USER MOD reduce.3.24.130724 H: found=0, std=0, add=809, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 809 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 93 LYS NZ :NH3+ 146:sc= 0.504 (180deg=0.0428) USER MOD Set 1.2: A 95 TYR OH : rot 30:sc= -1.29 USER MOD Set 2.1: A 15 CYS SG : rot 56:sc= 1.05 USER MOD Set 2.2: A 34 ASN : amide:sc= 0.578 K(o=1.6,f=-7.9!) USER MOD Single : A 9 GLN : amide:sc= -0.144 X(o=-0.14,f=-0.62) USER MOD Single : A 10 MET CE :methyl -135:sc= -6.42! (180deg=-11.3!) USER MOD Single : A 13 MET CE :methyl -160:sc= -5.11! (180deg=-5.7!) USER MOD Single : A 17 LYS NZ :NH3+ -162:sc= 0.673 (180deg=0.354) USER MOD Single : A 18 GLN : amide:sc= -10.3! C(o=-10!,f=-17!) USER MOD Single : A 20 MET CE :methyl -158:sc= -2.05 (180deg=-2.76!) USER MOD Single : A 25 LYS NZ :NH3+ -175:sc= 0.0673 (180deg=0.0653) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc= -0.0472 X(o=-0.047,f=-0.28) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -0.906 K(o=-0.91,f=-2.1!) USER MOD Single : A 36 TYR OH : rot -101:sc= 0.0204 USER MOD Single : A 37 CYS SG : rot 117:sc= -5.58! USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.197 F(o=-2.3,f=-0.2) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -2.62 X(o=-2.6,f=-2.4) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -2.23 K(o=-2.2,f=-9.5!) USER MOD Single : A 98 GLN : amide:sc= -0.0639 K(o=-0.064,f=-1.8!) USER MOD Single : A 100 LYS NZ :NH3+ -143:sc= -0.414 (180deg=-4!) USER MOD Single : A 105 MET CE :methyl 171:sc= -5.95! (180deg=-6.23!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.94 K(o=0.94,f=-0.69) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 66 N GLU A 8 -5.114 -14.028 1.240 1.00 0.00 N ATOM 67 CA GLU A 8 -5.558 -12.902 2.043 1.00 0.00 C ATOM 68 C GLU A 8 -5.643 -11.638 1.184 1.00 0.00 C ATOM 69 O GLU A 8 -4.621 -11.110 0.749 1.00 0.00 O ATOM 70 CB GLU A 8 -4.636 -12.687 3.245 1.00 0.00 C ATOM 71 CG GLU A 8 -5.173 -13.406 4.484 1.00 0.00 C ATOM 72 CD GLU A 8 -6.182 -12.531 5.231 1.00 0.00 C ATOM 73 OE1 GLU A 8 -5.738 -11.507 5.793 1.00 0.00 O ATOM 74 OE2 GLU A 8 -7.374 -12.907 5.222 1.00 0.00 O ATOM 0 HA GLU A 8 -6.554 -13.125 2.426 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.637 -13.054 3.012 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.543 -11.621 3.451 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.646 -14.342 4.189 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -4.347 -13.662 5.147 1.00 0.00 H new ATOM 81 N GLN A 9 -6.870 -11.191 0.965 1.00 0.00 N ATOM 82 CA GLN A 9 -7.101 -10.000 0.166 1.00 0.00 C ATOM 83 C GLN A 9 -7.239 -8.773 1.070 1.00 0.00 C ATOM 84 O GLN A 9 -7.652 -8.889 2.222 1.00 0.00 O ATOM 85 CB GLN A 9 -8.335 -10.167 -0.723 1.00 0.00 C ATOM 86 CG GLN A 9 -8.269 -11.477 -1.511 1.00 0.00 C ATOM 87 CD GLN A 9 -9.578 -12.259 -1.384 1.00 0.00 C ATOM 88 OE1 GLN A 9 -10.202 -12.309 -0.337 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.957 -12.866 -2.505 1.00 0.00 N ATOM 0 H GLN A 9 -7.715 -11.632 1.327 1.00 0.00 H new ATOM 0 HA GLN A 9 -6.241 -9.852 -0.487 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -9.235 -10.153 -0.108 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -8.407 -9.326 -1.413 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -8.069 -11.264 -2.561 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -7.441 -12.084 -1.145 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.388 -12.783 -3.347 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.817 -13.414 -2.522 1.00 0.00 H new ATOM 98 N MET A 10 -6.885 -7.624 0.512 1.00 0.00 N ATOM 99 CA MET A 10 -6.964 -6.377 1.253 1.00 0.00 C ATOM 100 C MET A 10 -7.009 -5.177 0.305 1.00 0.00 C ATOM 101 O MET A 10 -6.167 -5.051 -0.583 1.00 0.00 O ATOM 102 CB MET A 10 -5.749 -6.253 2.175 1.00 0.00 C ATOM 103 CG MET A 10 -5.735 -4.896 2.883 1.00 0.00 C ATOM 104 SD MET A 10 -5.083 -5.077 4.535 1.00 0.00 S ATOM 105 CE MET A 10 -5.413 -3.445 5.179 1.00 0.00 C ATOM 0 H MET A 10 -6.543 -7.531 -0.444 1.00 0.00 H new ATOM 0 HA MET A 10 -7.880 -6.385 1.843 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.766 -7.053 2.915 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.834 -6.374 1.595 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.128 -4.188 2.319 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.745 -4.487 2.924 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.536 -3.081 5.714 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.643 -2.769 4.356 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.262 -3.488 5.861 1.00 0.00 H new ATOM 115 N GLU A 11 -8.001 -4.327 0.525 1.00 0.00 N ATOM 116 CA GLU A 11 -8.167 -3.142 -0.300 1.00 0.00 C ATOM 117 C GLU A 11 -8.658 -1.968 0.550 1.00 0.00 C ATOM 118 O GLU A 11 -9.690 -2.066 1.214 1.00 0.00 O ATOM 119 CB GLU A 11 -9.123 -3.413 -1.464 1.00 0.00 C ATOM 120 CG GLU A 11 -10.421 -4.055 -0.969 1.00 0.00 C ATOM 121 CD GLU A 11 -11.445 -4.162 -2.101 1.00 0.00 C ATOM 122 OE1 GLU A 11 -11.004 -4.406 -3.244 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.646 -3.997 -1.796 1.00 0.00 O ATOM 0 H GLU A 11 -8.698 -4.435 1.262 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.197 -2.879 -0.723 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.348 -2.479 -1.979 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.642 -4.069 -2.189 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -10.211 -5.047 -0.569 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.836 -3.463 -0.153 1.00 0.00 H new ATOM 130 N GLY A 12 -7.896 -0.885 0.503 1.00 0.00 N ATOM 131 CA GLY A 12 -8.241 0.306 1.261 1.00 0.00 C ATOM 132 C GLY A 12 -7.418 1.509 0.795 1.00 0.00 C ATOM 133 O GLY A 12 -6.318 1.347 0.270 1.00 0.00 O ATOM 0 H GLY A 12 -7.041 -0.807 -0.048 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.303 0.520 1.145 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -8.066 0.130 2.322 1.00 0.00 H new ATOM 137 N MET A 13 -7.984 2.689 1.005 1.00 0.00 N ATOM 138 CA MET A 13 -7.317 3.919 0.613 1.00 0.00 C ATOM 139 C MET A 13 -5.955 4.046 1.299 1.00 0.00 C ATOM 140 O MET A 13 -5.869 4.015 2.526 1.00 0.00 O ATOM 141 CB MET A 13 -8.192 5.116 0.988 1.00 0.00 C ATOM 142 CG MET A 13 -7.793 6.358 0.189 1.00 0.00 C ATOM 143 SD MET A 13 -9.077 6.770 -0.981 1.00 0.00 S ATOM 144 CE MET A 13 -8.227 6.419 -2.510 1.00 0.00 C ATOM 0 H MET A 13 -8.897 2.819 1.441 1.00 0.00 H new ATOM 0 HA MET A 13 -7.159 3.898 -0.465 1.00 0.00 H new ATOM 0 HB2 MET A 13 -9.239 4.879 0.800 1.00 0.00 H new ATOM 0 HB3 MET A 13 -8.098 5.320 2.055 1.00 0.00 H new ATOM 0 HG2 MET A 13 -7.623 7.196 0.865 1.00 0.00 H new ATOM 0 HG3 MET A 13 -6.855 6.177 -0.336 1.00 0.00 H new ATOM 0 HE1 MET A 13 -8.723 6.939 -3.330 1.00 0.00 H new ATOM 0 HE2 MET A 13 -7.194 6.758 -2.438 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.244 5.345 -2.698 1.00 0.00 H new ATOM 154 N LEU A 14 -4.925 4.187 0.478 1.00 0.00 N ATOM 155 CA LEU A 14 -3.572 4.320 0.990 1.00 0.00 C ATOM 156 C LEU A 14 -2.814 5.354 0.156 1.00 0.00 C ATOM 157 O LEU A 14 -3.151 5.588 -1.005 1.00 0.00 O ATOM 158 CB LEU A 14 -2.885 2.954 1.049 1.00 0.00 C ATOM 159 CG LEU A 14 -2.629 2.391 2.448 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.907 2.412 3.290 1.00 0.00 C ATOM 161 CD2 LEU A 14 -2.015 0.992 2.373 1.00 0.00 C ATOM 0 H LEU A 14 -5.000 4.212 -0.539 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.588 4.688 2.016 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.495 2.239 0.497 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.930 3.027 0.528 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.904 3.034 2.947 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.697 2.006 4.280 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.263 3.438 3.386 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.672 1.807 2.805 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.843 0.615 3.381 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.696 0.323 1.847 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -1.067 1.039 1.837 1.00 0.00 H new ATOM 173 N CYS A 15 -1.806 5.946 0.778 1.00 0.00 N ATOM 174 CA CYS A 15 -0.998 6.950 0.107 1.00 0.00 C ATOM 175 C CYS A 15 0.223 6.257 -0.500 1.00 0.00 C ATOM 176 O CYS A 15 1.223 6.043 0.182 1.00 0.00 O ATOM 177 CB CYS A 15 -0.598 8.082 1.056 1.00 0.00 C ATOM 178 SG CYS A 15 -1.537 9.600 0.652 1.00 0.00 S ATOM 0 H CYS A 15 -1.530 5.750 1.740 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.581 7.418 -0.686 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -0.792 7.788 2.088 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.472 8.274 0.975 1.00 0.00 H new ATOM 0 HG CYS A 15 -2.811 9.347 0.698 1.00 0.00 H new ATOM 184 N ARG A 16 0.101 5.925 -1.777 1.00 0.00 N ATOM 185 CA ARG A 16 1.182 5.260 -2.484 1.00 0.00 C ATOM 186 C ARG A 16 2.131 6.293 -3.094 1.00 0.00 C ATOM 187 O ARG A 16 1.739 7.059 -3.973 1.00 0.00 O ATOM 188 CB ARG A 16 0.640 4.357 -3.594 1.00 0.00 C ATOM 189 CG ARG A 16 1.780 3.646 -4.328 1.00 0.00 C ATOM 190 CD ARG A 16 1.518 3.602 -5.835 1.00 0.00 C ATOM 191 NE ARG A 16 1.786 4.928 -6.435 1.00 0.00 N ATOM 192 CZ ARG A 16 1.865 5.154 -7.753 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.698 4.144 -8.617 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.111 6.390 -8.207 1.00 0.00 N ATOM 0 H ARG A 16 -0.730 6.104 -2.340 1.00 0.00 H new ATOM 0 HA ARG A 16 1.722 4.646 -1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 16 -0.039 3.619 -3.168 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.062 4.951 -4.302 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.720 4.162 -4.134 1.00 0.00 H new ATOM 0 HG3 ARG A 16 1.888 2.632 -3.944 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.153 2.848 -6.301 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.485 3.310 -6.024 1.00 0.00 H new ATOM 0 HE ARG A 16 1.919 5.719 -5.805 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.511 3.203 -8.271 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.758 4.316 -9.621 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.238 7.159 -7.549 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.171 6.562 -9.211 1.00 0.00 H new ATOM 208 N LYS A 17 3.363 6.279 -2.605 1.00 0.00 N ATOM 209 CA LYS A 17 4.371 7.205 -3.091 1.00 0.00 C ATOM 210 C LYS A 17 5.573 6.416 -3.613 1.00 0.00 C ATOM 211 O LYS A 17 6.363 5.891 -2.830 1.00 0.00 O ATOM 212 CB LYS A 17 4.729 8.225 -2.007 1.00 0.00 C ATOM 213 CG LYS A 17 5.826 9.176 -2.490 1.00 0.00 C ATOM 214 CD LYS A 17 6.997 9.208 -1.506 1.00 0.00 C ATOM 215 CE LYS A 17 8.211 9.907 -2.120 1.00 0.00 C ATOM 216 NZ LYS A 17 9.061 10.496 -1.061 1.00 0.00 N ATOM 0 H LYS A 17 3.685 5.641 -1.877 1.00 0.00 H new ATOM 0 HA LYS A 17 3.983 7.786 -3.928 1.00 0.00 H new ATOM 0 HB2 LYS A 17 3.842 8.796 -1.733 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.063 7.705 -1.109 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.180 8.860 -3.471 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.417 10.180 -2.606 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.697 9.726 -0.595 1.00 0.00 H new ATOM 0 HD3 LYS A 17 7.265 8.191 -1.221 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.791 9.194 -2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 17 7.880 10.688 -2.