 0 HG3 LYS A 24 28.183 -11.081 -33.361 1.00 5.53 H new ATOM 0 HD2 LYS A 24 29.902 -9.353 -34.069 1.00 50.15 H new ATOM 0 HD3 LYS A 24 31.155 -10.440 -33.502 1.00 50.15 H new ATOM 0 HE2 LYS A 24 29.157 -10.938 -35.739 1.00 21.04 H new ATOM 0 HE3 LYS A 24 30.896 -10.771 -35.886 1.00 21.04 H new ATOM 0 HZ1 LYS A 24 30.464 -13.056 -35.977 1.00 43.05 H new ATOM 0 HZ2 LYS A 24 31.044 -12.802 -34.401 1.00 43.05 H new ATOM 0 HZ3 LYS A 24 29.381 -13.012 -34.670 1.00 43.05 H new ATOM 358 N PRO A 25 31.659 -8.632 -29.518 1.00 45.21 N ATOM 359 CA PRO A 25 31.907 -7.471 -28.658 1.00 42.21 C ATOM 360 C PRO A 25 31.572 -6.154 -29.351 1.00 21.33 C ATOM 361 O PRO A 25 31.592 -5.092 -28.729 1.00 33.04 O ATOM 362 CB PRO A 25 33.408 -7.557 -28.370 1.00 41.50 C ATOM 363 CG PRO A 25 33.973 -8.310 -29.524 1.00 71.23 C ATOM 364 CD PRO A 25 32.908 -9.287 -29.942 1.00 44.41 C ATOM 0 HA PRO A 25 31.286 -7.487 -27.763 1.00 42.21 H new ATOM 0 HB2 PRO A 25 33.853 -6.565 -28.289 1.00 41.50 H new ATOM 0 HB3 PRO A 25 33.602 -8.071 -27.429 1.00 41.50 H new ATOM 0 HG2 PRO A 25 34.228 -7.637 -30.342 1.00 71.23 H new ATOM 0 HG3 PRO A 25 34.889 -8.829 -29.241 1.00 71.23 H new ATOM 0 HD2 PRO A 25 32.924 -9.463 -31.018 1.00 44.41 H new ATOM 0 HD3 PRO A 25 33.038 -10.255 -29.458 1.00 44.41 H new ATOM 372 N ASP A 26 31.264 -6.231 -30.641 1.00 24.53 N ATOM 373 CA ASP A 26 30.923 -5.046 -31.418 1.00 2.53 C ATOM 374 C ASP A 26 29.415 -4.948 -31.627 1.00 63.42 C ATOM 375 O ASP A 26 28.950 -4.320 -32.578 1.00 0.52 O ATOM 376 CB ASP A 26 31.638 -5.072 -32.770 1.00 32.43 C ATOM 377 CG ASP A 26 33.034 -4.486 -32.698 1.00 61.13 C ATOM 378 OD1 ASP A 26 33.555 -4.328 -31.574 1.00 60.30 O ATOM 379 OD2 ASP A 26 33.606 -4.186 -33.767 1.00 3.24 O ATOM 0 H ASP A 26 31.244 -7.102 -31.171 1.00 24.53 H new ATOM 0 HA ASP A 26 31.252 -4.169 -30.860 1.00 2.53 H new ATOM 0 HB2 ASP A 26 31.697 -6.100 -33.127 1.00 32.43 H new ATOM 0 HB3 ASP A 26 31.050 -4.515 -33.499 1.00 32.43 H new ATOM 384 N ARG A 27 28.657 -5.576 -30.734 1.00 63.00 N ATOM 385 CA ARG A 27 27.202 -5.562 -30.823 1.00 21.25 C ATOM 386 C ARG A 27 26.585 -4.999 -29.546 1.00 21.24 C ATOM 387 O ARG A 27 27.218 -4.949 -28.491 1.00 30.54 O ATOM 388 CB ARG A 27 26.672 -6.974 -31.078 1.00 61.31 C ATOM 389 CG ARG A 27 26.595 -7.338 -32.552 1.00 34.32 C ATOM 390 CD ARG A 27 25.154 -7.513 -33.007 1.00 63.24 C ATOM 391 NE ARG A 27 24.634 -6.310 -33.652 1.00 23.30 N ATOM 392 CZ ARG A 27 25.051 -5.872 -34.834 1.00 41.55 C ATOM 393 NH1 ARG A 27 25.989 -6.534 -35.498 1.00 53.41 N ATOM 394 NH2 ARG A 27 24.529 -4.768 -35.356 1.00 24.43 N ATOM 0 H ARG A 27 29.026 -6.101 -29.941 1.00 63.00 H new ATOM 0 HA ARG A 27 26.920 -4.919 -31.657 1.00 21.25 H new ATOM 0 HB2 ARG A 27 27.315 -7.692 -30.568 1.00 61.31 H new ATOM 0 HB3 ARG A 27 25.679 -7.066 -30.637 1.00 61.31 H new ATOM 0 HG2 ARG A 27 27.073 -6.559 -33.146 1.00 34.32 H new ATOM 0 HG3 ARG A 27 27.149 -8.260 -32.730 1.00 34.32 H new ATOM 0 HD2 ARG A 27 25.092 -8.352 -33.700 1.00 63.24 H new ATOM 0 HD3 ARG A 27 24.530 -7.762 -32.148 1.00 63.24 H new ATOM 0 HE ARG A 27 23.911 -5.777 -33.168 1.00 23.30 H new ATOM 0 HH11 ARG A 27 26.392 -7.382 -35.101 1.00 53.41 H new ATOM 0 HH12 ARG A 27 26.307 -6.195 -36.406 1.00 53.41 H new ATOM 0 HH21 ARG A 27 23.807 -4.256 -34.849 1.00 24.43 H new ATOM 0 HH22 ARG A 27 24.850 -4.432 -36.264 1.00 24.43 H new ATOM 408 N PRO A 28 25.320 -4.564 -29.641 1.00 40.14 N ATOM 409 CA PRO A 28 24.590 -3.997 -28.504 1.00 12.41 C ATOM 410 C PRO A 28 24.252 -5.046 -27.450 1.00 45.30 C ATOM 411 O PRO A 28 23.961 -4.714 -26.301 1.00 52.21 O ATOM 412 CB PRO A 28 23.311 -3.448 -29.141 1.00 74.54 C ATOM 413 CG PRO A 28 23.123 -4.263 -30.375 1.00 10.13 C ATOM 414 CD PRO A 28 24.505 -4.593 -30.867 1.00 51.44 C ATOM 0 HA PRO A 28 25.177 -3.245 -27.978 1.00 12.41 H new ATOM 0 HB2 PRO A 28 22.459 -3.547 -28.468 1.00 74.54 H new ATOM 0 HB3 PRO A 28 23.410 -2.388 -29.377 1.00 74.54 H new ATOM 0 HG2 PRO A 28 22.558 -5.170 -30.161 1.00 10.13 H new ATOM 0 HG3 PRO A 28 22.563 -3.708 -31.128 1.00 10.13 H new ATOM 0 HD2 PRO A 28 24.537 -5.571 -31.348 1.00 51.44 H new ATOM 0 HD3 PRO A 28 24.855 -3.866 -31.599 1.00 51.44 H new ATOM 422 N SER A 29 24.295 -6.313 -27.849 1.00 33.14 N ATOM 423 CA SER A 29 23.990 -7.411 -26.939 1.00 22.14 C ATOM 424 C SER A 29 25.162 -7.678 -25.998 1.00 74.23 C ATOM 425 O SER A 29 24.978 -8.167 -24.883 1.00 61.44 O ATOM 426 CB SER A 29 23.656 -8.678 -27.728 1.00 62.23 C ATOM 427 OG SER A 29 24.738 -9.061 -28.560 1.00 10.13 O ATOM 0 H SER A 29 24.538 -6.605 -28.796 1.00 33.14 H new ATOM 0 HA SER A 29 23.124 -7.125 -26.342 1.00 22.14 H new ATOM 0 HB2 SER A 29 23.419 -9.488 -27.038 1.00 62.23 H new ATOM 0 HB3 SER A 29 22.768 -8.508 -28.336 1.00 62.23 H new ATOM 0 HG SER A 29 24.500 -9.874 -29.052 1.00 10.13 H new ATOM 433 N TYR A 30 26.365 -7.353 -26.456 1.00 64.54 N ATOM 434 CA TYR A 30 27.568 -7.560 -25.658 1.00 61.14 C ATOM 435 C TYR A 30 27.850 -6.349 -24.774 1.00 72.12 C ATOM 436 O TYR A 30 28.149 -6.489 -23.588 1.00 51.31 O ATOM 437 CB TYR A 30 28.768 -7.832 -26.567 1.00 71.12 C ATOM 438 CG TYR A 30 29.886 -8.586 -25.884 1.00 63.31 C ATOM 439 CD1 TYR A 30 30.747 -7.944 -25.003 1.00 45.02 C ATOM 440 CD2 TYR A 30 30.081 -9.942 -26.119 1.00 50.00 C ATOM 441 CE1 TYR A 30 31.771 -8.629 -24.378 1.00 31.14 C ATOM 442 CE2 TYR A 30 31.101 -10.636 -25.497 1.00 11.53 C ATOM 443 CZ TYR A 30 31.943 -9.975 -24.627 1.00 45.44 C ATOM 444 OH TYR A 30 32.961 -10.661 -24.005 1.00 51.10 O ATOM 0 H TYR A 30 26.534 -6.945 -27.376 1.00 64.54 H new ATOM 0 HA TYR A 30 27.403 -8.426 -25.016 1.00 61.14 H new ATOM 0 HB2 TYR A 30 28.434 -8.401 -27.435 1.00 71.12 H new ATOM 0 HB3 TYR A 30 29.155 -6.883 -26.938 1.00 71.12 H new ATOM 0 HD1 TYR A 30 30.614 -6.891 -24.803 1.00 45.02 H new ATOM 0 HD2 TYR A 30 29.424 -10.462 -26.800 1.00 50.00 H new ATOM 0 HE1 TYR A 30 32.433 -8.114 -23.698 1.00 31.14 H new ATOM 0 HE2 TYR A 30 31.238 -11.690 -25.691 1.00 11.53 H new ATOM 0 HH TYR A 30 32.944 -11.599 -24.288 1.00 51.10 H new ATOM 454 N ARG A 31 27.751 -5.161 -25.361 1.00 4.32 N ATOM 455 CA ARG A 31 27.996 -3.924 -24.628 1.00 31.31 C ATOM 456 C ARG A 31 27.141 -3.862 -23.366 1.00 33.44 C ATOM 457 O ARG A 31 27.558 -3.311 -22.347 1.00 31.52 O ATOM 458 CB ARG A 31 27.702 -2.714 -25.516 1.00 1.44 C ATOM 459 CG ARG A 31 26.219 -2.434 -25.693 1.00 13.11 C ATOM 460 CD ARG A 31 25.983 -1.219 -26.576 1.00 54.31 C ATOM 461 NE ARG A 31 26.169 0.033 -25.847 1.00 21.33 N ATOM 462 CZ ARG A 31 25.262 0.545 -25.022 1.00 24.31 C ATOM 463 NH1 ARG A 31 24.112 -0.084 -24.822 1.00 65.45 N ATOM 464 NH2 ARG A 31 25.505 1.688 -24.394 1.00 45.22 N ATOM 0 H ARG A 31 27.503 -5.028 -26.341 1.00 4.32 H new ATOM 0 HA ARG A 31 29.046 -3.905 -24.336 1.00 31.31 H new ATOM 0 HB2 ARG A 31 28.180 -1.834 -25.086 1.00 1.44 H new ATOM 0 HB3 ARG A 31 28.152 -2.875 -26.496 1.00 1.44 H new ATOM 0 HG2 ARG A 31 25.733 -3.305 -26.133 1.00 13.11 H new ATOM 0 HG3 ARG A 31 25.759 -2.271 -24.718 1.00 13.11 H new ATOM 0 HD2 ARG A 31 26.667 -1.249 -27.424 1.00 54.31 H new ATOM 0 HD3 ARG A 31 24.971 -1.256 -26.980 1.00 54.31 H new ATOM 0 HE ARG A 31 27.043 0.542 -25.978 1.00 21.33 H new ATOM 0 HH11 ARG A 31 23.922 -0.964 -25.302 1.00 65.45 H new ATOM 0 HH12 ARG A 31 23.418 0.312 -24.188 1.00 65.45 H new ATOM 0 HH21 ARG A 31 26.389 2.175 -24.544 1.00 45.22 H new ATOM 0 HH22 ARG A 31 24.808 2.080 -23.761 1.00 45.22 H new ATOM 478 N VAL A 32 25.942 -4.431 -23.441 1.00 34.01 N ATOM 479 CA VAL A 32 25.028 -4.441 -22.305 1.00 34.21 C ATOM 480 C VAL A 32 25.440 -5.489 -21.277 1.00 73.45 C ATOM 481 O VAL A 32 25.303 -5.279 -20.073 1.00 24.24 O ATOM 482 CB VAL A 32 23.580 -4.718 -22.752 1.00 12.41 C ATOM 483 CG1 VAL A 32 23.482 -6.072 -23.436 1.00 75.44 C ATOM 484 CG2 VAL A 32 22.632 -4.641 -21.564 1.00 63.22 C ATOM 0 H VAL A 32 25.581 -4.891 -24.277 1.00 34.01 H new ATOM 0 HA VAL A 32 25.077 -3.451 -21.851 1.00 34.21 H new ATOM 0 HB VAL A 32 23.287 -3.953 -23.471 1.00 12.41 H new ATOM 0 HG11 VAL A 32 22.452 -6.250 -23.745 1.00 75.44 H new ATOM 0 HG12 VAL A 32 24.131 -6.085 -24.312 1.00 75.44 H new ATOM 0 HG13 VAL A 32 23.793 -6.853 -22.743 1.00 75.44 H new ATOM 0 HG21 VAL A 32 21.613 -4.839 -21.898 1.00 63.22 H new ATOM 0 HG22 VAL A 32 22.921 -5.383 -20.819 1.00 63.22 H new ATOM 0 HG23 VAL A 32 22.682 -3.646 -21.123 1.00 63.22 H new ATOM 494 N MET A 33 25.945 -6.619 -21.763 1.00 13.04 N ATOM 495 CA MET A 33 26.379 -7.700 -20.886 1.00 34.35 C ATOM 496 C MET A 33 27.461 -7.219 -19.924 1.00 72.31 C ATOM 497 O MET A 33 27.278 -7.241 -18.707 1.00 4.34 O ATOM 498 CB MET A 33 26.901 -8.877 -21.712 1.00 34.43 C ATOM 499 CG MET A 33 26.936 -10.190 -20.945 1.00 1.50 C ATOM 500 SD MET A 33 27.847 -11.479 -21.817 1.00 12.25 S ATOM 501 CE MET A 33 27.178 -11.308 -23.469 1.00 53.32 C ATOM 0 H MET A 33 26.063 -6.809 -22.758 1.00 13.04 H new ATOM 0 HA MET A 33 25.519 -8.028 -20.302 1.00 34.35 H new ATOM 0 HB2 MET A 33 26.273 -8.998 -22.595 1.00 34.43 H new ATOM 0 HB3 MET A 33 27.906 -8.645 -22.065 1.00 34.43 H new ATOM 0 HG2 MET A 33 27.393 -10.024 -19.969 1.00 1.50 H new ATOM 0 HG3 MET A 33 25.916 -10.529 -20.766 1.00 1.50 H new ATOM 0 HE1 MET A 33 27.292 -12.249 -24.007 1.00 53.32 H new ATOM 0 HE2 MET A 33 26.121 -11.050 -23.408 1.00 53.32 H new ATOM 0 HE3 MET A 33 27.714 -10.520 -23.999 1.00 53.32 H new ATOM 511 N LYS A 34 28.588 -6.786 -20.478 1.00 40.10 N ATOM 512 CA LYS A 34 29.700 -6.298 -19.670 1.00 71.55 C ATOM 513 C LYS A 34 29.309 -5.033 -18.913 1.00 70.35 C ATOM 514 O LYS A 34 29.930 -4.682 -17.910 1.00 13.01 O ATOM 515 CB LYS A 34 30.917 -6.020 -20.556 1.00 33.31 C ATOM 516 CG LYS A 34 32.134 -5.542 -19.784 1.00 1.21 C ATOM 517 CD LYS A 34 33.256 -5.119 -20.718 1.00 12.14 C ATOM 518 CE LYS A 34 34.589 -5.043 -19.989 1.00 13.21 C ATOM 519 NZ LYS A 34 35.682 -4.567 -20.881 1.00 1.22 N ATOM 0 H LYS A 34 28.756 -6.763 -21.484 1.00 40.10 H new ATOM 0 HA LYS A 34 29.955 -7.070 -18.944 1.00 71.55 H new ATOM 0 HB2 LYS A 34 31.176 -6.929 -21.099 1.00 33.31 H new ATOM 0 HB3 LYS A 34 30.651 -5.269 -21.300 1.00 33.31 H new ATOM 0 HG2 LYS A 34 31.855 -4.704 -19.146 1.00 1.21 H new ATOM 0 HG3 LYS A 34 32.486 -6.338 -19.128 1.00 1.21 H new ATOM 0 HD2 LYS A 34 33.331 -5.828 -21.543 1.00 12.14 H new ATOM 0 HD3 LYS A 34 33.022 -4.147 -21.153 1.00 12.14 H new ATOM 0 HE2 LYS A 34 34.498 -4.371 -19.135 1.00 13.21 H new ATOM 0 HE3 LYS A 34 34.844 -6.027 -19.595 1.00 13.21 H new ATOM 0 HZ1 LYS A 34 36.574 -4.529 -20.347 1.00 1.22 H new ATOM 0 HZ2 LYS A 34 35.786 -5.222 -21.683 1.00 1.22 H new ATOM 0 HZ3 LYS A 34 35.451 -3.618 -21.237 1.00 1.22 H new ATOM 533 N TYR A 35 28.276 -4.354 -19.400 1.00 3.14 N ATOM 534 CA TYR A 35 27.803 -3.127 -18.769 1.00 64.21 C ATOM 535 C TYR A 35 27.106 -3.429 -17.446 1.00 52.42 C ATOM 536 O TYR A 35 27.370 -2.784 -16.430 1.00 52.03 O ATOM 537 CB TYR A 35 26.848 -2.384 -19.704 1.00 42.34 C ATOM 538 CG TYR A 35 25.818 -1.548 -18.978 1.00 61.35 C ATOM 539 CD1 TYR A 35 26.192 -0.421 -18.258 1.00 15.31 C ATOM 540 CD2 TYR A 35 24.471 -1.886 -19.014 1.00 73.32 C ATOM 541 CE1 TYR A 35 25.254 0.345 -17.593 1.00 33.14 C ATOM 542 CE2 TYR A 35 23.526 -1.126 -18.353 1.00 53.31 C ATOM 543 CZ TYR A 35 23.922 -0.011 -17.643 1.00 61.54 C ATOM 544 OH TYR A 35 22.985 0.749 -16.983 1.00 53.42 O ATOM 0 H TYR A 35 27.751 -4.632 -20.229 1.00 3.14 H new ATOM 0 HA TYR A 35 28.668 -2.495 -18.567 1.00 64.21 H new ATOM 0 HB2 TYR A 35 27.428 -1.739 -20.364 1.00 42.34 H new ATOM 0 HB3 TYR A 35 26.335 -3.109 -20.337 1.00 42.34 H new ATOM 0 HD1 TYR A 35 27.234 -0.139 -18.217 1.00 15.31 H new ATOM 0 HD2 TYR A 35 24.157 -2.758 -19.568 1.00 73.32 H new ATOM 0 HE1 TYR A 35 25.562 1.218 -17.037 1.00 33.14 H new ATOM 0 HE2 TYR A 35 22.483 -1.403 -18.392 1.00 53.31 H new