USER MOD reduce.3.24.130724 H: found=0, std=0, add=516, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 518 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 37 ASN : amide:sc= 0.902 X(o=1.7,f=2.1) USER MOD Set 1.2: A 42 THR OG1 : rot 180:sc= 0.749 USER MOD Set 1.3: A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot 140:sc= 1.26 USER MOD Single : A 4 LYS NZ :NH3+ -160:sc= 0.806 (180deg=0.737) USER MOD Single : A 19 ASN : amide:sc= -1.01 K(o=-1,f=-0.22) USER MOD Single : A 23 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.0889) USER MOD Single : A 26 ASN : amide:sc= -0.0129 X(o=-0.013,f=-0.013) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -0.179 X(o=-0.18,f=-0.18) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.151 USER MOD Single : A 48 ASN : amide:sc= -0.498 K(o=-0.5,f=-7.6!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot -31:sc= 1.14 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -148:sc= 0.207 (180deg=-1.02!) USER MOD Single : A 63 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0331) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 150:sc= 2.12 (180deg=1.65) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ -118:sc= 1.03 (180deg=-0.243!) USER MOD ----------------------------------------------------------------- ATOM 19 N THR A 2 -8.484 10.059 8.316 1.00 10.00 N ATOM 20 CA THR A 2 -7.591 9.413 7.375 1.00 10.00 C ATOM 21 C THR A 2 -7.883 10.000 5.997 1.00 10.00 C ATOM 22 O THR A 2 -8.848 10.751 5.846 1.00 10.00 O ATOM 23 CB THR A 2 -7.802 7.890 7.414 1.00 10.00 C ATOM 24 OG1 THR A 2 -9.183 7.586 7.565 1.00 10.00 O ATOM 25 CG2 THR A 2 -7.014 7.298 8.587 1.00 10.00 C ATOM 0 HA THR A 2 -6.546 9.590 7.628 1.00 10.00 H new ATOM 0 HB THR A 2 -7.448 7.458 6.478 1.00 10.00 H new ATOM 0 HG1 THR A 2 -9.413 6.820 6.999 1.00 10.00 H new ATOM 0 HG21 THR A 2 -7.162 6.219 8.617 1.00 10.00 H new ATOM 0 HG22 THR A 2 -5.954 7.516 8.460 1.00 10.00 H new ATOM 0 HG23 THR A 2 -7.365 7.738 9.520 1.00 10.00 H new ATOM 33 N GLU A 3 -7.017 9.689 5.034 1.00 10.00 N ATOM 34 CA GLU A 3 -6.982 10.240 3.694 1.00 10.00 C ATOM 35 C GLU A 3 -6.766 9.067 2.743 1.00 10.00 C ATOM 36 O GLU A 3 -6.090 8.104 3.111 1.00 10.00 O ATOM 37 CB GLU A 3 -5.816 11.241 3.633 1.00 10.00 C ATOM 38 CG GLU A 3 -6.279 12.617 3.140 1.00 10.00 C ATOM 39 CD GLU A 3 -5.347 13.753 3.565 1.00 10.00 C ATOM 40 OE1 GLU A 3 -4.707 13.610 4.631 1.00 10.00 O ATOM 41 OE2 GLU A 3 -5.327 14.771 2.844 1.00 10.00 O ATOM 0 H GLU A 3 -6.278 9.002 5.185 1.00 10.00 H new ATOM 0 HA GLU A 3 -7.899 10.762 3.420 1.00 10.00 H new ATOM 0 HB2 GLU A 3 -5.368 11.340 4.622 1.00 10.00 H new ATOM 0 HB3 GLU A 3 -5.041 10.858 2.969 1.00 10.00 H new ATOM 0 HG2 GLU A 3 -6.350 12.601 2.052 1.00 10.00 H new ATOM 0 HG3 GLU A 3 -7.280 12.815 3.522 1.00 10.00 H new ATOM 48 N LYS A 4 -7.348 9.129 1.544 1.00 10.00 N ATOM 49 CA LYS A 4 -7.157 8.098 0.547 1.00 10.00 C ATOM 50 C LYS A 4 -5.838 8.347 -0.168 1.00 10.00 C ATOM 51 O LYS A 4 -5.433 9.486 -0.371 1.00 10.00 O ATOM 52 CB LYS A 4 -8.326 8.077 -0.451 1.00 10.00 C ATOM 53 CG LYS A 4 -9.509 7.218 0.020 1.00 10.00 C ATOM 54 CD LYS A 4 -9.120 5.729 0.085 1.00 10.00 C ATOM 55 CE LYS A 4 -10.323 4.776 0.121 1.00 10.00 C ATOM 56 NZ LYS A 4 -11.244 5.035 1.251 1.00 10.00 N ATOM 0 H LYS A 4 -7.958 9.891 1.248 1.00 10.00 H new ATOM 0 HA LYS A 4 -7.129 7.123 1.033 1.00 10.00 H new ATOM 0 HB2 LYS A 4 -8.670 9.097 -0.619 1.00 10.00 H new ATOM 0 HB3 LYS A 4 -7.970 7.699 -1.410 1.00 10.00 H new ATOM 0 HG2 LYS A 4 -9.838 7.555 1.003 1.00 10.00 H new ATOM 0 HG3 LYS A 4 -10.351 7.348 -0.660 1.00 10.00 H new ATOM 0 HD2 LYS A 4 -8.502 5.486 -0.779 1.00 10.00 H new ATOM 0 HD3 LYS A 4 -8.508 5.561 0.972 1.00 10.00 H new ATOM 0 HE2 LYS A 4 -10.875 4.863 -0.815 1.00 10.00 H new ATOM 0 HE3 LYS A 4 -9.962 3.749 0.184 1.00 10.00 H new ATOM 0 HZ1 LYS A 4 -11.824 4.190 1.427 1.00 10.00 H new ATOM 0 HZ2 LYS A 4 -10.693 5.260 2.104 1.00 10.00 H new ATOM 0 HZ3 LYS A 4 -11.863 5.837 1.017 1.00 10.00 H new ATOM 70 N ALA A 5 -5.176 7.258 -0.544 1.00 10.00 N ATOM 71 CA ALA A 5 -3.965 7.262 -1.336 1.00 10.00 C ATOM 72 C ALA A 5 -3.988 6.036 -2.251 1.00 10.00 C ATOM 73 O ALA A 5 -4.442 4.971 -1.826 1.00 10.00 O ATOM 74 CB ALA A 5 -2.772 7.252 -0.384 1.00 10.00 C ATOM 0 H ALA A 5 -5.484 6.318 -0.294 1.00 10.00 H new ATOM 0 HA ALA A 5 -3.888 8.150 -1.964 1.00 10.00 H new ATOM 0 HB1 ALA A 5 -1.847 7.255 -0.960 1.00 10.00 H new ATOM 0 HB2 ALA A 5 -2.806 8.137 0.252 1.00 10.00 H new ATOM 0 HB3 ALA A 5 -2.810 6.357 0.237 1.00 10.00 H new ATOM 80 N GLU A 6 -3.516 6.182 -3.493 1.00 10.00 N ATOM 81 CA GLU A 6 -3.364 5.098 -4.445 1.00 10.00 C ATOM 82 C GLU A 6 -1.920 5.039 -4.881 1.00 10.00 C ATOM 83 O GLU A 6 -1.256 6.074 -4.974 1.00 10.00 O ATOM 84 CB GLU A 6 -4.191 5.312 -5.708 1.00 10.00 C ATOM 85 CG GLU A 6 -5.617 4.800 -5.558 1.00 10.00 C ATOM 86 CD GLU A 6 -6.175 4.296 -6.882 1.00 10.00 C ATOM 87 OE1 GLU A 6 -5.782 4.852 -7.930 1.00 10.00 O ATOM 88 OE2 GLU A 6 -6.949 3.316 -6.809 1.00 10.00 O ATOM 0 H GLU A 6 -3.224 7.085 -3.866 1.00 10.00 H new ATOM 0 HA GLU A 6 -3.697 4.186 -3.950 1.00 10.00 H new ATOM 0 HB2 GLU A 6 -4.212 6.375 -5.950 1.00 10.00 H new ATOM 0 HB3 GLU A 6 -3.711 4.804 -6.544 1.00 10.00 H new ATOM 0 HG2 GLU A 6 -5.640 3.995 -4.823 1.00 10.00 H new ATOM 0 HG3 GLU A 6 -6.252 5.599 -5.175 1.00 10.00 H new ATOM 95 N PHE A 7 -1.484 3.821 -5.187 1.00 10.00 N ATOM 96 CA PHE A 7 -0.098 3.506 -5.466 1.00 10.00 C ATOM 97 C PHE A 7 -0.027 2.507 -6.617 1.00 10.00 C ATOM 98 O PHE A 7 -0.834 1.574 -6.662 1.00 10.00 O ATOM 99 CB PHE A 7 0.583 2.958 -4.204 1.00 10.00 C ATOM 100 CG PHE A 7 0.242 3.651 -2.902 1.00 10.00 C ATOM 101 CD1 PHE A 7 -0.990 3.380 -2.286 1.00 10.00 C ATOM 102 CD2 PHE A 7 1.138 4.549 -2.295 1.00 10.00 C ATOM 103 CE1 PHE A 7 -1.369 4.065 -1.127 1.00 10.00 C ATOM 104 CE2 PHE A 7 0.776 5.190 -1.095 1.00 10.00 C ATOM 105 CZ PHE A 7 -0.464 4.928 -0.497 1.00 10.00 C ATOM 0 H PHE A 7 -2.102 3.012 -5.248 1.00 10.00 H new ATOM 0 HA PHE A 7 0.433 4.410 -5.762 1.00 10.00 H new ATOM 0 HB2 PHE A 7 0.326 1.903 -4.107 1.00 10.00 H new ATOM 0 HB3 PHE A 7 1.662 3.011 -4.347 1.00 10.00 H new ATOM 0 HD1 PHE A 7 -1.650 2.637 -2.710 1.00 10.00 H new ATOM 0 HD2 PHE A 7 2.099 4.746 -2.747 1.00 10.00 H new ATOM 0 HE1 PHE A 7 -2.359 3.928 -0.718 1.00 10.00 H new ATOM 0 HE2 PHE A 7 1.458 5.888 -0.632 1.00 10.00 H new ATOM 0 HZ PHE A 7 -0.720 5.389 0.445 1.00 10.00 H new ATOM 115 N ASP A 8 0.919 2.714 -7.540 1.00 10.00 N ATOM 116 CA ASP A 8 0.984 2.012 -8.817 1.00 10.00 C ATOM 117 C ASP A 8 2.094 0.960 -8.722 1.00 10.00 C ATOM 118 O ASP A 8 3.179 1.272 -8.222 1.00 10.00 O ATOM 119 CB ASP A 8 1.208 3.046 -9.936 1.00 10.00 C ATOM 120 CG ASP A 8 0.422 2.703 -11.193 1.00 10.00 C ATOM 121 OD1 ASP A 8 0.629 1.588 -11.705 1.00 10.00 O ATOM 122 OD2 ASP A 8 -0.392 3.559 -11.617 1.00 10.00 O ATOM 0 H ASP A 8 1.674 3.388 -7.413 1.00 10.00 H new ATOM 0 HA ASP A 8 0.058 1.489 -9.054 1.00 10.00 H new ATOM 0 HB2 ASP A 8 0.913 4.034 -9.582 1.00 10.00 H new ATOM 0 HB3 ASP A 8 2.270 3.097 -10.175 1.00 10.00 H new ATOM 127 N ILE A 9 1.791 -0.301 -9.053 1.00 10.00 N ATOM 128 CA ILE A 9 2.565 -1.468 -8.648 1.00 10.00 C ATOM 129 C ILE A 9 3.410 -1.984 -9.804 1.00 10.00 C ATOM 130 O ILE A 9 2.910 -2.125 -10.917 1.00 10.00 O ATOM 131 CB ILE A 9 1.607 -2.576 -8.161 1.00 10.00 C ATOM 132 CG1 ILE A 9 0.478 -2.055 -7.261 1.00 10.00 C ATOM 133 CG2 ILE A 9 2.370 -3.663 -7.404 1.00 10.00 C ATOM 134 CD1 ILE A 9 1.007 -1.208 -6.116 1.00 10.00 C ATOM 0 H ILE A 9 0.980 -0.538 -9.624 1.00 10.00 H new ATOM 0 HA ILE A 9 3.235 -1.180 -7.838 1.00 10.00 H new ATOM 0 HB ILE A 9 1.154 -2.984 -9.064 1.00 10.00 H new ATOM 0 HG12 ILE A 9 -0.218 -1.465 -7.857 1.00 10.00 H new ATOM 0 HG13 ILE A 9 -0.083 -2.898 -6.859 1.00 10.00 H new ATOM 0 HG21 ILE A 9 1.673 -4.432 -7.071 1.00 10.00 H new ATOM 0 HG22 ILE A 9 3.116 -4.109 -8.062 1.00 10.00 H new ATOM 0 HG23 ILE A 9 2.866 -3.224 -6.538 1.00 10.00 H new ATOM 0 HD11 ILE A 9 0.174 -0.861 -5.505 1.00 10.00 H new ATOM 0 HD12 ILE A 9 1.682 -1.805 -5.503 1.00 10.00 H new ATOM 0 HD13 ILE A 9 1.545 -0.349 -6.517 1.00 10.00 H new ATOM 146 N GLU A 10 4.671 -2.318 -9.515 1.00 10.00 N ATOM 147 CA GLU A 10 5.554 -3.023 -10.423 1.00 10.00 C ATOM 148 C GLU A 10 6.069 -4.264 -9.692 1.00 10.00 C ATOM 149 O GLU A 10 6.983 -4.161 -8.868 1.00 10.00 O ATOM 150 CB GLU A 10 6.701 -2.086 -10.824 1.00 10.00 C ATOM 151 CG GLU A 10 6.302 -1.164 -11.988 1.00 10.00 C ATOM 152 CD GLU A 10 6.516 -1.813 -13.354 1.00 10.00 C ATOM 153 OE1 GLU A 10 6.538 -3.062 -13.404 1.00 10.00 O ATOM 154 OE2 GLU A 10 6.696 -1.040 -14.319 1.00 10.00 O ATOM 0 H GLU A 10 5.108 -2.097 -8.620 1.00 10.00 H new ATOM 0 HA GLU A 10 5.041 -3.332 -11.334 1.00 10.00 H new ATOM 0 HB2 GLU A 10 6.994 -1.482 -9.965 1.00 10.00 H new ATOM 0 HB3 GLU A 10 7.571 -2.677 -11.110 1.00 10.00 H new ATOM 0 HG2 GLU A 10 5.253 -0.886 -11.883 1.00 10.00 H new ATOM 0 HG3 GLU A 10 6.883 -0.243 -11.933 1.00 10.00 H new ATOM 251 N ASN A 19 -1.875 -9.770 -0.486 1.00 10.00 N ATOM 252 CA ASN A 19 -2.369 -9.900 0.880 1.00 10.00 C ATOM 253 C ASN A 19 -1.300 -9.539 1.915 1.00 10.00 C ATOM 254 O ASN A 19 -1.622 -9.004 2.974 1.00 10.00 O ATOM 255 CB ASN A 19 -2.902 -11.317 1.156 1.00 10.00 C ATOM 256 CG ASN A 19 -3.905 -11.391 2.307 1.00 10.00 C ATOM 257 OD1 ASN A 19 -4.647 -12.363 2.410 1.00 10.00 O ATOM 258 ND2 ASN A 19 -3.956 -10.389 3.174 1.00 10.00 N ATOM 0 HA ASN A 19 -3.191 -9.191 0.977 1.00 10.00 H new ATOM 0 HB2 ASN A 19 -3.374 -11.699 0.251 1.00 10.00 H new ATOM 0 HB3 ASN A 19 -2.061 -11.974 1.378 1.00 10.00 H new ATOM 0 HD21 ASN A 19 -4.622 -10.416 3.946 1.00 10.00 H new ATOM 0 HD22 ASN A 19 -3.329 -9.591 3.069 1.00 10.00 H new ATOM 265 N ARG A 20 -0.022 -9.833 1.651 1.00 10.00 N ATOM 266 CA ARG A 20 1.026 -9.519 2.601 1.00 10.00 C ATOM 267 C ARG A 20 1.050 -8.008 2.840 1.00 10.00 C ATOM 268 O ARG A 20 1.228 -7.569 3.977 1.00 10.00 O ATOM 269 CB ARG A 20 2.382 -10.040 2.103 1.00 10.00 C ATOM 270 CG ARG A 20 3.339 -10.285 3.286 1.00 10.00 C ATOM 271 CD ARG A 20 3.686 -11.768 3.468 1.00 10.00 C ATOM 272 NE ARG A 20 2.485 -12.619 3.529 1.00 10.00 N ATOM 273 CZ ARG A 20 2.508 -13.953 3.689 1.00 10.00 C ATOM 274 NH1 ARG A 20 3.670 -14.573 3.925 1.00 10.00 N ATOM 275 NH2 ARG A 20 1.374 -14.657 3.609 1.00 10.00 N ATOM 0 H ARG A 20 0.299 -10.283 0.794 1.00 10.00 H new ATOM 0 HA ARG A 20 0.824 -10.016 3.550 1.00 10.00 H new ATOM 0 HB2 ARG A 20 2.239 -10.966 1.546 1.00 10.00 H new ATOM 0 HB3 ARG A 20 2.824 -9.319 1.415 1.00 10.00 H new ATOM 0 HG2 ARG A 20 4.257 -9.718 3.130 1.00 10.00 H new ATOM 0 HG3 ARG A 20 2.883 -9.908 4.201 1.00 10.00 H new ATOM 0 HD2 ARG A 20 4.319 -12.095 2.643 1.00 10.00 H new ATOM 0 HD3 ARG A 20 4.265 -11.894 4.383 1.00 10.00 H new ATOM 0 HE ARG A 20 1.575 -12.165 3.444 1.00 10.00 H new ATOM 0 HH11 ARG A 20 4.534 -14.033 3.983 1.00 10.00 H new ATOM 0 HH12 ARG A 20 3.692 -15.585 4.047 1.00 10.00 H new ATOM 0 HH21 ARG A 20 0.490 -14.181 3.426 1.00 10.00 H new ATOM 0 HH22 ARG A 20 1.393 -15.670 3.731 1.00 10.00 H new ATOM 289 N ILE A 21 0.829 -7.228 1.773 1.00 10.00 N ATOM 290 CA ILE A 21 0.739 -5.782 1.853 1.00 10.00 C ATOM 291 C ILE A 21 -0.271 -5.375 2.907 1.00 10.00 C ATOM 292 O ILE A 21 0.071 -4.555 3.743 1.00 10.00 O ATOM 293 CB ILE A 21 0.393 -5.148 0.498 1.00 10.00 C ATOM 294 CG1 ILE A 21 1.315 -5.640 -0.620 1.00 10.00 C ATOM 295 CG2 ILE A 21 0.442 -3.620 0.593 1.00 10.00 C ATOM 296 CD1 ILE A 21 2.787 -5.662 -0.192 1.00 10.00 C ATOM 0 H ILE A 21 0.708 -7.595 0.829 1.00 10.00 H new ATOM 0 HA ILE A 21 1.722 -5.409 2.140 1.00 10.00 H new ATOM 0 HB ILE A 21 -0.621 -5.458 0.246 1.00 10.00 H new ATOM 0 HG12 ILE A 21 1.012 -6.642 -0.923 1.00 10.00 H new ATOM 0 HG13 ILE A 21 1.202 -4.995 -1.492 1.00 10.00 H new ATOM 0 HG21 ILE A 21 0.194 -3.187 -0.376 1.00 10.00 H new ATOM 0 HG22 ILE A 21 -0.277 -3.278 1.338 1.00 10.00 H new ATOM 0 HG23 ILE A 21 1.444 -3.306 0.885 1.00 10.00 H new ATOM 0 HD11 ILE A 21 3.401 -6.018 -1.019 1.00 10.00 H new ATOM 0 HD12 ILE A 21 3.100 -4.656 0.085 1.00 10.00 H new ATOM 0 HD13 ILE A 21 2.908 -6.328 0.662 1.00 10.00 H new ATOM 308 N GLU A 22 -1.479 -5.945 2.898 1.00 10.00 N ATOM 309 CA GLU A 22 -2.526 -5.579 3.845 1.00 10.00 C ATOM 310 C GLU A 22 -1.965 -5.515 5.269 1.00 10.00 C ATOM 311 O GLU A 22 -2.124 -4.514 5.962 1.00 10.00 O ATOM 312 CB GLU A 22 -3.687 -6.578 3.780 1.00 10.00 C ATOM 313 CG GLU A 22 -4.326 -6.684 2.388 1.00 10.00 C ATOM 314 CD GLU A 22 -5.339 -7.822 2.322 1.00 10.00 C ATOM 315 OE1 GLU A 22 -5.705 -8.342 3.401 1.00 10.00 O ATOM 316 OE2 GLU A 22 -5.667 -8.207 1.181 1.00 10.00 O ATOM 0 H GLU A 22 -1.754 -6.670 2.235 1.00 10.00 H new ATOM 0 HA GLU A 22 -2.901 -4.592 3.572 1.00 10.00 H new ATOM 0 HB2 GLU A 22 -3.327 -7.562 4.082 1.00 10.00 H new ATOM 0 HB3 GLU A 22 -4.450 -6.283 4.500 1.00 10.00 H new ATOM 0 HG2 GLU A 22 -4.818 -5.743 2.140 1.00 10.00 H new ATOM 0 HG3 GLU A 22 -3.548 -6.844 1.641 1.00 10.00 H new ATOM 323 N LYS A 23 -1.263 -6.566 5.698 1.00 10.00 N ATOM 324 CA LYS A 23 -0.656 -6.628 7.007 1.00 10.00 C ATOM 325 C LYS A 23 0.538 -5.669 7.113 1.00 10.00 C ATOM 326 O LYS A 23 0.657 -4.929 8.090 1.00 10.00 O ATOM 327 CB LYS A 23 -0.295 -8.087 7.303 1.00 10.00 C ATOM 328 CG LYS A 23 -1.544 -8.911 7.677 1.00 10.00 C ATOM 329 CD LYS A 23 -2.094 -9.755 6.514 1.00 10.00 C ATOM 330 CE LYS A 23 -1.451 -11.146 6.432 1.00 10.00 C ATOM 331 NZ LYS A 23 -1.892 -12.031 7.534 1.00 10.00 N ATOM 0 H LYS A 23 -1.105 -7.400 5.133 1.00 10.00 H new ATOM 0 HA LYS A 23 -1.358 -6.291 7.769 1.00 10.00 H new ATOM 0 HB2 LYS A 23 0.186 -8.529 6.430 1.00 10.00 H new ATOM 0 HB3 LYS A 23 0.427 -8.127 8.119 1.00 10.00 H new ATOM 0 HG2 LYS A 23 -1.298 -9.570 8.509 1.00 10.00 H new ATOM 0 HG3 LYS A 23 -2.325 -8.235 8.025 1.00 10.00 H new ATOM 0 HD2 LYS A 23 -3.172 -9.865 6.629 1.00 10.00 H new ATOM 0 HD3 LYS A 23 -1.926 -9.226 5.576 1.00 10.00 H new ATOM 0 HE2 LYS A 23 -1.703 -11.605 5.476 1.00 10.00 H new ATOM 0 HE3 LYS A 23 -0.366 -11.045 6.461 1.00 10.00 H new ATOM 0 HZ1 LYS A 23 -1.631 -13.014 7.316 1.00 10.00 H new ATOM 0 HZ2 LYS A 23 -1.432 -11.739 8.419 1.00 10.00 H new ATOM 0 HZ3 LYS A 23 -2.924 -11.963 7.642 1.00 10.00 H new ATOM 345 N ARG A 24 1.418 -5.671 6.110 1.00 10.00 N ATOM 346 CA ARG A 24 2.595 -4.804 6.080 1.00 10.00 C ATOM 347 C ARG A 24 2.236 -3.314 6.149 1.00 10.00 C ATOM 348 O ARG A 24 3.037 -2.518 6.628 1.00 10.00 O ATOM 349 CB ARG A 24 3.459 -5.141 4.853 1.00 10.00 C ATOM 350 CG ARG A 24 4.632 -6.040 5.259 1.00 10.00 C ATOM 351 CD