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 9.693 11.209 -1.479 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.459 10.946 -0.343 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.630 9.748 -0.616 1.00 0.00 H new ATOM 230 N GLN A 18 5.673 6.356 -4.933 1.00 0.00 N ATOM 231 CA GLN A 18 6.765 5.639 -5.569 1.00 0.00 C ATOM 232 C GLN A 18 8.100 6.316 -5.252 1.00 0.00 C ATOM 233 O GLN A 18 8.190 7.542 -5.233 1.00 0.00 O ATOM 234 CB GLN A 18 6.547 5.538 -7.080 1.00 0.00 C ATOM 235 CG GLN A 18 7.752 4.890 -7.765 1.00 0.00 C ATOM 236 CD GLN A 18 7.873 3.414 -7.382 1.00 0.00 C ATOM 237 OE1 GLN A 18 7.436 2.982 -6.328 1.00 0.00 O ATOM 238 NE2 GLN A 18 8.489 2.666 -8.294 1.00 0.00 N ATOM 0 H GLN A 18 5.016 6.792 -5.579 1.00 0.00 H new ATOM 0 HA GLN A 18 6.790 4.625 -5.170 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.650 4.953 -7.283 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.380 6.532 -7.494 1.00 0.00 H new ATOM 0 HG2 GLN A 18 7.653 4.982 -8.847 1.00 0.00 H new ATOM 0 HG3 GLN A 18 8.663 5.418 -7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.831 3.091 -9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 18 8.619 1.668 -8.131 1.00 0.00 H new ATOM 247 N GLU A 19 9.105 5.486 -5.010 1.00 0.00 N ATOM 248 CA GLU A 19 10.431 5.989 -4.695 1.00 0.00 C ATOM 249 C GLU A 19 11.463 5.407 -5.663 1.00 0.00 C ATOM 250 O GLU A 19 12.258 6.144 -6.245 1.00 0.00 O ATOM 251 CB GLU A 19 10.804 5.678 -3.244 1.00 0.00 C ATOM 252 CG GLU A 19 9.943 6.487 -2.271 1.00 0.00 C ATOM 253 CD GLU A 19 10.674 7.752 -1.814 1.00 0.00 C ATOM 254 OE1 GLU A 19 11.304 8.389 -2.686 1.00 0.00 O ATOM 255 OE2 GLU A 19 10.585 8.053 -0.604 1.00 0.00 O ATOM 0 H GLU A 19 9.027 4.469 -5.026 1.00 0.00 H new ATOM 0 HA GLU A 19 10.425 7.073 -4.810 1.00 0.00 H new ATOM 0 HB2 GLU A 19 10.674 4.613 -3.052 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.857 5.905 -3.079 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.003 6.759 -2.751 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.693 5.874 -1.405 1.00 0.00 H new ATOM 262 N MET A 20 11.418 4.091 -5.805 1.00 0.00 N ATOM 263 CA MET A 20 12.340 3.402 -6.692 1.00 0.00 C ATOM 264 C MET A 20 11.588 2.479 -7.654 1.00 0.00 C ATOM 265 O MET A 20 10.612 1.837 -7.269 1.00 0.00 O ATOM 266 CB MET A 20 13.328 2.579 -5.863 1.00 0.00 C ATOM 267 CG MET A 20 14.210 3.487 -5.003 1.00 0.00 C ATOM 268 SD MET A 20 15.353 4.387 -6.038 1.00 0.00 S ATOM 269 CE MET A 20 16.548 3.103 -6.369 1.00 0.00 C ATOM 0 H MET A 20 10.757 3.483 -5.321 1.00 0.00 H new ATOM 0 HA MET A 20 12.877 4.148 -7.278 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.782 1.885 -5.224 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.953 1.979 -6.525 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.589 4.185 -4.441 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.759 2.890 -4.274 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.498 3.555 -6.654 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.688 2.497 -5.474 1.00 0.00 H new ATOM 0 HE3 MET A 20 16.188 2.472 -7.181 1.00 0.00 H new ATOM 279 N GLU A 21 12.072 2.442 -8.887 1.00 0.00 N ATOM 280 CA GLU A 21 11.458 1.609 -9.907 1.00 0.00 C ATOM 281 C GLU A 21 12.331 0.384 -10.187 1.00 0.00 C ATOM 282 O GLU A 21 11.903 -0.544 -10.872 1.00 0.00 O ATOM 283 CB GLU A 21 11.205 2.406 -11.187 1.00 0.00 C ATOM 284 CG GLU A 21 10.717 1.494 -12.314 1.00 0.00 C ATOM 285 CD GLU A 21 9.727 2.226 -13.222 1.00 0.00 C ATOM 286 OE1 GLU A 21 10.033 3.384 -13.579 1.00 0.00 O ATOM 287 OE2 GLU A 21 8.686 1.611 -13.540 1.00 0.00 O ATOM 0 H GLU A 21 12.882 2.975 -9.203 1.00 0.00 H new ATOM 0 HA GLU A 21 10.492 1.266 -9.536 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.464 3.182 -10.996 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.122 2.910 -11.493 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.568 1.149 -12.901 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.242 0.609 -11.891 1.00 0.00 H new ATOM 294 N ALA A 22 13.539 0.420 -9.643 1.00 0.00 N ATOM 295 CA ALA A 22 14.475 -0.675 -9.826 1.00 0.00 C ATOM 296 C ALA A 22 15.762 -0.375 -9.056 1.00 0.00 C ATOM 297 O ALA A 22 16.087 0.787 -8.812 1.00 0.00 O ATOM 298 CB ALA A 22 14.727 -0.888 -11.321 1.00 0.00 C ATOM 0 H ALA A 22 13.891 1.191 -9.075 1.00 0.00 H new ATOM 0 HA ALA A 22 14.062 -1.602 -9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 22 15.430 -1.710 -11.458 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.787 -1.128 -11.818 1.00 0.00 H new ATOM 0 HB3 ALA A 22 15.144 0.022 -11.753 1.00 0.00 H new ATOM 304 N PHE A 23 16.461 -1.441 -8.694 1.00 0.00 N ATOM 305 CA PHE A 23 17.705 -1.305 -7.956 1.00 0.00 C ATOM 306 C PHE A 23 18.572 -0.190 -8.543 1.00 0.00 C ATOM 307 O PHE A 23 19.086 -0.318 -9.653 1.00 0.00 O ATOM 308 CB PHE A 23 18.449 -2.636 -8.086 1.00 0.00 C ATOM 309 CG PHE A 23 17.684 -3.834 -7.520 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.404 -3.896 -6.191 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.285 -4.838 -8.347 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.694 -5.009 -5.666 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.576 -5.950 -7.822 1.00 0.00 C ATOM 314 CZ PHE A 23 16.295 -6.012 -6.493 1.00 0.00 C ATOM 0 H PHE A 23 16.189 -2.403 -8.898 1.00 0.00 H new ATOM 0 HA PHE A 23 17.495 -1.055 -6.916 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.663 -2.819 -9.139 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.408 -2.556 -7.575 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.721 -3.099 -5.534 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.508 -4.789 -9.403 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.471 -5.058 -4.610 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.260 -6.747 -8.478 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.755 -6.858 -6.094 1.00 0.00 H new ATOM 324 N GLY A 24 18.708 0.878 -7.772 1.00 0.00 N ATOM 325 CA GLY A 24 19.504 2.015 -8.201 1.00 0.00 C ATOM 326 C GLY A 24 18.660 3.001 -9.011 1.00 0.00 C ATOM 327 O GLY A 24 18.859 4.212 -8.925 1.00 0.00 O ATOM 0 H GLY A 24 18.280 0.980 -6.852 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.923 2.519 -7.330 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.344 1.669 -8.804 1.00 0.00 H new ATOM 331 N LYS A 25 17.735 2.446 -9.780 1.00 0.00 N ATOM 332 CA LYS A 25 16.859 3.261 -10.605 1.00 0.00 C ATOM 333 C LYS A 25 15.952 4.100 -9.703 1.00 0.00 C ATOM 334 O LYS A 25 15.231 3.560 -8.866 1.00 0.00 O ATOM 335 CB LYS A 25 16.096 2.387 -11.603 1.00 0.00 C ATOM 336 CG LYS A 25 16.078 3.029 -12.992 1.00 0.00 C ATOM 337 CD LYS A 25 14.654 3.416 -13.398 1.00 0.00 C ATOM 338 CE LYS A 25 14.219 4.710 -12.706 1.00 0.00 C ATOM 339 NZ LYS A 25 13.469 5.573 -13.646 1.00 0.00 N ATOM 0 H LYS A 25 17.573 1.441 -9.849 1.00 0.00 H new ATOM 0 HA LYS A 25 17.442 3.957 -11.208 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.561 1.403 -11.659 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.074 2.238 -11.254 1.00 0.00 H new ATOM 0 HG2 LYS A 25 16.714 3.914 -12.996 1.00 0.00 H new ATOM 0 HG3 LYS A 25 16.493 2.335 -13.723 1.00 0.00 H new ATOM 0 HD2 LYS A 25 14.602 3.542 -14.479 1.00 0.00 H new ATOM 0 HD3 LYS A 25 13.966 2.611 -13.138 1.00 0.00 H new ATOM 0 HE2 LYS A 25 13.597 4.476 -11.842 1.00 0.00 H new ATOM 0 HE3 LYS A 25 15.094 5.242 -12.334 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 13.255 6.482 -13.188 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 14.043 5.741 -14.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.581 5.103 -13.915 1.00 0.00 H new ATOM 353 N LYS A 26 16.017 5.408 -9.905 1.00 0.00 N ATOM 354 CA LYS A 26 15.211 6.327 -9.121 1.00 0.00 C ATOM 355 C LYS A 26 13.888 6.584 -9.845 1.00 0.00 C ATOM 356 O LYS A 26 13.862 6.726 -11.067 1.00 0.00 O ATOM 357 CB LYS A 26 15.999 7.602 -8.811 1.00 0.00 C ATOM 358 CG LYS A 26 16.217 8.433 -10.077 1.00 0.00 C ATOM 359 CD LYS A 26 17.693 8.441 -10.480 1.00 0.00 C ATOM 360 CE LYS A 26 17.845 8.471 -12.002 1.00 0.00 C ATOM 361 NZ LYS A 26 18.317 7.160 -12.502 1.00 0.00 N ATOM 0 H LYS A 26 16.616 5.853 -10.601 1.00 0.00 H new ATOM 0 HA LYS A 26 14.966 5.888 -8.154 1.00 0.00 H new ATOM 0 HB2 LYS A 26 15.462 8.195 -8.071 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.962 7.341 -8.373 1.00 0.00 H new ATOM 0 HG2 LYS A 26 15.616 8.027 -10.891 1.00 0.00 H new ATOM 0 HG3 LYS A 26 15.877 9.455 -9.909 1.00 0.00 H new ATOM 0 HD2 LYS A 26 18.188 9.309 -10.044 1.00 0.00 H new ATOM 0 HD3 LYS A 26 18.188 7.557 -10.079 1.00 0.00 H new ATOM 0 HE2 LYS A 26 16.890 8.720 -12.464 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.551 9.251 -12.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 18.415 7.198 -13.537 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.239 6.937 -12.075 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 17.630 6.423 -12.246 1.00 0.00 H new ATOM 375 N ALA A 27 12.821 6.635 -9.061 1.00 0.00 N ATOM 376 CA ALA A 27 11.497 6.872 -9.613 1.00 0.00 C ATOM 377 C ALA A 27 11.431 8.293 -10.176 1.00 0.00 C ATOM 378 O ALA A 27 11.729 9.258 -9.474 1.00 0.00 O ATOM 379 CB ALA A 27 10.442 6.624 -8.533 1.00 0.00 C ATOM 0 H ALA A 27 12.846 6.516 -8.048 1.00 0.00 H new ATOM 0 HA ALA A 27 11.294 6.183 -10.432 1.00 0.00 H new ATOM 0 HB1 ALA A 27 9.449 6.802 -8.947 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.512 5.593 -8.186 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.613 7.301 -7.696 1.00 0.00 H new ATOM 385 N ALA A 28 11.039 8.377 -11.439 1.00 0.00 N ATOM 386 CA ALA A 28 10.930 9.664 -12.105 1.00 0.00 C ATOM 387 C ALA A 28 10.327 10.684 -11.138 1.00 0.00 C ATOM 388 O ALA A 28 11.024 11.575 -10.655 1.00 0.00 O ATOM 389 CB ALA A 28 10.101 9.510 -13.382 1.00 0.00 C ATOM 0 H ALA A 28 10.793 7.575 -12.019 1.00 0.00 H new ATOM 0 HA ALA A 28 11.914 10.029 -12.398 1.00 0.00 H new ATOM 0 HB1 ALA A 28 10.019 10.475 -13.881 1.00 0.00 H new ATOM 0 HB2 ALA A 28 10.587 8.797 -14.048 1.00 0.00 H new ATOM 0 HB3 ALA A 28 9.105 9.148 -13.128 1.00 0.00 H new ATOM 395 N ASN A 29 9.037 10.520 -10.884 1.00 0.00 N ATOM 396 CA ASN A 29 8.332 11.416 -9.983 1.00 0.00 C ATOM 397 C ASN A 29 8.062 10.695 -8.660 1.00 0.00 C ATOM 398 O ASN A 29 7.421 9.645 -8.641 1.00 0.00 O ATOM 399 CB ASN A 29 6.985 11.841 -10.572 1.00 0.00 C ATOM 400 CG ASN A 29 7.082 13.226 -11.216 1.00 0.00 C ATOM 401 OD1 ASN A 29 7.587 14.174 -10.639 1.00 0.00 O ATOM 402 ND2 ASN A 29 6.570 13.288 -12.442 1.00 0.00 N ATOM 0 H ASN A 29 8.462 9.780 -11.286 1.00 0.00 H new ATOM 0 HA ASN A 29 8.954 12.298 -9.830 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.663 11.112 -11.315 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.228 11.853 -9.788 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.586 14.168 -12.957 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.162 12.455 -12.867 1.00 0.00 H new ATOM 409 N ARG A 30 8.567 11.286 -7.587 1.00 0.00 N ATOM 410 CA ARG A 30 8.389 10.713 -6.264 1.00 0.00 C ATOM 411 C ARG A 30 7.497 11.617 -5.410 1.00 0.00 C ATOM 412 O ARG A 30 7.951 12.181 -4.415 1.00 0.00 O ATOM 413 CB ARG A 30 9.734 10.523 -5.561 1.00 0.00 C ATOM 414 CG ARG A 30 10.667 9.640 -6.392 1.00 0.00 C ATOM 415 CD ARG A 30 12.128 10.056 -6.203 1.00 0.00 C ATOM 416 NE ARG A 30 12.349 11.402 -6.776 1.00 0.00 N ATOM 417 CZ ARG A 30 13.539 12.016 -6.815 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.623 11.409 -6.313 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.646 13.238 -7.354 1.00 0.00 N ATOM 0 H ARG A 30 9.099 12.156 -7.607 1.00 0.00 H new ATOM 0 HA ARG A 30 7.915 9.739 -6.385 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.201 11.494 -5.392 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.576 10.071 -4.582 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.541 8.597 -6.101 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.398 9.711 -7.446 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.380 10.057 -5.143 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.786 9.334 -6.686 1.00 0.00 H new ATOM 0 HE ARG A 30 11.545 11.893 -7.166 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.542 10.479 -5.901 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.529 11.877 -6.343 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.821 13.701 -7.735 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.552 13.705 -7.383 1.00 0.00 H new ATOM 433 N SER A 31 6.245 11.726 -5.829 1.00 0.00 N ATOM 434 CA SER A 31 5.286 12.551 -5.114 1.00 0.00 C ATOM 435 C SER A 31 4.298 11.666 -4.354 1.00 0.00 C ATOM 436 O SER A 31 4.195 10.470 -4.624 1.00 0.00 O ATOM 437 CB SER A 31 4.539 13.481 -6.072 1.00 0.00 C ATOM 438 OG SER A 31 5.430 14.274 -6.851 1.00 0.00 O ATOM 0 H SER A 31 5.872 11.257 -6.654 1.00 0.00 H new ATOM 0 HA SER A 31 5.831 13.170 -4.401 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.908 12.888 -6.734 1.00 0.00 H new ATOM 0 HB3 SER A 31 3.878 14.133 -5.502 1.00 0.00 H new ATOM 0 HG SER A 31 4.914 14.852 -7.451 1.00 0.00 H new ATOM 444 N TRP A 32 3.595 12.287 -3.418 1.00 0.00 N ATOM 445 CA TRP A 32 2.617 11.570 -2.617 1.00 0.00 C ATOM 446 C TRP A 32 1.256 11.701 -3.302 1.00 0.00 C ATOM 447 O TRP A 32 0.834 12.804 -3.647 1.00 0.00 O ATOM 448 CB TRP A 32 2.612 12.079 -1.174 1.00 0.00 C ATOM 449 CG TRP A 32 3.756 11.535 -0.317 1.00 0.00 C ATOM 450 CD1 TRP A 32 4.944 12.103 -0.070 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.772 10.283 0.401 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.722 11.312 0.751 1.00 0.00 N ATOM 453 CE2 TRP A 32 4.987 10.170 1.047 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.793 9.279 0.501 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.335 9.069 1.838 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.156 8.185 1.296 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.375 8.056 1.952 1.00 0.00 C ATOM 0 H TRP A 32 3.683 13.279 -3.196 1.00 0.00 H new ATOM 0 HA TRP A 32 2.873 10.512 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.665 13.168 -1.184 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.664 11.810 -0.708 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.254 13.060 -0.464 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.663 11.526 1.080 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.837 