ATOM 0 HH TYR A 35 22.118 0.662 -17.432 1.00 53.42 H new ATOM 554 N LEU A 36 26.214 -4.413 -17.466 1.00 62.12 N ATOM 555 CA LEU A 36 25.477 -4.803 -16.269 1.00 5.52 C ATOM 556 C LEU A 36 26.410 -5.425 -15.234 1.00 53.41 C ATOM 557 O LEU A 36 26.287 -5.165 -14.036 1.00 43.43 O ATOM 558 CB LEU A 36 24.365 -5.789 -16.629 1.00 24.34 C ATOM 559 CG LEU A 36 23.162 -5.204 -17.369 1.00 1.24 C ATOM 560 CD1 LEU A 36 22.133 -6.286 -17.654 1.00 72.33 C ATOM 561 CD2 LEU A 36 22.540 -4.073 -16.563 1.00 53.54 C ATOM 0 H LEU A 36 25.983 -4.956 -18.298 1.00 62.12 H new ATOM 0 HA LEU A 36 25.032 -3.906 -15.838 1.00 5.52 H new ATOM 0 HB2 LEU A 36 24.794 -6.581 -17.243 1.00 24.34 H new ATOM 0 HB3 LEU A 36 24.009 -6.256 -15.710 1.00 24.34 H new ATOM 0 HG LEU A 36 23.506 -4.799 -18.321 1.00 1.24 H new ATOM 0 HD11 LEU A 36 21.284 -5.851 -18.181 1.00 72.33 H new ATOM 0 HD12 LEU A 36 22.584 -7.063 -18.271 1.00 72.33 H new ATOM 0 HD13 LEU A 36 21.792 -6.721 -16.714 1.00 72.33 H new ATOM 0 HD21 LEU A 36 21.685 -3.668 -17.104 1.00 53.54 H new ATOM 0 HD22 LEU A 36 22.210 -4.454 -15.596 1.00 53.54 H new ATOM 0 HD23 LEU A 36 23.279 -3.286 -16.410 1.00 53.54 H new ATOM 573 N LEU A 37 27.342 -6.246 -15.704 1.00 5.42 N ATOM 574 CA LEU A 37 28.298 -6.904 -14.820 1.00 2.44 C ATOM 575 C LEU A 37 29.164 -5.878 -14.094 1.00 61.53 C ATOM 576 O LEU A 37 29.358 -5.962 -12.881 1.00 64.25 O ATOM 577 CB LEU A 37 29.184 -7.863 -15.617 1.00 35.12 C ATOM 578 CG LEU A 37 28.563 -9.216 -15.966 1.00 35.23 C ATOM 579 CD1 LEU A 37 29.491 -10.013 -16.869 1.00 2.31 C ATOM 580 CD2 LEU A 37 28.245 -9.999 -14.700 1.00 60.52 C ATOM 0 H LEU A 37 27.456 -6.472 -16.692 1.00 5.42 H new ATOM 0 HA LEU A 37 27.737 -7.470 -14.077 1.00 2.44 H new ATOM 0 HB2 LEU A 37 29.477 -7.370 -16.544 1.00 35.12 H new ATOM 0 HB3 LEU A 37 30.097 -8.040 -15.048 1.00 35.12 H new ATOM 0 HG LEU A 37 27.632 -9.039 -16.504 1.00 35.23 H new ATOM 0 HD11 LEU A 37 29.032 -10.973 -17.106 1.00 2.31 H new ATOM 0 HD12 LEU A 37 29.668 -9.458 -17.790 1.00 2.31 H new ATOM 0 HD13 LEU A 37 30.439 -10.181 -16.359 1.00 2.31 H new ATOM 0 HD21 LEU A 37 27.804 -10.959 -14.967 1.00 60.52 H new ATOM 0 HD22 LEU A 37 29.162 -10.166 -14.135 1.00 60.52 H new ATOM 0 HD23 LEU A 37 27.541 -9.433 -14.090 1.00 60.52 H new ATOM 592 N ASP A 38 29.680 -4.911 -14.844 1.00 70.04 N ATOM 593 CA ASP A 38 30.523 -3.867 -14.273 1.00 35.13 C ATOM 594 C ASP A 38 29.784 -3.117 -13.168 1.00 64.12 C ATOM 595 O ASP A 38 30.280 -2.999 -12.048 1.00 34.32 O ATOM 596 CB ASP A 38 30.968 -2.889 -15.361 1.00 2.24 C ATOM 597 CG ASP A 38 32.267 -2.189 -15.013 1.00 2.31 C ATOM 598 OD1 ASP A 38 32.277 -1.405 -14.040 1.00 65.40 O ATOM 599 OD2 ASP A 38 33.274 -2.425 -15.713 1.00 53.30 O ATOM 0 H ASP A 38 29.529 -4.828 -15.849 1.00 70.04 H new ATOM 0 HA ASP A 38 31.404 -4.341 -13.840 1.00 35.13 H new ATOM 0 HB2 ASP A 38 31.089 -3.427 -16.302 1.00 2.24 H new ATOM 0 HB3 ASP A 38 30.188 -2.144 -15.517 1.00 2.24 H new ATOM 604 N GLN A 39 28.599 -2.612 -13.493 1.00 51.44 N ATOM 605 CA GLN A 39 27.794 -1.871 -12.529 1.00 20.52 C ATOM 606 C GLN A 39 27.505 -2.721 -11.296 1.00 13.14 C ATOM 607 O GLN A 39 27.267 -2.195 -10.209 1.00 52.02 O ATOM 608 CB GLN A 39 26.481 -1.418 -13.170 1.00 3.23 C ATOM 609 CG GLN A 39 26.644 -0.250 -14.129 1.00 64.02 C ATOM 610 CD GLN A 39 27.162 1.000 -13.445 1.00 25.40 C ATOM 611 OE1 GLN A 39 26.910 1.223 -12.261 1.00 21.24 O ATOM 612 NE2 GLN A 39 27.892 1.823 -14.189 1.00 21.22 N ATOM 0 H GLN A 39 28.175 -2.702 -14.416 1.00 51.44 H new ATOM 0 HA GLN A 39 28.360 -0.993 -12.219 1.00 20.52 H new ATOM 0 HB2 GLN A 39 26.039 -2.258 -13.706 1.00 3.23 H new ATOM 0 HB3 GLN A 39 25.780 -1.137 -12.384 1.00 3.23 H new ATOM 0 HG2 GLN A 39 27.330 -0.533 -14.927 1.00 64.02 H new ATOM 0 HG3 GLN A 39 25.684 -0.032 -14.596 1.00 64.02 H new ATOM 0 HE21 GLN A 39 28.076 1.599 -15.167 1.00 21.22 H new ATOM 0 HE22 GLN A 39 28.268 2.679 -13.783 1.00 21.22 H new ATOM 621 N GLY A 40 27.526 -4.039 -11.472 1.00 44.41 N ATOM 622 CA GLY A 40 27.264 -4.940 -10.365 1.00 42.31 C ATOM 623 C GLY A 40 25.888 -5.571 -10.444 1.00 42.55 C ATOM 624 O GLY A 40 25.106 -5.492 -9.497 1.00 10.21 O ATOM 0 H GLY A 40 27.720 -4.499 -12.362 1.00 44.41 H new ATOM 0 HA2 GLY A 40 28.020 -5.725 -10.353 1.00 42.31 H new ATOM 0 HA3 GLY A 40 27.356 -4.394 -9.426 1.00 42.31 H new ATOM 628 N TYR A 41 25.591 -6.197 -11.578 1.00 12.44 N ATOM 629 CA TYR A 41 24.298 -6.840 -11.779 1.00 11.12 C ATOM 630 C TYR A 41 24.472 -8.309 -12.150 1.00 64.32 C ATOM 631 O TYR A 41 25.578 -8.757 -12.457 1.00 32.44 O ATOM 632 CB TYR A 41 23.509 -6.116 -12.871 1.00 61.34 C ATOM 633 CG TYR A 41 22.966 -4.773 -12.438 1.00 22.41 C ATOM 634 CD1 TYR A 41 23.716 -3.615 -12.597 1.00 11.52 C ATOM 635 CD2 TYR A 41 21.703 -4.663 -11.870 1.00 73.52 C ATOM 636 CE1 TYR A 41 23.224 -2.386 -12.201 1.00 40.23 C ATOM 637 CE2 TYR A 41 21.202 -3.439 -11.473 1.00 41.41 C ATOM 638 CZ TYR A 41 21.967 -2.303 -11.640 1.00 53.23 C ATOM 639 OH TYR A 41 21.473 -1.080 -11.246 1.00 74.44 O ATOM 0 H TYR A 41 26.228 -6.273 -12.371 1.00 12.44 H new ATOM 0 HA TYR A 41 23.743 -6.784 -10.842 1.00 11.12 H new ATOM 0 HB2 TYR A 41 24.153 -5.975 -13.739 1.00 61.34 H new ATOM 0 HB3 TYR A 41 22.680 -6.748 -13.188 1.00 61.34 H new ATOM 0 HD1 TYR A 41 24.700 -3.676 -13.038 1.00 11.52 H new ATOM 0 HD2 TYR A 41 21.102 -5.551 -11.737 1.00 73.52 H new ATOM 0 HE1 TYR A 41 23.821 -1.495 -12.330 1.00 40.23 H new ATOM 0 HE2 TYR A 41 20.217 -3.371 -11.034 1.00 41.41 H new ATOM 0 HH TYR A 41 20.575 -1.195 -10.872 1.00 74.44 H new ATOM 649 N HIS A 42 23.372 -9.055 -12.121 1.00 43.13 N ATOM 650 CA HIS A 42 23.402 -10.474 -12.456 1.00 72.31 C ATOM 651 C HIS A 42 22.874 -10.711 -13.868 1.00 10.40 C ATOM 652 O HIS A 42 21.698 -10.480 -14.149 1.00 33.13 O ATOM 653 CB HIS A 42 22.575 -11.275 -11.449 1.00 52.44 C ATOM 654 CG HIS A 42 23.079 -12.668 -11.233 1.00 63.12 C ATOM 655 ND1 HIS A 42 24.084 -12.975 -10.340 1.00 44.43 N ATOM 656 CD2 HIS A 42 22.710 -13.841 -11.799 1.00 21.10 C ATOM 657 CE1 HIS A 42 24.313 -14.275 -10.368 1.00 30.54 C ATOM 658 NE2 HIS A 42 23.492 -14.825 -11.244 1.00 52.54 N ATOM 0 H HIS A 42 22.449 -8.700 -11.869 1.00 43.13 H new ATOM 0 HA HIS A 42 24.438 -10.810 -12.413 1.00 72.31 H new ATOM 0 HB2 HIS A 42 22.569 -10.748 -10.495 1.00 52.44 H new ATOM 0 HB3 HIS A 42 21.542 -11.321 -11.794 1.00 52.44 H new ATOM 0 HD2 HIS A 42 21.944 -13.978 -12.548 1.00 21.10 H new ATOM 0 HE1 HIS A 42 25.047 -14.800 -9.775 1.00 30.54 H new ATOM 0 HE2 HIS A 42 23.446 -15.818 -11.471 1.00 52.54 H new ATOM 666 N VAL A 43 23.752 -11.171 -14.753 1.00 71.05 N ATOM 667 CA VAL A 43 23.375 -11.439 -16.136 1.00 55.31 C ATOM 668 C VAL A 43 23.338 -12.937 -16.416 1.00 32.05 C ATOM 669 O VAL A 43 24.167 -13.693 -15.909 1.00 62.43 O ATOM 670 CB VAL A 43 24.347 -10.767 -17.124 1.00 23.24 C ATOM 671 CG1 VAL A 43 23.951 -9.318 -17.361 1.00 44.11 C ATOM 672 CG2 VAL A 43 25.776 -10.861 -16.610 1.00 41.10 C ATOM 0 H VAL A 43 24.730 -11.366 -14.537 1.00 71.05 H new ATOM 0 HA VAL A 43 22.378 -11.021 -16.278 1.00 55.31 H new ATOM 0 HB VAL A 43 24.292 -11.293 -18.077 1.00 23.24 H new ATOM 0 HG11 VAL A 43 24.649 -8.860 -18.062 1.00 44.11 H new ATOM 0 HG12 VAL A 43 22.944 -9.279 -17.775 1.00 44.11 H new ATOM 0 HG13 VAL A 43 23.976 -8.775 -16.416 1.00 44.11 H new ATOM 0 HG21 VAL A 43 26.450 -10.382 -17.320 1.00 41.10 H new ATOM 0 HG22 VAL A 43 25.849 -10.360 -15.645 1.00 41.10 H new ATOM 0 HG23 VAL A 43 26.054 -11.909 -16.497 1.00 41.10 H new ATOM 682 N ILE A 44 22.372 -13.359 -17.224 1.00 52.14 N ATOM 683 CA ILE A 44 22.228 -14.767 -17.572 1.00 63.05 C ATOM 684 C ILE A 44 22.117 -14.952 -19.082 1.00 53.51 C ATOM 685 O ILE A 44 21.033 -15.159 -19.629 1.00 2.32 O ATOM 686 CB ILE A 44 20.992 -15.391 -16.898 1.00 2.53 C ATOM 687 CG1 ILE A 44 21.085 -15.243 -15.378 1.00 0.04 C ATOM 688 CG2 ILE A 44 20.859 -16.856 -17.286 1.00 3.50 C ATOM 689 CD1 ILE A 44 19.758 -15.415 -14.672 1.00 24.33 C ATOM 0 H ILE A 44 21.677 -12.746 -17.650 1.00 52.14 H new ATOM 0 HA ILE A 44 23.123 -15.274 -17.211 1.00 63.05 H new ATOM 0 HB ILE A 44 20.103 -14.863 -17.243 1.00 2.53 H new ATOM 0 HG12 ILE A 44 21.791 -15.978 -14.992 1.00 0.04 H new ATOM 0 HG13 ILE A 44 21.489 -14.259 -15.141 1.00 0.04 H new ATOM 0 HG21 ILE A 44 19.981 -17.282 -16.801 1.00 3.50 H new ATOM 0 HG22 ILE A 44 20.752 -16.938 -18.368 1.00 3.50 H new ATOM 0 HG23 ILE A 44 21.749 -17.399 -16.967 1.00 3.50 H new ATOM 0 HD11 ILE A 44 19.899 -15.297 -13.598 1.00 24.33 H new ATOM 0 HD12 ILE A 44 19.055 -14.663 -15.030 1.00 24.33 H new ATOM 0 HD13 ILE A 44 19.362 -16.409 -14.879 1.00 24.33 H new ATOM 701 N PRO A 45 23.264 -14.877 -19.774 1.00 14.34 N ATOM 702 CA PRO A 45 23.322 -15.035 -21.230 1.00 33.12 C ATOM 703 C PRO A 45 23.036 -16.467 -21.669 1.00 21.20 C ATOM 704 O PRO A 45 23.680 -17.409 -21.206 1.00 73.12 O ATOM 705 CB PRO A 45 24.763 -14.648 -21.571 1.00 72.34 C ATOM 706 CG PRO A 45 25.533 -14.917 -20.325 1.00 31.41 C ATOM 707 CD PRO A 45 24.592 -14.632 -19.187 1.00 60.21 C ATOM 0 HA PRO A 45 22.572 -14.428 -21.737 1.00 33.12 H new ATOM 0 HB2 PRO A 45 25.144 -15.236 -22.406 1.00 72.34 H new ATOM 0 HB3 PRO A 45 24.833 -13.600 -21.861 1.00 72.34 H new ATOM 0 HG2 PRO A 45 25.879 -15.950 -20.296 1.00 31.41 H new ATOM 0 HG3 PRO A 45 26.418 -14.283 -20.268 1.00 31.41 H new ATOM 0 HD2 PRO A 45 24.782 -15.285 -18.335 1.00 60.21 H new ATOM 0 HD3 PRO A 45 24.691 -13.607 -18.831 1.00 60.21 H new ATOM 715 N VAL A 46 22.067 -16.624 -22.565 1.00 62.43 N ATOM 716 CA VAL A 46 21.698 -17.942 -23.068 1.00 54.04 C ATOM 717 C VAL A 46 21.887 -18.027 -24.579 1.00 3.33 C ATOM 718 O VAL A 46 21.306 -17.246 -25.332 1.00 62.14 O ATOM 719 CB VAL A 46 20.235 -18.284 -22.726 1.00 3.42 C ATOM 720 CG1 VAL A 46 19.891 -19.689 -23.196 1.00 12.33 C ATOM 721 CG2 VAL A 46 19.990 -18.137 -21.232 1.00 25.35 C ATOM 0 H VAL A 46 21.523 -15.855 -22.957 1.00 62.43 H new ATOM 0 HA VAL A 46 22.356 -18.662 -22.581 1.00 54.04 H new ATOM 0 HB VAL A 46 19.584 -17.583 -23.249 1.00 3.42 H new ATOM 0 HG11 VAL A 46 18.854 -19.913 -22.946 1.00 12.33 H new ATOM 0 HG12 VAL A 46 20.026 -19.755 -24.276 1.00 12.33 H new ATOM 0 HG13 VAL A 46 20.546 -20.408 -22.704 1.00 12.33 H new ATOM 0 HG21 VAL A 46 18.952 -18.382 -21.008 1.00 25.35 H new ATOM 0 HG22 VAL A 46 20.649 -18.813 -20.687 1.00 25.35 H new ATOM 0 HG23 VAL A 46 20.194 -17.110 -20.929 1.00 25.35 H new ATOM 731 N SER A 47 22.705 -18.980 -25.014 1.00 75.33 N ATOM 732 CA SER A 47 22.974 -19.166 -26.435 1.00 40.44 C ATOM 733 C SER A 47 23.188 -20.641 -26.760 1.00 11.11 C ATOM 734 O SER A 47 23.613 -21.433 -25.918 1.00 55.22 O ATOM 735 CB SER A 47 24.204 -18.357 -26.853 1.00 14.53 C ATOM 736 OG SER A 47 24.960 -19.047 -27.832 1.00 22.01 O ATOM 0 H SER A 47 23.193 -19.635 -24.403 1.00 75.33 H new ATOM 0 HA SER A 47 22.107 -18.811 -26.992 1.00 40.44 H new ATOM 0 HB2 SER A 47 23.891 -17.390 -27.246 1.00 14.53 H new ATOM 0 HB3 SER A 47 24.827 -18.160 -25.981 1.00 14.53 H new ATOM 0 HG SER A 47 25.691 -18.474 -28.145 1.00 22.01 H new ATOM 742 N PRO A 48 22.887 -21.020 -28.011 1.00 33.54 N ATOM 743 CA PRO A 48 23.038 -22.402 -28.477 1.00 30.03 C ATOM 744 C PRO A 48 24.501 -22.816 -28.599 1.00 15.23 C ATOM 745 O PRO A 48 24.809 -23.987 -28.822 1.00 11.24 O ATOM 746 CB PRO A 48 22.370 -22.387 -29.854 1.00 11.11 C ATOM 747 CG PRO A 48 22.471 -20.972 -30.309 1.00 2.15 C ATOM 748 CD PRO A 48 22.376 -20.130 -29.066 1.00 52.03 C ATOM 0 HA PRO A 48 22.597 -23.117 -27.782 1.00 30.03 H new ATOM 0 HB2 PRO A 48 22.874 -23.062 -30.546 1.00 11.11 H new ATOM 0 HB3 PRO A 48 21.331 -22.710 -29.793 1.00 11.11 H new ATOM 0 HG2 PRO A 48 23.413 -20.795 -30.829 1.00 2.15 H new ATOM 0 HG3 PRO A 48 21.670 -20.728 -31.008 1.00 2.15 H new ATOM 0 HD2 PRO A 48 22.973 -19.222 -29.149 