ARG A 24 5.790 -5.175 5.778 1.00 10.00 C ATOM 352 NE ARG A 24 6.685 -5.930 6.666 1.00 10.00 N ATOM 353 CZ ARG A 24 7.746 -5.394 7.292 1.00 10.00 C ATOM 354 NH1 ARG A 24 8.178 -4.173 6.954 1.00 10.00 N ATOM 355 NH2 ARG A 24 8.364 -6.085 8.258 1.00 10.00 N ATOM 0 H ARG A 24 1.333 -6.276 5.293 1.00 10.00 H new ATOM 0 HA ARG A 24 3.181 -4.999 6.978 1.00 10.00 H new ATOM 0 HB2 ARG A 24 2.852 -5.642 4.099 1.00 10.00 H new ATOM 0 HB3 ARG A 24 3.835 -4.223 4.401 1.00 10.00 H new ATOM 0 HG2 ARG A 24 4.315 -6.742 6.030 1.00 10.00 H new ATOM 0 HG3 ARG A 24 4.962 -6.632 4.405 1.00 10.00 H new ATOM 0 HD2 ARG A 24 6.360 -4.787 4.934 1.00 10.00 H new ATOM 0 HD3 ARG A 24 5.388 -4.315 6.314 1.00 10.00 H new ATOM 0 HE ARG A 24 6.489 -6.920 6.816 1.00 10.00 H new ATOM 0 HH11 ARG A 24 7.702 -3.648 6.220 1.00 10.00 H new ATOM 0 HH12 ARG A 24 8.984 -3.767 7.430 1.00 10.00 H new ATOM 0 HH21 ARG A 24 8.029 -7.013 8.515 1.00 10.00 H new ATOM 0 HH22 ARG A 24 9.170 -5.683 8.737 1.00 10.00 H new ATOM 369 N LEU A 25 1.047 -2.944 5.679 1.00 10.00 N ATOM 370 CA LEU A 25 0.478 -1.615 5.758 1.00 10.00 C ATOM 371 C LEU A 25 -0.336 -1.433 7.035 1.00 10.00 C ATOM 372 O LEU A 25 -0.246 -0.388 7.664 1.00 10.00 O ATOM 373 CB LEU A 25 -0.355 -1.349 4.496 1.00 10.00 C ATOM 374 CG LEU A 25 0.338 -0.273 3.661 1.00 10.00 C ATOM 375 CD1 LEU A 25 -0.020 -0.407 2.181 1.00 10.00 C ATOM 376 CD2 LEU A 25 -0.102 1.088 4.220 1.00 10.00 C ATOM 0 H LEU A 25 0.427 -3.604 5.209 1.00 10.00 H new ATOM 0 HA LEU A 25 1.281 -0.880 5.804 1.00 10.00 H new ATOM 0 HB2 LEU A 25 -0.462 -2.265 3.915 1.00 10.00 H new ATOM 0 HB3 LEU A 25 -1.359 -1.025 4.769 1.00 10.00 H new ATOM 0 HG LEU A 25 1.421 -0.378 3.725 1.00 10.00 H new ATOM 0 HD11 LEU A 25 0.488 0.372 1.612 1.00 10.00 H new ATOM 0 HD12 LEU A 25 0.295 -1.385 1.818 1.00 10.00 H new ATOM 0 HD13 LEU A 25 -1.098 -0.303 2.057 1.00 10.00 H new ATOM 0 HD21 LEU A 25 0.372 1.886 3.649 1.00 10.00 H new ATOM 0 HD22 LEU A 25 -1.185 1.180 4.142 1.00 10.00 H new ATOM 0 HD23 LEU A 25 0.194 1.165 5.266 1.00 10.00 H new ATOM 388 N ASN A 26 -1.092 -2.446 7.463 1.00 10.00 N ATOM 389 CA ASN A 26 -1.818 -2.408 8.731 1.00 10.00 C ATOM 390 C ASN A 26 -0.856 -2.163 9.896 1.00 10.00 C ATOM 391 O ASN A 26 -1.247 -1.650 10.938 1.00 10.00 O ATOM 392 CB ASN A 26 -2.600 -3.708 8.932 1.00 10.00 C ATOM 393 CG ASN A 26 -3.339 -3.730 10.265 1.00 10.00 C ATOM 394 OD1 ASN A 26 -4.351 -3.061 10.433 1.00 10.00 O ATOM 395 ND2 ASN A 26 -2.862 -4.530 11.218 1.00 10.00 N ATOM 0 H ASN A 26 -1.217 -3.313 6.941 1.00 10.00 H new ATOM 0 HA ASN A 26 -2.528 -1.581 8.702 1.00 10.00 H new ATOM 0 HB2 ASN A 26 -3.316 -3.830 8.119 1.00 10.00 H new ATOM 0 HB3 ASN A 26 -1.915 -4.554 8.883 1.00 10.00 H new ATOM 0 HD21 ASN A 26 -3.342 -4.597 12.115 1.00 10.00 H new ATOM 0 HD22 ASN A 26 -2.017 -5.076 11.050 1.00 10.00 H new ATOM 402 N LYS A 27 0.413 -2.544 9.721 1.00 10.00 N ATOM 403 CA LYS A 27 1.486 -2.178 10.627 1.00 10.00 C ATOM 404 C LYS A 27 1.620 -0.673 10.869 1.00 10.00 C ATOM 405 O LYS A 27 1.980 -0.287 11.976 1.00 10.00 O ATOM 406 CB LYS A 27 2.815 -2.731 10.099 1.00 10.00 C ATOM 407 CG LYS A 27 3.102 -4.161 10.557 1.00 10.00 C ATOM 408 CD LYS A 27 3.152 -4.216 12.093 1.00 10.00 C ATOM 409 CE LYS A 27 1.956 -5.023 12.621 1.00 10.00 C ATOM 410 NZ LYS A 27 1.768 -4.831 14.076 1.00 10.00 N ATOM 0 H LYS A 27 0.719 -3.120 8.937 1.00 10.00 H new ATOM 0 HA LYS A 27 1.230 -2.619 11.591 1.00 10.00 H new ATOM 0 HB2 LYS A 27 2.805 -2.701 9.009 1.00 10.00 H new ATOM 0 HB3 LYS A 27 3.627 -2.082 10.428 1.00 10.00 H new ATOM 0 HG2 LYS A 27 2.329 -4.834 10.185 1.00 10.00 H new ATOM 0 HG3 LYS A 27 4.050 -4.503 10.141 1.00 10.00 H new ATOM 0 HD2 LYS A 27 4.085 -4.674 12.420 1.00 10.00 H new ATOM 0 HD3 LYS A 27 3.132 -3.207 12.504 1.00 10.00 H new ATOM 0 HE2 LYS A 27 1.051 -4.720 12.094 1.00 10.00 H new ATOM 0 HE3 LYS A 27 2.109 -6.081 12.410 1.00 10.00 H new ATOM 0 HZ1 LYS A 27 0.952 -5.390 14.397 1.00 10.00 H new ATOM 0 HZ2 LYS A 27 2.622 -5.143 14.581 1.00 10.00 H new ATOM 0 HZ3 LYS A 27 1.597 -3.824 14.274 1.00 10.00 H new ATOM 424 N ILE A 28 1.405 0.161 9.850 1.00 10.00 N ATOM 425 CA ILE A 28 1.419 1.605 10.013 1.00 10.00 C ATOM 426 C ILE A 28 0.435 1.993 11.117 1.00 10.00 C ATOM 427 O ILE A 28 -0.716 1.569 11.083 1.00 10.00 O ATOM 428 CB ILE A 28 1.067 2.274 8.671 1.00 10.00 C ATOM 429 CG1 ILE A 28 2.077 1.952 7.551 1.00 10.00 C ATOM 430 CG2 ILE A 28 0.897 3.781 8.859 1.00 10.00 C ATOM 431 CD1 ILE A 28 3.539 1.994 7.991 1.00 10.00 C ATOM 0 H ILE A 28 1.218 -0.149 8.896 1.00 10.00 H new ATOM 0 HA ILE A 28 2.411 1.949 10.307 1.00 10.00 H new ATOM 0 HB ILE A 28 0.117 1.852 8.341 1.00 10.00 H new ATOM 0 HG12 ILE A 28 1.858 0.961 7.154 1.00 10.00 H new ATOM 0 HG13 ILE A 28 1.935 2.661 6.735 1.00 10.00 H new ATOM 0 HG21 ILE A 28 0.648 4.241 7.903 1.00 10.00 H new ATOM 0 HG22 ILE A 28 0.095 3.970 9.572 1.00 10.00 H new ATOM 0 HG23 ILE A 28 1.826 4.208 9.236 1.00 10.00 H new ATOM 0 HD11 ILE A 28 4.181 1.756 7.143 1.00 10.00 H new ATOM 0 HD12 ILE A 28 3.780 2.991 8.359 1.00 10.00 H new ATOM 0 HD13 ILE A 28 3.701 1.265 8.785 1.00 10.00 H new ATOM 443 N GLU A 29 0.874 2.787 12.096 1.00 10.00 N ATOM 444 CA GLU A 29 0.015 3.148 13.208 1.00 10.00 C ATOM 445 C GLU A 29 -1.112 4.063 12.708 1.00 10.00 C ATOM 446 O GLU A 29 -2.286 3.799 12.963 1.00 10.00 O ATOM 447 CB GLU A 29 0.847 3.775 14.338 1.00 10.00 C ATOM 448 CG GLU A 29 0.351 3.392 15.733 1.00 10.00 C ATOM 449 CD GLU A 29 0.729 1.966 16.122 1.00 10.00 C ATOM 450 OE1 GLU A 29 1.935 1.745 16.364 1.00 10.00 O ATOM 451 OE2 GLU A 29 -0.195 1.127 16.190 1.00 10.00 O ATOM 0 H GLU A 29 1.812 3.185 12.135 1.00 10.00 H new ATOM 0 HA GLU A 29 -0.455 2.259 13.628 1.00 10.00 H new ATOM 0 HB2 GLU A 29 1.886 3.465 14.231 1.00 10.00 H new ATOM 0 HB3 GLU A 29 0.826 4.860 14.237 1.00 10.00 H new ATOM 0 HG2 GLU A 29 0.766 4.086 16.465 1.00 10.00 H new ATOM 0 HG3 GLU A 29 -0.733 3.499 15.771 1.00 10.00 H new ATOM 458 N GLY A 30 -0.799 5.125 11.953 1.00 10.00 N ATOM 459 CA GLY A 30 -1.803 6.085 11.514 1.00 10.00 C ATOM 460 C GLY A 30 -2.551 5.609 10.273 1.00 10.00 C ATOM 461 O GLY A 30 -2.716 6.367 9.321 1.00 10.00 O ATOM 0 H GLY A 30 0.147 5.335 11.636 1.00 10.00 H new ATOM 0 HA2 GLY A 30 -2.515 6.258 12.321 1.00 10.00 H new ATOM 0 HA3 GLY A 30 -1.322 7.040 11.302 1.00 10.00 H new ATOM 465 N VAL A 31 -3.004 4.359 10.279 1.00 10.00 N ATOM 466 CA VAL A 31 -3.693 3.715 9.180 1.00 10.00 C ATOM 467 C VAL A 31 -5.159 3.502 9.550 1.00 10.00 C ATOM 468 O VAL A 31 -5.487 3.390 10.730 1.00 10.00 O ATOM 469 CB VAL A 31 -2.949 2.408 8.878 1.00 10.00 C ATOM 470 CG1 VAL A 31 -3.383 1.241 9.770 1.00 10.00 C ATOM 471 CG2 VAL A 31 -3.043 2.051 7.401 1.00 10.00 C ATOM 0 H VAL A 31 -2.893 3.746 11.087 1.00 10.00 H new ATOM 0 HA VAL A 31 -3.694 4.328 8.279 1.00 10.00 H new ATOM 0 HB VAL A 31 -1.902 2.590 9.119 1.00 10.00 H new ATOM 0 HG11 VAL A 31 -2.817 0.349 9.503 1.00 10.00 H new ATOM 0 HG12 VAL A 31 -3.194 1.491 10.814 1.00 10.00 H new ATOM 0 HG13 VAL A 31 -4.447 1.052 9.629 1.00 10.00 H new ATOM 0 HG21 VAL A 31 -2.507 1.120 7.217 1.00 10.00 H new ATOM 0 HG22 VAL A 31 -4.090 1.928 7.122 1.00 10.00 H new ATOM 0 HG23 VAL A 31 -2.600 2.849 6.805 1.00 10.00 H new ATOM 481 N ALA A 32 -6.040 3.441 8.547 1.00 10.00 N