9.346 0.004 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.292 9.004 2.334 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.439 7.385 1.407 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.581 7.178 2.547 1.00 0.00 H new ATOM 468 N GLN A 33 0.606 10.560 -3.480 1.00 0.00 N ATOM 469 CA GLN A 33 -0.699 10.533 -4.118 1.00 0.00 C ATOM 470 C GLN A 33 -1.566 9.430 -3.507 1.00 0.00 C ATOM 471 O GLN A 33 -1.188 8.259 -3.522 1.00 0.00 O ATOM 472 CB GLN A 33 -0.565 10.351 -5.631 1.00 0.00 C ATOM 473 CG GLN A 33 -0.106 11.648 -6.301 1.00 0.00 C ATOM 474 CD GLN A 33 1.330 11.522 -6.813 1.00 0.00 C ATOM 475 OE1 GLN A 33 2.080 10.641 -6.425 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.670 12.448 -7.705 1.00 0.00 N ATOM 0 H GLN A 33 0.959 9.647 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.188 11.491 -3.942 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.149 9.555 -5.843 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.522 10.040 -6.050 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.772 11.889 -7.130 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -0.171 12.472 -5.590 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.994 13.158 -7.987 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.607 12.449 -8.108 1.00 0.00 H new ATOM 485 N ASN A 34 -2.711 9.843 -2.985 1.00 0.00 N ATOM 486 CA ASN A 34 -3.635 8.904 -2.371 1.00 0.00 C ATOM 487 C ASN A 34 -4.114 7.903 -3.424 1.00 0.00 C ATOM 488 O ASN A 34 -4.959 8.228 -4.256 1.00 0.00 O ATOM 489 CB ASN A 34 -4.863 9.626 -1.812 1.00 0.00 C ATOM 490 CG ASN A 34 -4.982 9.416 -0.301 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.244 8.658 0.306 1.00 0.00 O ATOM 492 ND2 ASN A 34 -5.949 10.128 0.269 1.00 0.00 N ATOM 0 H ASN A 34 -3.020 10.815 -2.974 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.112 8.399 -1.559 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.793 10.692 -2.030 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.762 9.258 -2.306 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.109 10.058 1.274 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -6.531 10.744 -0.299 1.00 0.00 H new ATOM 499 N VAL A 35 -3.552 6.705 -3.354 1.00 0.00 N ATOM 500 CA VAL A 35 -3.911 5.654 -4.291 1.00 0.00 C ATOM 501 C VAL A 35 -4.477 4.460 -3.520 1.00 0.00 C ATOM 502 O VAL A 35 -3.842 3.956 -2.595 1.00 0.00 O ATOM 503 CB VAL A 35 -2.703 5.288 -5.156 1.00 0.00 C ATOM 504 CG1 VAL A 35 -3.062 4.199 -6.168 1.00 0.00 C ATOM 505 CG2 VAL A 35 -2.137 6.524 -5.858 1.00 0.00 C ATOM 0 H VAL A 35 -2.851 6.439 -2.663 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.689 6.000 -4.972 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.929 4.892 -4.499 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.186 3.958 -6.770 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.396 3.306 -5.639 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.861 4.555 -6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.279 6.236 -6.466 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.904 6.963 -6.496 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.824 7.255 -5.112 1.00 0.00 H new ATOM 515 N TYR A 36 -5.666 4.042 -3.929 1.00 0.00 N ATOM 516 CA TYR A 36 -6.325 2.917 -3.288 1.00 0.00 C ATOM 517 C TYR A 36 -5.608 1.605 -3.611 1.00 0.00 C ATOM 518 O TYR A 36 -5.586 1.173 -4.762 1.00 0.00 O ATOM 519 CB TYR A 36 -7.739 2.869 -3.870 1.00 0.00 C ATOM 520 CG TYR A 36 -8.739 2.090 -3.013 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.294 2.677 -1.895 1.00 0.00 C ATOM 522 CD2 TYR A 36 -9.086 0.799 -3.359 1.00 0.00 C ATOM 523 CE1 TYR A 36 -10.235 1.944 -1.088 1.00 0.00 C ATOM 524 CE2 TYR A 36 -10.026 0.066 -2.553 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.555 0.674 -1.457 1.00 0.00 C ATOM 526 OH TYR A 36 -11.443 -0.018 -0.695 1.00 0.00 O ATOM 0 H TYR A 36 -6.190 4.462 -4.697 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.323 3.037 -2.205 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.103 3.888 -3.998 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.698 2.418 -4.862 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.023 3.687 -1.625 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.652 0.339 -4.235 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.677 2.392 -0.210 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.305 -0.944 -2.812 1.00 0.00 H new ATOM 0 HH TYR A 36 -10.959 -0.640 -0.112 1.00 0.00 H new ATOM 536 N CYS A 37 -5.039 1.008 -2.574 1.00 0.00 N ATOM 537 CA CYS A 37 -4.323 -0.247 -2.733 1.00 0.00 C ATOM 538 C CYS A 37 -5.349 -1.380 -2.800 1.00 0.00 C ATOM 539 O CYS A 37 -6.219 -1.486 -1.936 1.00 0.00 O ATOM 540 CB CYS A 37 -3.305 -0.463 -1.612 1.00 0.00 C ATOM 541 SG CYS A 37 -1.605 -0.341 -2.278 1.00 0.00 S ATOM 0 H CYS A 37 -5.059 1.370 -1.621 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.747 -0.226 -3.658 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.452 0.280 -0.828 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.456 -1.441 -1.156 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.995 0.668 -1.729 1.00 0.00 H new ATOM 547 N VAL A 38 -5.212 -2.199 -3.832 1.00 0.00 N ATOM 548 CA VAL A 38 -6.116 -3.321 -4.022 1.00 0.00 C ATOM 549 C VAL A 38 -5.301 -4.605 -4.183 1.00 0.00 C ATOM 550 O VAL A 38 -4.695 -4.834 -5.229 1.00 0.00 O ATOM 551 CB VAL A 38 -7.045 -3.050 -5.208 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.852 -4.298 -5.568 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.967 -1.863 -4.921 1.00 0.00 C ATOM 0 H VAL A 38 -4.489 -2.108 -4.546 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.755 -3.449 -3.148 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.426 -2.793 -6.068 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.504 -4.078 -6.414 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.172 -5.107 -5.835 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.456 -4.600 -4.713 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.617 -1.691 -5.779 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.575 -2.079 -4.043 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.367 -0.972 -4.737 1.00 0.00 H new ATOM 563 N LEU A 39 -5.312 -5.411 -3.131 1.00 0.00 N ATOM 564 CA LEU A 39 -4.582 -6.667 -3.142 1.00 0.00 C ATOM 565 C LEU A 39 -5.538 -7.805 -3.502 1.00 0.00 C ATOM 566 O LEU A 39 -6.661 -7.859 -3.002 1.00 0.00 O ATOM 567 CB LEU A 39 -3.851 -6.874 -1.814 1.00 0.00 C ATOM 568 CG LEU A 39 -2.933 -8.095 -1.736 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.463 -7.674 -1.689 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.311 -8.991 -0.555 1.00 0.00 C ATOM 0 H LEU A 39 -5.815 -5.218 -2.265 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.806 -6.649 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -3.257 -5.984 -1.607 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.595 -6.952 -1.021 1.00 0.00 H new ATOM 0 HG LEU A 39 -3.070 -8.684 -2.643 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.832 -8.561 -1.634 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -1.217 -7.109 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.291 -7.051 -0.811 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.643 -9.852 -0.523 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.221 -8.427 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.339 -9.334 -0.673 1.00 0.00 H new ATOM 582 N ARG A 40 -5.059 -8.688 -4.366 1.00 0.00 N ATOM 583 CA ARG A 40 -5.858 -9.822 -4.798 1.00 0.00 C ATOM 584 C ARG A 40 -5.012 -10.773 -5.648 1.00 0.00 C ATOM 585 O ARG A 40 -4.195 -10.331 -6.454 1.00 0.00 O ATOM 586 CB ARG A 40 -7.070 -9.364 -5.611 1.00 0.00 C ATOM 587 CG ARG A 40 -8.285 -10.251 -5.331 1.00 0.00 C ATOM 588 CD ARG A 40 -9.498 -9.409 -4.932 1.00 0.00 C ATOM 589 NE ARG A 40 -10.617 -10.291 -4.532 1.00 0.00 N ATOM 590 CZ ARG A 40 -11.874 -9.869 -4.337 1.00 0.00 C ATOM 591 NH1 ARG A 40 -12.179 -8.575 -4.502 1.00 0.00 N ATOM 592 NH2 ARG A 40 -12.825 -10.741 -3.975 1.00 0.00 N ATOM 0 H ARG A 40 -4.127 -8.641 -4.779 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.209 -10.340 -3.906 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -7.307 -8.329 -5.366 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -6.831 -9.393 -6.674 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -8.522 -10.840 -6.217 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -8.049 -10.956 -4.534 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -9.235 -8.745 -4.108 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -9.803 -8.777 -5.766 1.00 0.00 H new ATOM 0 HE ARG A 40 -10.419 -11.282 -4.396 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -11.455 -7.911 -4.776 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -13.136 -8.254 -4.354 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -12.592 -11.726 -3.848 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.782 -10.420 -3.827 1.00 0.00 H new ATOM 606 N ARG A 41 -5.238 -12.062 -5.438 1.00 0.00 N ATOM 607 CA ARG A 41 -4.508 -13.079 -6.175 1.00 0.00 C ATOM 608 C ARG A 41 -3.000 -12.871 -6.014 1.00 0.00 C ATOM 609 O ARG A 41 -2.218 -13.298 -6.862 1.00 0.00 O ATOM 610 CB ARG A 41 -4.865 -13.045 -7.662 1.00 0.00 C ATOM 611 CG ARG A 41 -5.214 -14.444 -8.174 1.00 0.00 C ATOM 612 CD ARG A 41 -5.592 -14.407 -9.657 1.00 0.00 C ATOM 613 NE ARG A 41 -6.680 -15.373 -9.926 1.00 0.00 N ATOM 614 CZ ARG A 41 -7.958 -15.183 -9.572 1.00 0.00 C ATOM 615 NH1 ARG A 41 -8.317 -14.062 -8.932 1.00 0.00 N ATOM 616 NH2 ARG A 41 -8.878 -16.115 -9.858 1.00 0.00 N ATOM 0 H ARG A 41 -5.916 -12.425 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.790 -14.050 -5.768 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.709 -12.374 -7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.027 -12.644 -8.232 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -4.364 -15.111 -8.028 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.042 -14.851 -7.594 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.910 -13.402 -9.935 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.722 -14.647 -10.269 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.442 -16.238 -10.411 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -7.617 -13.353 -8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -9.290 -13.918 -8.663 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.605 -16.969 -10.345 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -9.851 -15.971 -9.589 1.00 0.00 H new ATOM 630 N GLY A 42 -2.639 -12.216 -4.921 1.00 0.00 N ATOM 631 CA GLY A 42 -1.239 -11.947 -4.638 1.00 0.00 C ATOM 632 C GLY A 42 -0.700 -10.840 -5.547 1.00 0.00 C ATOM 633 O GLY A 42 0.460 -10.876 -5.953 1.00 0.00 O ATOM 0 H GLY A 42 -3.291 -11.863 -4.221 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.125 -11.654 -3.594 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.654 -12.856 -4.779 1.00 0.00 H new ATOM 637 N SER A 43 -1.568 -9.882 -5.838 1.00 0.00 N ATOM 638 CA SER A 43 -1.193 -8.767 -6.691 1.00 0.00 C ATOM 639 C SER A 43 -1.746 -7.461 -6.118 1.00 0.00 C ATOM 640 O SER A 43 -2.936 -7.364 -5.822 1.00 0.00 O ATOM 641 CB SER A 43 -1.695 -8.974 -8.121 1.00 0.00 C ATOM 642 OG SER A 43 -1.466 -10.303 -8.580 1.00 0.00 O ATOM 0 H SER A 43 -2.529 -9.855 -5.498 1.00 0.00 H new ATOM 0 HA SER A 43 -0.105 -8.711 -6.722 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.762 -8.754 -8.166 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.195 -8.270 -8.786 1.00 0.00 H new ATOM 0 HG SER A 43 -1.802 -10.395 -9.496 1.00 0.00 H new ATOM 648 N LEU A 44 -0.857 -6.489 -5.978 1.00 0.00 N ATOM 649 CA LEU A 44 -1.241 -5.193 -5.446 1.00 0.00 C ATOM 650 C LEU A 44 -1.602 -4.258 -6.602 1.00 0.00 C ATOM 651 O LEU A 44 -0.737 -3.873 -7.387 1.00 0.00 O ATOM 652 CB LEU A 44 -0.146 -4.643 -4.530 1.00 0.00 C ATOM 653 CG LEU A 44 -0.479 -3.347 -3.788 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.763 -3.499 -2.970 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.700 -2.890 -2.927 1.00 0.00 C ATOM 0 H LEU A 44 0.129 -6.573 -6.224 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.129 -5.287 -4.822 1.00 0.00 H new ATOM 0 HB2 LEU A 44 0.101 -5.407 -3.793 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.750 -4.476 -5.128 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.659 -2.566 -4.527 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.977 -2.564 -2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.591 -3.744 -3.635 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.636 -4.298 -2.239 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.437 -1.967 -2.410 1.00 0.00 H new ATOM 0 HD22 LEU A 44 0.936 -3.661 -2.194 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.568 -2.716 -3.562 1.00 0.00 H new ATOM 667 N GLY A 45 -2.882 -3.921 -6.670 1.00 0.00 N ATOM 668 CA GLY A 45 -3.368 -3.038 -7.717 1.00 0.00 C ATOM 669 C GLY A 45 -3.628 -1.632 -7.173 1.00 0.00 C ATOM 670 O GLY A 45 -3.985 -1.471 -6.007 1.00 0.00 O ATOM 0 H GLY A 45 -3.597 -4.243 -6.018 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.638 -2.990 -8.525 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.287 -3.443 -8.142 1.00 0.00 H new ATOM 674 N PHE A 46 -3.439 -0.651 -8.043 1.00 0.00 N ATOM 675 CA PHE A 46 -3.648 0.736 -7.664 1.00 0.00 C ATOM 676 C PHE A 46 -4.879 1.315 -8.363 1.00 0.00 C ATOM 677 O PHE A 46 -5.054 1.138 -9.568 1.00 0.00 O ATOM 678 CB PHE A 46 -2.409 1.514 -8.110 1.00 0.00 C ATOM 679 CG PHE A 46 -1.095 0.965 -7.551 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.902 0.901 -6.206 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.119 0.541 -8.398 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.317 0.392 -5.687 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.100 0.032 -7.879 1.00 0.00 C ATOM 684 CZ PHE A 46 1.293 -0.032 -6.534 1.00 0.00 C ATOM 0 H PHE A 46 -3.143 -0.789 -9.009 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.807 0.808 -6.588 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.360 1.506 -9.199 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.516 2.554 -7.803 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.677 1.238 -5.533 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.272 0.592 -9.466 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.470 0.341 -4.619 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.875 -0.305 -8.552 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.221 -0.419 -6.139 1.00 0.00 H new ATOM 694 N TYR A 47 -5.701 1.997 -7.579 1.00 0.00 N ATOM 695 CA TYR A 47 -6.910 2.604 -8.108 1.00 0.00 C ATOM 696 C TYR A 47 -7.166 3.969 -7.465 1.00 0.00 C ATOM 697 O TYR A 47 -6.743 4.216 -6.337 1.00 0.00 O ATOM 698 CB TYR A 47 -8.054 1.657 -7.737 1.00 0.00 C ATOM 699 CG TYR A 47 -7.923 0.257 -8.341 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.991 -0.627 -7.837 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.737 -0.121 -9.389 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.868 -1.945 -8.405 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.614 -1.438 -9.957 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.686 -2.285 -9.437 1.00 0.00 C ATOM 705 OH TYR A 47 -7.570 -3.530 -9.973 1.00 0.00 O ATOM 0 H TYR A 47 -5.553 2.143 -6.580 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.824 2.756 -9.184 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.103 1.570 -6.652 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.996 2.096 -8.064 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.354 -0.331 -7.017 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.466 0.571 -9.783 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.143 -2.647 -8.020 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.245 -1.746 -10.778 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.218 -3.634 -10.701 1.00 0.00 H new ATOM 715 N LYS A 48 -7.855 4.819 -8.211 1.00 0.00 N ATOM 716 CA LYS A 48 -8.172 6.152 -7.729 1.00 0.00 C ATOM 717 C LYS A 48 -8.665 6.063 -6.283 1.00 0.00 C ATOM 718 O LYS A 48 -8.010 6.562 -5.369 1.00 0.00 O ATOM 719 CB LYS A 48 -9.158 6.844 -8.673 1.00 0.00 C ATOM 720 CG LYS A 48 -9.528 8.235 -8.155 1.00 0.00 C ATOM 721 CD LYS A 48 -8.899 9.328 -9.022 1.00 0.00 C ATOM 722 CE LYS A 48 -9.660 10.647 -8.879 1.00 0.00 C ATOM 723 NZ LYS A 48 -9.506 11.469 -10.100 1.00 0.00 N ATOM 0 H LYS A 48 -8.203 4.610 -9.147 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.279 6.777 -7.725 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.718 6.927 -9.667 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.058 6.238 -8.773 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.612 8.349 -8.150 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.191 8.345 -7.124 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.858 9.472 -8.734 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.900 9.015 -10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -10.716 10.447 -8.699 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -9.288 11.196 -8.014 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.029 12.361 -9.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -8.499 11.675 -10.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -9.882 10.949 -10.918 1.00 0.00 H new ATOM 737 N ASP A 49 -9.814 5.424 -6.122 1.00 0.00 N ATOM 738 CA ASP A 49 -10.402 5.263 -4.803 1.00 0.00 C ATOM 739 C ASP A 49 -11.232 3.978 -4.772 1.00 0.00 C ATOM 740 O ASP A 49 -11.258 3.228 -5.747 1.00 0.00 O ATOM 741 CB ASP A 49 -11.328 6.433 -4.466 1.00 0.00 C ATOM 742 CG ASP A 49 -11.015 7.738 -5.201 1.00 0.00 C ATOM 743 OD1 ASP A 49 -9.990 8.358 -4.844 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.808 8.086 -6.102 1.00 0.00 O ATOM 0 H ASP A 49 -10.354 5.012 -6.883 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.591 5.224 -4.075 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.354 6.142 -4.694 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.280 6.617 -3.393 1.00 0.00 H new ATOM 749 N ALA A 50 -11.892 3.764 -3.644 1.00 0.00 N ATOM 750 CA ALA A 50 -12.722 2.583 -3.474 1.00 0.00 C ATOM 751 C ALA A 50 -13.862 2.615 -4.494 1.00 0.00 C ATOM 752 O ALA A 50 -14.539 1.611 -4.704 1.00 0.00 O ATOM 753 CB ALA A 50 -13.231 2.520 -2.032 1.00 0.00 C ATOM 0 H ALA A 50 -11.869 4.389 -2.838 1.00 0.00 H new ATOM 0 HA ALA A 50 -12.143 1.677 -3.655 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.854 1.634 -1.904 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.383 2.469 -1.349 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.819 3.411 -1.815 1.00 0.00 H new ATOM 759 N LYS A 51 -14.038 3.780 -5.100 1.00 0.00 N ATOM 760 CA LYS A 51 -15.084 3.956 -6.093 1.00 0.00 C ATOM 761 C LYS A 51 -14.587 3.445 -7.447 1.00 0.00 C ATOM 762 O LYS A 51 -15.386 3.160 -8.338 1.00 0.00 O ATOM 763 CB LYS A 51 -15.558 5.411 -6.120 1.00 0.00 C ATOM 764 CG LYS A 51 -16.435 5.724 -4.907 1.00 0.00 C ATOM 765 CD LYS A 51 -15.579 6.017 -3.673 1.00 0.00 C ATOM 766 CE LYS A 51 -16.450 6.167 -2.424 1.00 0.00 C ATOM 767 NZ LYS A 51 -15.613 6.463 -1.240 1.00 0.00 N ATOM 0 H LYS A 51 -13.474 4.611 -4.923 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.961 3.364 -5.831 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -14.696 6.078 -6.132 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.118 5.598 -7.036 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -17.071 6.582 -5.125 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.096 4.881 -4.704 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -14.860 5.211 -3.525 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -15.005 6.930 -3.832 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -17.175 6.967 -2.573 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -17.016 5.251 -2.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -16.220 6.562 -0.401 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -14.938 5.686 -1.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -15.092 7.349 -1.396 1.00 0.00 H new ATOM 781 N ALA A 52 -13.271 3.346 -7.559 1.00 0.00 N ATOM 782 CA ALA A 52 -12.658 2.875 -8.790 1.00 0.00 C ATOM 783 C ALA A 52 -12.333 1.386 -8.655 1.00 0.00 C ATOM 784 O ALA A 52 -12.282 0.666 -9.651 1.00 0.00 O ATOM 785 CB ALA A 52 -11.419 3.717 -9.098 1.00 0.00 C ATOM 0 H ALA A 52 -12.612 3.584 -6.818 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.345 2.988 -9.629 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -10.959 3.364 -10.021 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.708 4.762 -9.213 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.705 3.627 -8.279 1.00 0.00 H new ATOM 791 N ALA A 53 -12.121 0.969 -7.415 1.00 0.00 N ATOM 792 CA ALA A 53 -11.802 -0.421 -7.137 1.00 0.00 C ATOM 793 C ALA A 53 -13.022 -1.291 -7.446 1.00 0.00 C ATOM 794 O ALA A 53 -12.880 -2.448 -7.840 1.00 0.00 O ATOM 795 CB ALA A 53 -11.341 -0.558 -5.685 1.00 0.00 C ATOM 0 H ALA A 53 -12.164 1.570 -6.592 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.984 -0.762 -7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -11.102 -1.601 -5.476 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.455 0.057 -5.525 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -12.137 -0.228 -5.018 1.00 0.00 H new ATOM 801 N SER A 54 -14.193 -0.701 -7.256 1.00 0.00 N ATOM 802 CA SER A 54 -15.437 -1.408 -7.509 1.00 0.00 C ATOM 803 C SER A 54 -15.774 -1.358 -9.001 1.00 0.00 C ATOM 804 O SER A 54 -16.155 -2.368 -9.590 1.00 0.00 O ATOM 805 CB SER A 54 -16.584 -0.818 -6.686 1.00 0.00 C ATOM 806 OG SER A 54 -17.304 -1.822 -5.977 1.00 0.00 O ATOM 0 H SER A 54 -14.307 0.259 -6.930 1.00 0.00 H new ATOM 0 HA SER A 54 -15.306 -2.447 -7.207 1.00 0.00 H new ATOM 0 HB2 SER A 54 -16.186 -0.090 -5.979 1.00 0.00 H new ATOM 0 HB3 SER A 54 -17.265 -0.281 -7.346 1.00 0.00 H new ATOM 0 HG SER A 54 -18.026 -1.405 -5.463 1.00 0.00 H new ATOM 812 N ALA A 55 -15.620 -0.171 -9.570 1.00 0.00 N ATOM 813 CA ALA A 55 -15.903 0.025 -10.981 1.00 0.00 C ATOM 814 C ALA A 55 -14.796 -0.624 -11.814 1.00 0.00 C ATOM 815 O ALA A 55 -14.885 -0.677 -13.039 1.00 0.00 O ATOM 816 CB ALA A 55 -16.049 1.520 -11.270 1.00 0.00 C ATOM 0 H ALA A 55 -15.303 0.665 -9.079 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.844 -0.453 -11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.261 1.667 -12.329 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.867 1.927 -10.676 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.123 2.033 -11.011 1.00 0.00 H new ATOM 822 N GLY A 56 -13.777 -1.103 -11.114 1.00 0.00 N ATOM 823 CA GLY A 56 -12.653 -1.746 -11.773 1.00 0.00 C ATOM 824 C GLY A 56 -11.917 -0.764 -12.686 1.00 0.00 C ATOM 825 O GLY A 56 -11.386 -1.154 -13.725 1.00 0.00 O ATOM 0 H GLY A 56 -13.707 -1.058 -10.097 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.964 -2.138 -11.025 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -13.007 -2.596 -12.357 1.00 0.00 H new ATOM 829 N VAL A 57 -11.908 0.493 -12.265 1.00 0.00 N ATOM 830 CA VAL A 57 -11.246 1.534 -13.032 1.00 0.00 C ATOM 831 C VAL A 57 -9.848 1.774 -12.457 1.00 0.00 C ATOM 832 O VAL A 57 -9.707 2.141 -11.292 1.00 0.00 O ATOM 833 CB VAL A 57 -12.108 2.797 -13.053 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.384 3.944 -13.762 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.467 2.523 -13.701 1.00 0.00 C ATOM 0 H VAL A 57 -12.349 0.813 -11.403 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.122 1.224 -14.070 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.284 3.099 -12.021 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.019 4.830 -13.763 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.453 4.165 -13.239 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.163 3.655 -14.790 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.060 3.438 -13.703 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.319 2.184 -14.726 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.991 1.752 -13.136 1.00 0.00 H new ATOM 845 N PRO A 58 -8.824 1.550 -13.323 1.00 0.00 N ATOM 846 CA PRO A 58 -7.443 1.738 -12.914 1.00 0.00 C ATOM 847 C PRO A 58 -7.093 3.226 -12.830 1.00 0.00 C ATOM 848 O PRO A 58 -7.433 3.998 -13.724 1.00 0.00 O ATOM 849 CB PRO A 58 -6.620 0.993 -13.951 1.00 0.00 C ATOM 850 CG PRO A 58 -7.532 0.809 -15.153 1.00 0.00 C ATOM 851 CD PRO A 58 -8.953 1.115 -14.711 1.00 0.00 C ATOM 0 HA PRO A 58 -7.245 1.351 -11.915 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.728 1.558 -14.221 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.284 0.031 -13.565 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.233 1.473 -15.964 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.462 -0.210 -15.533 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.401 1.892 -15.330 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.591 0.235 -14.793 1.00 0.00 H new ATOM 859 N TYR A 59 -6.418 3.582 -11.747 1.00 0.00 N ATOM 860 CA TYR A 59 -6.019 4.963 -11.534 1.00 0.00 C ATOM 861 C TYR A 59 -5.429 5.565 -12.811 1.00 0.00 C ATOM 862 O TYR A 59 -6.000 6.490 -13.387 1.00 0.00 O ATOM 863 CB TYR A 59 -4.936 4.927 -10.454 1.00 0.00 C ATOM 864 CG TYR A 59 -4.504 6.310 -9.961 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.453 7.226 -9.555 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.165 6.640 -9.921 1.00 0.00 C ATOM 867 CE1 TYR A 59 -5.046 8.527 -9.091 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.758 7.941 -9.457 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.719 8.820 -9.065 1.00 