1.00 52.03 H new ATOM 0 HD3 PRO A 48 21.350 -19.820 -28.868 1.00 52.03 H new ATOM 756 N LYS A 49 25.399 -21.848 -28.451 1.00 13.03 N ATOM 757 CA LYS A 49 26.830 -22.111 -28.542 1.00 71.14 C ATOM 758 C LYS A 49 27.476 -22.090 -27.161 1.00 25.20 C ATOM 759 O LYS A 49 28.417 -22.839 -26.893 1.00 54.42 O ATOM 760 CB LYS A 49 27.503 -21.077 -29.448 1.00 14.34 C ATOM 761 CG LYS A 49 27.250 -21.308 -30.927 1.00 44.15 C ATOM 762 CD LYS A 49 27.942 -20.259 -31.782 1.00 12.43 C ATOM 763 CE LYS A 49 29.443 -20.493 -31.846 1.00 62.32 C ATOM 764 NZ LYS A 49 30.104 -19.592 -32.831 1.00 13.05 N ATOM 0 H LYS A 49 25.161 -20.873 -28.267 1.00 13.03 H new ATOM 0 HA LYS A 49 26.965 -23.104 -28.971 1.00 71.14 H new ATOM 0 HB2 LYS A 49 27.147 -20.083 -29.178 1.00 14.34 H new ATOM 0 HB3 LYS A 49 28.577 -21.091 -29.265 1.00 14.34 H new ATOM 0 HG2 LYS A 49 27.606 -22.299 -31.207 1.00 44.15 H new ATOM 0 HG3 LYS A 49 26.178 -21.287 -31.121 1.00 44.15 H new ATOM 0 HD2 LYS A 49 27.527 -20.278 -32.790 1.00 12.43 H new ATOM 0 HD3 LYS A 49 27.744 -19.268 -31.374 1.00 12.43 H new ATOM 0 HE2 LYS A 49 29.878 -20.333 -30.859 1.00 62.32 H new ATOM 0 HE3 LYS A 49 29.637 -21.531 -32.116 1.00 62.32 H new ATOM 0 HZ1 LYS A 49 31.126 -19.783 -32.845 1.00 13.05 H new ATOM 0 HZ2 LYS A 49 29.707 -19.762 -33.777 1.00 13.05 H new ATOM 0 HZ3 LYS A 49 29.940 -18.601 -32.560 1.00 13.05 H new ATOM 778 N VAL A 50 26.966 -21.229 -26.286 1.00 73.43 N ATOM 779 CA VAL A 50 27.492 -21.113 -24.931 1.00 72.35 C ATOM 780 C VAL A 50 26.961 -22.229 -24.038 1.00 55.42 C ATOM 781 O VAL A 50 27.371 -22.363 -22.886 1.00 34.22 O ATOM 782 CB VAL A 50 27.132 -19.753 -24.305 1.00 23.15 C ATOM 783 CG1 VAL A 50 25.640 -19.674 -24.019 1.00 43.03 C ATOM 784 CG2 VAL A 50 27.939 -19.522 -23.036 1.00 1.03 C ATOM 0 H VAL A 50 26.189 -20.601 -26.492 1.00 73.43 H new ATOM 0 HA VAL A 50 28.576 -21.196 -25.003 1.00 72.35 H new ATOM 0 HB VAL A 50 27.383 -18.967 -25.017 1.00 23.15 H new ATOM 0 HG11 VAL A 50 25.405 -18.706 -23.577 1.00 43.03 H new ATOM 0 HG12 VAL A 50 25.084 -19.793 -24.949 1.00 43.03 H new ATOM 0 HG13 VAL A 50 25.360 -20.467 -23.326 1.00 43.03 H new ATOM 0 HG21 VAL A 50 27.673 -18.556 -22.606 1.00 1.03 H new ATOM 0 HG22 VAL A 50 27.721 -20.312 -22.317 1.00 1.03 H new ATOM 0 HG23 VAL A 50 29.003 -19.532 -23.274 1.00 1.03 H new ATOM 794 N ALA A 51 26.045 -23.027 -24.578 1.00 45.25 N ATOM 795 CA ALA A 51 25.459 -24.133 -23.831 1.00 45.33 C ATOM 796 C ALA A 51 26.540 -25.065 -23.293 1.00 14.44 C ATOM 797 O ALA A 51 27.076 -25.897 -24.023 1.00 13.03 O ATOM 798 CB ALA A 51 24.484 -24.904 -24.708 1.00 52.41 C ATOM 0 H ALA A 51 25.693 -22.928 -25.530 1.00 45.25 H new ATOM 0 HA ALA A 51 24.917 -23.719 -22.981 1.00 45.33 H new ATOM 0 HB1 ALA A 51 24.054 -25.727 -24.137 1.00 52.41 H new ATOM 0 HB2 ALA A 51 23.688 -24.238 -25.040 1.00 52.41 H new ATOM 0 HB3 ALA A 51 25.011 -25.301 -25.576 1.00 52.41 H new ATOM 804 N GLY A 52 26.855 -24.918 -22.009 1.00 61.12 N ATOM 805 CA GLY A 52 27.871 -25.753 -21.395 1.00 72.10 C ATOM 806 C GLY A 52 29.206 -25.046 -21.272 1.00 31.11 C ATOM 807 O GLY A 52 30.247 -25.689 -21.135 1.00 43.42 O ATOM 0 H GLY A 52 26.425 -24.236 -21.384 1.00 61.12 H new ATOM 0 HA2 GLY A 52 27.534 -26.061 -20.405 1.00 72.10 H new ATOM 0 HA3 GLY A 52 27.997 -26.660 -21.986 1.00 72.10 H new ATOM 811 N LYS A 53 29.177 -23.719 -21.322 1.00 5.32 N ATOM 812 CA LYS A 53 30.394 -22.922 -21.215 1.00 62.34 C ATOM 813 C LYS A 53 30.179 -21.720 -20.301 1.00 64.32 C ATOM 814 O LYS A 53 29.053 -21.423 -19.903 1.00 14.11 O ATOM 815 CB LYS A 53 30.842 -22.450 -22.600 1.00 54.54 C ATOM 816 CG LYS A 53 30.885 -23.559 -23.637 1.00 52.21 C ATOM 817 CD LYS A 53 31.439 -23.062 -24.962 1.00 75.32 C ATOM 818 CE LYS A 53 32.881 -22.599 -24.825 1.00 54.30 C ATOM 819 NZ LYS A 53 33.748 -23.652 -24.228 1.00 74.24 N ATOM 0 H LYS A 53 28.324 -23.172 -21.436 1.00 5.32 H new ATOM 0 HA LYS A 53 31.173 -23.550 -20.782 1.00 62.34 H new ATOM 0 HB2 LYS A 53 30.165 -21.668 -22.945 1.00 54.54 H new ATOM 0 HB3 LYS A 53 31.832 -22.001 -22.519 1.00 54.54 H new ATOM 0 HG2 LYS A 53 31.501 -24.379 -23.269 1.00 52.21 H new ATOM 0 HG3 LYS A 53 29.881 -23.957 -23.787 1.00 52.21 H new ATOM 0 HD2 LYS A 53 31.381 -23.859 -25.704 1.00 75.32 H new ATOM 0 HD3 LYS A 53 30.825 -22.239 -25.329 1.00 75.32 H new ATOM 0 HE2 LYS A 53 33.268 -22.323 -25.806 1.00 54.30 H new ATOM 0 HE3 LYS A 53 32.917 -21.704 -24.204 1.00 54.30 H new ATOM 0 HZ1 LYS A 53 34.747 -23.416 -24.396 1.00 74.24 H new ATOM 0 HZ2 LYS A 53 33.573 -23.707 -23.204 1.00 74.24 H new ATOM 0 HZ3 LYS A 53 33.531 -24.570 -24.666 1.00 74.24 H new ATOM 833 N THR A 54 31.267 -21.030 -19.972 1.00 64.45 N ATOM 834 CA THR A 54 31.198 -19.861 -19.106 1.00 11.31 C ATOM 835 C THR A 54 31.652 -18.604 -19.840 1.00 73.55 C ATOM 836 O THR A 54 32.791 -18.520 -20.302 1.00 12.24 O ATOM 837 CB THR A 54 32.062 -20.044 -17.844 1.00 61.31 C ATOM 838 OG1 THR A 54 32.605 -21.369 -17.810 1.00 73.04 O ATOM 839 CG2 THR A 54 31.244 -19.794 -16.586 1.00 54.05 C ATOM 0 H THR A 54 32.207 -21.262 -20.293 1.00 64.45 H new ATOM 0 HA THR A 54 30.155 -19.749 -18.810 1.00 11.31 H new ATOM 0 HB THR A 54 32.875 -19.319 -17.879 1.00 61.31 H new ATOM 0 HG1 THR A 54 33.154 -21.477 -17.006 1.00 73.04 H new ATOM 0 HG21 THR A 54 31.876 -19.929 -15.708 1.00 54.05 H new ATOM 0 HG22 THR A 54 30.856 -18.775 -16.601 1.00 54.05 H new ATOM 0 HG23 THR A 54 30.413 -20.498 -16.547 1.00 54.05 H new ATOM 847 N LEU A 55 30.755 -17.630 -19.946 1.00 20.12 N ATOM 848 CA LEU A 55 31.064 -16.376 -20.624 1.00 71.14 C ATOM 849 C LEU A 55 31.124 -15.220 -19.631 1.00 63.02 C ATOM 850 O LEU A 55 30.127 -14.884 -18.991 1.00 73.34 O ATOM 851 CB LEU A 55 30.017 -16.085 -21.701 1.00 12.42 C ATOM 852 CG LEU A 55 30.460 -16.309 -23.147 1.00 5.42 C ATOM 853 CD1 LEU A 55 29.270 -16.226 -24.089 1.00 51.34 C ATOM 854 CD2 LEU A 55 31.526 -15.296 -23.541 1.00 24.44 C ATOM 0 H LEU A 55 29.808 -17.684 -19.571 1.00 20.12 H new ATOM 0 HA LEU A 55 32.042 -16.477 -21.094 1.00 71.14 H new ATOM 0 HB2 LEU A 55 29.144 -16.709 -21.509 1.00 12.42 H new ATOM 0 HB3 LEU A 55 29.697 -15.048 -21.597 1.00 12.42 H new ATOM 0 HG LEU A 55 30.889 -17.308 -23.225 1.00 5.42 H new ATOM 0 HD11 LEU A 55 29.605 -16.388 -25.114 1.00 51.34 H new ATOM 0 HD12 LEU A 55 28.540 -16.990 -23.821 1.00 51.34 H new ATOM 0 HD13 LEU A 55 28.811 -15.241 -24.009 1.00 51.34 H new ATOM 0 HD21 LEU A 55 31.830 -15.470 -24.573 1.00 24.44 H new ATOM 0 HD22 LEU A 55 31.122 -14.288 -23.447 1.00 24.44 H new ATOM 0 HD23 LEU A 55 32.390 -15.404 -22.886 1.00 24.44 H new ATOM 866 N LEU A 56 32.300 -14.613 -19.509 1.00 34.24 N ATOM 867 CA LEU A 56 32.490 -13.492 -18.595 1.00 22.11 C ATOM 868 C LEU A 56 32.151 -13.893 -17.163 1.00 30.02 C ATOM 869 O LEU A 56 31.841 -13.045 -16.327 1.00 23.32 O ATOM 870 CB LEU A 56 31.624 -12.306 -19.023 1.00 71.44 C ATOM 871 CG LEU A 56 32.225 -11.386 -20.086 1.00 53.41 C ATOM 872 CD1 LEU A 56 31.241 -10.287 -20.459 1.00 21.24 C ATOM 873 CD2 LEU A 56 33.534 -10.787 -19.594 1.00 45.13 C ATOM 0 H LEU A 56 33.135 -14.878 -20.031 1.00 34.24 H new ATOM 0 HA LEU A 56 33.539 -13.200 -18.632 1.00 22.11 H new ATOM 0 HB2 LEU A 56 30.676 -12.691 -19.398 1.00 71.44 H new ATOM 0 HB3 LEU A 56 31.399 -11.709 -18.140 1.00 71.44 H new ATOM 0 HG LEU A 56 32.432 -11.979 -20.977 1.00 53.41 H new ATOM 0 HD11 LEU A 56 31.686 -9.642 -21.217 1.00 21.24 H new ATOM 0 HD12 LEU A 56 30.329 -10.734 -20.853 1.00 21.24 H new ATOM 0 HD13 LEU A 56 31.003 -9.696 -19.574 1.00 21.24 H new ATOM 0 HD21 LEU A 56 33.948 -10.135 -20.363 1.00 45.13 H new ATOM 0 HD22 LEU A 56 33.352 -10.209 -18.688 1.00 45.13 H new ATOM 0 HD23 LEU A 56 34.242 -11.587 -19.378 1.00 45.13 H new ATOM 885 N GLY A 57 32.214 -15.192 -16.887 1.00 32.24 N ATOM 886 CA GLY A 57 31.913 -15.683 -15.554 1.00 53.34 C ATOM 887 C GLY A 57 30.452 -16.054 -15.389 1.00 43.34 C ATOM 888 O GLY A 57 30.008 -16.373 -14.287 1.00 53.41 O ATOM 0 H GLY A 57 32.468 -15.913 -17.562 1.00 32.24 H new ATOM 0 HA2 GLY A 57 32.532 -16.555 -15.343 1.00 53.34 H new ATOM 0 HA3 GLY A 57 32.176 -14.920 -14.821 1.00 53.34 H new ATOM 892 N GLN A 58 29.705 -16.010 -16.487 1.00 74.24 N ATOM 893 CA GLN A 58 28.285 -16.342 -16.458 1.00 62.30 C ATOM 894 C GLN A 58 28.032 -17.707 -17.090 1.00 22.22 C ATOM 895 O GLN A 58 28.554 -18.011 -18.162 1.00 51.43 O ATOM 896 CB GLN A 58 27.474 -15.271 -17.188 1.00 51.24 C ATOM 897 CG GLN A 58 27.881 -13.850 -16.831 1.00 64.44 C ATOM 898 CD GLN A 58 28.136 -13.672 -15.348 1.00 4.13 C ATOM 899 OE1 GLN A 58 27.233 -13.833 -14.527 1.00 32.11 O ATOM 900 NE2 GLN A 58 29.372 -13.337 -14.995 1.00 62.33 N ATOM 0 H GLN A 58 30.059 -15.748 -17.407 1.00 74.24 H new ATOM 0 HA GLN A 58 27.968 -16.380 -15.416 1.00 62.30 H new ATOM 0 HB2 GLN A 58 27.585 -15.413 -18.263 1.00 51.24 H new ATOM 0 HB3 GLN A 58 26.418 -15.406 -16.956 1.00 51.24 H new ATOM 0 HG2 GLN A 58 28.781 -13.584 -17.385 1.00 64.44 H new ATOM 0 HG3 GLN A 58 27.097 -13.161 -17.146 1.00 64.44 H new ATOM 0 HE21 GLN A 58 30.090 -13.214 -15.708 1.00 62.33 H new ATOM 0 HE22 GLN A 58 29.603 -13.203 -14.010 1.00 62.33 H new ATOM 909 N GLN A 59 27.229 -18.525 -16.417 1.00 62.44 N ATOM 910 CA GLN A 59 26.909 -19.859 -16.913 1.00 54.55 C ATOM 911 C GLN A 59 26.190 -19.781 -18.256 1.00 70.34 C ATOM 912 O GLN A 59 25.368 -18.894 -18.482 1.00 33.52 O ATOM 913 CB GLN A 59 26.042 -20.608 -15.900 1.00 52.11 C ATOM 914 CG GLN A 59 25.799 -22.063 -16.266 1.00 31.32 C ATOM 915 CD GLN A 59 26.946 -22.967 -15.857 1.00 54.13 C ATOM 916 OE1 GLN A 59 27.050 -23.372 -14.699 1.00 51.21 O ATOM 917 NE2 GLN A 59 27.814 -23.289 -16.809 1.00 2.51 N ATOM 0 H GLN A 59 26.789 -18.288 -15.528 1.00 62.44 H new ATOM 0 HA GLN A 59 27.844 -20.402 -17.052 1.00 54.55 H new ATOM 0 HB2 GLN A 59 26.520 -20.563 -14.921 1.00 52.11 H new ATOM 0 HB3 GLN A 59 25.082 -20.100 -15.809 1.00 52.11 H new ATOM 0 HG2 GLN A 59 24.882 -22.406 -15.787 1.00 31.32 H new ATOM 0 HG3 GLN A 59 25.645 -22.142 -17.342 1.00 31.32 H new ATOM 0 HE21 GLN A 59 27.689 -22.930 -17.756 1.00 2.51 H new ATOM 0 HE22 GLN A 59 28.606 -23.895 -16.594 1.00 2.51 H new ATOM 926 N GLY A 60 26.507 -20.717 -19.146 1.00 72.15 N ATOM 927 CA GLY A 60 25.883 -20.736 -20.456 1.00 73.55 C ATOM 928 C GLY A 60 24.741 -21.730 -20.540 1.00 62.32 C ATOM 929 O GLY A 60 24.697 -22.701 -19.784 1.00 2.10 O ATOM 0 H GLY A 60 27.184 -21.462 -18.983 1.00 72.15 H new ATOM 0 HA2 GLY A 60 25.511 -19.739 -20.692 1.00 73.55 H new ATOM 0 HA3 GLY A 60 26.632 -20.983 -21.208 1.00 73.55 H new ATOM 933 N TYR A 61 23.814 -21.488 -21.460 1.00 44.04 N ATOM 934 CA TYR A 61 22.665 -22.367 -21.637 1.00 72.23 C ATOM 935 C TYR A 61 22.218 -22.393 -23.096 1.00 13.42 C ATOM 936 O TYR A 61 22.180 -21.359 -23.763 1.00 64.53 O ATOM 937 CB TYR A 61 21.508 -21.914 -20.745 1.00 53.05 C ATOM 938 CG TYR A 61 21.588 -22.445 -19.332 1.00 65.32 C ATOM 939 CD1 TYR A 61 21.156 -23.730 -19.026 1.00 5.31 C ATOM 940 CD2 TYR A 61 22.098 -21.663 -18.303 1.00 51.32 C ATOM 941 CE1 TYR A 61 21.228 -24.219 -17.736 1.00 12.31 C ATOM 942 CE2 TYR A 61 22.174 -22.144 -17.010 1.00 44.05 C ATOM 943 CZ TYR A 61 21.738 -23.422 -16.732 1.00 34.32 C ATOM 944 OH TYR A 61 21.812 -23.906 -15.446 1.00 33.32 O ATOM 0 H TYR A 61 23.836 -20.690 -22.095 1.00 44.04 H new ATOM 0 HA TYR A 61 22.963 -23.375 -21.350 1.00 72.23 H new ATOM 0 HB2 TYR A 61 21.489 -20.825 -20.714 1.00 53.05 H new ATOM 0 HB3 TYR A 61 20.568 -22.236 -21.192 1.00 53.05 H new ATOM 0 HD1 TYR A 61 20.757 -24.357 -19.810 1.00 5.31 H new ATOM 0 HD2 TYR A 61 22.441 -20.662 -18.518 1.00 51.32 H new ATOM 0 HE1 TYR A 61 20.887 -25.220 -17.515 1.00 12.31 H new ATOM 0 HE2 TYR A 61 22.573 -21.523 -16.222 1.00 44.05 H new ATOM 0 HH TYR A 61 22.196 -23.221 -14.860 1.00 33.32 H new ATOM 954 N