ATOM 482 CA ALA A 32 -7.423 3.017 8.737 1.00 10.00 C ATOM 483 C ALA A 32 -7.701 1.756 7.927 1.00 10.00 C ATOM 484 O ALA A 32 -8.218 0.784 8.472 1.00 10.00 O ATOM 485 CB ALA A 32 -8.395 4.138 8.369 1.00 10.00 C ATOM 0 H ALA A 32 -5.811 3.685 7.583 1.00 10.00 H new ATOM 0 HA ALA A 32 -7.575 2.787 9.792 1.00 10.00 H new ATOM 0 HB1 ALA A 32 -9.419 3.796 8.520 1.00 10.00 H new ATOM 0 HB2 ALA A 32 -8.206 5.006 9.001 1.00 10.00 H new ATOM 0 HB3 ALA A 32 -8.254 4.413 7.324 1.00 10.00 H new ATOM 491 N ASN A 33 -7.390 1.764 6.626 1.00 10.00 N ATOM 492 CA ASN A 33 -7.735 0.660 5.737 1.00 10.00 C ATOM 493 C ASN A 33 -6.623 0.484 4.705 1.00 10.00 C ATOM 494 O ASN A 33 -5.981 1.462 4.333 1.00 10.00 O ATOM 495 CB ASN A 33 -9.075 0.944 5.037 1.00 10.00 C ATOM 496 CG ASN A 33 -10.245 1.163 5.994 1.00 10.00 C ATOM 497 OD1 ASN A 33 -10.827 0.203 6.486 1.00 10.00 O ATOM 498 ND2 ASN A 33 -10.629 2.414 6.241 1.00 10.00 N ATOM 0 H ASN A 33 -6.897 2.530 6.168 1.00 10.00 H new ATOM 0 HA ASN A 33 -7.839 -0.258 6.316 1.00 10.00 H new ATOM 0 HB2 ASN A 33 -8.964 1.827 4.408 1.00 10.00 H new ATOM 0 HB3 ASN A 33 -9.311 0.110 4.376 1.00 10.00 H new ATOM 0 HD21 ASN A 33 -11.425 2.592 6.853 1.00 10.00 H new ATOM 0 HD22 ASN A 33 -10.127 3.195 5.818 1.00 10.00 H new ATOM 505 N ALA A 34 -6.403 -0.744 4.223 1.00 10.00 N ATOM 506 CA ALA A 34 -5.445 -1.038 3.154 1.00 10.00 C ATOM 507 C ALA A 34 -6.001 -2.042 2.126 1.00 10.00 C ATOM 508 O ALA A 34 -5.407 -3.100 1.923 1.00 10.00 O ATOM 509 CB ALA A 34 -4.135 -1.525 3.784 1.00 10.00 C ATOM 0 H ALA A 34 -6.891 -1.570 4.569 1.00 10.00 H new ATOM 0 HA ALA A 34 -5.255 -0.124 2.591 1.00 10.00 H new ATOM 0 HB1 ALA A 34 -3.414 -1.747 2.998 1.00 10.00 H new ATOM 0 HB2 ALA A 34 -3.734 -0.749 4.436 1.00 10.00 H new ATOM 0 HB3 ALA A 34 -4.325 -2.426 4.367 1.00 10.00 H new ATOM 515 N PRO A 35 -7.132 -1.742 1.466 1.00 10.00 N ATOM 516 CA PRO A 35 -7.770 -2.652 0.528 1.00 10.00 C ATOM 517 C PRO A 35 -7.020 -2.658 -0.808 1.00 10.00 C ATOM 518 O PRO A 35 -7.465 -2.049 -1.778 1.00 10.00 O ATOM 519 CB PRO A 35 -9.203 -2.122 0.389 1.00 10.00 C ATOM 520 CG PRO A 35 -9.019 -0.612 0.550 1.00 10.00 C ATOM 521 CD PRO A 35 -7.925 -0.530 1.612 1.00 10.00 C ATOM 0 HA PRO A 35 -7.764 -3.688 0.868 1.00 10.00 H new ATOM 0 HB2 PRO A 35 -9.637 -2.376 -0.578 1.00 10.00 H new ATOM 0 HB3 PRO A 35 -9.863 -2.533 1.153 1.00 10.00 H new ATOM 0 HG2 PRO A 35 -8.716 -0.137 -0.383 1.00 10.00 H new ATOM 0 HG3 PRO A 35 -9.938 -0.122 0.873 1.00 10.00 H new ATOM 0 HD2 PRO A 35 -7.309 0.358 1.470 1.00 10.00 H new ATOM 0 HD3 PRO A 35 -8.355 -0.463 2.611 1.00 10.00 H new ATOM 529 N VAL A 36 -5.878 -3.345 -0.874 1.00 10.00 N ATOM 530 CA VAL A 36 -5.132 -3.487 -2.113 1.00 10.00 C ATOM 531 C VAL A 36 -5.972 -4.173 -3.196 1.00 10.00 C ATOM 532 O VAL A 36 -6.846 -4.983 -2.887 1.00 10.00 O ATOM 533 CB VAL A 36 -3.831 -4.257 -1.853 1.00 10.00 C ATOM 534 CG1 VAL A 36 -3.107 -3.714 -0.616 1.00 10.00 C ATOM 535 CG2 VAL A 36 -4.079 -5.757 -1.674 1.00 10.00 C ATOM 0 H VAL A 36 -5.452 -3.813 -0.074 1.00 10.00 H new ATOM 0 HA VAL A 36 -4.883 -2.492 -2.482 1.00 10.00 H new ATOM 0 HB VAL A 36 -3.204 -4.113 -2.733 1.00 10.00 H new ATOM 0 HG11 VAL A 36 -2.188 -4.278 -0.455 1.00 10.00 H new ATOM 0 HG12 VAL A 36 -2.865 -2.662 -0.769 1.00 10.00 H new ATOM 0 HG13 VAL A 36 -3.752 -3.815 0.257 1.00 10.00 H new ATOM 0 HG21 VAL A 36 -3.131 -6.263 -1.492 1.00 10.00 H new ATOM 0 HG22 VAL A 36 -4.744 -5.917 -0.826 1.00 10.00 H new ATOM 0 HG23 VAL A 36 -4.538 -6.160 -2.577 1.00 10.00 H new ATOM 545 N ASN A 37 -5.669 -3.896 -4.467 1.00 10.00 N ATOM 546 CA ASN A 37 -6.330 -4.551 -5.583 1.00 10.00 C ATOM 547 C ASN A 37 -5.449 -5.696 -6.074 1.00 10.00 C ATOM 548 O ASN A 37 -4.225 -5.591 -6.064 1.00 10.00 O ATOM 549 CB ASN A 37 -6.613 -3.555 -6.706 1.00 10.00 C ATOM 550 CG ASN A 37 -7.405 -2.344 -6.221 1.00 10.00 C ATOM 551 OD1 ASN A 37 -8.470 -2.491 -5.632 1.00 10.00 O ATOM 552 ND2 ASN A 37 -6.894 -1.145 -6.471 1.00 10.00 N ATOM 0 H ASN A 37 -4.962 -3.215 -4.743 1.00 10.00 H new ATOM 0 HA ASN A 37 -7.290 -4.950 -5.256 1.00 10.00 H new ATOM 0 HB2 ASN A 37 -5.670 -3.220 -7.138 1.00 10.00 H new ATOM 0 HB3 ASN A 37 -7.168 -4.055 -7.500 1.00 10.00 H new ATOM 0 HD21 ASN A 37 -7.390 -0.306 -6.170 1.00 10.00 H new ATOM 0 HD22 ASN A 37 -6.005 -1.062 -6.964 1.00 10.00 H new ATOM 559 N PHE A 38 -6.074 -6.799 -6.491 1.00 10.00 N ATOM 560 CA PHE A 38 -5.415 -8.081 -6.718 1.00 10.00 C ATOM 561 C PHE A 38 -5.685 -8.592 -8.136 1.00 10.00 C ATOM 562 O PHE A 38 -5.949 -9.774 -8.345 1.00 10.00 O ATOM 563 CB PHE A 38 -5.884 -9.058 -5.633 1.00 10.00 C ATOM 564 CG PHE A 38 -7.376 -9.048 -5.350 1.00 10.00 C ATOM 565 CD1 PHE A 38 -7.903 -8.176 -4.376 1.00 10.00 C ATOM 566 CD2 PHE A 38 -8.241 -9.899 -6.064 1.00 10.00 C ATOM 567 CE1 PHE A 38 -9.285 -8.146 -4.128 1.00 10.00 C ATOM 568 CE2 PHE A 38 -9.623 -9.880 -5.803 1.00 10.00 C ATOM 569 CZ PHE A 38 -10.145 -9.002 -4.838 1.00 10.00 C ATOM 0 H PHE A 38 -7.075 -6.823 -6.684 1.00 10.00 H new ATOM 0 HA PHE A 38 -4.333 -7.974 -6.645 1.00 10.00 H new ATOM 0 HB2 PHE A 38 -5.593 -10.067 -5.926 1.00 10.00 H new ATOM 0 HB3 PHE A 38 -5.354 -8.830 -4.708 1.00 10.00 H new ATOM 0 HD1 PHE A 38 -7.242 -7.529 -3.819 1.00 10.00 H new ATOM 0 HD2 PHE A 38 -7.843 -10.567 -6.813 1.00 10.00 H new ATOM 0 HE1 PHE A 38 -9.687 -7.465 -3.392 1.00 10.00 H new ATOM 0 HE2 PHE A 38 -10.284 -10.541 -6.345 1.00 10.00 H new ATOM 0 HZ PHE A 38 -11.207 -8.985 -4.642 1.00 10.00 H new ATOM 579 N ALA A 39 -5.602 -7.678 -9.102 1.00 10.00 N ATOM 580 CA ALA A 39 -5.836 -7.911 -10.524 1.00 10.00 C ATOM 581 C ALA A 39 -5.530 -6.627 -11.294 1.00 10.00 C ATOM 582 O ALA A 39 -4.963 -6.654 -12.379 1.00 10.00 O ATOM 583 CB ALA A 39 -7.295 -8.318 -10.767 1.00 10.00 C ATOM 0 H ALA A 39 -5.358 -6.708 -8.903 1.00 10.00 H new ATOM 0 HA ALA A 39 -5.188 -8.718 -10.866 1.00 10.00 H new ATOM 0 HB1 ALA A 39 -7.453 -8.488 -11.832 1.00 10.00 H new ATOM 0 HB2 ALA A 39 -7.514 -9.233 -10.217 1.00 10.00 H new ATOM 0 HB3 ALA A 39 -7.957 -7.522 -10.425 1.00 10.00 H new ATOM 589 N LEU A 40 -5.931 -5.492 -10.712 1.00 10.00 N ATOM 590 CA LEU A 40 -5.800 -4.172 -11.310 1.00 10.00 C ATOM 591 C LEU A 40 -4.357 -3.660 -11.226 1.00 10.00 C ATOM 592 O LEU A 40 -3.983 -2.758 -11.971 1.00 10.00 O ATOM 593 CB LEU A 40 -6.755 -3.197 -10.604 1.00 10.00 C ATOM 594 CG LEU A 40 -8.165 -3.753 -10.332 1.00 10.00 C ATOM 595 CD1 LEU A 40 -9.044 -2.616 -9.808 1.00 10.00 C ATOM 596 CD2 LEU A 40 -8.799 -4.399 -11.569 1.00 10.00 C ATOM 0 H LEU A 40 -6.366 -5.472 -9.789 1.00 10.00 H new ATOM 0 HA LEU A 40 -6.062 -4.242 -12.366 1.00 10.00 H new ATOM 0 HB2 LEU A 40 -6.309 -2.898 -9.655 1.00 10.00 H new ATOM 0 HB3 LEU A 40 -6.846 -2.297 -11.212 1.00 10.00 H new ATOM 0 HG LEU A 40 -8.081 -4.545 -9.588 1.00 10.00 H new ATOM 0 HD11 LEU A 40 -10.047 -2.993 -9.610 1.00 10.00 H new ATOM 0 HD12 LEU A 40 -8.617 -2.221 -8.886 1.00 10.00 H new ATOM 0 HD13 LEU A 40 -9.095 -1.823 -10.554 1.00 10.00 H new ATOM 0 HD21 LEU A 40 -9.791 -4.772 -11.316 1.00 10.00 H new ATOM 0 HD22 LEU A 40 -8.882 -3.658 -12.364 1.00 10.00 H new ATOM 0 HD23 LEU A 40 -8.175 -5.226 -11.907 1.00 10.00 H new ATOM 608 N GLU A 41 -3.576 -4.217 -10.294 1.00 10.00 N ATOM 609 CA GLU A 41 -2.182 -3.874 -10.041 1.00 10.00 C ATOM 610 C