0.00 C ATOM 870 OH TYR A 59 -3.334 10.049 -8.626 1.00 0.00 O ATOM 0 H TYR A 59 -6.137 2.938 -11.007 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.877 5.571 -11.246 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -5.302 4.348 -9.606 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -4.064 4.403 -10.845 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.501 6.967 -9.585 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.422 5.923 -10.238 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.778 9.253 -8.771 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.713 8.213 -9.421 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.357 10.118 -8.661 1.00 0.00 H new ATOM 880 N HIS A 60 -4.293 5.016 -13.216 1.00 0.00 N ATOM 881 CA HIS A 60 -3.619 5.488 -14.414 1.00 0.00 C ATOM 882 C HIS A 60 -3.396 4.317 -15.372 1.00 0.00 C ATOM 883 O HIS A 60 -2.316 4.176 -15.945 1.00 0.00 O ATOM 884 CB HIS A 60 -2.322 6.217 -14.056 1.00 0.00 C ATOM 885 CG HIS A 60 -2.529 7.622 -13.542 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.475 8.134 -12.703 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -1.704 8.677 -13.890 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.240 9.430 -12.546 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.142 9.769 -13.282 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.822 4.249 -12.736 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.247 6.217 -14.926 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.789 5.639 -13.300 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -1.683 6.254 -14.938 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.848 8.620 -14.546 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -3.822 10.105 -11.936 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -1.731 10.700 -13.352 1.00 0.00 H new ATOM 897 N GLY A 61 -4.434 3.506 -15.517 1.00 0.00 N ATOM 898 CA GLY A 61 -4.365 2.352 -16.396 1.00 0.00 C ATOM 899 C GLY A 61 -3.162 1.471 -16.051 1.00 0.00 C ATOM 900 O GLY A 61 -2.706 0.684 -16.879 1.00 0.00 O ATOM 0 H GLY A 61 -5.328 3.626 -15.040 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -5.283 1.770 -16.311 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -4.293 2.683 -17.432 1.00 0.00 H new ATOM 904 N GLU A 62 -2.683 1.632 -14.826 1.00 0.00 N ATOM 905 CA GLU A 62 -1.542 0.862 -14.361 1.00 0.00 C ATOM 906 C GLU A 62 -2.000 -0.501 -13.839 1.00 0.00 C ATOM 907 O GLU A 62 -2.980 -0.590 -13.100 1.00 0.00 O ATOM 908 CB GLU A 62 -0.764 1.627 -13.289 1.00 0.00 C ATOM 909 CG GLU A 62 0.355 2.462 -13.915 1.00 0.00 C ATOM 910 CD GLU A 62 1.600 2.465 -13.025 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.984 1.361 -12.583 1.00 0.00 O ATOM 912 OE2 GLU A 62 2.140 3.571 -12.808 1.00 0.00 O ATOM 0 H GLU A 62 -3.065 2.285 -14.141 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.870 0.700 -15.204 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -1.442 2.277 -12.737 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.340 0.925 -12.571 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.607 2.062 -14.897 1.00 0.00 H new ATOM 0 HG3 GLU A 62 0.009 3.485 -14.067 1.00 0.00 H new ATOM 919 N VAL A 63 -1.269 -1.530 -14.242 1.00 0.00 N ATOM 920 CA VAL A 63 -1.588 -2.884 -13.824 1.00 0.00 C ATOM 921 C VAL A 63 -1.104 -3.097 -12.388 1.00 0.00 C ATOM 922 O VAL A 63 -0.375 -2.268 -11.846 1.00 0.00 O ATOM 923 CB VAL A 63 -0.993 -3.891 -14.811 1.00 0.00 C ATOM 924 CG1 VAL A 63 -0.913 -3.296 -16.219 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.381 -4.373 -14.341 1.00 0.00 C ATOM 0 H VAL A 63 -0.457 -1.453 -14.854 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.667 -3.041 -13.831 1.00 0.00 H new ATOM 0 HB VAL A 63 -1.656 -4.755 -14.849 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -0.487 -4.032 -16.901 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -1.913 -3.025 -16.557 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -0.282 -2.407 -16.203 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.781 -5.088 -15.060 1.00 0.00 H new ATOM 0 HG22 VAL A 63 1.057 -3.522 -14.260 1.00 0.00 H new ATOM 0 HG23 VAL A 63 0.285 -4.853 -13.367 1.00 0.00 H new ATOM 935 N PRO A 64 -1.539 -4.243 -11.799 1.00 0.00 N ATOM 936 CA PRO A 64 -1.158 -4.576 -10.437 1.00 0.00 C ATOM 937 C PRO A 64 0.294 -5.055 -10.375 1.00 0.00 C ATOM 938 O PRO A 64 0.754 -5.768 -11.265 1.00 0.00 O ATOM 939 CB PRO A 64 -2.153 -5.637 -9.998 1.00 0.00 C ATOM 940 CG PRO A 64 -2.760 -6.194 -11.276 1.00 0.00 C ATOM 941 CD PRO A 64 -2.403 -5.248 -12.411 1.00 0.00 C ATOM 0 HA PRO A 64 -1.193 -3.716 -9.768 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.659 -6.422 -9.426 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.922 -5.209 -9.355 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.376 -7.194 -11.477 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.842 -6.282 -11.178 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.890 -5.773 -13.217 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.295 -4.793 -12.843 1.00 0.00 H new ATOM 949 N VAL A 65 0.974 -4.644 -9.315 1.00 0.00 N ATOM 950 CA VAL A 65 2.364 -5.022 -9.126 1.00 0.00 C ATOM 951 C VAL A 65 2.428 -6.405 -8.474 1.00 0.00 C ATOM 952 O VAL A 65 1.834 -6.625 -7.419 1.00 0.00 O ATOM 953 CB VAL A 65 3.094 -3.947 -8.319 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.211 -2.647 -9.117 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.402 -3.705 -6.976 1.00 0.00 C ATOM 0 H VAL A 65 0.588 -4.053 -8.578 1.00 0.00 H new ATOM 0 HA VAL A 65 2.875 -5.091 -10.087 1.00 0.00 H new ATOM 0 HB VAL A 65 4.102 -4.308 -8.116 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.734 -1.900 -8.520 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.768 -2.833 -10.035 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.215 -2.281 -9.365 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.941 -2.936 -6.422 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.377 -3.376 -7.149 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.394 -4.630 -6.399 1.00 0.00 H new ATOM 965 N SER A 66 3.152 -7.300 -9.129 1.00 0.00 N ATOM 966 CA SER A 66 3.300 -8.655 -8.626 1.00 0.00 C ATOM 967 C SER A 66 4.175 -8.655 -7.371 1.00 0.00 C ATOM 968 O SER A 66 5.307 -8.174 -7.399 1.00 0.00 O ATOM 969 CB SER A 66 3.900 -9.575 -9.692 1.00 0.00 C ATOM 970 OG SER A 66 2.914 -10.410 -10.293 1.00 0.00 O ATOM 0 H SER A 66 3.643 -7.114 -10.004 1.00 0.00 H new ATOM 0 HA SER A 66 2.311 -9.035 -8.371 1.00 0.00 H new ATOM 0 HB2 SER A 66 4.382 -8.972 -10.461 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.675 -10.195 -9.241 1.00 0.00 H new ATOM 0 HG SER A 66 3.336 -10.981 -10.969 1.00 0.00 H new ATOM 976 N LEU A 67 3.618 -9.200 -6.300 1.00 0.00 N ATOM 977 CA LEU A 67 4.334 -9.269 -5.037 1.00 0.00 C ATOM 978 C LEU A 67 5.167 -10.551 -4.997 1.00 0.00 C ATOM 979 O LEU A 67 5.170 -11.262 -3.993 1.00 0.00 O ATOM 980 CB LEU A 67 3.363 -9.129 -3.863 1.00 0.00 C ATOM 981 CG LEU A 67 2.380 -7.959 -3.941 1.00 0.00 C ATOM 982 CD1 LEU A 67 1.102 -8.264 -3.158 1.00 0.00 C ATOM 983 CD2 LEU A 67 3.039 -6.657 -3.480 1.00 0.00 C ATOM 0 H LEU A 67 2.679 -9.598 -6.280 1.00 0.00 H new ATOM 0 HA LEU A 67 5.029 -8.434 -4.947 1.00 0.00 H new ATOM 0 HB2 LEU A 67 2.791 -10.053 -3.778 1.00 0.00 H new ATOM 0 HB3 LEU A 67 3.944 -9.029 -2.946 1.00 0.00 H new ATOM 0 HG LEU A 67 2.093 -7.822 -4.984 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.420 -7.416 -3.230 1.00 0.00 H new ATOM 0 HD12 LEU A 67 0.623 -9.151 -3.574 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.350 -8.443 -2.112 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.319 -5.842 -3.545 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.373 -6.764 -2.448 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.895 -6.437 -4.118 1.00 0.00 H new ATOM 995 N ALA A 68 5.852 -10.809 -6.101 1.00 0.00 N ATOM 996 CA ALA A 68 6.687 -11.994 -6.205 1.00 0.00 C ATOM 997 C ALA A 68 8.050 -11.709 -5.572 1.00 0.00 C ATOM 998 O ALA A 68 8.763 -10.804 -6.005 1.00 0.00 O ATOM 999 CB ALA A 68 6.801 -12.411 -7.672 1.00 0.00 C ATOM 0 H ALA A 68 5.846 -10.217 -6.932 1.00 0.00 H new ATOM 0 HA ALA A 68 6.240 -12.827 -5.663 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.427 -13.300 -7.750 1.00 0.00 H new ATOM 0 HB2 ALA A 68 5.809 -12.631 -8.066 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.248 -11.600 -8.247 1.00 0.00 H new ATOM 1005 N ARG A 69 8.372 -12.497 -4.556 1.00 0.00 N ATOM 1006 CA ARG A 69 9.637 -12.340 -3.859 1.00 0.00 C ATOM 1007 C ARG A 69 9.761 -10.924 -3.295 1.00 0.00 C ATOM 1008 O ARG A 69 10.854 -10.485 -2.942 1.00 0.00 O ATOM 1009 CB ARG A 69 10.818 -12.615 -4.793 1.00 0.00 C ATOM 1010 CG ARG A 69 10.601 -13.904 -5.587 1.00 0.00 C ATOM 1011 CD ARG A 69 11.902 -14.700 -5.707 1.00 0.00 C ATOM 1012 NE ARG A 69 11.606 -16.149 -5.757 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.222 -16.800 -6.864 1.00 0.00 C ATOM 1014 NH1 ARG A 69 11.085 -16.134 -8.019 1.00 0.00 N ATOM 1015 NH2 ARG A 69 10.974 -18.116 -6.815 1.00 0.00 N ATOM 0 H ARG A 69 7.778 -13.246 -4.199 1.00 0.00 H new ATOM 0 HA ARG A 69 9.657 -13.062 -3.043 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.946 -11.778 -5.480 1.00 0.00 H new ATOM 0 HB3 ARG A 69 11.736 -12.693 -4.211 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.842 -14.513 -5.097 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.224 -13.664 -6.581 1.00 0.00 H new ATOM 0 HD2 ARG A 69 12.440 -14.399 -6.606 1.00 0.00 H new ATOM 0 HD3 ARG A 69 12.551 -14.482 -4.859 1.00 0.00 H new ATOM 0 HE ARG A 69 11.700 -16.686 -4.895 1.00 0.00 H new ATOM 0 HH11 ARG A 69 11.273 -15.132 -8.055 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.793 -16.629 -8.862 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.077 -18.622 -5.935 1.00 0.00 H new ATOM 0 HH22 ARG A 69 10.682 -18.612 -7.657 1.00 0.00 H new ATOM 1029 N ALA A 70 8.624 -10.247 -3.227 1.00 0.00 N ATOM 1030 CA ALA A 70 8.591 -8.889 -2.711 1.00 0.00 C ATOM 1031 C ALA A 70 8.597 -8.928 -1.182 1.00 0.00 C ATOM 1032 O ALA A 70 8.187 -9.920 -0.581 1.00 0.00 O ATOM 1033 CB ALA A 70 7.367 -8.160 -3.270 1.00 0.00 C ATOM 0 H ALA A 70 7.719 -10.614 -3.521 1.00 0.00 H new ATOM 0 HA ALA A 70 9.475 -8.336 -3.030 1.00 0.00 H new ATOM 0 HB1 ALA A 70 7.342 -7.141 -2.883 1.00 0.00 H new ATOM 0 HB2 ALA A 70 7.425 -8.134 -4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.461 -8.685 -2.968 1.00 0.00 H new ATOM 1039 N GLN A 71 9.068 -7.837 -0.596 1.00 0.00 N ATOM 1040 CA GLN A 71 9.134 -7.735 0.852 1.00 0.00 C ATOM 1041 C GLN A 71 8.413 -6.472 1.328 1.00 0.00 C ATOM 1042 O GLN A 71 8.488 -5.429 0.680 1.00 0.00 O ATOM 1043 CB GLN A 71 10.584 -7.755 1.338 1.00 0.00 C ATOM 1044 CG GLN A 71 11.021 -9.176 1.702 1.00 0.00 C ATOM 1045 CD GLN A 71 12.500 -9.212 2.091 1.00 0.00 C ATOM 1046 OE1 GLN A 71 13.210 -8.222 2.026 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.924 -10.405 2.498 1.00 0.00 N ATOM 0 H GLN A 71 9.407 -7.016 -1.097 1.00 0.00 H new ATOM 0 HA GLN A 71 8.630 -8.601 1.281 1.00 0.00 H new ATOM 0 HB2 GLN A 71 11.237 -7.358 0.561 1.00 0.00 H new ATOM 0 HB3 GLN A 71 10.689 -7.105 2.206 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.415 -9.546 2.529 1.00 0.00 H new ATOM 0 HG3 GLN A 71 10.847 -9.842 0.856 1.00 0.00 H new ATOM 0 HE21 GLN A 71 12.277 -11.193 2.529 1.00 0.00 H new ATOM 0 HE22 GLN A 71 13.896 -10.532 2.779 1.00 0.00 H new ATOM 1056 N GLY A 72 7.732 -6.607 2.456 1.00 0.00 N ATOM 1057 CA GLY A 72 6.999 -5.489 3.026 1.00 0.00 C ATOM 1058 C GLY A 72 7.387 -5.268 4.490 1.00 0.00 C ATOM 1059 O GLY A 72 7.284 -6.181 5.308 1.00 0.00 O ATOM 0 H GLY A 72 7.672 -7.473 2.991 1.00 0.00 H new ATOM 0 HA2 GLY A 72 7.203 -4.585 2.452 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.928 -5.677 2.954 1.00 0.00 H new ATOM 1063 N SER A 73 7.826 -4.051 4.775 1.00 0.00 N ATOM 1064 CA SER A 73 8.230 -3.698 6.125 1.00 0.00 C ATOM 1065 C SER A 73 7.677 -2.320 6.494 1.00 0.00 C ATOM 1066 O SER A 73 7.309 -1.540 5.617 1.00 0.00 O ATOM 1067 CB SER A 73 9.754 -3.714 6.266 1.00 0.00 C ATOM 1068 OG SER A 73 10.165 -3.627 7.628 1.00 0.00 O ATOM 0 H SER A 73 7.911 -3.297 4.094 1.00 0.00 H new ATOM 0 HA SER A 73 7.821 -4.441 6.809 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.149 -4.629 5.826 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.179 -2.881 5.705 1.00 0.00 H new ATOM 0 HG SER A 73 11.144 -3.642 7.676 1.00 0.00 H new ATOM 1074 N VAL A 74 7.636 -2.062 7.793 1.00 0.00 N ATOM 1075 CA VAL A 74 7.135 -0.792 8.289 1.00 0.00 C ATOM 1076 C VAL A 74 8.132 0.315 7.943 1.00 0.00 C ATOM 1077 O VAL A 74 9.313 0.047 7.730 1.00 0.00 O ATOM 1078 CB VAL A 74 6.849 -0.892 9.788 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.517 0.482 10.376 