ALA A 62 21.879 -23.582 -23.583 1.00 54.42 N ATOM 955 CA ALA A 62 21.431 -23.743 -24.961 1.00 23.10 C ATOM 956 C ALA A 62 20.074 -23.083 -25.178 1.00 71.14 C ATOM 957 O ALA A 62 19.739 -22.680 -26.293 1.00 34.02 O ATOM 958 CB ALA A 62 21.367 -25.219 -25.326 1.00 2.15 C ATOM 0 H ALA A 62 21.906 -24.448 -23.044 1.00 54.42 H new ATOM 0 HA ALA A 62 22.153 -23.250 -25.612 1.00 23.10 H new ATOM 0 HB1 ALA A 62 21.031 -25.324 -26.358 1.00 2.15 H new ATOM 0 HB2 ALA A 62 22.357 -25.663 -25.219 1.00 2.15 H new ATOM 0 HB3 ALA A 62 20.667 -25.728 -24.663 1.00 2.15 H new ATOM 964 N THR A 63 19.295 -22.976 -24.107 1.00 14.14 N ATOM 965 CA THR A 63 17.973 -22.367 -24.181 1.00 13.43 C ATOM 966 C THR A 63 17.482 -21.948 -22.799 1.00 42.35 C ATOM 967 O THR A 63 17.864 -22.539 -21.788 1.00 54.32 O ATOM 968 CB THR A 63 16.945 -23.328 -24.808 1.00 45.31 C ATOM 969 OG1 THR A 63 15.639 -22.744 -24.765 1.00 54.04 O ATOM 970 CG2 THR A 63 16.935 -24.661 -24.076 1.00 71.33 C ATOM 0 H THR A 63 19.557 -23.303 -23.177 1.00 14.14 H new ATOM 0 HA THR A 63 18.067 -21.484 -24.814 1.00 13.43 H new ATOM 0 HB THR A 63 17.229 -23.503 -25.846 1.00 45.31 H new ATOM 0 HG1 THR A 63 14.992 -23.360 -25.167 1.00 54.04 H new ATOM 0 HG21 THR A 63 16.202 -25.323 -24.536 1.00 71.33 H new ATOM 0 HG22 THR A 63 17.923 -25.116 -24.136 1.00 71.33 H new ATOM 0 HG23 THR A 63 16.673 -24.500 -23.030 1.00 71.33 H new ATOM 978 N LEU A 64 16.634 -20.926 -22.763 1.00 4.22 N ATOM 979 CA LEU A 64 16.090 -20.428 -21.504 1.00 42.22 C ATOM 980 C LEU A 64 15.216 -21.483 -20.834 1.00 14.51 C ATOM 981 O LEU A 64 14.897 -21.378 -19.650 1.00 2.22 O ATOM 982 CB LEU A 64 15.279 -19.154 -21.745 1.00 55.12 C ATOM 983 CG LEU A 64 14.177 -19.250 -22.801 1.00 40.45 C ATOM 984 CD1 LEU A 64 12.908 -18.570 -22.312 1.00 74.11 C ATOM 985 CD2 LEU A 64 14.642 -18.635 -24.114 1.00 15.34 C ATOM 0 H LEU A 64 16.308 -20.426 -23.590 1.00 4.22 H new ATOM 0 HA LEU A 64 16.924 -20.200 -20.841 1.00 42.22 H new ATOM 0 HB2 LEU A 64 14.825 -18.852 -20.801 1.00 55.12 H new ATOM 0 HB3 LEU A 64 15.966 -18.360 -22.037 1.00 55.12 H new ATOM 0 HG LEU A 64 13.956 -20.303 -22.974 1.00 40.45 H new ATOM 0 HD11 LEU A 64 12.135 -18.649 -23.077 1.00 74.11 H new ATOM 0 HD12 LEU A 64 12.565 -19.055 -21.398 1.00 74.11 H new ATOM 0 HD13 LEU A 64 13.113 -17.519 -22.110 1.00 74.11 H new ATOM 0 HD21 LEU A 64 13.845 -18.712 -24.854 1.00 15.34 H new ATOM 0 HD22 LEU A 64 14.891 -17.586 -23.956 1.00 15.34 H new ATOM 0 HD23 LEU A 64 15.523 -19.167 -24.473 1.00 15.34 H new ATOM 997 N ALA A 65 14.832 -22.499 -21.599 1.00 64.30 N ATOM 998 CA ALA A 65 13.999 -23.575 -21.078 1.00 75.42 C ATOM 999 C ALA A 65 14.851 -24.712 -20.524 1.00 43.14 C ATOM 1000 O ALA A 65 14.346 -25.798 -20.239 1.00 50.31 O ATOM 1001 CB ALA A 65 13.066 -24.093 -22.163 1.00 62.15 C ATOM 0 H ALA A 65 15.085 -22.599 -22.582 1.00 64.30 H new ATOM 0 HA ALA A 65 13.401 -23.173 -20.260 1.00 75.42 H new ATOM 0 HB1 ALA A 65 12.450 -24.896 -21.760 1.00 62.15 H new ATOM 0 HB2 ALA A 65 12.425 -23.282 -22.509 1.00 62.15 H new ATOM 0 HB3 ALA A 65 13.655 -24.472 -22.999 1.00 62.15 H new ATOM 1007 N ASP A 66 16.146 -24.455 -20.376 1.00 21.23 N ATOM 1008 CA ASP A 66 17.069 -25.457 -19.856 1.00 24.05 C ATOM 1009 C ASP A 66 17.611 -25.041 -18.492 1.00 3.43 C ATOM 1010 O ASP A 66 18.090 -25.873 -17.721 1.00 74.23 O ATOM 1011 CB ASP A 66 18.226 -25.673 -20.833 1.00 55.44 C ATOM 1012 CG ASP A 66 19.240 -26.675 -20.319 1.00 10.24 C ATOM 1013 OD1 ASP A 66 18.836 -27.611 -19.597 1.00 42.10 O ATOM 1014 OD2 ASP A 66 20.437 -26.523 -20.638 1.00 65.50 O ATOM 0 H ASP A 66 16.580 -23.562 -20.609 1.00 21.23 H new ATOM 0 HA ASP A 66 16.522 -26.393 -19.740 1.00 24.05 H new ATOM 0 HB2 ASP A 66 17.831 -26.018 -21.788 1.00 55.44 H new ATOM 0 HB3 ASP A 66 18.723 -24.721 -21.019 1.00 55.44 H new ATOM 1019 N VAL A 67 17.534 -23.746 -18.200 1.00 10.00 N ATOM 1020 CA VAL A 67 18.017 -23.218 -16.929 1.00 75.52 C ATOM 1021 C VAL A 67 16.973 -23.390 -15.831 1.00 52.33 C ATOM 1022 O VAL A 67 15.793 -23.087 -16.009 1.00 51.43 O ATOM 1023 CB VAL A 67 18.385 -21.727 -17.044 1.00 60.41 C ATOM 1024 CG1 VAL A 67 17.188 -20.916 -17.516 1.00 70.21 C ATOM 1025 CG2 VAL A 67 18.904 -21.203 -15.714 1.00 34.14 C ATOM 0 H VAL A 67 17.142 -23.043 -18.827 1.00 10.00 H new ATOM 0 HA VAL A 67 18.911 -23.785 -16.669 1.00 75.52 H new ATOM 0 HB VAL A 67 19.178 -21.622 -17.784 1.00 60.41 H new ATOM 0 HG11 VAL A 67 17.467 -19.865 -17.591 1.00 70.21 H new ATOM 0 HG12 VAL A 67 16.866 -21.277 -18.493 1.00 70.21 H new ATOM 0 HG13 VAL A 67 16.371 -21.024 -16.803 1.00 70.21 H new ATOM 0 HG21 VAL A 67 19.159 -20.148 -15.813 1.00 34.14 H new ATOM 0 HG22 VAL A 67 18.134 -21.320 -14.951 1.00 34.14 H new ATOM 0 HG23 VAL A 67 19.791 -21.765 -15.423 1.00 34.14 H new ATOM 1035 N PRO A 68 17.415 -23.887 -14.667 1.00 2.13 N ATOM 1036 CA PRO A 68 16.535 -24.109 -13.516 1.00 3.15 C ATOM 1037 C PRO A 68 16.059 -22.803 -12.889 1.00 42.43 C ATOM 1038 O PRO A 68 14.891 -22.667 -12.528 1.00 53.04 O ATOM 1039 CB PRO A 68 17.422 -24.880 -12.535 1.00 21.03 C ATOM 1040 CG PRO A 68 18.814 -24.492 -12.897 1.00 0.43 C ATOM 1041 CD PRO A 68 18.809 -24.270 -14.384 1.00 74.10 C ATOM 0 HA PRO A 68 15.624 -24.638 -13.796 1.00 3.15 H new ATOM 0 HB2 PRO A 68 17.193 -24.616 -11.503 1.00 21.03 H new ATOM 0 HB3 PRO A 68 17.274 -25.956 -12.629 1.00 21.03 H new ATOM 0 HG2 PRO A 68 19.117 -23.588 -12.369 1.00 0.43 H new ATOM 0 HG3 PRO A 68 19.521 -25.274 -12.622 1.00 0.43 H new ATOM 0 HD2 PRO A 68 19.508 -23.486 -14.676 1.00 74.10 H new ATOM 0 HD3 PRO A 68 19.096 -25.171 -14.926 1.00 74.10 H new ATOM 1049 N GLU A 69 16.972 -21.844 -12.764 1.00 61.33 N ATOM 1050 CA GLU A 69 16.644 -20.549 -12.181 1.00 14.20 C ATOM 1051 C GLU A 69 15.734 -19.749 -13.109 1.00 72.21 C ATOM 1052 O GLU A 69 15.773 -19.913 -14.329 1.00 33.23 O ATOM 1053 CB GLU A 69 17.920 -19.756 -11.893 1.00 2.02 C ATOM 1054 CG GLU A 69 17.679 -18.478 -11.108 1.00 14.42 C ATOM 1055 CD GLU A 69 17.047 -18.735 -9.754 1.00 30.35 C ATOM 1056 OE1 GLU A 69 17.583 -19.574 -8.999 1.00 44.13 O ATOM 1057 OE2 GLU A 69 16.017 -18.099 -9.448 1.00 31.10 O ATOM 0 H GLU A 69 17.944 -21.940 -13.059 1.00 61.33 H new ATOM 0 HA GLU A 69 16.115 -20.725 -11.244 1.00 14.20 H new ATOM 0 HB2 GLU A 69 18.613 -20.388 -11.338 1.00 2.02 H new ATOM 0 HB3 GLU A 69 18.403 -19.506 -12.838 1.00 2.02 H new ATOM 0 HG2 GLU A 69 18.626 -17.957 -10.969 1.00 14.42 H new ATOM 0 HG3 GLU A 69 17.033 -17.817 -11.686 1.00 14.42 H new ATOM 1064 N LYS A 70 14.914 -18.883 -12.523 1.00 23.24 N ATOM 1065 CA LYS A 70 13.994 -18.056 -13.294 1.00 62.44 C ATOM 1066 C LYS A 70 14.536 -16.639 -13.450 1.00 63.25 C ATOM 1067 O LYS A 70 15.174 -16.104 -12.543 1.00 74.22 O ATOM 1068 CB LYS A 70 12.622 -18.017 -12.619 1.00 33.34 C ATOM 1069 CG LYS A 70 12.131 -19.379 -12.159 1.00 21.33 C ATOM 1070 CD LYS A 70 10.633 -19.376 -11.906 1.00 31.05 C ATOM 1071 CE LYS A 70 10.213 -20.545 -11.028 1.00 24.23 C ATOM 1072 NZ LYS A 70 10.465 -20.274 -9.585 1.00 54.12 N ATOM 0 H LYS A 70 14.868 -18.736 -11.515 1.00 23.24 H new ATOM 0 HA LYS A 70 13.892 -18.498 -14.285 1.00 62.44 H new ATOM 0 HB2 LYS A 70 12.668 -17.348 -11.760 1.00 33.34 H new ATOM 0 HB3 LYS A 70 11.896 -17.594 -13.314 1.00 33.34 H new ATOM 0 HG2 LYS A 70 12.372 -20.127 -12.914 1.00 21.33 H new ATOM 0 HG3 LYS A 70 12.654 -19.666 -11.247 1.00 21.33 H new ATOM 0 HD2 LYS A 70 10.346 -18.439 -11.428 1.00 31.05 H new ATOM 0 HD3 LYS A 70 10.102 -19.425 -12.857 1.00 31.05 H new ATOM 0 HE2 LYS A 70 9.153 -20.750 -11.179 1.00 24.23 H new ATOM 0 HE3 LYS A 70 10.757 -21.440 -11.330 1.00 24.23 H new ATOM 0 HZ1 LYS A 70 10.165 -21.094 -9.020 1.00 54.12 H new ATOM 0 HZ2 LYS A 70 11.480 -20.103 -9.436 1.00 54.12 H new ATOM 0 HZ3 LYS A 70 9.926 -19.435 -9.290 1.00 54.12 H new ATOM 1086 N VAL A 71 14.278 -16.035 -14.606 1.00 72.52 N ATOM 1087 CA VAL A 71 14.738 -14.679 -14.880 1.00 34.22 C ATOM 1088 C VAL A 71 13.689 -13.651 -14.471 1.00 3.52 C ATOM 1089 O VAL A 71 12.488 -13.885 -14.608 1.00 4.34 O ATOM 1090 CB VAL A 71 15.072 -14.490 -16.371 1.00 71.14 C ATOM 1091 CG1 VAL A 71 13.876 -14.857 -17.237 1.00 43.34 C ATOM 1092 CG2 VAL A 71 15.517 -13.060 -16.640 1.00 72.41 C ATOM 0 H VAL A 71 13.753 -16.464 -15.368 1.00 72.52 H new ATOM 0 HA VAL A 71 15.642 -14.526 -14.291 1.00 34.22 H new ATOM 0 HB VAL A 71 15.895 -15.157 -16.629 1.00 71.14 H new ATOM 0 HG11 VAL A 71 14.131 -14.717 -18.288 1.00 43.34 H new ATOM 0 HG12 VAL A 71 13.608 -15.899 -17.064 1.00 43.34 H new ATOM 0 HG13 VAL A 71 13.031 -14.218 -16.980 1.00 43.34 H new ATOM 0 HG21 VAL A 71 15.749 -12.944 -17.699 1.00 72.41 H new ATOM 0 HG22 VAL A 71 14.717 -12.372 -16.367 1.00 72.41 H new ATOM 0 HG23 VAL A 71 16.405 -12.838 -16.048 1.00 72.41 H new ATOM 1102 N ASP A 72 14.151 -12.511 -13.969 1.00 5.31 N ATOM 1103 CA ASP A 72 13.254 -11.444 -13.541 1.00 32.11 C ATOM 1104 C ASP A 72 12.999 -10.460 -14.678 1.00 13.41 C ATOM 1105 O ASP A 72 11.889 -9.950 -14.833 1.00 44.13 O ATOM 1106 CB ASP A 72 13.840 -10.709 -12.335 1.00 12.44 C ATOM 1107 CG ASP A 72 12.938 -9.594 -11.842 1.00 34.54 C ATOM 1108 OD1 ASP A 72 12.743 -8.614 -12.590 1.00 75.43 O ATOM 1109 OD2 ASP A 72 12.427 -9.702 -10.707 1.00 22.13 O ATOM 0 H ASP A 72 15.142 -12.302 -13.848 1.00 5.31 H new ATOM 0 HA ASP A 72 12.304 -11.895 -13.255 1.00 32.11 H new ATOM 0 HB2 ASP A 72 14.009 -11.420 -11.526 1.00 12.44 H new ATOM 0 HB3 ASP A 72 14.812 -10.295 -12.603 1.00 12.44 H new ATOM 1114 N MET A 73 14.033 -10.196 -15.469 1.00 65.42 N ATOM 1115 CA MET A 73 13.921 -9.273 -16.592 1.00 52.31 C ATOM 1116 C MET A 73 14.695 -9.789 -17.801 1.00 21.14 C ATOM 1117 O MET A 73 15.922 -9.886 -17.769 1.00 40.32 O ATOM 1118 CB MET A 73 14.436 -7.888 -16.195 1.00 23.11 C ATOM 1119 CG MET A 73 14.464 -6.896 -17.347 1.00 33.53 C ATOM 1120 SD MET A 73 14.585 -5.186 -16.788 1.00 70.41 S ATOM 1121 CE MET A 73 16.066 -5.263 -15.783 1.00 14.20 C ATOM 0 H MET A 73 14.959 -10.608 -15.353 1.00 65.42 H new ATOM 0 HA MET A 73 12.868 -9.197 -16.863 1.00 52.31 H new ATOM 0 HB2 MET A 73 13.807 -7.490 -15.399 1.00 23.11 H new ATOM 0 HB3 MET A 73 15.442 -7.987 -15.787 1.00 23.11 H new ATOM 0 HG2 MET A 73 15.310 -7.123 -17.996 1.00 33.53 H new ATOM 0 HG3 MET A 73 13.561 -7.015 -17.946 1.00 33.53 H new ATOM 0 HE1 MET A 73 16.374 -4.253 -15.511 1.00 14.20 H new ATOM 0 HE2 MET A 73 15.862 -5.836 -14.878 1.00 14.20 H new ATOM 0 HE3 MET A 73 16.864 -5.747 -16.347 1.00 14.20 H new ATOM 1131 N VAL A 74 13.971 -10.120 -18.865 1.00 33.11 N ATOM 1132 CA VAL A 74 14.590 -10.626 -20.084 1.00 40.10 C ATOM 1133 C VAL A 74 15.144 -9.487 -20.933 1.00 13.34 C ATOM 1134 O VAL A 74 14.389 -8.739 -21.555 1.00 62.20 O ATOM 1135 CB VAL A 74 13.589 -11.439 -20.926 1.00 62.22 C ATOM 1136 CG1 VAL A 74 14.289 -12.080 -22.115 1.00 74.12 C ATOM 1137 CG2 VAL A 74 12.904 -12.493 -20.069 1.00 3.43 C ATOM 0 H VAL A 74 12.955 -10.047 -18.907 1.00 33.11 H new ATOM 0 HA VAL A 74 15.408 -11.277 -19.777 1.00 40.10 H new ATOM 0 HB VAL A 74 12.825 -10.760 -21.306 1.00 62.22 H new ATOM 0 HG11 VAL A 74 13.566 -12.650 -22.699 1.00 74.12 H new ATOM 0 HG12 VAL A 74 14.728 -11.303 -22.741 1.00 74.12 H new ATOM 0 HG13 VAL A 74 15.075 -12.746 -21.759 1.00 74.12 H new ATOM 0 HG21 VAL A 74 12.200 -13.058 -20.680 1.00 3.43 H new ATOM 0 HG22 VAL A 74 13.653 -13.170 -19.658 1.00 3.43 H new ATOM 0 HG23 VAL A 74 12.368 -12.007 -19.254 1.00 3.43 H new ATOM 1147 N ASP A 75 16.466 -9.361 -20.953 1.00 50.42 N ATOM 1148 CA ASP A 75 17.122 -8.313 -21.727 1.00 61.10 C ATOM 1149 C ASP A 75 17.203 -8.696 -23.201 1.00 73.34 C ATOM 1150 O ASP A 75 18.076 -9.463 -23.608 1.00 31.35 O ATOM 1151 CB ASP A 75 18.525 -8.047 -21.179 1.00 21.41 C ATOM 1152 CG ASP A 75 18.556 -6.885 -20.206 1.00 40.02 C ATOM 1153 OD1 ASP A 75 17.535 -6.653 -19.526 1.00 15.31 O ATOM 1154 OD2 ASP A 75 19.602 -6.208 -20.124 1.00 51.05 O ATOM 0 H ASP A 75 17.105 -9.971 -20.443 1.00 50.42 H new ATOM 0 HA ASP A 75 16.527 -7.404 -21.638 1.00 61.10 H new ATOM 0 HB2 ASP A 75 18.893 -8.944 -20.681 1.00 21.41 H new ATOM 0 HB3 ASP A 75 19.203 -7.841 -22.008 1.00 21.41 H new ATOM 1159 N VAL A 76 16.285 -8.158 -23.999 1.00 4.24 N ATOM 1160 CA VAL A 76 16.252 -8.443 -25.428 1.00 64.11 C ATOM 1161 C VAL A 76 16.979 -7.363 -26.221 1.00 4.20 C ATOM 1162 O VAL A 76 16.486 -6.244 -26.363 1.00 51.22 O ATOM 1163 CB VAL A 76 14.806 -8.558 -25.944 1.00 53.53 C ATOM 1164 CG1 VAL A 76 14.790 -9.031 -27.390 1.00 3.12 C ATOM 1165 CG2 VAL A 76 13.997 -9.494 -25.059 1.00 62.13 C ATOM 0 H VAL A 76 15.554 -7.522 -23.679 1.00 4.24 H new ATOM 0 HA VAL A 76 16.758 -9.398 -25.572 1.00 64.11 H new ATOM 0 HB VAL A 76 14.346 -7.571 -25.905 1.00 53.53 H new ATOM 0 HG11 VAL A 76 13.759 -9.106 -27.737 1.00 3.12 H new ATOM 0 HG12 VAL A 76 15.331 -8.318 -28.012 1.00 3.12 H new ATOM 0 HG13 VAL A 76 15.268 -10.008 -27.458 1.00 3.12 H new ATOM 0 HG21 VAL A 76 12.978 -9.563 -25.439 1.00 62.13 H new ATOM 0 HG22 VAL A 76 14.454 -10.484 -25.063 1.00 62.13 H new ATOM 0 HG23 VAL A 76 13.979 -9.107 -24.040 1.00 62.13 H new ATOM 1175 N PHE A 77 18.155 -7.705 -26.736 1.00 64.34 N ATOM 1176 CA PHE A 77 18.952 -6.764 -27.515 1.00 72.45 C ATOM 1177 C PHE A 77 19.184 -7.289 -28.930 1.00 11.25 C ATOM 1178 O PHE A 77 19.688 -6.571 -29.794 1.00 75.51 O ATOM 1179 CB PHE A 77 20.294 -6.508 -26.828 1.00 24.23 C ATOM 1180 CG PHE A 77 20.180 -5.682 -25.578 1.00 71.43 C ATOM 1181 CD1 PHE A 77 19.518 -6.174 -24.465 1.00 75.22 C ATOM 1182 CD2 PHE A 77 20.734 -4.414 -25.517 1.00 42.13 C ATOM 1183 CE1 PHE A 77 19.411 -5.417 -23.314 1.00 14.03 C ATOM 1184 CE2 PHE A 77 20.631 -3.652 -24.369 1.00 31.44 C ATOM 1185 CZ PHE A 77 19.967 -4.154 -23.266 1.00 3.01 C ATOM 0 H PHE A 77 18.578 -8.627 -26.628 1.00 64.34 H new ATOM 0 HA PHE A 77 18.400 -5.826 -27.580 1.00 72.45 H new ATOM 0 HB2 PHE A 77 20.755 -7.464 -26.581 1.00 24.23 H new ATOM 0 HB3 PHE A 77 20.961 -6.004 -27.527 1.00 24.23 H new ATOM 0 HD1 PHE A 77 19.080 -7.161 -24.497 1.00 75.22 H new ATOM 0 HD2 PHE A 77 21.253 -4.016 -26.377 1.00 42.13 H new ATOM 0 HE1 PHE A 77 18.893 -5.813 -22.453 1.00 14.03 H new ATOM 0 HE2 PHE A 77 21.069 -2.665 -24.334 1.00 31.44 H new ATOM 0 HZ PHE A 77 19.883 -3.560 -22.368 1.00 3.01 H new ATOM 1195 N ARG A 78 18.814 -8.545 -29.157 1.00 14.24 N ATOM 1196 CA ARG A 78 18.983 -9.167 -30.464 1.00 54.44 C ATOM 1197 C ARG A 78 18.383 -8.294 -31.563 1.00 42.30 C ATOM 1198 O ARG A 78 19.106 -7.705 -32.366 1.00 24.53 O ATOM 1199 CB ARG A 78 18.329 -10.550 -30.483 1.00 40.45 C ATOM 1200 CG ARG A 78 19.028 -11.566 -29.595 1.00 42.05 C ATOM 1201 CD ARG A 78 18.563 -12.982 -29.897 1.00 30.14 C ATOM 1202 NE ARG A 78 19.046 -13.453 -31.192 1.00 54.00 N ATOM 1203 CZ ARG A 78 18.541 -14.506 -31.826 1.00 4.04 C ATOM 1204 NH1 ARG A 78 17.544 -15.194 -31.286 1.00 44.42 N ATOM 1205 NH2 ARG A 78 19.034 -14.873 -33.002 1.00 2.32 N ATOM 0 H ARG A 78 18.395 -9.152 -28.452 1.00 14.24 H new ATOM 0 HA ARG A 78 20.051 -9.275 -30.652 1.00 54.44 H new ATOM 0 HB2 ARG A 78 17.291 -10.456 -30.165 1.00 40.45 H new ATOM 0 HB3 ARG A 78 18.317 -10.923 -31.507 1.00 40.45 H new ATOM 0 HG2 ARG A 78 20.106 -11.497 -29.740 1.00 42.05 H new ATOM 0 HG3 ARG A 78 18.832 -11.333 -28.549 1.00 42.05 H new ATOM 0 HD2 ARG A 78 18.914 -13.653 -29.113 1.00 30.14 H new ATOM 0 HD3 ARG A 78 17.474 -13.017 -29.882 1.00 30.14 H new ATOM 0 HE ARG A 78 19.813 -12.946 -31.634 1.00 54.00 H new ATOM 0 HH11 ARG A 78 17.163 -14.915 -30.382 1.00 44.42 H new ATOM 0 HH12 ARG A 78 17.158 -16.002 -31.775 1.00 44.42 H new ATOM 0 HH21 ARG A 78 19.801 -14.347 -33.420 1.00 2.32 H new ATOM 0 HH22 ARG A 78 18.646 -15.681 -33.488 1.00 2.32 H new ATOM 1219 N ASN A 79 17.057 -8.216 -31.592 1.00 13.41 N ATOM 1220 CA ASN A 79 16.360 -7.416 -32.593 1.00 12.44 C ATOM 1221 C ASN A 79 14.858 -7.396 -32.324 1.00 61.21 C ATOM 1222 O ASN A 79 14.377 -8.026 -31.382 1.00 4.21 O ATOM 1223 CB ASN A 79 16.632 -7.965 -33.994 1.00 55.05 C ATOM 1224 CG ASN A 79 16.690 -6.871 -35.043 1.00 2.21 C ATOM 1225 OD1 ASN A 79 17.081 -5.740 -34.754 1.00 42.34 O ATOM 1226 ND2 ASN A 79 16.300 -7.204 -36.268 1.00 4.11 N ATOM 0 H ASN A 79 16.443 -8.697 -30.934 1.00 13.41 H new ATOM 0 HA ASN A 79 16.735 -6.394 -32.532 1.00 12.44 H new ATOM 0 HB2 ASN A 79 17.575 -8.511 -33.990 1.00 55.05 H new ATOM 0 HB3 ASN A 79 15.852 -8.678 -34.260 1.00 55.05 H new ATOM 0 HD21 ASN A 79 16.317 -6.510 -37.015 1.00 4.11 H new ATOM 0 HD22 ASN A 79 15.983 -8.154 -36.462 1.00 4.11 H new ATOM 1233 N SER A 80 14.122 -6.669 -33.159 1.00 65.53 N ATOM 1234 CA SER A 80 12.676 -6.565 -33.011 1.00 34.14 C ATOM 1235 C SER A 80 12.001 -7.900 -33.312 1.00 11.12 C ATOM 1236 O SER A 80 11.224 -8.410 -32.505 1.00 62.23 O ATOM 1237 CB SER A 80 12.123 -5.481 -33.938 1.00 3.21 C ATOM 1238 OG SER A 80 12.328 -5.821 -35.298 1.00 52.44 O ATOM 0 H SER A 80 14.504 -6.143 -33.945 1.00 65.53 H new ATOM 0 HA SER A 80 12.461 -6.294 -31.978 1.00 34.14 H new ATOM 0 HB2 SER A 80 11.058 -5.346 -33.750 1.00 3.21 H new ATOM 0 HB3 SER A 80 12.608 -4.530 -33.720 1.00 3.21 H new ATOM 0 HG SER A 80 11.964 -5.114 -35.870 1.00 52.44 H new ATOM 1244 N GLU A 81 12.304 -8.459 -34.479 1.00 62.11 N ATOM 1245 CA GLU A 81 11.726 -9.734 -34.888 1.00 24.14 C ATOM 1246 C GLU A 81 11.965 -10.804 -33.826 1.00 60.45 C ATOM 1247 O GLU A 81 11.111 -11.658 -33.588 1.00 3.03 O ATOM 1248 CB GLU A 81 12.321 -10.184 -36.224 1.00 13.20 C ATOM 1249 CG GLU A 81 12.004 -9.246 -37.377 1.00 64.21 C ATOM 1250 CD GLU A 81 12.118 -9.925 -38.728 1.00 54.45 C ATOM 1251 OE1 GLU A 81 13.042 -10.746 -38.904 1.00 30.14 O ATOM 1252 OE2 GLU A 81 11.283 -9.634 -39.611 1.00 31.35 O ATOM 0 H GLU A 81 12.946 -8.050 -35.158 1.00 62.11 H new ATOM 0 HA GLU A 81 10.651 -9.596 -35.006 1.00 24.14 H new ATOM 0 HB2 GLU A 81 13.403 -10.267 -36.121 1.00 13.20 H new ATOM 0 HB3 GLU A 81 11.946 -11.179 -36.462 1.00 13.20 H new ATOM 0 HG2 GLU A 81 10.994 -8.855 -37.255 1.00 64.21 H new ATOM 0 HG3 GLU A 81 12.682 -8.394 -37.344 1.00 64.21 H new ATOM 1259 N ALA A 82 13.132 -10.752 -33.193 1.00 44.24 N ATOM 1260 CA ALA A 82 13.484 -11.715 -32.157 1.00 54.12 C ATOM 1261 C ALA A 82 12.681 -11.469 -30.884 1.00 42.51 C ATOM 1262 O ALA A 82 12.416 -12.394 -30.118 1.00 13.03 O ATOM 1263 CB ALA A 82 14.975 -11.654 -31.863 1.00 42.44 C ATOM 0 H ALA A 82 13.850 -10.052 -33.380 1.00 44.24 H new ATOM 0 HA ALA A 82 13.239 -12.712 -32.524 1.00 54.12 H new ATOM 0 HB1 ALA A 82 15.223 -12.379 -31.087 1.00 42.44 H new ATOM 0 HB2 ALA A 82 15.534 -11.887 -32.769 1.00 42.44 H new ATOM 0 HB3 ALA A 82 15.238 -10.653 -31.521 1.00 42.44 H new ATOM 1269 N ALA A 83 12.298 -10.215 -30.665 1.00 5.13 N ATOM 1270 CA ALA A 83 11.525 -9.848 -29.485 1.00 3.41 C ATOM 1271 C ALA A 83 10.298 -10.740 -29.333 1.00 51.33 C ATOM 1272 O ALA A 83 9.972 -11.181 -28.231 1.00 64.44 O ATOM 1273 CB ALA A 83 11.112 -8.385 -29.559 1.00 75.32 C ATOM 0 H ALA A 83 12.510 -9.437 -31.289 1.00 5.13 H new ATOM 0 HA ALA A 83 12.156 -9.992 -28.608 1.00 3.41 H new ATOM 0 HB1 ALA A 83 10.535 -8.124 -28.671 1.00 75.32 H new ATOM 0 HB2 ALA A 83 12.002 -7.758 -29.611 1.00 75.32 H new ATOM 0 HB3 ALA A 83 10.502 -8.224 -30.448 1.00 75.32 H new ATOM 1279 N TRP A 84 9.621 -11.000 -30.446 1.00 13.33 N ATOM 1280 CA TRP A 84 8.428 -11.839 -30.436 1.00 31.04 C ATOM 1281 C TRP A 84 8.765 -13.259 -29.994 1.00 41.12 C ATOM 1282 O TRP A 84 8.167 -13.786 -29.057 1.00 64.21 O ATOM 1283 CB TRP A 84 7.784 -11.862 -31.823 1.00 32.33 C ATOM 1284 CG TRP A 84 6.671 -12.858 -31.944 1.00 74.41 C ATOM 1285 CD1 TRP A 84 6.746 -14.109 -32.488 1.00 35.13 C ATOM 1286 CD2 TRP A 84 5.316 -12.686 -31.514 1.00 72.13 C ATOM 1287 NE1 TRP A 84 5.519 -14.725 -32.422 1.00 12.43 N ATOM 1288 CE2 TRP A 84 4.625 -13.873 -31.828 1.00 60.01 C ATOM 1289 CE3 TRP A 84 4.619 -11.646 -30.893 1.00 45.12 C ATOM 1290 CZ2 TRP A 84 3.273 -14.045 -31.542 1.00 43.03 C ATOM 1291 CZ3 TRP A 84 3.278 -11.818 -30.610 1.00 52.05 C ATOM 1292 CH2 TRP A 84 2.616 -13.010 -30.934 1.00 63.10 C ATOM 0 H TRP A 84 9.878 -10.642 -31.366 1.00 13.33 H new ATOM 0 HA TRP A 84 7.721 -11.415 -29.723 1.00 31.04 H new ATOM 0 HB2 TRP A 84 7.400 -10.868 -32.054 1.00 32.33 H new ATOM 0 HB3 TRP A 84 8.548 -12.089 -32.567 1.00 32.33 H new ATOM 0 HD1 TRP A 84 7.638 -14.549 -32.908 1.00 35.13 H new ATOM 0 HE1 TRP A 84 5.308 -15.664 -32.760 1.00 12.43 H new ATOM 0 HE3 TRP A 84 5.120 -10.724 -30.639 1.00 45.12 H new ATOM 0 HZ2 TRP A 84 2.761 -14.963 -31.791 1.00 43.03 H new ATOM 0 HZ3 TRP A 84 2.730 -11.020 -30.131 1.00 52.05 H new ATOM 0 HH2 TRP A 84 1.567 -13.114 -30.699 1.00 63.10 H new ATOM 1303 N GLY A 85 9.727 -13.874 -30.676 1.00 2.51 N ATOM 1304 CA GLY A 85 10.127 -15.227 -30.338 1.00 72.25 C ATOM 1305 C GLY A 85 10.496 -15.375 -28.876 1.00 22.12 C ATOM 1306 O GLY A 85 10.176 -16.383 -28.246 1.00 65.41 O ATOM 0 H GLY A 85 10.236 -13.459 -31.456 1.00 2.51 H new ATOM 0 HA2 GLY A 85 9.314 -15.913 -30.575 1.00 72.25 H new ATOM 0 HA3 GLY A 85 10.978 -15.516 -30.955 1.00 72.25 H new ATOM 1310 N VAL A 86 11.173 -14.368 -28.333 1.00 64.13 N ATOM 1311 CA VAL A 86 11.588 -14.391 -26.936 1.00 14.55 C ATOM 1312 C VAL A 86 10.410 -14.108 -26.009 1.00 5.21 C ATOM 1313 O VAL A 86 10.330 -14.651 -24.907 1.00 41.35 O ATOM 1314 CB VAL A 86 12.700 -13.361 -26.663 1.00 40.32 C ATOM 1315 CG1 VAL A 86 13.125 -13.407 -25.204 1.00 24.25 C ATOM 1316 CG2 VAL A 86 13.888 -13.605 -27.581 1.00 61.03 C ATOM 0 H VAL A 86 11.446 -13.526 -28.840 1.00 64.13 H new ATOM 0 HA VAL A 86 11.973 -15.391 -26.737 1.00 14.55 H new ATOM 0 HB VAL A 86 12.308 -12.365 -26.870 1.00 40.32 H new ATOM 0 HG11 VAL A 86 13.911 -12.672 -25.031 1.00 24.25 H new ATOM 0 HG12 VAL A 86 12.269 -13.179 -24.568 1.00 24.25 H new ATOM 0 HG13 VAL A 86 13.500 -14.402 -24.965 1.00 24.25 H new ATOM 0 HG21 VAL A 86 14.665 -12.868 -27.375 1.00 61.03 H new ATOM 0 HG22 VAL A 86 14.282 -14.606 -27.407 1.00 61.03 H new ATOM 0 HG23 VAL A 86 13.570 -13.515 -28.620 1.00 61.03 H new ATOM 1326 N ALA A 87 9.498 -13.255 -26.463 1.00 45.44 N ATOM 1327 CA ALA A 87 8.324 -12.901 -25.676 1.00 74.33 C ATOM 1328 C ALA A 87 7.485 -14.135 -25.358 1.00 2.45 C ATOM 1329 O ALA A 87 7.184 -14.407 -24.196 1.00 21.51 O ATOM 1330 CB ALA A 87 7.486 -11.867 -26.414 1.00 33.43 C ATOM 0 H ALA A 87 9.550 -12.796 -27.372 1.00 45.44 H new ATOM 0 HA ALA A 87 8.664 -12.471 -24.734 1.00 74.33 H new ATOM 0 HB1 ALA A 87 6.612 -11.612 -25.815 1.00 33.43 H new ATOM 0 HB2 ALA A 87 8.082 -10.971 -26.586 1.00 33.43 H new ATOM 0 HB3 ALA A 87 7.162 -12.277 -27.371 1.00 33.43 H new ATOM 1336 N GLN A 88 7.111 -14.875 -26.396 1.00 45.01 N ATOM 1337 CA GLN A 88 6.306 -16.079 -26.225 1.00 43.53 C ATOM 1338 C GLN A 88 7.022 -17.091 -25.337 1.00 42.04 C ATOM 1339 O GLN A 88 6.407 -17.719 -24.477 1.00 21.34 O ATOM 1340 CB GLN A 88 5.994 -16.706 -27.585 1.00 51.10 C ATOM 1341 CG GLN A 88 7.228 -16.964 -28.434 1.00 42.41 C ATOM 1342 CD GLN A 88 6.889 -17.524 -29.801 1.00 64.13 C ATOM 1343 OE1 GLN A 88 5.943 -16.890 -30.483 1.00 31.30 O flip ATOM 1344 NE2 GLN A 88 7.472 -18.516 -30.240 1.00 73.13 N flip ATOM 0 H GLN A 88 7.352 -14.663 -27.364 1.00 45.01 H new ATOM 0 HA GLN A 88 5.372 -15.796 -25.740 1.00 43.53 H new ATOM 0 HB2 GLN A 88 5.467 -17.647 -27.429 1.00 51.10 H new ATOM 0 HB3 GLN A 88 5.318 -16.049 -28.132 1.00 51.10 H new ATOM 0 HG2 GLN A 88 7.783 -16.033 -28.554 1.00 42.41 H new ATOM 0 HG3 GLN A 88 7.884 -17.661 -27.912 1.00 42.41 H new ATOM 0 HE21 GLN A 88 8.193 -18.972 -29.682 1.00 73.13 H new ATOM 0 HE22 GLN A 88 7.234 -18.881 -31.162 1.00 73.13 H new ATOM 1353 N GLU A 89 8.325 -17.244 -25.554 1.00 0.54 N ATOM 1354 CA