GLU A 41 -2.079 -2.425 -9.569 1.00 10.00 C ATOM 611 O GLU A 41 -1.256 -1.640 -10.034 1.00 10.00 O ATOM 612 CB GLU A 41 -1.281 -4.225 -11.233 1.00 10.00 C ATOM 613 CG GLU A 41 -1.344 -5.736 -11.502 1.00 10.00 C ATOM 614 CD GLU A 41 -0.341 -6.199 -12.549 1.00 10.00 C ATOM 615 OE1 GLU A 41 0.778 -5.647 -12.570 1.00 10.00 O ATOM 616 OE2 GLU A 41 -0.696 -7.163 -13.265 1.00 10.00 O ATOM 0 H GLU A 41 -3.917 -4.950 -9.672 1.00 10.00 H new ATOM 0 HA GLU A 41 -1.799 -4.489 -9.227 1.00 10.00 H new ATOM 0 HB2 GLU A 41 -1.601 -3.675 -12.118 1.00 10.00 H new ATOM 0 HB3 GLU A 41 -0.254 -3.925 -11.026 1.00 10.00 H new ATOM 0 HG2 GLU A 41 -1.162 -6.273 -10.571 1.00 10.00 H new ATOM 0 HG3 GLU A 41 -2.350 -5.999 -11.830 1.00 10.00 H new ATOM 623 N THR A 42 -2.918 -2.114 -8.581 1.00 10.00 N ATOM 624 CA THR A 42 -2.960 -0.861 -7.861 1.00 10.00 C ATOM 625 C THR A 42 -3.156 -1.205 -6.383 1.00 10.00 C ATOM 626 O THR A 42 -4.010 -2.021 -6.035 1.00 10.00 O ATOM 627 CB THR A 42 -4.095 0.011 -8.413 1.00 10.00 C ATOM 628 OG1 THR A 42 -5.250 -0.769 -8.651 1.00 10.00 O ATOM 629 CG2 THR A 42 -3.674 0.682 -9.725 1.00 10.00 C ATOM 0 H THR A 42 -3.622 -2.773 -8.250 1.00 10.00 H new ATOM 0 HA THR A 42 -2.041 -0.288 -7.979 1.00 10.00 H new ATOM 0 HB THR A 42 -4.316 0.776 -7.668 1.00 10.00 H new ATOM 0 HG1 THR A 42 -5.965 -0.197 -9.001 1.00 10.00 H new ATOM 0 HG21 THR A 42 -4.494 1.296 -10.099 1.00 10.00 H new ATOM 0 HG22 THR A 42 -2.801 1.311 -9.548 1.00 10.00 H new ATOM 0 HG23 THR A 42 -3.427 -0.082 -10.462 1.00 10.00 H new ATOM 637 N VAL A 43 -2.353 -0.611 -5.505 1.00 10.00 N ATOM 638 CA VAL A 43 -2.619 -0.644 -4.074 1.00 10.00 C ATOM 639 C VAL A 43 -3.409 0.620 -3.760 1.00 10.00 C ATOM 640 O VAL A 43 -3.169 1.670 -4.358 1.00 10.00 O ATOM 641 CB VAL A 43 -1.304 -0.758 -3.286 1.00 10.00 C ATOM 642 CG1 VAL A 43 -1.425 -0.373 -1.808 1.00 10.00 C ATOM 643 CG2 VAL A 43 -0.734 -2.179 -3.381 1.00 10.00 C ATOM 0 H VAL A 43 -1.509 -0.099 -5.763 1.00 10.00 H new ATOM 0 HA VAL A 43 -3.201 -1.516 -3.778 1.00 10.00 H new ATOM 0 HB VAL A 43 -0.631 -0.039 -3.753 1.00 10.00 H new ATOM 0 HG11 VAL A 43 -0.455 -0.481 -1.323 1.00 10.00 H new ATOM 0 HG12 VAL A 43 -1.758 0.662 -1.728 1.00 10.00 H new ATOM 0 HG13 VAL A 43 -2.149 -1.026 -1.320 1.00 10.00 H new ATOM 0 HG21 VAL A 43 0.196 -2.236 -2.816 1.00 10.00 H new ATOM 0 HG22 VAL A 43 -1.453 -2.888 -2.969 1.00 10.00 H new ATOM 0 HG23 VAL A 43 -0.540 -2.424 -4.425 1.00 10.00 H new ATOM 653 N THR A 44 -4.347 0.503 -2.824 1.00 10.00 N ATOM 654 CA THR A 44 -5.215 1.562 -2.370 1.00 10.00 C ATOM 655 C THR A 44 -5.127 1.535 -0.847 1.00 10.00 C ATOM 656 O THR A 44 -5.370 0.484 -0.251 1.00 10.00 O ATOM 657 CB THR A 44 -6.631 1.246 -2.872 1.00 10.00 C ATOM 658 OG1 THR A 44 -6.667 1.164 -4.289 1.00 10.00 O ATOM 659 CG2 THR A 44 -7.633 2.278 -2.367 1.00 10.00 C ATOM 0 H THR A 44 -4.523 -0.380 -2.344 1.00 10.00 H new ATOM 0 HA THR A 44 -4.943 2.551 -2.738 1.00 10.00 H new ATOM 0 HB THR A 44 -6.914 0.273 -2.471 1.00 10.00 H new ATOM 0 HG1 THR A 44 -7.580 0.960 -4.582 1.00 10.00 H new ATOM 0 HG21 THR A 44 -8.628 2.031 -2.737 1.00 10.00 H new ATOM 0 HG22 THR A 44 -7.640 2.275 -1.277 1.00 10.00 H new ATOM 0 HG23 THR A 44 -7.348 3.267 -2.725 1.00 10.00 H new ATOM 667 N VAL A 45 -4.747 2.649 -0.216 1.00 10.00 N ATOM 668 CA VAL A 45 -4.705 2.769 1.235 1.00 10.00 C ATOM 669 C VAL A 45 -5.598 3.928 1.654 1.00 10.00 C ATOM 670 O VAL A 45 -5.752 4.903 0.918 1.00 10.00 O ATOM 671 CB VAL A 45 -3.260 2.963 1.726 1.00 10.00 C ATOM 672 CG1 VAL A 45 -3.155 3.000 3.254 1.00 10.00 C ATOM 673 CG2 VAL A 45 -2.378 1.814 1.237 1.00 10.00 C ATOM 0 H VAL A 45 -4.459 3.496 -0.705 1.00 10.00 H new ATOM 0 HA VAL A 45 -5.074 1.851 1.693 1.00 10.00 H new ATOM 0 HB VAL A 45 -2.930 3.921 1.324 1.00 10.00 H new ATOM 0 HG11 VAL A 45 -2.113 3.139 3.544 1.00 10.00 H new ATOM 0 HG12 VAL A 45 -3.752 3.826 3.640 1.00 10.00 H new ATOM 0 HG13 VAL A 45 -3.524 2.061 3.667 1.00 10.00 H new ATOM 0 HG21 VAL A 45 -1.358 1.962 1.591 1.00 10.00 H new ATOM 0 HG22 VAL A 45 -2.762 0.870 1.624 1.00 10.00 H new ATOM 0 HG23 VAL A 45 -2.384 1.789 0.147 1.00 10.00 H new ATOM 683 N GLU A 46 -6.165 3.806 2.853 1.00 10.00 N ATOM 684 CA GLU A 46 -6.720 4.902 3.602 1.00 10.00 C ATOM 685 C GLU A 46 -5.890 5.040 4.880 1.00 10.00 C ATOM 686 O GLU A 46 -5.949 4.175 5.763 1.00 10.00 O ATOM 687 CB GLU A 46 -8.191 4.634 3.895 1.00 10.00 C ATOM 688 CG GLU A 46 -8.914 5.972 4.027 1.00 10.00 C ATOM 689 CD GLU A 46 -10.285 5.732 4.602 1.00 10.00 C ATOM 690 OE1 GLU A 46 -11.124 5.264 3.799 1.00 10.00 O ATOM 691 OE2 GLU A 46 -10.416 5.945 5.827 1.00 10.00 O ATOM 0 H GLU A 46 -6.247 2.910 3.333 1.00 10.00 H new ATOM 0 HA GLU A 46 -6.679 5.837 3.043 1.00 10.00 H new ATOM 0 HB2 GLU A 46 -8.634 4.042 3.094 1.00 10.00 H new ATOM 0 HB3 GLU A 46 -8.294 4.056 4.813 1.00 10.00 H new ATOM 0 HG2 GLU A 46 -8.348 6.644 4.671 1.00 10.00 H new ATOM 0 HG3 GLU A 46 -8.993 6.455 3.053 1.00 10.00 H new ATOM 698 N TYR A 47 -5.086 6.102 4.961 1.00 10.00 N ATOM 699 CA TYR A 47 -4.215 6.359 6.096 1.00 10.00 C ATOM 700 C TYR A 47 -4.105 7.858 6.302 1.00 10.00 C ATOM 701 O TYR A 47 -4.473 8.634 5.428 1.00 10.00 O ATOM 702 CB TYR A 47 -2.831 5.717 5.911 1.00 10.00 C ATOM 703 CG TYR A 47 -1.830 6.490 5.069 1.00 10.00 C ATOM 704 CD1 TYR A 47 -1.960 6.588 3.669 1.00 10.00 C ATOM 705 CD2 TYR A 47 -0.771 7.156 5.712 1.00 10.00 C ATOM 706 CE1 TYR A 47 -1.082 7.409 2.939 1.00 10.00 C ATOM 707 CE2 TYR A 47 0.070 8.014 4.989 1.00 10.00 C ATOM 708 CZ TYR A 47 -0.108 8.165 3.607 1.00 10.00 C ATOM 709 OH TYR A 47 0.645 9.070 2.922 1.00 10.00 O ATOM 0 H TYR A 47 -5.025 6.811 4.230 1.00 10.00 H new ATOM 0 HA TYR A 47 -4.649 5.902 6.985 1.00 10.00 H new ATOM 0 HB2 TYR A 47 -2.395 5.557 6.897 1.00 10.00 H new ATOM 0 HB3 TYR A 47 -2.969 4.734 5.460 1.00 10.00 H new ATOM 0 HD1 TYR A 47 -2.733 6.033 3.158 1.00 10.00 H new ATOM 0 HD2 TYR A 47 -0.605 7.006 6.768 1.00 10.00 H new ATOM 0 HE1 TYR A 47 -1.158 7.457 1.863 1.00 10.00 H new ATOM 0 HE2 TYR A 47 0.853 8.557 5.496 1.00 10.00 H new ATOM 0 HH TYR A 47 1.270 9.507 3.537 1.00 10.00 H new ATOM 719 N ASN A 48 -3.614 8.259 7.467 1.00 10.00 N ATOM 720 CA ASN A 48 -3.344 9.656 7.762 1.00 10.00 C ATOM 721 C ASN A 48 -1.879 9.978 7.469 1.00 10.00 C ATOM 722 O ASN A 48 -0.991 9.293 7.973 1.00 10.00 O ATOM 723 CB ASN A 48 -3.765 10.020 9.193 1.00 10.00 C ATOM 724 CG ASN A 48 -2.952 9.406 10.335 1.00 10.00 C ATOM 725 OD1 ASN A 48 -1.748 9.610 10.466 1.00 10.00 O ATOM 726 ND2 ASN A 48 -3.635 8.710 11.241 1.00 10.00 N ATOM 0 H ASN A 48 -3.392 7.623 8.233 1.00 10.00 H new ATOM 0 HA ASN A 48 -3.951 10.282 7.108 1.00 10.00 H new ATOM 0 HB2 ASN A 48 -3.723 11.105 9.293 1.00 10.00 H new ATOM 0 HB3 ASN A 48 -4.807 9.728 9.324 1.00 10.00 H new ATOM 0 HD21 ASN A 48 -3.159 8.336 12.062 1.00 10.00 H new ATOM 0 HD22 ASN A 48 -4.635 8.551 11.115 1.00 10.00 H new ATOM 733 N PRO A 49 -1.575 11.027 6.692 1.00 10.00 N ATOM 734 CA PRO A 49 -0.218 11.528 6.581 1.00 10.00 C ATOM 735 C PRO A 49 0.106 12.353 7.834 1.00 10.00 C ATOM 736 O PRO A 49 0.439 13.531 7.728 1.00 10.00 O ATOM 737 CB PRO A 49 -0.218 12.347 5.285 1.00 10.00 C ATOM 738 CG PRO A 49 -1.634 12.919 5.242 1.00 10.00 C ATOM 739 CD PRO A 49 -2.485 11.812 5.869 1.00 10.00 C ATOM 0 HA PRO A 49 0.551 