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.726 -1.893 10.067 1.00 0.00 C ATOM 0 H VAL A 74 7.942 -2.712 8.517 1.00 0.00 H new ATOM 0 HA VAL A 74 6.190 -0.540 7.808 1.00 0.00 H new ATOM 0 HB VAL A 74 7.752 -1.257 10.277 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.318 0.383 11.443 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.361 1.156 10.226 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.636 0.887 9.879 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.543 -1.945 11.140 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.817 -1.571 9.559 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.017 -2.878 9.701 1.00 0.00 H new ATOM 1090 N ALA A 75 7.619 1.536 7.897 1.00 0.00 N ATOM 1091 CA ALA A 75 8.450 2.685 7.580 1.00 0.00 C ATOM 1092 C ALA A 75 8.783 3.439 8.869 1.00 0.00 C ATOM 1093 O ALA A 75 8.346 4.573 9.061 1.00 0.00 O ATOM 1094 CB ALA A 75 7.732 3.568 6.558 1.00 0.00 C ATOM 0 H ALA A 75 6.638 1.754 8.074 1.00 0.00 H new ATOM 0 HA ALA A 75 9.391 2.366 7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.355 4.430 6.320 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.544 2.995 5.650 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.784 3.909 6.974 1.00 0.00 H new ATOM 1223 N LYS A 82 2.471 8.784 10.259 1.00 0.00 N ATOM 1224 CA LYS A 82 2.376 7.648 11.159 1.00 0.00 C ATOM 1225 C LYS A 82 1.713 6.478 10.429 1.00 0.00 C ATOM 1226 O LYS A 82 1.018 6.677 9.434 1.00 0.00 O ATOM 1227 CB LYS A 82 1.665 8.048 12.454 1.00 0.00 C ATOM 1228 CG LYS A 82 2.592 8.861 13.360 1.00 0.00 C ATOM 1229 CD LYS A 82 1.788 9.713 14.344 1.00 0.00 C ATOM 1230 CE LYS A 82 2.693 10.295 15.432 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.386 11.726 15.650 1.00 0.00 N ATOM 0 HA LYS A 82 3.370 7.315 11.458 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.776 8.633 12.219 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.329 7.154 12.980 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.251 8.189 13.910 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.228 9.504 12.752 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.291 10.522 13.808 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.007 9.106 14.802 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.556 9.742 16.361 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.738 10.181 15.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 3.009 12.106 16.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.539 12.252 14.766 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.394 11.827 15.946 1.00 0.00 H new ATOM 1245 N HIS A 83 1.949 5.284 10.953 1.00 0.00 N ATOM 1246 CA HIS A 83 1.383 4.083 10.363 1.00 0.00 C ATOM 1247 C HIS A 83 1.718 4.037 8.871 1.00 0.00 C ATOM 1248 O HIS A 83 0.827 4.140 8.028 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.120 4.000 10.637 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.626 5.042 11.606 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -0.471 4.929 12.977 1.00 0.00 N ATOM 1252 CD2 HIS A 83 -1.285 6.216 11.388 1.00 0.00 C ATOM 1253 CE1 HIS A 83 -1.016 5.992 13.548 1.00 0.00 C ATOM 1254 NE2 HIS A 83 -1.521 6.789 12.562 1.00 0.00 N ATOM 0 H HIS A 83 2.524 5.123 11.780 1.00 0.00 H new ATOM 0 HA HIS A 83 1.827 3.202 10.826 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.657 4.104 9.694 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.353 3.010 11.029 1.00 0.00 H new ATOM 0 HD2 HIS A 83 -1.567 6.612 10.424 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.054 6.193 14.608 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -2.001 7.678 12.704 1.00 0.00 H new ATOM 1262 N VAL A 84 3.003 3.883 8.590 1.00 0.00 N ATOM 1263 CA VAL A 84 3.466 3.823 7.214 1.00 0.00 C ATOM 1264 C VAL A 84 4.441 2.654 7.059 1.00 0.00 C ATOM 1265 O VAL A 84 5.286 2.427 7.924 1.00 0.00 O ATOM 1266 CB VAL A 84 4.075 5.166 6.807 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.615 5.112 5.376 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.059 6.299 6.967 1.00 0.00 C ATOM 0 H VAL A 84 3.738 3.798 9.292 1.00 0.00 H new ATOM 0 HA VAL A 84 2.630 3.642 6.538 1.00 0.00 H new ATOM 0 HB VAL A 84 4.913 5.370 7.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.042 6.079 5.112 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.385 4.344 5.306 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.803 4.874 4.689 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.517 7.243 6.671 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.192 6.102 6.336 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.743 6.360 8.008 1.00 0.00 H new ATOM 1278 N PHE A 85 4.290 1.942 5.952 1.00 0.00 N ATOM 1279 CA PHE A 85 5.147 0.802 5.673 1.00 0.00 C ATOM 1280 C PHE A 85 5.715 0.877 4.254 1.00 0.00 C ATOM 1281 O PHE A 85 5.039 1.333 3.334 1.00 0.00 O ATOM 1282 CB PHE A 85 4.277 -0.451 5.795 1.00 0.00 C ATOM 1283 CG PHE A 85 3.044 -0.444 4.890 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.030 0.431 5.128 1.00 0.00 C ATOM 1285 CD2 PHE A 85 2.962 -1.312 3.846 1.00 0.00 C ATOM 1286 CE1 PHE A 85 0.886 0.437 4.288 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.817 -1.305 3.005 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.804 -0.431 3.244 1.00 0.00 C ATOM 0 H PHE A 85 3.587 2.132 5.238 1.00 0.00 H new ATOM 0 HA PHE A 85 5.984 0.786 6.371 1.00 0.00 H new ATOM 0 HB2 PHE A 85 4.883 -1.326 5.559 1.00 0.00 H new ATOM 0 HB3 PHE A 85 3.954 -0.557 6.831 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.095 1.121 5.956 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.767 -2.006 3.656 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.080 1.131 4.478 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.752 -1.994 2.176 1.00 0.00 H new ATOM 0 HZ PHE A 85 -0.066 -0.426 2.605 1.00 0.00 H new ATOM 1298 N LYS A 86 6.953 0.422 4.122 1.00 0.00 N ATOM 1299 CA LYS A 86 7.620 0.432 2.832 1.00 0.00 C ATOM 1300 C LYS A 86 7.486 -0.947 2.182 1.00 0.00 C ATOM 1301 O LYS A 86 7.792 -1.962 2.806 1.00 0.00 O ATOM 1302 CB LYS A 86 9.067 0.904 2.980 1.00 0.00 C ATOM 1303 CG LYS A 86 9.756 0.999 1.617 1.00 0.00 C ATOM 1304 CD LYS A 86 11.191 1.510 1.762 1.00 0.00 C ATOM 1305 CE LYS A 86 11.216 3.028 1.945 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.045 3.663 0.896 1.00 0.00 N ATOM 0 H LYS A 86 7.511 0.044 4.888 1.00 0.00 H new ATOM 0 HA LYS A 86 7.143 1.148 2.163 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.087 1.877 3.470 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.615 0.213 3.621 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.762 0.019 1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.192 1.668 0.966 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.667 1.029 2.616 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.769 1.237 0.879 1.00 0.00 H new ATOM 0 HE2 LYS A 86 10.201 3.422 1.903 1.00 0.00 H new ATOM 0 HE3 LYS A 86 11.613 3.275 2.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.051 4.694 1.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 13.018 3.300 0.955 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 11.649 3.442 -0.040 1.00 0.00 H new ATOM 1320 N LEU A 87 7.030 -0.939 0.939 1.00 0.00 N ATOM 1321 CA LEU A 87 6.852 -2.176 0.199 1.00 0.00 C ATOM 1322 C LEU A 87 7.941 -2.287 -0.871 1.00 0.00 C ATOM 1323 O LEU A 87 7.850 -1.654 -1.922 1.00 0.00 O ATOM 1324 CB LEU A 87 5.430 -2.267 -0.360 1.00 0.00 C ATOM 1325 CG LEU A 87 5.128 -3.489 -1.230 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.272 -4.783 -0.427 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.750 -3.370 -1.883 1.00 0.00 C ATOM 0 H LEU A 87 6.778 -0.095 0.425 1.00 0.00 H new ATOM 0 HA LEU A 87 6.965 -3.035 0.861 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.731 -2.260 0.476 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.234 -1.370 -0.947 1.00 0.00 H new ATOM 0 HG LEU A 87 5.863 -3.526 -2.034 1.00 0.00 H new ATOM 0 HD11 LEU A 87 5.052 -5.636 -1.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.291 -4.866 -0.050 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.575 -4.770 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.560 -4.251 -2.496 1.00 0.00 H new ATOM 0 HD22 LEU A 87 2.986 -3.295 -1.109 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.720 -2.479 -2.510 1.00 0.00 H new ATOM 1339 N GLY A 88 8.945 -3.095 -0.565 1.00 0.00 N ATOM 1340 CA GLY A 88 10.050 -3.296 -1.487 1.00 0.00 C ATOM 1341 C GLY A 88 9.809 -4.520 -2.373 1.00 0.00 C ATOM 1342 O GLY A 88 9.767 -5.648 -1.882 1.00 0.00 O ATOM 0 H GLY A 88 9.017 -3.618 0.308 1.00 0.00 H new ATOM 0 HA2 GLY A 88 10.174 -2.410 -2.110 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.977 -3.424 -0.927 1.00 0.00 H new ATOM 1346 N LEU A 89 9.658 -4.257 -3.662 1.00 0.00 N ATOM 1347 CA LEU A 89 9.422 -5.323 -4.621 1.00 0.00 C ATOM 1348 C LEU A 89 10.729 -6.080 -4.867 1.00 0.00 C ATOM 1349 O LEU A 89 11.777 -5.703 -4.345 1.00 0.00 O ATOM 1350 CB LEU A 89 8.785 -4.767 -5.896 1.00 0.00 C ATOM 1351 CG LEU A 89 7.389 -4.159 -5.737 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.600 -4.250 -7.045 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.640 -4.804 -4.570 1.00 0.00 C ATOM 0 H LEU A 89 9.694 -3.321 -4.065 1.00 0.00 H new ATOM 0 HA LEU A 89 8.706 -6.042 -4.222 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.447 -4.005 -6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.729 -5.570 -6.631 1.00 0.00 H new ATOM 0 HG LEU A 89 7.502 -3.101 -5.501 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.612 -3.811 -6.905 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.130 -3.708 -7.828 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.495 -5.296 -7.335 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.651 -4.354 -4.479 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.536 -5.874 -4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.198 -4.644 -3.647 1.00 0.00 H new ATOM 1365 N GLN A 90 10.624 -7.135 -5.662 1.00 0.00 N ATOM 1366 CA GLN A 90 11.784 -7.948 -5.983 1.00 0.00 C ATOM 1367 C GLN A 90 12.565 -7.325 -7.143 1.00 0.00 C ATOM 1368 O GLN A 90 13.712 -7.692 -7.392 1.00 0.00 O ATOM 1369 CB GLN A 90 11.374 -9.386 -6.309 1.00 0.00 C ATOM 1370 CG GLN A 90 10.573 -9.445 -7.611 1.00 0.00 C ATOM 1371 CD GLN A 90 10.747 -10.800 -8.301 1.00 0.00 C ATOM 1372 OE1 GLN A 90 10.942 -11.826 -7.670 1.00 0.00 O ATOM 1373 NE2 GLN A 90 10.667 -10.746 -9.627 1.00 0.00 N ATOM 0 H GLN A 90 9.753 -7.445 -6.093 1.00 0.00 H new ATOM 0 HA GLN A 90 12.433 -7.980 -5.108 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.263 -10.011 -6.396 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.778 -9.792 -5.492 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.517 -9.273 -7.401 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.899 -8.648 -8.279 1.00 0.00 H new ATOM 0 HE21 GLN A 90 10.502 -9.853 -10.092 1.00 0.00 H new ATOM 0 HE22 GLN A 90 10.771 -11.597 -10.179 1.00 0.00 H new ATOM 1382 N ASP A 91 11.911 -6.393 -7.821 1.00 0.00 N ATOM 1383 CA ASP A 91 12.529 -5.715 -8.947 1.00 0.00 C ATOM 1384 C ASP A 91 12.948 -4.307 -8.522 1.00 0.00 C ATOM 1385 O ASP A 91 12.740 -3.344 -9.259 1.00 0.00 O ATOM 1386 CB ASP A 91 11.550 -5.585 -10.116 1.00 0.00 C ATOM 1387 CG ASP A 91 11.383 -6.847 -10.964 1.00 0.00 C ATOM 1388 OD1 ASP A 91 11.924 -7.891 -10.540 1.00 0.00 O ATOM 1389 OD2 ASP A 91 10.718 -6.740 -12.017 1.00 0.00 O ATOM 0 H ASP A 91 10.959 -6.092 -7.612 1.00 0.00 H new ATOM 0 HA ASP A 91 13.391 -6.302 -9.262 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.575 -5.298 -9.723 1.00 0.00 H new ATOM 0 HB3 ASP A 91 11.885 -4.773 -10.762 1.00 0.00 H new ATOM 1394 N GLY A 92 13.532 -4.231 -7.335 1.00 0.00 N ATOM 1395 CA GLY A 92 13.982 -2.956 -6.803 1.00 0.00 C ATOM 1396 C GLY A 92 12.874 -1.904 -6.887 1.00 0.00 C ATOM 1397 O GLY A 92 13.144 -0.732 -7.145 1.00 0.00 O ATOM 0 H GLY A 92 13.704 -5.032 -6.727 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.292 -3.080 -5.766 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.855 -2.614 -7.358 1.00 0.00 H new ATOM 1401 N LYS A 93 11.651 -2.361 -6.664 1.00 0.00 N ATOM 1402 CA LYS A 93 10.500 -1.474 -6.711 1.00 0.00 C ATOM 1403 C LYS A 93 9.996 -1.225 -5.288 1.00 0.00 C ATOM 1404 O LYS A 93 9.261 -2.041 -4.734 1.00 0.00 O ATOM 1405 CB LYS A 93 9.432 -2.032 -7.653 1.00 0.00 C ATOM 1406 CG LYS A 93 9.198 -1.091 -8.836 1.00 0.00 C ATOM 1407 CD LYS A 93 7.831 -1.342 -9.476 1.00 0.00 C ATOM 1408 CE LYS A 93 7.877 -1.093 -10.984 1.00 0.00 C ATOM 1409 NZ LYS A 93 7.180 0.169 -11.322 1.00 0.00 N ATOM 0 H LYS A 93 11.431 -3.334 -6.450 1.00 0.00 H new ATOM 0 HA LYS A 93 10.781 -0.505 -7.124 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.740 -3.012 -8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.499 -2.175 -7.107 1.00 0.00 H new ATOM 0 HG2 LYS A 93 9.261 -0.056 -8.500 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.983 -1.233 -9.579 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.518 -2.368 -9.283 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.086 -0.690 -9.019 1.00 0.00 H new ATOM 0 HE2 LYS A 93 8.913 -1.044 -11.319 1.00 0.00 H new ATOM 0 HE3 LYS A 93 7.410 -1.926 -11.511 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 7.656 0.623 -12.128 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 6.192 -0.037 -11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.202 0.808 -10.502 1.00 0.00 H new ATOM 1423 N GLU A 94 10.410 -0.093 -4.738 1.00 0.00 N ATOM 1424 CA GLU A 94 10.010 0.274 -3.390 1.00 0.00 C ATOM 1425 C GLU A 94 8.843 1.263 -3.435 1.00 0.00 C ATOM 1426 O GLU A 94 8.831 2.178 -4.256 1.00 0.00 O ATOM 1427 CB GLU A 94 11.189 0.853 -2.606 1.00 0.00 C ATOM 1428 CG GLU A 94 12.115 -0.259 -2.108 1.00 0.00 C ATOM 1429 CD GLU A 94 13.562 0.003 -2.529 1.00 0.00 C ATOM 1430 OE1 GLU A 94 13.937 1.195 -2.560 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.260 -0.995 -2.810 1.00 0.00 O ATOM 0 H GLU A 94 11.018 0.582 -5.201 1.00 0.00 H new ATOM 0 HA GLU A 94 9.680 -0.626 -2.872 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.749 1.541 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.819 1.430 -1.758 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.055 -0.328 -1.022 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.784 -1.218 -2.507 1.00 0.00 H new ATOM 1438 N TYR A 95 7.890 1.045 -2.540 1.00 0.00 N ATOM 1439 CA TYR A 95 6.721 1.905 -2.467 1.00 0.00 C ATOM 1440 C TYR A 95 6.411 2.286 -1.018 1.00 0.00 C ATOM 1441 O TYR A 95 6.716 1.532 -0.095 1.00 0.00 O ATOM 1442 CB TYR A 95 5.557 1.084 -3.026 1.00 0.00 C ATOM 1443 CG TYR A 95 5.538 0.991 -4.553 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.147 2.080 -5.306 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.913 -0.181 -5.178 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.130 1.993 -6.743 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.895 -0.268 -6.615 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.504 0.823 -7.327 1.00 0.00 C ATOM 1449 OH TYR A 95 5.487 0.741 -8.684 1.00 0.00 O ATOM 0 H TYR A 95 7.904 0.285 -1.860 1.00 0.00 H new ATOM 0 HA TYR A 95 6.888 2.827 -3.024 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.604 0.077 -2.611 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.619 1.525 -2.687 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.854 2.997 -4.817 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.220 -1.033 -4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.827 2.838 -7.344 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.186 -1.179 -7.116 1.00 0.00 H new ATOM 0 HH TYR A 95 5.664 1.625 -9.067 1.00 0.00 H new ATOM 1459 N LEU A 96 5.809 3.456 -0.863 1.00 0.00 N ATOM 1460 CA LEU A 96 5.454 3.946 0.458 1.00 0.00 C ATOM 1461 C LEU A 96 3.932 4.062 0.562 1.00 0.00 C ATOM 1462 O LEU A 96 3.299 4.729 -0.256 1.00 0.00 O ATOM 1463 CB LEU A 96 6.192 5.251 0.761 1.00 0.00 C ATOM 1464 CG LEU A 96 7.631 5.107 1.263 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.217 6.468 1.645 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.711 4.105 2.416 1.00 0.00 C ATOM 0 H LEU A 96 5.558 4.079 -1.631 1.00 0.00 H new ATOM 0 HA LEU A 96 5.774 3.240 1.225 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.203 5.858 -0.144 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.621 5.803 1.508 1.00 0.00 H new ATOM 0 HG LEU A 96 8.239 4.711 0.449 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.240 6.338 1.998 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.215 7.123 0.773 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.614 6.915 2.436 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.744 4.021 2.754 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.086 4.448 3.240 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.360 3.131 2.076 1.00 0.00 H new ATOM 1478 N PHE A 97 3.388 3.403 1.575 1.00 0.00 N ATOM 1479 CA PHE A 97 1.952 3.424 1.796 1.00 0.00 C ATOM 1480 C PHE A 97 1.625 3.838 3.233 1.00 0.00 C ATOM 1481 O PHE A 97 2.140 3.252 4.184 1.00 0.00 O ATOM 1482 CB PHE A 97 1.442 2.002 1.559 1.00 0.00 C ATOM 1483 CG PHE A 97 1.629 1.504 0.124 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.734 1.853 -0.838 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.691 0.713 -0.188 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.908 1.392 -2.170 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.864 0.252 -1.520 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.969 0.601 -2.483 1.00 0.00 C ATOM 0 H PHE A 97 3.916 2.851 2.251 1.00 0.00 H new ATOM 0 HA PHE A 97 1.482 4.142 1.123 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.959 1.324 2.238 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.383 1.960 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.109 2.481 -0.589 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.402 0.436 0.577 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.198 1.670 -2.935 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.707 -0.376 -1.769 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.101 0.250 -3.496 1.00 0.00 H new ATOM 1498 N GLN A 98 0.771 4.845 3.345 1.00 0.00 N ATOM 1499 CA GLN A 98 0.370 5.344 4.649 1.00 0.00 C ATOM 1500 C GLN A 98 -1.041 4.859 4.991 1.00 0.00 C ATOM 1501 O GLN A 98 -2.013 5.272 4.361 1.00 0.00 O ATOM 1502 CB GLN A 98 0.453 6.870 4.701 1.00 0.00 C ATOM 1503 CG GLN A 98 0.004 7.397 6.066 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.423 8.864 5.974 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -0.438 9.467 4.913 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.767 9.402 7.140 1.00 0.00 N ATOM 0 H GLN A 98 0.346 5.329 2.554 1.00 0.00 H new ATOM 0 HA GLN A 98 1.060 4.950 5.396 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.476 7.189 4.502 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.172 7.299 3.918 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.826 6.796 6.437 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.817 7.296 6.784 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.732 8.841 7.991 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.066 10.376 7.184 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.108 3.990 5.989 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.383 3.445 6.422 1.00 0.00 C ATOM 1517 C ALA A 99 -3.090 4.464 7.318 1.00 0.00 C ATOM 1518 O ALA A 99 -2.552 5.537 7.590 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.153 2.108 7.130 1.00 0.00 C ATOM 0 H ALA A 99 -0.300 3.650 6.510 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.029 3.254 5.565 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.110 1.699 7.455 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.675 1.410 6.443 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.511 2.261 7.997 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.286 4.094 7.752 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.072 4.962 8.611 1.00 0.00 C ATOM 1527 C LYS A 100 -4.536 4.878 10.042 1.00 0.00 C ATOM 1528 O LYS A 100 -4.487 5.883 10.750 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.561 4.629 8.492 1.00 0.00 C ATOM 1530 CG LYS A 100 -6.954 3.517 9.466 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.467 3.291 9.459 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.840 2.102 8.571 1.00 0.00 C ATOM 1533 NZ LYS A 100 -8.526 0.827 9.253 1.00 0.00 N ATOM 0 H LYS A 100 -4.730 3.204 7.524 1.00 0.00 H new ATOM 0 HA LYS A 100 -4.975 6.000 8.294 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.154 5.521 8.694 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -6.788 4.320 7.472 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.444 2.593 9.194 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -6.626 3.778 10.472 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -8.816 3.113 10.476 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.971 4.189 9.101 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -9.902 2.140 8.330 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.296 2.160 7.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -8.178 0.138 8.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -7.795 0.990 9.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -9.385 0.456 9.708 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.148 3.671 10.425 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.618 3.442 11.758 1.00 0.00 C ATOM 1549 C ASP A 101 -2.753 2.180 11.749 1.00 0.00 C ATOM 1550 O ASP A 101 -2.547 1.572 10.700 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.745 3.236 12.771 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.647 4.452 12.992 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -5.136 5.441 13.561 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.826 4.365 12.587 1.00 0.00 O ATOM 0 H ASP A 101 -4.190 2.840 9.835 1.00 0.00 H new ATOM 0 HA ASP A 101 -3.033 4.317 12.043 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.362 2.400 12.440 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.306 2.950 13.727 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.272 1.823 12.930 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.434 0.644 13.072 1.00 0.00 C ATOM 1561 C GLU A 102 -2.168 -0.594 12.550 1.00 0.00 C ATOM 1562 O GLU A 102 -1.571 -1.437 11.881 1.00 0.00 O ATOM 1563 CB GLU A 102 -1.000 0.451 14.526 1.00 0.00 C ATOM 1564 CG GLU A 102 -0.065 1.576 14.973 1.00 0.00 C ATOM 1565 CD GLU A 102 -0.327 1.961 16.430 1.00 0.00 C ATOM 1566 OE1 GLU A 102 -1.515 2.181 16.754 1.00 0.00 O ATOM 1567 OE2 GLU A 102 0.665 2.028 17.187 1.00 0.00 O ATOM 0 H GLU A 102 -2.446 2.329 13.798 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.533 0.788 12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.878 0.425 15.171 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.497 -0.510 14.635 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.972 1.259 14.858 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.206 2.447 14.332 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.450 -0.663 12.875 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.271 -1.783 12.447 1.00 0.00 C ATOM 1576 C ALA A 103 -4.201 -1.909 10.924 1.00 0.00 C ATOM 1577 O ALA A 103 -3.587 -2.838 10.402 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.702 -1.590 12.951 1.00 0.00 C ATOM 0 H ALA A 103 -3.941 0.038 13.430 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.899 -2.715 12.872 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.317 -2.430 12.630 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.700 -1.537 14.040 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.110 -0.665 12.543 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.839 -0.960 10.254 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.857 -0.953 8.801 1.00 0.00 C ATOM 1586 C GLU A 104 -3.476 -1.316 8.251 1.00 0.00 C ATOM 1587 O GLU A 104 -3.365 -2.098 7.309 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.321 0.403 8.265 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.424 0.383 6.739 1.00 0.00 C ATOM 1590 CD GLU A 104 -6.884 0.453 6.287 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.722 -0.170 6.974 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.130 1.128 5.264 1.00 0.00 O ATOM 0 H GLU A 104 -5.347 -0.191 10.691 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.570 -1.704 8.463 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.290 0.656 8.695 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.622 1.179 8.576 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -4.870 1.224 6.323 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -4.963 -0.526 6.352 1.00 0.00 H new ATOM 1599 N MET A 105 -2.458 -0.731 8.865 1.00 0.00 N ATOM 1600 CA MET A 105 -1.088 -0.982 8.448 1.00 0.00 C ATOM 1601 C MET A 105 -0.689 -2.433 8.726 1.00 0.00 C ATOM 1602 O MET A 105 -0.485 -3.213 7.798 1.00 0.00 O ATOM 1603 CB MET A 105 -0.145 -0.040 9.199 1.00 0.00 C ATOM 1604 CG MET A 105 1.119 0.236 8.381 1.00 0.00 C ATOM 1605 SD MET A 105 2.350 1.022 9.407 1.00 0.00 S ATOM 1606 CE MET A 105 3.048 -0.412 10.209 1.00 0.00 C ATOM 0 H MET A 105 -2.554 -0.084 9.648 1.00 0.00 H new ATOM 0 HA MET A 105 -1.015 -0.803 7.375 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.657 0.898 9.413 1.00 0.00 H new ATOM 0 HB3 MET A 105 0.127 -0.480 10.158 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.512 -0.697 7.977 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.880 0.875 7.531 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.939 -0.120 10.766 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.315 -0.838 10.894 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.317 -1.154 9.458 1.00 0.00 H new ATOM 1616 N SER A 106 -0.589 -2.750 10.009 1.00 0.00 N ATOM 1617 CA SER A 106 -0.217 -4.093 10.421 1.00 0.00 C ATOM 1618 C SER A 106 -0.930 -5.125 9.545 1.00 0.00 C ATOM 1619 O SER A 106 -0.306 -6.065 9.055 1.00 0.00 O ATOM 1620 CB SER A 106 -0.550 -4.329 11.896 1.00 0.00 C ATOM 1621 OG SER A 106 0.604 -4.226 12.726 1.00 0.00 O ATOM 0 H SER A 106 -0.759 -2.100 10.776 1.00 0.00 H new ATOM 0 HA SER A 106 0.860 -4.202 10.297 1.00 0.00 H new ATOM 0 HB2 SER A 106 -1.296 -3.603 12.220 1.00 0.00 H new ATOM 0 HB3 SER A 106 -0.995 -5.317 12.014 1.00 0.00 H new ATOM 0 HG SER A 106 0.350 -4.381 13.660 1.00 0.00 H new ATOM 1627 N SER A 107 -2.227 -4.915 9.374 1.00 0.00 N ATOM 1628 CA SER A 107 -3.031 -5.816 8.566 1.00 0.00 C ATOM 1629 C SER A 107 -2.431 -5.938 7.164 1.00 0.00 C ATOM 1630 O SER A 107 -2.129 -7.039 6.708 1.00 0.00 O ATOM 1631 CB SER A 107 -4.481 -5.334 8.482 1.00 0.00 C ATOM 1632 OG SER A 107 -5.384 -6.252 9.093 1.00 0.00 O ATOM 0 H SER A 107 -2.741 -4.134 9.781 1.00 0.00 H new ATOM 0 HA SER A 107 -3.029 -6.797 9.042 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.569 -4.362 8.967 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.757 -5.195 7.437 1.00 0.00 H new ATOM 0 HG SER A 107 -6.299 -5.908 9.020 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.276 -4.790 6.520 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.717 -4.755 5.179 1.00 0.00 C ATOM 1640 C TRP A 108 -0.517 -5.704 5.142 1.00 0.00 C ATOM 1641 O TRP A 108 -0.533 -6.703 4.424 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.360 -3.324 4.771 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.481 -2.589 4.035 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.188 -1.531 4.455 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.999 -2.901 2.725 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.121 -1.140 3.516 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -4.002 -2.000 2.430 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.633 -3.912 1.819 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.721 -2.019 1.229 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.361 -3.918 0.623 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.373 -3.017 0.311 1.00 0.00 C ATOM 0 H TRP A 108 -2.528 -3.878 6.902 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.450 -5.092 4.447 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -1.094 -2.758 5.664 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.476 -3.349 4.134 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -3.046 -1.045 5.409 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.777 -0.364 3.603 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.852 -4.628 2.029 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.502 -1.302 1.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.120 -4.675 -0.108 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.888 -3.087 -0.636 1.00 0.00 H new ATOM 1662 N LEU A 109 0.495 -5.358 5.924 1.00 0.00 N ATOM 1663 CA LEU A 109 1.700 -6.167 5.989 1.00 0.00 C ATOM 1664 C LEU A 109 1.314 -7.645 6.076 1.00 0.00 C ATOM 1665 O LEU A 109 1.811 -8.466 5.308 1.00 0.00 O ATOM 1666 CB LEU A 109 2.599 -5.698 7.135 1.00 0.00 C ATOM 1667 CG LEU A 109 3.457 -4.463 6.852 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.756 -4.849 6.141 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.666 -3.413 6.069 1.00 0.00 C ATOM 0 H LEU A 109 0.505 -4.529 6.518 1.00 0.00 H new ATOM 0 HA LEU A 109 2.290 -6.044 5.081 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.971 -5.489 8.001 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.260 -6.519 7.412 1.00 0.00 H new ATOM 0 HG LEU A 109 3.733 -4.013 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.347 -3.953 5.952 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.325 -5.533 6.770 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.522 -5.336 5.194 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.299 -2.546 5.881 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.340 -3.837 5.119 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.795 -3.107 6.648 1.00 0.00 H new ATOM 1681 N ARG A 110 0.431 -7.938 7.020 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.028 -9.302 7.218 1.00 0.00 C ATOM 1683 C ARG A 110 -0.624 -9.855 5.921 1.00 0.00 C ATOM 1684 O ARG A 110 -0.468 -11.036 5.616 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.080 -9.374 8.326 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.746 -10.751 8.361 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.725 -10.857 9.532 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.001 -12.279 9.834 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.030 -12.703 10.581 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.886 -11.816 11.106 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.203 -14.013 10.802 1.00 0.00 N ATOM 0 H ARG A 110 0.021 -7.254 7.656 1.00 0.00 H new ATOM 0 HA ARG A 110 0.833 -9.902 7.511 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.614 -9.167 9.289 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.835 -8.605 8.166 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.274 -10.927 7.424 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -0.984 -11.525 8.448 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.309 -10.364 10.411 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.654 -10.342 9.288 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.368 -12.981 9.450 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.754 -10.819 10.937 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.669 -12.138 11.675 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.552 -14.688 10.402 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -4.986 -14.335 11.371 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.294 -8.974 5.193 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.914 -9.359 3.937 1.00 0.00 C ATOM 1707 C VAL A 111 -0.843 -9.437 2.847 1.00 0.00 C ATOM 1708 O VAL A 111 -0.634 -10.493 2.252 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.047 -8.389 3.593 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.847 -8.886 2.388 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.959 -8.162 4.801 1.00 0.00 C ATOM 0 H VAL A 111 -1.421 -7.995 5.449 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.365 -10.348 4.022 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.600 -7.432 3.326 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.646 -8.179 2.165 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.188 -8.973 1.524 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.279 -9.861 2.615 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.756 -7.469 4.530 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.394 -9.112 5.112 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.377 -7.743 5.622 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.193 -8.305 2.619 1.00 0.00 N ATOM 1722 CA VAL A 112 0.851 -8.232 1.611 1.00 0.00 C ATOM 1723 C VAL A 112 1.787 -9.433 1.765 1.00 0.00 C ATOM 1724 O VAL A 112 2.248 -9.996 0.773 1.00 0.00 O ATOM 1725 CB VAL A 112 1.580 -6.891 1.710 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.752 -6.830 0.728 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.615 -5.725 1.485 1.00 0.00 C ATOM 0 H VAL A 112 -0.369 -7.431 3.115 1.00 0.00 H new ATOM 0 HA VAL A 112 0.421 -8.281 0.611 1.00 0.00 H new ATOM 0 HB VAL A 112 1.983 -6.803 2.719 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.253 -5.866 0.819 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.458 -7.629 0.954 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.381 -6.951 -0.290 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.158 -4.783 1.561 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.169 -5.808 0.494 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.171 -5.752 2.240 1.00 0.00 H new ATOM 1737 N ASN A 113 2.039 -9.791 3.015 1.00 0.00 N ATOM 1738 CA ASN A 113 2.911 -10.915 3.311 1.00 0.00 C ATOM 1739 C ASN A 113 2.200 -12.218 2.938 1.00 0.00 C ATOM 1740 O ASN A 113 2.832 -13.157 2.455 1.00 0.00 O ATOM 1741 CB ASN A 113 3.250 -10.972 4.802 1.00 0.00 C ATOM 1742 CG ASN A 113 4.522 -10.177 5.105 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.617 -10.710 5.170 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.316 -8.875 5.286 1.00 0.00 N ATOM 0 H ASN A 113 1.654 -9.322 3.835 1.00 0.00 H new ATOM 0 HA ASN A 113 3.829 -10.790 2.737 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.419 -10.572 5.383 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.383 -12.009 5.109 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.102 -8.258 5.493 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.372 -8.494 5.217 1.00 0.00 H new ATOM 1751 N ALA A 114 0.897 -12.233 3.176 1.00 0.00 N ATOM 1752 CA ALA A 114 0.094 -13.405 2.871 1.00 0.00 C ATOM 1753 C ALA A 114 0.002 -13.574 1.353 1.00 0.00 C ATOM 1754 O ALA A 114 -0.364 -14.642 0.865 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.281 -13.267 3.527 1.00 0.00 C ATOM 0 H ALA A 114 0.377 -11.452 3.577 1.00 0.00 H new ATOM 0 HA ALA A 114 0.559 -14.304 3.275 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.883 -14.146 3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.162 -13.180 4.607 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.779 -12.376 3.144 1.00 0.00 H new ATOM 1761 N ALA A 115 0.340 -12.504 0.649 1.00 0.00 N ATOM 1762 CA ALA A 115 0.300 -12.520 -0.803 1.00 0.00 C ATOM 1763 C ALA A 115 1.679 -12.907 -1.343 1.00 0.00 C ATOM 1764 O ALA A 115 1.788 -13.763 -2.220 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.165 -11.156 -1.317 1.00 0.00 C ATOM 0 H ALA A 115 0.643 -11.620 1.057 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.414 -13.263 -1.158 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.195 -11.169 -2.407 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.161 -10.941 -0.929 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.529 -10.385 -0.982 1.00 0.00 H new ATOM 1771 N ILE A 116 2.696 -12.258 -0.797 1.00 0.00 N ATOM 1772 CA ILE A 116 4.063 -12.524 -1.212 1.00 0.00 C ATOM 1773 C ILE A 116 4.333 -14.028 -1.130 1.00 0.00 C ATOM 1774 O ILE A 116 4.652 -14.661 -2.135 1.00 0.00 O ATOM 1775 CB ILE A 116 5.045 -11.678 -0.399 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.994 -10.211 -0.834 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.461 -12.251 -0.480 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.461 -9.289 0.294 1.00 0.00 C ATOM 0 H ILE A 116 2.601 -11.548 -0.071 1.00 0.00 H new ATOM 0 HA ILE A 116 4.209 -12.229 -2.251 1.00 0.00 H new ATOM 0 HB ILE A 116 4.743 -11.715 0.648 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.624 -10.066 -1.712 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.977 -9.949 -1.125 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.139 -11.631 0.107 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.466 -13.267 -0.085 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.789 -12.264 -1.519 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.415 -8.253 -0.041 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.814 -9.419 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.487 -9.537 0.566 1.00 0.00 H new ATOM 1790 N ALA A 117 4.196 -14.556 0.077 1.00 0.00 N ATOM 1791 CA ALA A 117 4.422 -15.974 0.304 1.00 0.00 C ATOM 1792 C ALA A 117 3.626 -16.783 -0.722 1.00 0.00 C ATOM 1793 O ALA A 117 4.205 -17.494 -1.542 1.00 0.00 O ATOM 1794 CB ALA A 117 4.045 -16.327 1.744 1.00 0.00 C ATOM 0 H ALA A 117 3.931 -14.028 0.908 1.00 0.00 H new ATOM 0 HA ALA A 117 5.476 -16.221 0.173 1.00 0.00 H new ATOM 0 HB1 ALA A 117 4.214 -17.390 1.914 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.658 -15.747 2.433 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.993 -16.096 1.912 1.00 0.00 H new ATOM 1800 N SER A 118 2.310 -16.647 -0.643 1.00 0.00 N ATOM 1801 CA SER A 118 1.429 -17.357 -1.554 1.00 0.00 C ATOM 1802 C SER A 118 1.855 -17.099 -3.001 1.00 0.00 C ATOM 1803 O SER A 118 1.557 -16.045 -3.561 1.00 0.00 O ATOM 1804 CB SER A 118 -0.029 -16.939 -1.348 1.00 0.00 C ATOM 1805 OG SER A 118 -0.737 -17.862 -0.525 1.00 0.00 O ATOM 0 H SER A 118 1.833 -16.056 0.038 1.00 0.00 H new ATOM 0 HA SER A 118 1.507 -18.424 -1.343 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.062 -15.949 -0.894 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.524 -16.862 -2.316 1.00 0.00 H new ATOM 0 HG SER A 118 -1.663 -17.560 -0.416 1.00 0.00 H new