GLU A 89 9.124 -18.181 -24.773 1.00 34.11 C ATOM 1355 C GLU A 89 9.056 -17.847 -23.286 1.00 12.44 C ATOM 1356 O GLU A 89 8.867 -18.728 -22.448 1.00 72.43 O ATOM 1357 CB GLU A 89 10.579 -18.163 -25.245 1.00 52.43 C ATOM 1358 CG GLU A 89 10.831 -19.022 -26.473 1.00 4.23 C ATOM 1359 CD GLU A 89 12.048 -19.914 -26.320 1.00 34.42 C ATOM 1360 OE1 GLU A 89 11.993 -20.858 -25.504 1.00 10.02 O ATOM 1361 OE2 GLU A 89 13.054 -19.669 -27.017 1.00 43.10 O ATOM 0 H GLU A 89 8.849 -16.732 -26.263 1.00 0.54 H new ATOM 0 HA GLU A 89 8.714 -19.180 -24.922 1.00 34.11 H new ATOM 0 HB2 GLU A 89 10.868 -17.135 -25.465 1.00 52.43 H new ATOM 0 HB3 GLU A 89 11.220 -18.507 -24.433 1.00 52.43 H new ATOM 0 HG2 GLU A 89 9.954 -19.640 -26.666 1.00 4.23 H new ATOM 0 HG3 GLU A 89 10.964 -18.377 -27.342 1.00 4.23 H new ATOM 1368 N ALA A 90 9.212 -16.566 -22.965 1.00 62.34 N ATOM 1369 CA ALA A 90 9.167 -16.114 -21.580 1.00 65.24 C ATOM 1370 C ALA A 90 7.824 -16.444 -20.938 1.00 63.23 C ATOM 1371 O ALA A 90 7.762 -16.833 -19.771 1.00 45.25 O ATOM 1372 CB ALA A 90 9.438 -14.619 -21.504 1.00 52.13 C ATOM 0 H ALA A 90 9.371 -15.823 -23.646 1.00 62.34 H new ATOM 0 HA ALA A 90 9.944 -16.641 -21.026 1.00 65.24 H new ATOM 0 HB1 ALA A 90 9.401 -14.295 -20.464 1.00 52.13 H new ATOM 0 HB2 ALA A 90 10.425 -14.407 -21.916 1.00 52.13 H new ATOM 0 HB3 ALA A 90 8.682 -14.083 -22.078 1.00 52.13 H new ATOM 1378 N ILE A 91 6.752 -16.286 -21.707 1.00 32.44 N ATOM 1379 CA ILE A 91 5.410 -16.568 -21.212 1.00 21.32 C ATOM 1380 C ILE A 91 5.214 -18.062 -20.976 1.00 55.01 C ATOM 1381 O ILE A 91 4.425 -18.468 -20.123 1.00 3.43 O ATOM 1382 CB ILE A 91 4.332 -16.068 -22.192 1.00 21.43 C ATOM 1383 CG1 ILE A 91 4.466 -14.559 -22.405 1.00 20.21 C ATOM 1384 CG2 ILE A 91 2.944 -16.415 -21.674 1.00 1.31 C ATOM 1385 CD1 ILE A 91 3.811 -14.068 -23.677 1.00 65.32 C ATOM 0 H ILE A 91 6.786 -15.965 -22.674 1.00 32.44 H new ATOM 0 HA ILE A 91 5.304 -16.036 -20.266 1.00 21.32 H new ATOM 0 HB ILE A 91 4.475 -16.565 -23.152 1.00 21.43 H new ATOM 0 HG12 ILE A 91 4.024 -14.040 -21.555 1.00 20.21 H new ATOM 0 HG13 ILE A 91 5.523 -14.296 -22.425 1.00 20.21 H new ATOM 0 HG21 ILE A 91 2.193 -16.055 -22.377 1.00 1.31 H new ATOM 0 HG22 ILE A 91 2.855 -17.496 -21.569 1.00 1.31 H new ATOM 0 HG23 ILE A 91 2.789 -15.942 -20.704 1.00 1.31 H new ATOM 0 HD11 ILE A 91 3.945 -12.990 -23.763 1.00 65.32 H new ATOM 0 HD12 ILE A 91 4.269 -14.560 -24.535 1.00 65.32 H new ATOM 0 HD13 ILE A 91 2.746 -14.300 -23.651 1.00 65.32 H new ATOM 1397 N ALA A 92 5.937 -18.876 -21.738 1.00 4.23 N ATOM 1398 CA ALA A 92 5.846 -20.325 -21.609 1.00 53.13 C ATOM 1399 C ALA A 92 6.562 -20.811 -20.354 1.00 64.22 C ATOM 1400 O ALA A 92 6.089 -21.720 -19.671 1.00 2.43 O ATOM 1401 CB ALA A 92 6.422 -21.002 -22.844 1.00 41.31 C ATOM 0 H ALA A 92 6.592 -18.556 -22.451 1.00 4.23 H new ATOM 0 HA ALA A 92 4.793 -20.591 -21.520 1.00 53.13 H new ATOM 0 HB1 ALA A 92 6.348 -22.084 -22.734 1.00 41.31 H new ATOM 0 HB2 ALA A 92 5.863 -20.688 -23.725 1.00 41.31 H new ATOM 0 HB3 ALA A 92 7.469 -20.720 -22.959 1.00 41.31 H new ATOM 1407 N ILE A 93 7.705 -20.202 -20.057 1.00 42.34 N ATOM 1408 CA ILE A 93 8.486 -20.573 -18.884 1.00 61.20 C ATOM 1409 C ILE A 93 7.957 -19.884 -17.631 1.00 1.21 C ATOM 1410 O ILE A 93 8.096 -20.397 -16.522 1.00 31.54 O ATOM 1411 CB ILE A 93 9.974 -20.218 -19.062 1.00 50.25 C ATOM 1412 CG1 ILE A 93 10.147 -18.703 -19.189 1.00 5.14 C ATOM 1413 CG2 ILE A 93 10.545 -20.925 -20.282 1.00 72.25 C ATOM 1414 CD1 ILE A 93 11.593 -18.264 -19.256 1.00 4.32 C ATOM 0 H ILE A 93 8.111 -19.449 -20.613 1.00 42.34 H new ATOM 0 HA ILE A 93 8.390 -21.653 -18.770 1.00 61.20 H new ATOM 0 HB ILE A 93 10.521 -20.555 -18.182 1.00 50.25 H new ATOM 0 HG12 ILE A 93 9.630 -18.360 -20.085 1.00 5.14 H new ATOM 0 HG13 ILE A 93 9.667 -18.218 -18.339 1.00 5.14 H new ATOM 0 HG21 ILE A 93 11.597 -20.664 -20.394 1.00 72.25 H new ATOM 0 HG22 ILE A 93 10.450 -22.003 -20.155 1.00 72.25 H new ATOM 0 HG23 ILE A 93 9.997 -20.615 -21.172 1.00 72.25 H new ATOM 0 HD11 ILE A 93 11.640 -17.179 -19.345 1.00 4.32 H new ATOM 0 HD12 ILE A 93 12.110 -18.576 -18.349 1.00 4.32 H new ATOM 0 HD13 ILE A 93 12.072 -18.720 -20.122 1.00 4.32 H new ATOM 1426 N GLY A 94 7.348 -18.717 -17.816 1.00 51.44 N ATOM 1427 CA GLY A 94 6.805 -17.976 -16.692 1.00 63.14 C ATOM 1428 C GLY A 94 7.742 -16.887 -16.209 1.00 51.43 C ATOM 1429 O GLY A 94 8.156 -16.884 -15.051 1.00 1.44 O ATOM 0 H GLY A 94 7.221 -18.271 -18.724 1.00 51.44 H new ATOM 0 HA2 GLY A 94 5.853 -17.530 -16.980 1.00 63.14 H new ATOM 0 HA3 GLY A 94 6.599 -18.664 -15.872 1.00 63.14 H new ATOM 1433 N ALA A 95 8.078 -15.960 -17.100 1.00 41.53 N ATOM 1434 CA ALA A 95 8.972 -14.860 -16.758 1.00 55.23 C ATOM 1435 C ALA A 95 8.295 -13.877 -15.809 1.00 35.43 C ATOM 1436 O ALA A 95 7.217 -14.151 -15.280 1.00 55.14 O ATOM 1437 CB ALA A 95 9.434 -14.144 -18.019 1.00 25.41 C ATOM 0 H ALA A 95 7.745 -15.949 -18.064 1.00 41.53 H new ATOM 0 HA ALA A 95 9.842 -15.276 -16.249 1.00 55.23 H new ATOM 0 HB1 ALA A 95 10.101 -13.325 -17.749 1.00 25.41 H new ATOM 0 HB2 ALA A 95 9.964 -14.846 -18.663 1.00 25.41 H new ATOM 0 HB3 ALA A 95 8.569 -13.747 -18.550 1.00 25.41 H new ATOM 1443 N LYS A 96 8.934 -12.732 -15.595 1.00 32.42 N ATOM 1444 CA LYS A 96 8.394 -11.708 -14.709 1.00 12.11 C ATOM 1445 C LYS A 96 8.393 -10.344 -15.392 1.00 13.14 C ATOM 1446 O LYS A 96 7.445 -9.569 -15.253 1.00 64.15 O ATOM 1447 CB LYS A 96 9.209 -11.642 -13.415 1.00 52.13 C ATOM 1448 CG LYS A 96 8.976 -12.823 -12.489 1.00 42.00 C ATOM 1449 CD LYS A 96 9.486 -12.540 -11.086 1.00 24.11 C ATOM 1450 CE LYS A 96 10.893 -13.083 -10.884 1.00 51.24 C ATOM 1451 NZ LYS A 96 11.118 -13.533 -9.483 1.00 2.11 N ATOM 0 H LYS A 96 9.827 -12.490 -16.024 1.00 32.42 H new ATOM 0 HA LYS A 96 7.365 -11.976 -14.469 1.00 12.11 H new ATOM 0 HB2 LYS A 96 10.269 -11.591 -13.665 1.00 52.13 H new ATOM 0 HB3 LYS A 96 8.961 -10.722 -12.886 1.00 52.13 H new ATOM 0 HG2 LYS A 96 7.911 -13.052 -12.451 1.00 42.00 H new ATOM 0 HG3 LYS A 96 9.477 -13.704 -12.889 1.00 42.00 H new ATOM 0 HD2 LYS A 96 9.480 -11.465 -10.906 1.00 24.11 H new ATOM 0 HD3 LYS A 96 8.813 -12.989 -10.356 1.00 24.11 H new ATOM 0 HE2 LYS A 96 11.061 -13.917 -11.565 1.00 51.24 H new ATOM 0 HE3 LYS A 96 11.620 -12.312 -11.139 1.00 51.24 H new ATOM 0 HZ1 LYS A 96 12.137 -13.655 -9.317 1.00 2.11 H new ATOM 0 HZ2 LYS A 96 10.743 -12.820 -8.825 1.00 2.11 H new ATOM 0 HZ3 LYS A 96 10.631 -14.439 -9.327 1.00 2.11 H new ATOM 1465 N THR A 97 9.460 -10.056 -16.131 1.00 13.15 N ATOM 1466 CA THR A 97 9.581 -8.786 -16.835 1.00 4.10 C ATOM 1467 C THR A 97 10.237 -8.974 -18.198 1.00 41.12 C ATOM 1468 O THR A 97 10.935 -9.962 -18.432 1.00 53.12 O ATOM 1469 CB THR A 97 10.401 -7.768 -16.020 1.00 11.41 C ATOM 1470 OG1 THR A 97 10.078 -7.879 -14.629 1.00 74.34 O ATOM 1471 CG2 THR A 97 10.129 -6.349 -16.497 1.00 2.24 C ATOM 0 H THR A 97 10.253 -10.685 -16.257 1.00 13.15 H new ATOM 0 HA THR A 97 8.570 -8.402 -16.971 1.00 4.10 H new ATOM 0 HB THR A 97 11.459 -7.987 -16.165 1.00 11.41 H new ATOM 0 HG1 THR A 97 10.595 -8.610 -14.230 1.00 74.34 H new ATOM 0 HG21 THR A 97 10.719 -5.647 -15.907 1.00 2.24 H new ATOM 0 HG22 THR A 97 10.403 -6.260 -17.548 1.00 2.24 H new ATOM 0 HG23 THR A 97 9.070 -6.122 -16.378 1.00 2.24 H new ATOM 1479 N LEU A 98 10.010 -8.021 -19.095 1.00 41.31 N ATOM 1480 CA LEU A 98 10.580 -8.081 -20.437 1.00 1.03 C ATOM 1481 C LEU A 98 11.049 -6.703 -20.892 1.00 12.44 C ATOM 1482 O LEU A 98 10.264 -5.756 -20.946 1.00 74.12 O ATOM 1483 CB LEU A 98 9.552 -8.634 -21.425 1.00 33.33 C ATOM 1484 CG LEU A 98 10.103 -9.116 -22.767 1.00 75.13 C ATOM 1485 CD1 LEU A 98 10.372 -10.612 -22.728 1.00 35.40 C ATOM 1486 CD2 LEU A 98 9.137 -8.775 -23.893 1.00 70.41 C ATOM 0 H LEU A 98 9.435 -7.197 -18.918 1.00 41.31 H new ATOM 0 HA LEU A 98 11.443 -8.747 -20.409 1.00 1.03 H new ATOM 0 HB2 LEU A 98 9.031 -9.465 -20.949 1.00 33.33 H new ATOM 0 HB3 LEU A 98 8.809 -7.860 -21.617 1.00 33.33 H new ATOM 0 HG LEU A 98 11.046 -8.603 -22.956 1.00 75.13 H new ATOM 0 HD11 LEU A 98 10.764 -10.937 -23.692 1.00 35.40 H new ATOM 0 HD12 LEU A 98 11.101 -10.830 -21.948 1.00 35.40 H new ATOM 0 HD13 LEU A 98 9.444 -11.143 -22.516 1.00 35.40 H new ATOM 0 HD21 LEU A 98 9.545 -9.125 -24.841 1.00 70.41 H new ATOM 0 HD22 LEU A 98 8.178 -9.260 -23.709 1.00 70.41 H new ATOM 0 HD23 LEU A 98 8.995 -7.695 -23.936 1.00 70.41 H new ATOM 1498 N TRP A 99 12.332 -6.598 -21.219 1.00 34.13 N ATOM 1499 CA TRP A 99 12.904 -5.335 -21.671 1.00 63.44 C ATOM 1500 C TRP A 99 13.488 -5.474 -23.073 1.00 51.12 C ATOM 1501 O TRP A 99 14.301 -6.362 -23.333 1.00 3.31 O ATOM 1502 CB TRP A 99 13.987 -4.865 -20.699 1.00 23.20 C ATOM 1503 CG TRP A 99 13.948 -3.391 -20.434 1.00 13.44 C ATOM 1504 CD1 TRP A 99 14.691 -2.426 -21.052 1.00 60.32 C ATOM 1505 CD2 TRP A 99 13.123 -2.714 -19.479 1.00 2.42 C ATOM 1506 NE1 TRP A 99 14.378 -1.190 -20.539 1.00 64.53 N ATOM 1507 CE2 TRP A 99 13.419 -1.340 -19.573 1.00 53.53 C ATOM 1508 CE3 TRP A 99 12.163 -3.134 -18.555 1.00 12.13 C ATOM 1509 CZ2 TRP A 99 12.788 -0.386 -18.778 1.00 24.53 C ATOM 1510 CZ3 TRP A 99 11.538 -2.187 -17.766 1.00 5.24 C ATOM 1511 CH2 TRP A 99 11.852 -0.826 -17.881 1.00 64.15 C ATOM 0 H TRP A 99 12.996 -7.372 -21.180 1.00 34.13 H new ATOM 0 HA TRP A 99 12.106 -4.593 -21.701 1.00 63.44 H new ATOM 0 HB2 TRP A 99 13.875 -5.400 -19.756 1.00 23.20 H new ATOM 0 HB3 TRP A 99 14.965 -5.129 -21.101 1.00 23.20 H new ATOM 0 HD1 TRP A 99 15.418 -2.608 -21.830 1.00 60.32 H new ATOM 0 HE1 TRP A 99 14.793 -0.305 -20.830 1.00 64.53 H new ATOM 0 HE3 TRP A 99 11.914 -4.180 -18.459 1.00 12.13 H new ATOM 0 HZ2 TRP A 99 13.029 0.663 -18.866 1.00 24.53 H new ATOM 0 HZ3 TRP A 99 10.795 -2.501 -17.048 1.00 5.24 H new ATOM 0 HH2 TRP A 99 11.346 -0.111 -17.250 1.00 64.15 H new ATOM 1522 N LEU A 100 13.068 -4.592 -23.974 1.00 5.13 N ATOM 1523 CA LEU A 100 13.550 -4.616 -25.350 1.00 45.14 C ATOM 1524 C LEU A 100 14.639 -3.570 -25.564 1.00 44.54 C ATOM 1525 O LEU A 100 15.059 -2.897 -24.624 1.00 5.44 O ATOM 1526 CB LEU A 100 12.394 -4.371 -26.321 1.00 13.42 C ATOM 1527 CG LEU A 100 11.203 -5.322 -26.200 1.00 30.20 C ATOM 1528 CD1 LEU A 100 10.193 -5.057 -27.306 1.00 2.22 C ATOM 1529 CD2 LEU A 100 11.671 -6.770 -26.239 1.00 10.32 C ATOM 0 H LEU A 100 12.395 -3.852 -23.776 1.00 5.13 H new ATOM 0 HA LEU A 100 13.975 -5.601 -25.542 1.00 45.14 H new ATOM 0 HB2 LEU A 100 12.035 -3.352 -26.178 1.00 13.42 H new ATOM 0 HB3 LEU A 100 12.781 -4.433 -27.338 1.00 13.42 H new ATOM 0 HG LEU A 100 10.716 -5.143 -25.241 1.00 30.20 H new ATOM 0 HD11 LEU A 100 9.353 -5.743 -27.203 1.00 2.22 H new ATOM 0 HD12 LEU A 100 9.834 -4.030 -27.233 1.00 2.22 H new ATOM 0 HD13 LEU A 100 10.668 -5.207 -28.276 1.00 2.22 H new ATOM 0 HD21 LEU A 100 10.810 -7.433 -26.152 1.00 10.32 H new ATOM 0 HD22 LEU A 100 12.183 -6.962 -27.182 1.00 10.32 H new ATOM 0 HD23 LEU A 100 12.356 -6.953 -25.411 1.00 10.32 H new ATOM 1541 N GLN A 101 15.090 -3.437 -26.808 1.00 31.51 N ATOM 1542 CA GLN A 101 16.129 -2.472 -27.145 1.00 12.51 C ATOM 1543 C GLN A 101 15.526 -1.100 -27.428 1.00 55.21 C ATOM 1544 O GLN A 101 14.522 -0.985 -28.133 1.00 14.34 O ATOM 1545 CB GLN A 101 16.926 -2.951 -28.359 1.00 25.53 C ATOM 1546 CG GLN A 101 18.057 -2.015 -28.753 1.00 3.14 C ATOM 1547 CD GLN A 101 19.337 -2.291 -27.988 1.00 71.10 C ATOM 1548 OE1 GLN A 101 20.253 -2.934 -28.501 1.00 24.14 O ATOM 1549 NE2 GLN A 101 19.406 -1.805 -26.754 1.00 62.22 N ATOM 0 H GLN A 101 14.752 -3.986 -27.598 1.00 31.51 H new ATOM 0 HA GLN A 101 16.800 -2.385 -26.290 1.00 12.51 H new ATOM 0 HB2 GLN A 101 17.339 -3.937 -28.146 1.00 25.53 H new ATOM 0 HB3 GLN A 101 16.249 -3.065 -29.205 1.00 25.53 H new ATOM 0 HG2 GLN A 101 18.249 -2.113 -29.822 1.00 3.14 H new ATOM 0 