10.757 6.531 1.00 10.00 H new ATOM 0 HB2 PRO A 49 0.535 13.135 5.305 1.00 10.00 H new ATOM 0 HB3 PRO A 49 -0.007 11.726 4.415 1.00 10.00 H new ATOM 0 HG2 PRO A 49 -1.708 13.850 5.804 1.00 10.00 H new ATOM 0 HG3 PRO A 49 -1.948 13.137 4.221 1.00 10.00 H new ATOM 0 HD2 PRO A 49 -3.291 12.232 6.470 1.00 10.00 H new ATOM 0 HD3 PRO A 49 -2.949 11.193 5.101 1.00 10.00 H new ATOM 747 N LYS A 50 -0.012 11.746 9.026 1.00 10.00 N ATOM 748 CA LYS A 50 0.325 12.401 10.293 1.00 10.00 C ATOM 749 C LYS A 50 1.353 11.555 11.034 1.00 10.00 C ATOM 750 O LYS A 50 2.325 12.086 11.566 1.00 10.00 O ATOM 751 CB LYS A 50 -0.944 12.755 11.112 1.00 10.00 C ATOM 752 CG LYS A 50 -1.206 11.980 12.419 1.00 10.00 C ATOM 753 CD LYS A 50 -0.367 12.448 13.621 1.00 10.00 C ATOM 754 CE LYS A 50 -0.197 11.274 14.601 1.00 10.00 C ATOM 755 NZ LYS A 50 0.508 11.657 15.840 1.00 10.00 N ATOM 0 H LYS A 50 -0.344 10.788 9.135 1.00 10.00 H new ATOM 0 HA LYS A 50 0.791 13.368 10.106 1.00 10.00 H new ATOM 0 HB2 LYS A 50 -0.897 13.816 11.358 1.00 10.00 H new ATOM 0 HB3 LYS A 50 -1.809 12.616 10.463 1.00 10.00 H new ATOM 0 HG2 LYS A 50 -2.262 12.069 12.673 1.00 10.00 H new ATOM 0 HG3 LYS A 50 -1.008 10.922 12.245 1.00 10.00 H new ATOM 0 HD2 LYS A 50 0.608 12.802 13.285 1.00 10.00 H new ATOM 0 HD3 LYS A 50 -0.856 13.286 14.118 1.00 10.00 H new ATOM 0 HE2 LYS A 50 -1.179 10.875 14.856 1.00 10.00 H new ATOM 0 HE3 LYS A 50 0.354 10.473 14.108 1.00 10.00 H new ATOM 0 HZ1 LYS A 50 0.593 10.827 16.461 1.00 10.00 H new ATOM 0 HZ2 LYS A 50 1.457 12.012 15.604 1.00 10.00 H new ATOM 0 HZ3 LYS A 50 -0.029 12.402 16.329 1.00 10.00 H new ATOM 769 N GLU A 51 1.119 10.244 11.090 1.00 10.00 N ATOM 770 CA GLU A 51 1.980 9.315 11.788 1.00 10.00 C ATOM 771 C GLU A 51 3.060 8.791 10.830 1.00 10.00 C ATOM 772 O GLU A 51 4.249 8.996 11.061 1.00 10.00 O ATOM 773 CB GLU A 51 1.064 8.228 12.356 1.00 10.00 C ATOM 774 CG GLU A 51 1.721 7.418 13.471 1.00 10.00 C ATOM 775 CD GLU A 51 2.519 6.252 12.900 1.00 10.00 C ATOM 776 OE1 GLU A 51 1.936 5.535 12.051 1.00 10.00 O ATOM 777 OE2 GLU A 51 3.677 6.097 13.335 1.00 10.00 O ATOM 0 H GLU A 51 0.315 9.802 10.644 1.00 10.00 H new ATOM 0 HA GLU A 51 2.529 9.773 12.611 1.00 10.00 H new ATOM 0 HB2 GLU A 51 0.154 8.690 12.738 1.00 10.00 H new ATOM 0 HB3 GLU A 51 0.766 7.555 11.552 1.00 10.00 H new ATOM 0 HG2 GLU A 51 2.378 8.062 14.055 1.00 10.00 H new ATOM 0 HG3 GLU A 51 0.957 7.042 14.151 1.00 10.00 H new ATOM 784 N ALA A 52 2.632 8.161 9.733 1.00 10.00 N ATOM 785 CA ALA A 52 3.492 7.619 8.684 1.00 10.00 C ATOM 786 C ALA A 52 3.315 8.435 7.405 1.00 10.00 C ATOM 787 O ALA A 52 2.454 9.313 7.340 1.00 10.00 O ATOM 788 CB ALA A 52 3.111 6.167 8.445 1.00 10.00 C ATOM 0 H ALA A 52 1.641 8.010 9.546 1.00 10.00 H new ATOM 0 HA ALA A 52 4.538 7.674 8.987 1.00 10.00 H new ATOM 0 HB1 ALA A 52 3.745 5.748 7.664 1.00 10.00 H new ATOM 0 HB2 ALA A 52 3.247 5.599 9.365 1.00 10.00 H new ATOM 0 HB3 ALA A 52 2.068 6.111 8.134 1.00 10.00 H new ATOM 794 N SER A 53 4.106 8.131 6.377 1.00 10.00 N ATOM 795 CA SER A 53 4.020 8.738 5.062 1.00 10.00 C ATOM 796 C SER A 53 3.963 7.655 3.982 1.00 10.00 C ATOM 797 O SER A 53 4.109 6.460 4.243 1.00 10.00 O ATOM 798 CB SER A 53 5.237 9.651 4.863 1.00 10.00 C ATOM 799 OG SER A 53 6.406 8.879 4.668 1.00 10.00 O ATOM 0 H SER A 53 4.846 7.432 6.445 1.00 10.00 H new ATOM 0 HA SER A 53 3.109 9.331 4.983 1.00 10.00 H new ATOM 0 HB2 SER A 53 5.075 10.301 4.003 1.00 10.00 H new ATOM 0 HB3 SER A 53 5.361 10.297 5.732 1.00 10.00 H new ATOM 0 HG SER A 53 6.328 8.036 5.162 1.00 10.00 H new ATOM 805 N VAL A 54 3.812 8.103 2.735 1.00 10.00 N ATOM 806 CA VAL A 54 3.973 7.261 1.564 1.00 10.00 C ATOM 807 C VAL A 54 5.318 6.530 1.604 1.00 10.00 C ATOM 808 O VAL A 54 5.396 5.362 1.228 1.00 10.00 O ATOM 809 CB VAL A 54 3.828 8.119 0.299 1.00 10.00 C ATOM 810 CG1 VAL A 54 4.103 7.281 -0.956 1.00 10.00 C ATOM 811 CG2 VAL A 54 2.426 8.747 0.254 1.00 10.00 C ATOM 0 H VAL A 54 3.572 9.070 2.515 1.00 10.00 H new ATOM 0 HA VAL A 54 3.196 6.497 1.553 1.00 10.00 H new ATOM 0 HB VAL A 54 4.564 8.922 0.326 1.00 10.00 H new ATOM 0 HG11 VAL A 54 3.995 7.907 -1.842 1.00 10.00 H new ATOM 0 HG12 VAL A 54 5.117 6.884 -0.913 1.00 10.00 H new ATOM 0 HG13 VAL A 54 3.392 6.456 -1.006 1.00 10.00 H new ATOM 0 HG21 VAL A 54 2.328 9.355 -0.646 1.00 10.00 H new ATOM 0 HG22 VAL A 54 1.674 7.958 0.242 1.00 10.00 H new ATOM 0 HG23 VAL A 54 2.280 9.374 1.133 1.00 10.00 H new ATOM 821 N SER A 55 6.382 7.210 2.042 1.00 10.00 N ATOM 822 CA SER A 55 7.723 6.650 2.075 1.00 10.00 C ATOM 823 C SER A 55 7.789 5.379 2.922 1.00 10.00 C ATOM 824 O SER A 55 8.509 4.443 2.557 1.00 10.00 O ATOM 825 CB SER A 55 8.700 7.714 2.575 1.00 10.00 C ATOM 826 OG SER A 55 8.572 8.863 1.756 1.00 10.00 O ATOM 0 H SER A 55 6.330 8.169 2.384 1.00 10.00 H new ATOM 0 HA SER A 55 8.006 6.356 1.064 1.00 10.00 H new ATOM 0 HB2 SER A 55 8.488 7.964 3.614 1.00 10.00 H new ATOM 0 HB3 SER A 55 9.722 7.336 2.540 1.00 10.00 H new ATOM 0 HG SER A 55 9.192 9.556 2.066 1.00 10.00 H new ATOM 832 N ASP A 56 7.042 5.348 4.030 1.00 10.00 N ATOM 833 CA ASP A 56 6.994 4.224 4.944 1.00 10.00 C ATOM 834 C ASP A 56 6.289 3.060 4.266 1.00 10.00 C ATOM 835 O ASP A 56 6.858 1.984 4.104 1.00 10.00 O ATOM 836 CB ASP A 56 6.245 4.632 6.217 1.00 10.00 C ATOM 837 CG ASP A 56 6.876 5.842 6.880 1.00 10.00 C ATOM 838 OD1 ASP A 56 6.492 6.955 6.457 1.00 10.00 O ATOM 839 OD2 ASP A 56 7.736 5.640 7.758 1.00 10.00 O ATOM 0 H ASP A 56 6.445 6.124 4.314 1.00 10.00 H new ATOM 0 HA ASP A 56 8.005 3.920 5.214 1.00 10.00 H new ATOM 0 HB2 ASP A 56 5.206 4.852 5.972 1.00 10.00 H new ATOM 0 HB3 ASP A 56 6.237 3.797 6.917 1.00 10.00 H new ATOM 844 N LEU A 57 5.041 3.269 3.843 1.00 10.00 N ATOM 845 CA LEU A 57 4.264 2.177 3.272 1.00 10.00 C ATOM 846 C LEU A 57 4.912 1.652 1.983 1.00 10.00 C ATOM 847 O LEU A 57 5.027 0.440 1.801 1.00 10.00 O ATOM 848 CB LEU A 57 2.778 2.540 3.173 1.00 10.00 C ATOM 849 CG LEU A 57 2.465 3.668 2.185 1.00 10.00 C ATOM 850 CD1 LEU A 57 2.212 3.083 0.794 1.00 10.00 C ATOM 851 CD2 LEU A 57 1.262 4.515 2.624 1.00 10.00 C ATOM 0 H LEU A 57 4.558 4.166 3.885 1.00 10.00 H new ATOM 0 HA LEU A 57 4.282 1.324 3.950 1.00 10.00 H new ATOM 0 HB2 LEU A 57 2.219 1.652 2.880 1.00 10.00 H new ATOM 0 HB3 LEU A 57 2.421 2.830 4.161 1.00 10.00 H new ATOM 0 HG LEU A 57 3.332 4.328 2.160 1.00 10.00 H new ATOM 0 HD11 LEU A 57 1.990 3.889 0.095 1.00 10.00 H new ATOM 0 HD12 LEU A 57 3.099 2.546 0.458 1.00 10.00 H new ATOM 0 HD13 LEU A 57 1.367 2.396 0.836 1.00 10.00 H new ATOM 0 HD21 LEU A 57 1.082 5.300 1.890 1.00 10.00 H new ATOM 0 HD22 LEU A 57 0.379 3.881 2.700 1.00 10.00 H new ATOM 0 HD23 LEU A 57 1.469 4.966 3.594 1.00 10.00 H new ATOM 863 N LYS A 58 5.419 2.542 1.120 1.00 10.00 N ATOM 864 CA LYS A 58 6.386 2.187 0.096 1.00 10.00 C ATOM 865 C LYS A 58 7.426 1.203 0.620 1.00 10.00 C ATOM 866 O LYS A 58 7.596 0.154 0.021 1.00 10.00 O ATOM 867 CB LYS A 58 7.065 3.458 -0.413 1.00 10.00 C ATOM 868 CG LYS A 58 8.183 3.219 -1.436 1.00 10.00 C ATOM 869 CD LYS A 58 9.227 4.340 -1.331 1.00 10.00 C ATOM 870 CE LYS A 58 10.517 3.964 -0.579 1.00 10.00 C ATOM 871 NZ LYS A 58 10.280 3.412 0.770 1.00 10.00 N ATOM 0 H LYS A 58 5.163 3.529 1.120 1.00 10.00 H new ATOM 0 HA LYS A 58 5.860 1.695 -0.722 1.00 10.00 H new ATOM 0 HB2 LYS A 58 6.310 4.102 -0.864 1.00 10.00 H new ATOM 0 HB3 LYS A 58 7.479 3.999 0.438 1.00 10.00 H new ATOM 0 HG2 LYS A 58 8.654 2.252 -1.256 1.00 10.00 H new ATOM 0 HG3 LYS A 58 7.767 3.189 -2.443 1.00 10.00 H new ATOM 0 HD2 LYS A 58 9.493 4.663 -2.338 1.00 10.00 H new ATOM 0 HD3 LYS A 58 8.770 5.195 -0.832 1.00 10.00 H new ATOM 0 HE2 LYS A 58 11.070 3.233 -1.169 1.00 10.00 H new ATOM 0 HE3 LYS A 58 11.148 4.849 -0.494 1.00 10.00 H new ATOM 0 HZ1 LYS A 58 11.067 3.676 1.396 1.00 10.00 H new ATOM 0 HZ2 LYS A 58 9.391 3.795 1.151 1.00 10.00 H new ATOM 0 HZ3 LYS A 58 10.215 2.376 0.714 1.00 10.00 H new ATOM 885 N GLU A 59 8.166 1.549 1.681 1.00 10.00 N ATOM 886 CA GLU A 59 9.210 0.687 2.215 1.00 10.00 C ATOM 887 C GLU A 59 8.637 -0.679 2.575 1.00 10.00 C ATOM 888 O GLU A 59 9.212 -1.719 2.256 1.00 10.00 O ATOM 889 CB GLU A 59 9.831 1.360 3.444 1.00 10.00 C ATOM 890 CG GLU A 59 11.228 0.799 3.725 1.00 10.00 C ATOM 891 CD GLU A 59 11.281 0.016 5.035 1.00 10.00 C ATOM 892 OE1 GLU A 59 10.582 -1.019 5.113 1.00 10.00 O ATOM 893 OE2 GLU A 59 12.014 0.473 5.935 1.00 10.00 O ATOM 0 H GLU A 59 8.054 2.429 2.185 1.00 10.00 H new ATOM 0 HA GLU A 59 9.983 0.535 1.461 1.00 10.00 H new ATOM 0 HB2 GLU A 59 9.892 2.436 3.282 1.00 10.00 H new ATOM 0 HB3 GLU A 59 9.190 1.204 4.312 1.00 10.00 H new ATOM 0 HG2 GLU A 59 11.529 0.150 2.903 1.00 10.00 H new ATOM 0 HG3 GLU A 59 11.946 1.618 3.764 1.00 10.00 H new ATOM 900 N ALA A 60 7.454 -0.659 3.187 1.00 10.00 N ATOM 901 CA ALA A 60 6.762 -1.875 3.579 1.00 10.00 C ATOM 902 C ALA A 60 6.576 -2.799 2.369 1.00 10.00 C ATOM 903 O ALA A 60 6.885 -3.989 2.447 1.00 10.00 O ATOM 904 CB ALA A 60 5.444 -1.540 4.284 1.00 10.00 C ATOM 0 H ALA A 60 6.954 0.199 3.422 1.00 10.00 H new ATOM 0 HA ALA A 60 7.371 -2.421 4.300 1.00 10.00 H new ATOM 0 HB1 ALA A 60 4.940 -2.463 4.570 1.00 10.00 H new ATOM 0 HB2 ALA A 60 5.649 -0.947 5.175 1.00 10.00 H new ATOM 0 HB3 ALA A 60 4.804 -0.971 3.609 1.00 10.00 H new ATOM 910 N VAL A 61 6.108 -2.249 1.242 1.00 10.00 N ATOM 911 CA VAL A 61 6.057 -2.989 -0.019 1.00 10.00 C ATOM 912 C VAL A 61 7.467 -3.320 -0.535 1.00 10.00 C ATOM 913 O VAL A 61 7.710 -4.421 -1.016 1.00 10.00 O ATOM 914 CB VAL A 61 5.250 -2.221 -1.082 1.00 10.00 C ATOM 915 CG1 VAL A 61 5.151 -3.051 -2.373 1.00 10.00 C ATOM 916 CG2 VAL A 61 3.828 -1.906 -0.601 1.00 10.00 C ATOM 0 H VAL A 61 5.759 -1.292 1.180 1.00 10.00 H new ATOM 0 HA VAL A 61 5.546 -3.932 0.177 1.00 10.00 H new ATOM 0 HB VAL A 61 5.776 -1.284 -1.267 1.00 10.00 H new ATOM 0 HG11 VAL A 61 4.578 -2.498 -3.118 1.00 10.00 H new ATOM 0 HG12 VAL A 61 6.152 -3.247 -2.757 1.00 10.00 H new ATOM 0 HG13 VAL A 61 4.652 -3.997 -2.160 1.00 10.00 H new ATOM 0 HG21 VAL A 61 3.292 -1.364 -1.380 1.00 10.00 H new ATOM 0 HG22 VAL A 61 3.304 -2.836 -0.380 1.00 10.00 H new ATOM 0 HG23 VAL A 61 3.876 -1.294 0.300 1.00 10.00 H new ATOM 926 N ASP A 62 8.408 -2.382 -0.450 1.00 10.00 N ATOM 927 CA ASP A 62 9.728 -2.514 -1.048 1.00 10.00 C ATOM 928 C ASP A 62 10.412 -3.759 -0.485 1.00 10.00 C ATOM 929 O ASP A 62 10.935 -4.598 -1.219 1.00 10.00 O ATOM 930 CB ASP A 62 10.536 -1.230 -0.801 1.00 10.00 C ATOM 931 CG ASP A 62 11.680 -1.020 -1.781 1.00 10.00 C ATOM 932 OD1 ASP A 62 11.827 -1.845 -2.709 1.00 10.00 O ATOM 933 OD2 ASP A 62 12.358 0.017 -1.621 1.00 10.00 O ATOM 0 H ASP A 62 8.270 -1.500 0.043 1.00 10.00 H new ATOM 0 HA ASP A 62 9.652 -2.642 -2.128 1.00 10.00 H new ATOM 0 HB2 ASP A 62 9.863 -0.374 -0.855 1.00 10.00 H new ATOM 0 HB3 ASP A 62 10.939 -1.256 0.212 1.00 10.00 H new ATOM 938 N LYS A 63 10.320 -3.912 0.839 1.00 10.00 N ATOM 939 CA LYS A 63 10.864 -5.040 1.572 1.00 10.00 C ATOM 940 C LYS A 63 10.189 -6.364 1.195 1.00 10.00 C ATOM 941 O LYS A 63 10.826 -7.412 1.302 1.00 10.00 O ATOM 942 CB LYS A 63 10.786 -4.760 3.079 1.00 10.00 C ATOM 943 CG LYS A 63 11.669 -5.762 3.842 1.00 10.00 C ATOM 944 CD LYS A 63 11.735 -5.448 5.340 1.00 10.00 C ATOM 945 CE LYS A 63 12.844 -6.256 6.038 1.00 10.00 C ATOM 946 NZ LYS A 63 12.707 -7.717 5.843 1.00 10.00 N ATOM 0 H LYS A 63 9.852 -3.233 1.439 1.00 10.00 H new ATOM 0 HA LYS A 63 11.911 -5.156 1.293 1.00 10.00 H new ATOM 0 HB2 LYS A 63 11.114 -3.741 3.286 1.00 10.00 H new ATOM 0 HB3 LYS A 63 9.754 -4.838 3.420 1.00 10.00 H new ATOM 0 HG2 LYS A 63 11.279 -6.770 3.700 1.00 10.00 H new ATOM 0 HG3 LYS A 63 12.676 -5.748 3.425 1.00 10.00 H new ATOM 0 HD2 LYS A 63 11.916 -4.382 5.482 1.00 10.00 H new ATOM 0 HD3 LYS A 63 10.774 -5.673 5.802 1.00 10.00 H new ATOM 0 HE2 LYS A 63 13.814 -5.934 5.659 1.00 10.00 H new ATOM 0 HE3 LYS A 63 12.830 -6.035 7.105 1.00 10.00 H new ATOM 0 HZ1 LYS A 63 13.396 -8.213 6.443 1.00 10.00 H new ATOM 0 HZ2 LYS A 63 11.745 -8.013 6.104 1.00 10.00 H new ATOM 0 HZ3 LYS A 63 12.883 -7.952 4.845 1.00 10.00 H new ATOM 960 N LEU A 64 8.923 -6.352 0.759 1.00 10.00 N ATOM 961 CA LEU A 64 8.293 -7.518 0.165 1.00 10.00 C ATOM 962 C LEU A 64 9.100 -8.017 -1.041 1.00 10.00 C ATOM 963 O LEU A 64 9.064 -9.206 -1.347 1.00 10.00 O ATOM 964 CB LEU A 64 6.841 -7.194 -0.252 1.00 10.00 C ATOM 965 CG LEU A 64 5.724 -7.942 0.477 1.00 10.00 C ATOM 966 CD1 LEU A 64 6.051 -9.424 0.615 1.00 10.00 C ATOM 967 CD2 LEU A 64 5.436 -7.292 1.834 1.00 10.00 C ATOM 0 H LEU A 64 8.317 -5.534 0.812 1.00 10.00 H new ATOM 0 HA LEU A 64 8.270 -8.312 0.912 1.00 10.00 H new ATOM 0 HB2 LEU A 64 6.679 -6.125 -0.113 1.00 10.00 H new ATOM 0 HB3 LEU A 64 6.743 -7.395 -1.319 1.00 10.00 H new ATOM 0 HG LEU A 64 4.816 -7.871 -0.122 1.00 10.00 H new ATOM 0 HD11 LEU A 64 5.238 -9.929 1.137 1.00 10.00 H new ATOM 0 HD12 LEU A 64 6.174 -9.863 -0.375 1.00 10.00 H new ATOM 0 HD13 LEU A 64 6.975 -9.542 1.182 1.00 10.00 H new ATOM 0 HD21 LEU A 64 4.638 -7.839 2.337 1.00 10.00 H new ATOM 0 HD22 LEU A 64 6.336 -7.317 2.448 1.00 10.00 H new ATOM 0 HD23 LEU A 64 5.128 -6.257 1.684 1.00 10.00 H new ATOM 979 N GLY A 65 9.816 -7.118 -1.725 1.00 10.00 N ATOM 980 CA GLY A 65 10.708 -7.433 -2.828 1.00 10.00 C ATOM 981 C GLY A 65 10.416 -6.503 -3.999 1.00 10.00 C ATOM 982 O GLY A 65 11.323 -5.901 -4.575 1.00 10.00 O ATOM 0 H GLY A 65 9.784 -6.121 -1.513 1.00 10.00 H new ATOM 0 HA2 GLY A 65 11.746 -7.324 -2.513 1.00 10.00 H new ATOM 0 HA3 GLY A 65 10.575 -8.471 -3.132 1.00 10.00 H new ATOM 986 N TYR A 66 9.134 -6.384 -4.340 1.00 10.00 N ATOM 987 CA TYR A 66 8.626 -5.588 -5.448 1.00 10.00 C ATOM 988 C TYR A 66 8.405 -4.148 -4.991 1.00 10.00 C ATOM 989 O TYR A 66 8.418 -3.881 -3.797 1.00 10.00 O ATOM 990 CB TYR A 66 7.356 -6.241 -6.003 1.00 10.00 C ATOM 991 CG TYR A 66 6.522 -7.027 -5.007 1.00 10.00 C ATOM 992 CD1 TYR A 66 5.576 -6.379 -4.193 1.00 10.00 C ATOM 993 CD2 TYR A 66 6.739 -8.410 -4.854 1.00 10.00 C ATOM 994 CE1 TYR A 66 4.780 -7.132 -3.315 1.00 10.00 C ATOM 995 CE2 TYR A 66 5.974 -9.150 -3.938 1.00 10.00 C ATOM 996 CZ TYR A 66 4.959 -8.520 -3.204 1.00 10.00 C ATOM 997 OH TYR A 66 4.123 -9.265 -2.424 1.00 10.00 O ATOM 0 H TYR A 66 8.392 -6.861 -3.828 1.00 10.00 H new ATOM 0 HA TYR A 66 9.352 -5.553 -6.260 1.00 10.00 H new ATOM 0 HB2 TYR A 66 6.730 -5.461 -6.436 1.00 10.00 H new ATOM 0 HB3 TYR A 66 7.640 -6.909 -6.816 1.00 10.00 H new ATOM 0 HD1 TYR A 66 5.462 -5.306 -4.243 1.00 10.00 H new ATOM 0 HD2 TYR A 66 7.497 -8.904 -5.444 1.00 10.00 H new ATOM 0 HE1 TYR