HG3 GLN A 101 17.748 -0.984 -28.577 1.00 3.14 H new ATOM 0 HE21 GLN A 101 18.622 -1.278 -26.369 1.00 62.22 H new ATOM 0 HE22 GLN A 101 20.243 -1.959 -26.191 1.00 62.22 H new ATOM 1558 N LEU A 102 16.143 -0.062 -26.875 1.00 1.10 N ATOM 1559 CA LEU A 102 15.667 1.304 -27.068 1.00 32.53 C ATOM 1560 C LEU A 102 15.466 1.606 -28.549 1.00 53.01 C ATOM 1561 O LEU A 102 16.381 1.448 -29.355 1.00 63.14 O ATOM 1562 CB LEU A 102 16.657 2.300 -26.462 1.00 15.12 C ATOM 1563 CG LEU A 102 16.125 3.162 -25.316 1.00 32.31 C ATOM 1564 CD1 LEU A 102 17.203 4.111 -24.817 1.00 22.33 C ATOM 1565 CD2 LEU A 102 14.893 3.937 -25.759 1.00 52.20 C ATOM 0 H LEU A 102 16.974 -0.140 -26.289 1.00 1.10 H new ATOM 0 HA LEU A 102 14.706 1.403 -26.563 1.00 32.53 H new ATOM 0 HB2 LEU A 102 17.524 1.746 -26.101 1.00 15.12 H new ATOM 0 HB3 LEU A 102 17.008 2.961 -27.255 1.00 15.12 H new ATOM 0 HG LEU A 102 15.840 2.505 -24.495 1.00 32.31 H new ATOM 0 HD11 LEU A 102 16.806 4.716 -24.002 1.00 22.33 H new ATOM 0 HD12 LEU A 102 18.057 3.536 -24.459 1.00 22.33 H new ATOM 0 HD13 LEU A 102 17.520 4.762 -25.632 1.00 22.33 H new ATOM 0 HD21 LEU A 102 14.528 4.545 -24.931 1.00 52.20 H new ATOM 0 HD22 LEU A 102 15.152 4.584 -26.597 1.00 52.20 H new ATOM 0 HD23 LEU A 102 14.115 3.238 -26.067 1.00 52.20 H new ATOM 1577 N GLY A 103 14.260 2.044 -28.900 1.00 44.32 N ATOM 1578 CA GLY A 103 13.961 2.364 -30.284 1.00 4.22 C ATOM 1579 C GLY A 103 13.222 1.246 -30.991 1.00 32.22 C ATOM 1580 O GLY A 103 13.216 1.175 -32.220 1.00 11.32 O ATOM 0 H GLY A 103 13.485 2.183 -28.251 1.00 44.32 H new ATOM 0 HA2 GLY A 103 13.361 3.273 -30.322 1.00 4.22 H new ATOM 0 HA3 GLY A 103 14.890 2.573 -30.814 1.00 4.22 H new ATOM 1584 N VAL A 104 12.597 0.367 -30.213 1.00 1.20 N ATOM 1585 CA VAL A 104 11.852 -0.754 -30.772 1.00 35.11 C ATOM 1586 C VAL A 104 10.368 -0.650 -30.436 1.00 22.05 C ATOM 1587 O VAL A 104 9.997 -0.181 -29.359 1.00 40.33 O ATOM 1588 CB VAL A 104 12.391 -2.101 -30.254 1.00 12.30 C ATOM 1589 CG1 VAL A 104 12.033 -2.291 -28.788 1.00 74.20 C ATOM 1590 CG2 VAL A 104 11.854 -3.248 -31.096 1.00 23.40 C ATOM 0 H VAL A 104 12.592 0.410 -29.194 1.00 1.20 H new ATOM 0 HA VAL A 104 11.981 -0.711 -31.854 1.00 35.11 H new ATOM 0 HB VAL A 104 13.478 -2.096 -30.340 1.00 12.30 H new ATOM 0 HG11 VAL A 104 12.422 -3.248 -28.440 1.00 74.20 H new ATOM 0 HG12 VAL A 104 12.471 -1.485 -28.199 1.00 74.20 H new ATOM 0 HG13 VAL A 104 10.949 -2.276 -28.673 1.00 74.20 H new ATOM 0 HG21 VAL A 104 12.245 -4.192 -30.716 1.00 23.40 H new ATOM 0 HG22 VAL A 104 10.765 -3.259 -31.044 1.00 23.40 H new ATOM 0 HG23 VAL A 104 12.167 -3.116 -32.132 1.00 23.40 H new ATOM 1600 N ILE A 105 9.525 -1.091 -31.363 1.00 14.14 N ATOM 1601 CA ILE A 105 8.081 -1.049 -31.163 1.00 43.24 C ATOM 1602 C ILE A 105 7.406 -2.273 -31.772 1.00 24.41 C ATOM 1603 O ILE A 105 7.206 -2.346 -32.983 1.00 70.34 O ATOM 1604 CB ILE A 105 7.465 0.222 -31.778 1.00 60.33 C ATOM 1605 CG1 ILE A 105 8.165 1.469 -31.235 1.00 65.13 C ATOM 1606 CG2 ILE A 105 5.972 0.279 -31.491 1.00 61.41 C ATOM 1607 CD1 ILE A 105 7.725 2.750 -31.907 1.00 55.42 C ATOM 0 H ILE A 105 9.816 -1.481 -32.259 1.00 14.14 H new ATOM 0 HA ILE A 105 7.911 -1.041 -30.086 1.00 43.24 H new ATOM 0 HB ILE A 105 7.607 0.190 -32.858 1.00 60.33 H new ATOM 0 HG12 ILE A 105 7.974 1.546 -30.165 1.00 65.13 H new ATOM 0 HG13 ILE A 105 9.242 1.354 -31.359 1.00 65.13 H new ATOM 0 HG21 ILE A 105 5.551 1.183 -31.932 1.00 61.41 H new ATOM 0 HG22 ILE A 105 5.485 -0.596 -31.922 1.00 61.41 H new ATOM 0 HG23 ILE A 105 5.809 0.291 -30.413 1.00 61.41 H new ATOM 0 HD11 ILE A 105 8.262 3.592 -31.472 1.00 55.42 H new ATOM 0 HD12 ILE A 105 7.941 2.694 -32.974 1.00 55.42 H new ATOM 0 HD13 ILE A 105 6.654 2.888 -31.761 1.00 55.42 H new ATOM 1619 N ASN A 106 7.057 -3.233 -30.922 1.00 34.14 N ATOM 1620 CA ASN A 106 6.402 -4.455 -31.375 1.00 64.13 C ATOM 1621 C ASN A 106 5.037 -4.618 -30.715 1.00 74.13 C ATOM 1622 O ASN A 106 4.922 -5.208 -29.641 1.00 42.34 O ATOM 1623 CB ASN A 106 7.278 -5.671 -31.068 1.00 62.41 C ATOM 1624 CG ASN A 106 8.603 -5.630 -31.804 1.00 64.43 C ATOM 1625 OD1 ASN A 106 9.258 -4.590 -31.869 1.00 3.02 O ATOM 1626 ND2 ASN A 106 9.004 -6.766 -32.364 1.00 44.11 N ATOM 0 H ASN A 106 7.217 -3.189 -29.916 1.00 34.14 H new ATOM 0 HA ASN A 106 6.257 -4.382 -32.453 1.00 64.13 H new ATOM 0 HB2 ASN A 106 7.463 -5.720 -29.995 1.00 62.41 H new ATOM 0 HB3 ASN A 106 6.742 -6.580 -31.341 1.00 62.41 H new ATOM 0 HD21 ASN A 106 9.887 -6.800 -32.873 1.00 44.11 H new ATOM 0 HD22 ASN A 106 8.429 -7.605 -32.285 1.00 44.11 H new ATOM 1633 N GLU A 107 4.004 -4.092 -31.367 1.00 10.25 N ATOM 1634 CA GLU A 107 2.646 -4.179 -30.842 1.00 61.22 C ATOM 1635 C GLU A 107 2.280 -5.625 -30.519 1.00 12.11 C ATOM 1636 O GLU A 107 1.525 -5.890 -29.584 1.00 11.32 O ATOM 1637 CB GLU A 107 1.649 -3.602 -31.849 1.00 12.33 C ATOM 1638 CG GLU A 107 0.216 -3.586 -31.345 1.00 14.54 C ATOM 1639 CD GLU A 107 -0.712 -2.798 -32.249 1.00 73.34 C ATOM 1640 OE1 GLU A 107 -0.209 -1.973 -33.041 1.00 31.33 O ATOM 1641 OE2 GLU A 107 -1.941 -3.007 -32.166 1.00 44.43 O ATOM 0 H GLU A 107 4.082 -3.602 -32.258 1.00 10.25 H new ATOM 0 HA GLU A 107 2.601 -3.596 -29.922 1.00 61.22 H new ATOM 0 HB2 GLU A 107 1.948 -2.585 -32.101 1.00 12.33 H new ATOM 0 HB3 GLU A 107 1.695 -4.185 -32.769 1.00 12.33 H new ATOM 0 HG2 GLU A 107 -0.147 -4.610 -31.262 1.00 14.54 H new ATOM 0 HG3 GLU A 107 0.192 -3.157 -30.343 1.00 14.54 H new ATOM 1648 N GLN A 108 2.820 -6.555 -31.300 1.00 11.20 N ATOM 1649 CA GLN A 108 2.549 -7.973 -31.098 1.00 32.22 C ATOM 1650 C GLN A 108 3.198 -8.473 -29.812 1.00 22.53 C ATOM 1651 O GLN A 108 2.534 -9.058 -28.956 1.00 51.51 O ATOM 1652 CB GLN A 108 3.057 -8.786 -32.290 1.00 23.25 C ATOM 1653 CG GLN A 108 2.031 -9.762 -32.842 1.00 62.05 C ATOM 1654 CD GLN A 108 2.612 -10.686 -33.894 1.00 64.41 C ATOM 1655 OE1 GLN A 108 3.121 -10.108 -34.975 1.00 2.43 O flip ATOM 1656 NE2 GLN A 108 2.604 -11.908 -33.737 1.00 42.45 N flip ATOM 0 H GLN A 108 3.447 -6.352 -32.078 1.00 11.20 H new ATOM 0 HA GLN A 108 1.470 -8.103 -31.013 1.00 32.22 H new ATOM 0 HB2 GLN A 108 3.359 -8.102 -33.083 1.00 23.25 H new ATOM 0 HB3 GLN A 108 3.947 -9.339 -31.989 1.00 23.25 H new ATOM 0 HG2 GLN A 108 1.625 -10.358 -32.024 1.00 62.05 H new ATOM 0 HG3 GLN A 108 1.200 -9.204 -33.273 1.00 62.05 H new ATOM 0 HE21 GLN A 108 2.202 -12.311 -32.890 1.00 42.45 H new ATOM 0 HE22 GLN A 108 2.999 -12.517 -34.454 1.00 42.45 H new ATOM 1665 N ALA A 109 4.500 -8.241 -29.683 1.00 2.33 N ATOM 1666 CA ALA A 109 5.239 -8.666 -28.500 1.00 71.34 C ATOM 1667 C ALA A 109 4.604 -8.115 -27.228 1.00 74.43 C ATOM 1668 O ALA A 109 4.717 -8.712 -26.158 1.00 4.31 O ATOM 1669 CB ALA A 109 6.692 -8.227 -28.600 1.00 23.34 C ATOM 0 H ALA A 109 5.065 -7.761 -30.383 1.00 2.33 H new ATOM 0 HA ALA A 109 5.202 -9.754 -28.451 1.00 71.34 H new ATOM 0 HB1 ALA A 109 7.232 -8.551 -27.710 1.00 23.34 H new ATOM 0 HB2 ALA A 109 7.147 -8.674 -29.484 1.00 23.34 H new ATOM 0 HB3 ALA A 109 6.739 -7.141 -28.678 1.00 23.34 H new ATOM 1675 N ALA A 110 3.935 -6.973 -27.353 1.00 22.51 N ATOM 1676 CA ALA A 110 3.281 -6.343 -26.213 1.00 72.12 C ATOM 1677 C ALA A 110 2.006 -7.087 -25.832 1.00 34.24 C ATOM 1678 O ALA A 110 1.632 -7.139 -24.660 1.00 13.42 O ATOM 1679 CB ALA A 110 2.971 -4.886 -26.522 1.00 4.31 C ATOM 0 H ALA A 110 3.832 -6.466 -28.232 1.00 22.51 H new ATOM 0 HA ALA A 110 3.964 -6.386 -25.364 1.00 72.12 H new ATOM 0 HB1 ALA A 110 2.483 -4.428 -25.662 1.00 4.31 H new ATOM 0 HB2 ALA A 110 3.898 -4.355 -26.739 1.00 4.31 H new ATOM 0 HB3 ALA A 110 2.310 -4.830 -27.387 1.00 4.31 H new ATOM 1685 N VAL A 111 1.341 -7.663 -26.829 1.00 12.54 N ATOM 1686 CA VAL A 111 0.107 -8.404 -26.597 1.00 62.42 C ATOM 1687 C VAL A 111 0.390 -9.746 -25.931 1.00 34.30 C ATOM 1688 O VAL A 111 -0.310 -10.149 -25.000 1.00 64.44 O ATOM 1689 CB VAL A 111 -0.657 -8.647 -27.912 1.00 62.44 C ATOM 1690 CG1 VAL A 111 -2.013 -9.278 -27.634 1.00 25.31 C ATOM 1691 CG2 VAL A 111 -0.814 -7.347 -28.685 1.00 45.52 C ATOM 0 H VAL A 111 1.636 -7.631 -27.805 1.00 12.54 H new ATOM 0 HA VAL A 111 -0.509 -7.795 -25.935 1.00 62.42 H new ATOM 0 HB VAL A 111 -0.079 -9.340 -28.524 1.00 62.44 H new ATOM 0 HG11 VAL A 111 -2.538 -9.442 -28.575 1.00 25.31 H new ATOM 0 HG12 VAL A 111 -1.873 -10.232 -27.126 1.00 25.31 H new ATOM 0 HG13 VAL A 111 -2.601 -8.613 -27.002 1.00 25.31 H new ATOM 0 HG21 VAL A 111 -1.356 -7.538 -29.611 1.00 45.52 H new ATOM 0 HG22 VAL A 111 -1.369 -6.629 -28.081 1.00 45.52 H new ATOM 0 HG23 VAL A 111 0.170 -6.941 -28.918 1.00 45.52 H new ATOM 1701 N LEU A 112 1.419 -10.434 -26.412 1.00 71.44 N ATOM 1702 CA LEU A 112 1.796 -11.732 -25.863 1.00 75.32 C ATOM 1703 C LEU A 112 1.956 -11.657 -24.348 1.00 52.32 C ATOM 1704 O LEU A 112 1.345 -12.429 -23.610 1.00 62.32 O ATOM 1705 CB LEU A 112 3.097 -12.220 -26.502 1.00 3.05 C ATOM 1706 CG LEU A 112 2.984 -13.452 -27.400 1.00 31.11 C ATOM 1707 CD1 LEU A 112 4.274 -13.667 -28.176 1.00 74.15 C ATOM 1708 CD2 LEU A 112 2.645 -14.685 -26.574 1.00 55.43 C ATOM 0 H LEU A 112 2.008 -10.115 -27.181 1.00 71.44 H new ATOM 0 HA LEU A 112 0.999 -12.440 -26.091 1.00 75.32 H new ATOM 0 HB2 LEU A 112 3.518 -11.404 -27.090 1.00 3.05 H new ATOM 0 HB3 LEU A 112 3.809 -12.439 -25.706 1.00 3.05 H new ATOM 0 HG LEU A 112 2.178 -13.284 -28.114 1.00 31.11 H new ATOM 0 HD11 LEU A 112 4.175 -14.548 -28.810 1.00 74.15 H new ATOM 0 HD12 LEU A 112 4.475 -12.794 -28.797 1.00 74.15 H new ATOM 0 HD13 LEU A 112 5.098 -13.813 -27.478 1.00 74.15 H new ATOM 0 HD21 LEU A 112 2.568 -15.552 -27.230 1.00 55.43 H new ATOM 0 HD22 LEU A 112 3.429 -14.856 -25.836 1.00 55.43 H new ATOM 0 HD23 LEU A 112 1.694 -14.531 -26.064 1.00 55.43 H new ATOM 1720 N ALA A 113 2.780 -10.719 -23.892 1.00 32.24 N ATOM 1721 CA ALA A 113 3.017 -10.540 -22.465 1.00 11.34 C ATOM 1722 C ALA A 113 1.747 -10.090 -21.749 1.00 64.14 C ATOM 1723 O ALA A 113 1.509 -10.457 -20.599 1.00 2.45 O ATOM 1724 CB ALA A 113 4.137 -9.535 -22.238 1.00 53.10 C ATOM 0 H ALA A 113 3.294 -10.072 -24.490 1.00 32.24 H new ATOM 0 HA ALA A 113 3.316 -11.502 -22.048 1.00 11.34 H new ATOM 0 HB1 ALA A 113 4.303 -9.411 -21.168 1.00 53.10 H new ATOM 0 HB2 ALA A 113 5.051 -9.897 -22.708 1.00 53.10 H new ATOM 0 HB3 ALA A 113 3.860 -8.576 -22.676 1.00 53.10 H new ATOM 1730 N ARG A 114 0.936 -9.294 -22.438 1.00 42.11 N ATOM 1731 CA ARG A 114 -0.308 -8.793 -21.867 1.00 52.23 C ATOM 1732 C ARG A 114 -1.307 -9.928 -21.661 1.00 14.51 C ATOM 1733 O ARG A 114 -2.121 -9.890 -20.738 1.00 63.33 O ATOM 1734 CB ARG A 114 -0.916 -7.723 -22.776 1.00 12.54 C ATOM 1735 CG ARG A 114 -0.798 -6.313 -22.219 1.00 55.02 C ATOM 1736 CD ARG A 114 -1.678 -5.337 -22.984 1.00 54.22 C ATOM 1737 NE ARG A 114 -1.880 -4.090 -22.250 1.00 61.51 N ATOM 1738 CZ ARG A 114 -2.650 -3.099 -22.683 1.00 52.33 C ATOM 1739 NH1 ARG A 114 -3.288 -3.207 -23.840 1.00 75.43 N ATOM 1740 NH2 ARG A 114 -2.784 -1.995 -21.958 1.00 64.43 N ATOM 0 H ARG A 114 1.118 -8.982 -23.392 1.00 42.11 H new ATOM 0 HA ARG A 114 -0.082 -8.350 -20.897 1.00 52.23 H new ATOM 0 HB2 ARG A 114 -0.425 -7.763 -23.749 1.00 12.54 H new ATOM 0 HB3 ARG A 114 -1.969 -7.953 -22.940 1.00 12.54 H new ATOM 0 HG2 ARG A 114 -1.081 -6.312 -21.166 1.00 55.02 H new ATOM 0 HG3 ARG A 114 0.240 -5.986 -22.271 1.00 55.02 H new ATOM 0 HD2 ARG A 114 -1.223 -5.119 -23.950 1.00 54.22 H new ATOM 0 HD3 ARG A 114 -2.644 -5.800 -23.184 1.00 54.22 H new ATOM 0 HE ARG A 114 -1.403 -3.974 -21.356 1.00 61.51 H new ATOM 0 HH11 ARG A 114 -3.188 -4.053 -24.400 1.00 75.43 H new ATOM 0 HH12 ARG A 114 -3.879 -2.444 -24.170 1.00 75.43 H new ATOM 0 HH21 ARG A 114 -2.295 -1.907 -21.067 1.00 64.43 H new ATOM 0 HH22 ARG A 114 -3.376 -1.234 -22.292 1.00 64.43 H new ATOM 1754 N GLU A 115 -1.239 -10.934 -22.527 