A 66 4.024 -6.640 -2.721 1.00 10.00 H new ATOM 0 HE2 TYR A 66 6.167 -10.203 -3.799 1.00 10.00 H new ATOM 0 HH TYR A 66 4.391 -10.207 -2.464 1.00 10.00 H new ATOM 1007 N LYS A 67 8.286 -3.207 -5.931 1.00 10.00 N ATOM 1008 CA LYS A 67 8.328 -1.781 -5.635 1.00 10.00 C ATOM 1009 C LYS A 67 6.928 -1.164 -5.728 1.00 10.00 C ATOM 1010 O LYS A 67 6.002 -1.755 -6.287 1.00 10.00 O ATOM 1011 CB LYS A 67 9.333 -1.088 -6.576 1.00 10.00 C ATOM 1012 CG LYS A 67 10.721 -0.821 -5.952 1.00 10.00 C ATOM 1013 CD LYS A 67 11.856 -1.671 -6.548 1.00 10.00 C ATOM 1014 CE LYS A 67 11.812 -3.148 -6.134 1.00 10.00 C ATOM 1015 NZ LYS A 67 12.153 -3.369 -4.713 1.00 10.00 N ATOM 0 H LYS A 67 8.158 -3.418 -6.921 1.00 10.00 H new ATOM 0 HA LYS A 67 8.668 -1.633 -4.610 1.00 10.00 H new ATOM 0 HB2 LYS A 67 9.462 -1.704 -7.466 1.00 10.00 H new ATOM 0 HB3 LYS A 67 8.908 -0.139 -6.904 1.00 10.00 H new ATOM 0 HG2 LYS A 67 10.967 0.233 -6.079 1.00 10.00 H new ATOM 0 HG3 LYS A 67 10.667 -1.009 -4.880 1.00 10.00 H new ATOM 0 HD2 LYS A 67 11.811 -1.607 -7.635 1.00 10.00 H new ATOM 0 HD3 LYS A 67 12.813 -1.247 -6.243 1.00 10.00 H new ATOM 0 HE2 LYS A 67 10.814 -3.542 -6.326 1.00 10.00 H new ATOM 0 HE3 LYS A 67 12.504 -3.714 -6.758 1.00 10.00 H new ATOM 0 HZ1 LYS A 67 11.649 -4.208 -4.362 1.00 10.00 H new ATOM 0 HZ2 LYS A 67 13.178 -3.517 -4.621 1.00 10.00 H new ATOM 0 HZ3 LYS A 67 11.872 -2.538 -4.155 1.00 10.00 H new ATOM 1029 N LEU A 68 6.798 0.036 -5.154 1.00 10.00 N ATOM 1030 CA LEU A 68 5.568 0.798 -5.017 1.00 10.00 C ATOM 1031 C LEU A 68 5.901 2.260 -5.284 1.00 10.00 C ATOM 1032 O LEU A 68 6.990 2.699 -4.910 1.00 10.00 O ATOM 1033 CB LEU A 68 5.099 0.685 -3.561 1.00 10.00 C ATOM 1034 CG LEU A 68 3.705 1.284 -3.334 1.00 10.00 C ATOM 1035 CD1 LEU A 68 2.643 0.338 -3.889 1.00 10.00 C ATOM 1036 CD2 LEU A 68 3.433 1.607 -1.868 1.00 10.00 C ATOM 0 H LEU A 68 7.599 0.523 -4.752 1.00 10.00 H new ATOM 0 HA LEU A 68 4.803 0.433 -5.702 1.00 10.00 H new ATOM 0 HB2 LEU A 68 5.090 -0.365 -3.268 1.00 10.00 H new ATOM 0 HB3 LEU A 68 5.816 1.190 -2.914 1.00 10.00 H new ATOM 0 HG LEU A 68 3.664 2.233 -3.868 1.00 10.00 H new ATOM 0 HD11 LEU A 68 1.654 0.766 -3.726 1.00 10.00 H new ATOM 0 HD12 LEU A 68 2.805 0.195 -4.957 1.00 10.00 H new ATOM 0 HD13 LEU A 68 2.710 -0.624 -3.380 1.00 10.00 H new ATOM 0 HD21 LEU A 68 2.433 2.028 -1.768 1.00 10.00 H new ATOM 0 HD22 LEU A 68 3.504 0.695 -1.275 1.00 10.00 H new ATOM 0 HD23 LEU A 68 4.168 2.329 -1.512 1.00 10.00 H new ATOM 1048 N LYS A 69 4.961 3.029 -5.835 1.00 10.00 N ATOM 1049 CA LYS A 69 5.015 4.478 -5.829 1.00 10.00 C ATOM 1050 C LYS A 69 3.598 5.023 -5.776 1.00 10.00 C ATOM 1051 O LYS A 69 2.687 4.317 -6.187 1.00 10.00 O ATOM 1052 CB LYS A 69 5.751 4.968 -7.084 1.00 10.00 C ATOM 1053 CG LYS A 69 6.667 6.152 -6.778 1.00 10.00 C ATOM 1054 CD LYS A 69 7.703 5.737 -5.724 1.00 10.00 C ATOM 1055 CE LYS A 69 9.021 6.516 -5.844 1.00 10.00 C ATOM 1056 NZ LYS A 69 8.838 7.970 -5.664 1.00 10.00 N ATOM 0 H LYS A 69 4.135 2.652 -6.301 1.00 10.00 H new ATOM 0 HA LYS A 69 5.560 4.835 -4.955 1.00 10.00 H new ATOM 0 HB2 LYS A 69 6.340 4.152 -7.502 1.00 10.00 H new ATOM 0 HB3 LYS A 69 5.024 5.258 -7.842 1.00 10.00 H new ATOM 0 HG2 LYS A 69 7.169 6.482 -7.687 1.00 10.00 H new ATOM 0 HG3 LYS A 69 6.080 6.995 -6.414 1.00 10.00 H new ATOM 0 HD2 LYS A 69 7.284 5.892 -4.730 1.00 10.00 H new ATOM 0 HD3 LYS A 69 7.907 4.671 -5.822 1.00 10.00 H new ATOM 0 HE2 LYS A 69 9.726 6.147 -5.099 1.00 10.00 H new ATOM 0 HE3 LYS A 69 9.463 6.327 -6.822 1.00 10.00 H new ATOM 0 HZ1 LYS A 69 9.757 8.449 -5.754 1.00 10.00 H new ATOM 0 HZ2 LYS A 69 8.187 8.330 -6.390 1.00 10.00 H new ATOM 0 HZ3 LYS A 69 8.442 8.156 -4.721 1.00 10.00 H new ATOM 1070 N LEU A 70 3.403 6.248 -5.271 1.00 10.00 N ATOM 1071 CA LEU A 70 2.087 6.878 -5.289 1.00 10.00 C ATOM 1072 C LEU A 70 1.661 7.097 -6.738 1.00 10.00 C ATOM 1073 O LEU A 70 2.501 7.196 -7.632 1.00 10.00 O ATOM 1074 CB LEU A 70 2.115 8.241 -4.586 1.00 10.00 C ATOM 1075 CG LEU A 70 0.777 8.719 -4.001 1.00 10.00 C ATOM 1076 CD1 LEU A 70 0.378 7.895 -2.775 1.00 10.00 C ATOM 1077 CD2 LEU A 70 0.907 10.186 -3.578 1.00 10.00 C ATOM 0 H LEU A 70 4.138 6.815 -4.849 1.00 10.00 H new ATOM 0 HA LEU A 70 1.388 6.224 -4.767 1.00 10.00 H new ATOM 0 HB2 LEU A 70 2.848 8.198 -3.780 1.00 10.00 H new ATOM 0 HB3 LEU A 70 2.467 8.988 -5.297 1.00 10.00 H new ATOM 0 HG LEU A 70 0.012 8.600 -4.768 1.00 10.00 H new ATOM 0 HD11 LEU A 70 -0.573 8.259 -2.386 1.00 10.00 H new ATOM 0 HD12 LEU A 70 0.277 6.847 -3.058 1.00 10.00 H new ATOM 0 HD13 LEU A 70 1.145 7.991 -2.007 1.00 10.00 H new ATOM 0 HD21 LEU A 70 -0.040 10.530 -3.162 1.00 10.00 H new ATOM 0 HD22 LEU A 70 1.689 10.280 -2.825 1.00 10.00 H new ATOM 0 HD23 LEU A 70 1.164 10.793 -4.446 1.00 10.00 H new ATOM 1089 N LYS A 71 0.355 7.235 -6.937 1.00 10.00 N ATOM 1090 CA LYS A 71 -0.271 7.591 -8.179 1.00 10.00 C ATOM 1091 C LYS A 71 -0.912 8.968 -7.990 1.00 10.00 C ATOM 1092 O LYS A 71 -0.425 9.948 -8.544 1.00 10.00 O ATOM 1093 CB LYS A 71 -1.250 6.463 -8.512 1.00 10.00 C ATOM 1094 CG LYS A 71 -2.060 6.818 -9.748 1.00 10.00 C ATOM 1095 CD LYS A 71 -2.768 5.569 -10.292 1.00 10.00 C ATOM 1096 CE LYS A 71 -3.128 5.710 -11.779 1.00 10.00 C ATOM 1097 NZ LYS A 71 -2.085 5.125 -12.653 1.00 10.00 N ATOM 0 H LYS A 71 -0.321 7.091 -6.187 1.00 10.00 H new ATOM 0 HA LYS A 71 0.411 7.685 -9.024 1.00 10.00 H new ATOM 0 HB2 LYS A 71 -0.703 5.535 -8.681 1.00 10.00 H new ATOM 0 HB3 LYS A 71 -1.918 6.290 -7.668 1.00 10.00 H new ATOM 0 HG2 LYS A 71 -2.795 7.584 -9.503 1.00 10.00 H new ATOM 0 HG3 LYS A 71 -1.406 7.237 -10.513 1.00 10.00 H new ATOM 0 HD2 LYS A 71 -2.124 4.700 -10.156 1.00 10.00 H new ATOM 0 HD3 LYS A 71 -3.675 5.387 -9.716 1.00 10.00 H new ATOM 0 HE2 LYS A 71 -4.082 5.218 -11.971 1.00 10.00 H new ATOM 0 HE3 LYS A 71 -3.258 6.764 -12.023 1.00 10.00 H new ATOM 0 HZ1 LYS A 71 -1.679 5.869 -13.255 1.00 10.00 H new ATOM 0 HZ2 LYS A 71 -1.335 4.707 -12.066 1.00 10.00 H new ATOM 0 HZ3 LYS A 71 -2.508 4.387 -13.252 1.00 10.00 H new ATOM 1111 N GLY A 72 -1.973 9.051 -7.182 1.00 10.00 N ATOM 1112 CA GLY A 72 -2.599 10.328 -6.853 1.00 10.00 C ATOM 1113 C GLY A 72 -4.007 10.156 -6.289 1.00 10.00 C ATOM 1114 O GLY A 72 -4.928 10.836 -6.735 1.00 10.00 O ATOM 0 H GLY A 72 -2.415 8.243 -6.744 1.00 10.00 H new ATOM 0 HA2 GLY A 72 -1.981 10.856 -6.127 1.00 10.00 H new ATOM 0 HA3 GLY A 72 -2.642 10.950 -7.747 1.00 10.00 H new ATOM 1118 N GLU A 73 -4.149 9.267 -5.299 1.00 10.00 N ATOM 1119 CA GLU A 73 -5.398 8.984 -4.602 1.00 10.00 C ATOM 1120 C GLU A 73 -6.428 8.323 -5.520 1.00 10.00 C ATOM 1121 O GLU A 73 -6.239 8.228 -6.730 1.00 10.00 O ATOM 1122 CB GLU A 73 -5.963 10.226 -3.894 1.00 10.00 C ATOM 1123 CG GLU A 73 -4.894 11.077 -3.191 1.00 10.00 C ATOM 1124 CD GLU A 73 -5.512 12.269 -2.468 1.00 10.00 C ATOM 1125 OE1 GLU A 73 -6.745 12.245 -2.262 1.00 10.00 O ATOM 1126 OE2 GLU A 73 -4.731 13.198 -2.168 1.00 10.00 O ATOM 0 H GLU A 73 -3.368 8.709 -4.953 1.00 10.00 H new ATOM 0 HA GLU A 73 -5.165 8.262 -3.820 1.00 10.00 H new ATOM 0 HB2 GLU A 73 -6.484 10.844 -4.625 1.00 10.00 H new ATOM 0 HB3 GLU A 73 -6.703 9.909 -3.159 1.00 10.00 H new ATOM 0 HG2 GLU A 73 -4.349 10.460 -2.477 1.00 10.00 H new ATOM 0 HG3 GLU A 73 -4.170 11.431 -3.924 1.00 10.00 H new