1.00 13.02 N ATOM 1755 CA GLU A 115 -2.139 -12.078 -22.439 1.00 72.14 C ATOM 1756 C GLU A 115 -1.899 -12.862 -21.153 1.00 23.34 C ATOM 1757 O GLU A 115 -2.839 -13.200 -20.434 1.00 70.23 O ATOM 1758 CB GLU A 115 -1.954 -12.995 -23.650 1.00 43.34 C ATOM 1759 CG GLU A 115 -2.827 -12.621 -24.836 1.00 51.32 C ATOM 1760 CD GLU A 115 -4.308 -12.737 -24.530 1.00 24.20 C ATOM 1761 OE1 GLU A 115 -4.682 -13.623 -23.734 1.00 25.51 O ATOM 1762 OE2 GLU A 115 -5.092 -11.941 -25.087 1.00 14.01 O ATOM 0 H GLU A 115 -0.571 -10.980 -23.297 1.00 13.02 H new ATOM 0 HA GLU A 115 -3.162 -11.702 -22.429 1.00 72.14 H new ATOM 0 HB2 GLU A 115 -0.908 -12.971 -23.957 1.00 43.34 H new ATOM 0 HB3 GLU A 115 -2.176 -14.021 -23.356 1.00 43.34 H new ATOM 0 HG2 GLU A 115 -2.602 -11.599 -25.140 1.00 51.32 H new ATOM 0 HG3 GLU A 115 -2.583 -13.266 -25.680 1.00 51.32 H new ATOM 1769 N ALA A 116 -0.632 -13.149 -20.869 1.00 53.31 N ATOM 1770 CA ALA A 116 -0.267 -13.891 -19.669 1.00 72.52 C ATOM 1771 C ALA A 116 -0.236 -12.980 -18.447 1.00 44.44 C ATOM 1772 O ALA A 116 -0.389 -13.437 -17.316 1.00 2.55 O ATOM 1773 CB ALA A 116 1.081 -14.570 -19.859 1.00 23.34 C ATOM 0 H ALA A 116 0.158 -12.879 -21.454 1.00 53.31 H new ATOM 0 HA ALA A 116 -1.026 -14.655 -19.499 1.00 72.52 H new ATOM 0 HB1 ALA A 116 1.342 -15.121 -18.955 1.00 23.34 H new ATOM 0 HB2 ALA A 116 1.025 -15.260 -20.701 1.00 23.34 H new ATOM 0 HB3 ALA A 116 1.843 -13.816 -20.057 1.00 23.34 H new ATOM 1779 N GLY A 117 -0.035 -11.687 -18.684 1.00 41.44 N ATOM 1780 CA GLY A 117 0.014 -10.731 -17.593 1.00 60.31 C ATOM 1781 C GLY A 117 1.420 -10.233 -17.321 1.00 54.15 C ATOM 1782 O GLY A 117 1.622 -9.344 -16.493 1.00 60.10 O ATOM 0 H GLY A 117 0.095 -11.285 -19.612 1.00 41.44 H new ATOM 0 HA2 GLY A 117 -0.629 -9.883 -17.828 1.00 60.31 H new ATOM 0 HA3 GLY A 117 -0.385 -11.194 -16.690 1.00 60.31 H new ATOM 1786 N LEU A 118 2.394 -10.807 -18.019 1.00 11.43 N ATOM 1787 CA LEU A 118 3.789 -10.417 -17.848 1.00 2.54 C ATOM 1788 C LEU A 118 3.952 -8.906 -17.980 1.00 4.30 C ATOM 1789 O LEU A 118 3.071 -8.219 -18.496 1.00 52.00 O ATOM 1790 CB LEU A 118 4.668 -11.128 -18.878 1.00 22.14 C ATOM 1791 CG LEU A 118 6.037 -11.597 -18.382 1.00 51.14 C ATOM 1792 CD1 LEU A 118 5.891 -12.819 -17.489 1.00 3.45 C ATOM 1793 CD2 LEU A 118 6.954 -11.900 -19.558 1.00 61.32 C ATOM 0 H LEU A 118 2.243 -11.544 -18.708 1.00 11.43 H new ATOM 0 HA LEU A 118 4.103 -10.712 -16.847 1.00 2.54 H new ATOM 0 HB2 LEU A 118 4.124 -11.994 -19.255 1.00 22.14 H new ATOM 0 HB3 LEU A 118 4.820 -10.456 -19.722 1.00 22.14 H new ATOM 0 HG LEU A 118 6.484 -10.795 -17.795 1.00 51.14 H new ATOM 0 HD11 LEU A 118 6.875 -13.138 -17.146 1.00 3.45 H new ATOM 0 HD12 LEU A 118 5.270 -12.569 -16.629 1.00 3.45 H new ATOM 0 HD13 LEU A 118 5.423 -13.627 -18.052 1.00 3.45 H new ATOM 0 HD21 LEU A 118 7.924 -12.232 -19.187 1.00 61.32 H new ATOM 0 HD22 LEU A 118 6.512 -12.685 -20.171 1.00 61.32 H new ATOM 0 HD23 LEU A 118 7.084 -11.000 -20.159 1.00 61.32 H new ATOM 1805 N SER A 119 5.087 -8.395 -17.512 1.00 71.03 N ATOM 1806 CA SER A 119 5.365 -6.965 -17.577 1.00 24.11 C ATOM 1807 C SER A 119 6.332 -6.651 -18.714 1.00 44.24 C ATOM 1808 O SER A 119 7.549 -6.746 -18.554 1.00 63.25 O ATOM 1809 CB SER A 119 5.947 -6.477 -16.249 1.00 13.33 C ATOM 1810 OG SER A 119 5.389 -5.229 -15.876 1.00 14.40 O ATOM 0 H SER A 119 5.828 -8.950 -17.084 1.00 71.03 H new ATOM 0 HA SER A 119 4.426 -6.445 -17.768 1.00 24.11 H new ATOM 0 HB2 SER A 119 5.751 -7.214 -15.470 1.00 13.33 H new ATOM 0 HB3 SER A 119 7.030 -6.384 -16.335 1.00 13.33 H new ATOM 0 HG SER A 119 5.075 -5.275 -14.949 1.00 14.40 H new ATOM 1816 N VAL A 120 5.781 -6.275 -19.864 1.00 64.44 N ATOM 1817 CA VAL A 120 6.594 -5.946 -21.030 1.00 15.45 C ATOM 1818 C VAL A 120 6.917 -4.456 -21.070 1.00 73.35 C ATOM 1819 O VAL A 120 6.089 -3.620 -20.708 1.00 20.21 O ATOM 1820 CB VAL A 120 5.885 -6.342 -22.338 1.00 74.12 C ATOM 1821 CG1 VAL A 120 4.511 -5.694 -22.419 1.00 71.00 C ATOM 1822 CG2 VAL A 120 6.735 -5.961 -23.541 1.00 13.13 C ATOM 0 H VAL A 120 4.776 -6.191 -20.013 1.00 64.44 H new ATOM 0 HA VAL A 120 7.520 -6.514 -20.942 1.00 15.45 H new ATOM 0 HB VAL A 120 5.751 -7.424 -22.345 1.00 74.12 H new ATOM 0 HG11 VAL A 120 4.025 -5.986 -23.350 1.00 71.00 H new ATOM 0 HG12 VAL A 120 3.904 -6.022 -21.575 1.00 71.00 H new ATOM 0 HG13 VAL A 120 4.618 -4.610 -22.390 1.00 71.00 H new ATOM 0 HG21 VAL A 120 6.219 -6.248 -24.457 1.00 13.13 H new ATOM 0 HG22 VAL A 120 6.903 -4.884 -23.541 1.00 13.13 H new ATOM 0 HG23 VAL A 120 7.693 -6.478 -23.488 1.00 13.13 H new ATOM 1832 N VAL A 121 8.126 -4.131 -21.515 1.00 44.21 N ATOM 1833 CA VAL A 121 8.559 -2.741 -21.605 1.00 64.54 C ATOM 1834 C VAL A 121 9.457 -2.523 -22.818 1.00 72.44 C ATOM 1835 O VAL A 121 10.598 -2.982 -22.849 1.00 5.32 O ATOM 1836 CB VAL A 121 9.315 -2.306 -20.336 1.00 44.43 C ATOM 1837 CG1 VAL A 121 9.604 -0.813 -20.373 1.00 1.42 C ATOM 1838 CG2 VAL A 121 8.522 -2.673 -19.091 1.00 61.34 C ATOM 0 H VAL A 121 8.823 -4.811 -21.819 1.00 44.21 H new ATOM 0 HA VAL A 121 7.659 -2.135 -21.709 1.00 64.54 H new ATOM 0 HB VAL A 121 10.267 -2.836 -20.301 1.00 44.43 H new ATOM 0 HG11 VAL A 121 10.139 -0.523 -19.468 1.00 1.42 H new ATOM 0 HG12 VAL A 121 10.215 -0.582 -21.245 1.00 1.42 H new ATOM 0 HG13 VAL A 121 8.665 -0.262 -20.432 1.00 1.42 H new ATOM 0 HG21 VAL A 121 9.071 -2.358 -18.204 1.00 61.34 H new ATOM 0 HG22 VAL A 121 7.554 -2.172 -19.115 1.00 61.34 H new ATOM 0 HG23 VAL A 121 8.371 -3.752 -19.061 1.00 61.34 H new ATOM 1848 N MET A 122 8.932 -1.820 -23.817 1.00 4.13 N ATOM 1849 CA MET A 122 9.687 -1.539 -25.032 1.00 64.34 C ATOM 1850 C MET A 122 10.121 -0.078 -25.078 1.00 3.45 C ATOM 1851 O MET A 122 9.787 0.707 -24.190 1.00 34.34 O ATOM 1852 CB MET A 122 8.849 -1.873 -26.268 1.00 14.24 C ATOM 1853 CG MET A 122 7.598 -1.019 -26.402 1.00 3.22 C ATOM 1854 SD MET A 122 6.098 -1.906 -25.940 1.00 22.22 S ATOM 1855 CE MET A 122 4.901 -0.574 -25.946 1.00 42.21 C ATOM 0 H MET A 122 7.987 -1.435 -23.809 1.00 4.13 H new ATOM 0 HA MET A 122 10.580 -2.164 -25.027 1.00 64.34 H new ATOM 0 HB2 MET A 122 9.464 -1.745 -27.159 1.00 14.24 H new ATOM 0 HB3 MET A 122 8.560 -2.923 -26.228 1.00 14.24 H new ATOM 0 HG2 MET A 122 7.699 -0.133 -25.775 1.00 3.22 H new ATOM 0 HG3 MET A 122 7.508 -0.673 -27.432 1.00 3.22 H new ATOM 0 HE1 MET A 122 3.920 -0.966 -25.678 1.00 42.21 H new ATOM 0 HE2 MET A 122 5.198 0.185 -25.223 1.00 42.21 H new ATOM 0 HE3 MET A 122 4.856 -0.130 -26.940 1.00 42.21 H new ATOM 1865 N ASP A 123 10.868 0.281 -26.116 1.00 54.42 N ATOM 1866 CA ASP A 123 11.347 1.649 -26.277 1.00 54.31 C ATOM 1867 C ASP A 123 12.050 2.131 -25.012 1.00 44.02 C ATOM 1868 O ASP A 123 11.966 3.305 -24.652 1.00 14.12 O ATOM 1869 CB ASP A 123 10.184 2.583 -26.616 1.00 14.14 C ATOM 1870 CG ASP A 123 10.607 3.738 -27.501 1.00 45.32 C ATOM 1871 OD1 ASP A 123 11.286 3.487 -28.519 1.00 3.33 O ATOM 1872 OD2 ASP A 123 10.261 4.894 -27.176 1.00 62.44 O ATOM 0 H ASP A 123 11.155 -0.356 -26.859 1.00 54.42 H new ATOM 0 HA ASP A 123 12.064 1.662 -27.097 1.00 54.31 H new ATOM 0 HB2 ASP A 123 9.400 2.015 -27.116 1.00 14.14 H new ATOM 0 HB3 ASP A 123 9.756 2.974 -25.693 1.00 14.14 H new ATOM 1877 N ARG A 124 12.744 1.216 -24.342 1.00 53.42 N ATOM 1878 CA ARG A 124 13.460 1.547 -23.116 1.00 40.43 C ATOM 1879 C ARG A 124 14.758 0.751 -23.013 1.00 14.20 C ATOM 1880 O ARG A 124 14.913 -0.288 -23.656 1.00 40.42 O ATOM 1881 CB ARG A 124 12.581 1.270 -21.896 1.00 15.13 C ATOM 1882 CG ARG A 124 11.398 2.216 -21.770 1.00 12.54 C ATOM 1883 CD ARG A 124 11.837 3.600 -21.316 1.00 22.22 C ATOM 1884 NE ARG A 124 10.781 4.593 -21.487 1.00 54.33 N ATOM 1885 CZ ARG A 124 10.840 5.823 -20.988 1.00 62.04 C ATOM 1886 NH1 ARG A 124 11.900 6.208 -20.291 1.00 51.41 N ATOM 1887 NH2 ARG A 124 9.838 6.670 -21.187 1.00 44.11 N ATOM 0 H ARG A 124 12.825 0.240 -24.628 1.00 53.42 H new ATOM 0 HA ARG A 124 13.706 2.609 -23.144 1.00 40.43 H new ATOM 0 HB2 ARG A 124 12.212 0.246 -21.950 1.00 15.13 H new ATOM 0 HB3 ARG A 124 13.191 1.342 -20.995 1.00 15.13 H new ATOM 0 HG2 ARG A 124 10.887 2.292 -22.730 1.00 12.54 H new ATOM 0 HG3 ARG A 124 10.680 1.809 -21.058 1.00 12.54 H new ATOM 0 HD2 ARG A 124 12.131 3.561 -20.267 1.00 22.22 H new ATOM 0 HD3 ARG A 124 12.717 3.905 -21.883 1.00 22.22 H new ATOM 0 HE ARG A 124 9.952 4.328 -22.019 1.00 54.33 H new ATOM 0 HH11 ARG A 124 12.672 5.560 -20.137 1.00 51.41 H new ATOM 0 HH12 ARG A 124 11.943 7.153 -19.909 1.00 51.41 H new ATOM 0 HH21 ARG A 124 9.021 6.377 -21.723 1.00 44.11 H new ATOM 0 HH22 ARG A 124 9.884 7.614 -20.803 1.00 44.11 H new ATOM 1901 N CYS A 125 15.686 1.245 -22.201 1.00 15.21 N ATOM 1902 CA CYS A 125 16.971 0.581 -22.014 1.00 75.33 C ATOM 1903 C CYS A 125 17.616 1.005 -20.699 1.00 42.03 C ATOM 1904 O CYS A 125 17.679 2.188 -20.364 1.00 23.15 O ATOM 1905 CB CYS A 125 17.906 0.898 -23.182 1.00 24.24 C ATOM 1906 SG CYS A 125 18.844 -0.526 -23.784 1.00 30.11 S ATOM 0 H CYS A 125 15.573 2.103 -21.662 1.00 15.21 H new ATOM 0 HA CYS A 125 16.796 -0.494 -21.980 1.00 75.33 H new ATOM 0 HB2 CYS A 125 17.318 1.306 -24.004 1.00 24.24 H new ATOM 0 HB3 CYS A 125 18.605 1.676 -22.873 1.00 24.24 H new ATOM 0 HG CYS A 125 19.604 -0.158 -24.772 1.00 30.11 H new ATOM 1912 N PRO A 126 18.106 0.018 -19.935 1.00 23.12 N ATOM 1913 CA PRO A 126 18.755 0.264 -18.643 1.00 52.35 C ATOM 1914 C PRO A 126 20.108 0.951 -18.796 1.00 31.31 C ATOM 1915 O PRO A 126 20.647 1.500 -17.836 1.00 3.20 O ATOM 1916 CB PRO A 126 18.930 -1.140 -18.061 1.00 24.30 C ATOM 1917 CG PRO A 126 18.971 -2.040 -19.248 1.00 31.14 C ATOM 1918 CD PRO A 126 18.066 -1.415 -20.273 1.00 13.24 C ATOM 0 HA PRO A 126 18.168 0.931 -18.012 1.00 52.35 H new ATOM 0 HB2 PRO A 126 19.847 -1.215 -17.476 1.00 24.30 H new ATOM 0 HB3 PRO A 126 18.106 -1.399 -17.396 1.00 24.30 H new ATOM 0 HG2 PRO A 126 19.987 -2.135 -19.631 1.00 31.14 H new ATOM 0 HG3 PRO A 126 18.633 -3.043 -18.989 1.00 31.14 H new ATOM 0 HD2 PRO A 126 18.420 -1.599 -21.287 1.00 13.24 H new ATOM 0 HD3 PRO A 126 17.054 -1.814 -20.212 1.00 13.24 H new ATOM 1926 N ALA A 127 20.651 0.916 -20.008 1.00 72.45 N ATOM 1927 CA ALA A 127 21.940 1.537 -20.287 1.00 32.34 C ATOM 1928 C ALA A 127 21.883 3.044 -20.062 1.00 31.13 C ATOM 1929 O ALA A 127 22.789 3.626 -19.465 1.00 11.32 O ATOM 1930 CB ALA A 127 22.377 1.230 -21.711 1.00 61.23 C ATOM 0 H ALA A 127 20.218 0.464 -20.813 1.00 72.45 H new ATOM 0 HA ALA A 127 22.673 1.120 -19.596 1.00 32.34 H new ATOM 0 HB1 ALA A 127 23.341 1.700 -21.905 1.00 61.23 H new ATOM 0 HB2 ALA A 127 22.467 0.151 -21.839 1.00 61.23 H new ATOM 0 HB3 ALA A 127 21.637 1.618 -22.410 1.00 61.23 H new ATOM 1936 N ILE A 128 20.814 3.669 -20.544 1.00 2.34 N ATOM 1937 CA ILE A 128 20.640 5.109 -20.394 1.00 62.32 C ATOM 1938 C ILE A 128 19.724 5.433 -19.219 1.00 72.32 C ATOM 1939 O ILE A 128 19.716 6.556 -18.717 1.00 43.01 O ATOM 1940 CB ILE A 128 20.060 5.741 -21.673 1.00 12.31 C ATOM 1941 CG1 ILE A 128 20.914 5.367 -22.886 1.00 51.10 C ATOM 1942 CG2 ILE A 128 19.975 7.253 -21.524 1.00 54.03 C ATOM 1943 CD1 ILE A 128 20.349 5.864 -24.199 1.00 25.24 C ATOM 0 H ILE A 128 20.056 3.202 -21.041 1.00 2.34 H new ATOM 0 HA ILE A 128 21.628 5.529 -20.207 1.00 62.32 H new ATOM 0 HB ILE A 128 19.053 5.353 -21.828 1.00 12.31 H new ATOM 0 HG12 ILE A 128 21.917 5.774 -22.754 1.00 51.10 H new ATOM 0 HG13 ILE A 128 21.013 4.282 -22.930 1.00 51.10 H new ATOM 0 HG21 ILE A 128 19.563 7.686 -22.436 1.00 54.03 H new ATOM 0 HG22 ILE A 128 19.329 7.500 -20.681 1.00 54.03 H new ATOM 0 HG23 ILE A 128 20.972 7.658 -21.348 1.00 54.03 H new ATOM 0 HD11 ILE A 128 21.006 5.563 -25.015 1.00 25.24 H new ATOM 0 HD12 ILE A 128 19.358 5.437 -24.354 1.00 25.24 H new ATOM 0 HD13 ILE A 128 20.275 6.951 -24.175 1.00 25.24 H new