USER MOD reduce.3.24.130724 H: found=0, std=0, add=580, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 577 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 ASN : amide:sc= -2.26 X(o=-2.3,f=-2.2!) USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 162:sc=0.000793 (180deg=0) USER MOD Single : A 29 HIS : no HD1:sc= -0.014 X(o=-0.014,f=0) USER MOD Single : A 36 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 56 LYS NZ :NH3+ -124:sc= -0.257 (180deg=-1.66!) USER MOD Single : A 58 LYS NZ :NH3+ -150:sc= -0.113 (180deg=-0.86) USER MOD Single : A 66 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.32) USER MOD Single : A 74 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 25 N THR A 3 7.392 -4.173 -2.645 1.00 64.41 N ATOM 26 CA THR A 3 8.815 -4.455 -2.795 1.00 15.24 C ATOM 27 C THR A 3 9.381 -5.108 -1.539 1.00 12.52 C ATOM 28 O THR A 3 8.921 -4.840 -0.428 1.00 64.11 O ATOM 29 CB THR A 3 9.612 -3.172 -3.097 1.00 62.31 C ATOM 30 OG1 THR A 3 11.009 -3.475 -3.191 1.00 12.41 O ATOM 31 CG2 THR A 3 9.386 -2.127 -2.016 1.00 1.44 C ATOM 0 HA THR A 3 8.915 -5.142 -3.635 1.00 15.24 H new ATOM 0 HB THR A 3 9.263 -2.769 -4.047 1.00 62.31 H new ATOM 0 HG1 THR A 3 11.509 -2.655 -3.385 1.00 12.41 H new ATOM 0 HG21 THR A 3 9.959 -1.230 -2.251 1.00 1.44 H new ATOM 0 HG22 THR A 3 8.326 -1.878 -1.967 1.00 1.44 H new ATOM 0 HG23 THR A 3 9.711 -2.523 -1.054 1.00 1.44 H new ATOM 39 N ILE A 4 10.380 -5.964 -1.722 1.00 4.50 N ATOM 40 CA ILE A 4 11.010 -6.653 -0.603 1.00 1.34 C ATOM 41 C ILE A 4 11.443 -5.666 0.477 1.00 63.43 C ATOM 42 O ILE A 4 11.249 -5.909 1.668 1.00 53.10 O ATOM 43 CB ILE A 4 12.235 -7.467 -1.060 1.00 10.33 C ATOM 44 CG1 ILE A 4 11.819 -8.524 -2.085 1.00 15.24 C ATOM 45 CG2 ILE A 4 12.914 -8.119 0.136 1.00 51.54 C ATOM 46 CD1 ILE A 4 10.760 -9.476 -1.574 1.00 61.31 C ATOM 0 H ILE A 4 10.771 -6.197 -2.635 1.00 4.50 H new ATOM 0 HA ILE A 4 10.265 -7.334 -0.192 1.00 1.34 H new ATOM 0 HB ILE A 4 12.947 -6.790 -1.533 1.00 10.33 H new ATOM 0 HG12 ILE A 4 11.446 -8.025 -2.979 1.00 15.24 H new ATOM 0 HG13 ILE A 4 12.698 -9.096 -2.382 1.00 15.24 H new ATOM 0 HG21 ILE A 4 13.778 -8.691 -0.203 1.00 51.54 H new ATOM 0 HG22 ILE A 4 13.240 -7.348 0.834 1.00 51.54 H new ATOM 0 HG23 ILE A 4 12.211 -8.786 0.635 1.00 51.54 H new ATOM 0 HD11 ILE A 4 10.513 -10.198 -2.353 1.00 61.31 H new ATOM 0 HD12 ILE A 4 11.137 -10.003 -0.697 1.00 61.31 H new ATOM 0 HD13 ILE A 4 9.866 -8.914 -1.304 1.00 61.31 H new ATOM 58 N ASP A 5 12.030 -4.553 0.052 1.00 52.23 N ATOM 59 CA ASP A 5 12.488 -3.527 0.982 1.00 63.34 C ATOM 60 C ASP A 5 11.373 -3.126 1.941 1.00 35.03 C ATOM 61 O ASP A 5 11.630 -2.738 3.081 1.00 62.00 O ATOM 62 CB ASP A 5 12.985 -2.300 0.216 1.00 3.00 C ATOM 63 CG ASP A 5 14.486 -2.319 0.004 1.00 4.40 C ATOM 64 OD1 ASP A 5 15.227 -2.189 1.001 1.00 65.34 O ATOM 65 OD2 ASP A 5 14.920 -2.462 -1.159 1.00 1.45 O ATOM 0 H ASP A 5 12.200 -4.338 -0.930 1.00 52.23 H new ATOM 0 HA ASP A 5 13.312 -3.941 1.564 1.00 63.34 H new ATOM 0 HB2 ASP A 5 12.485 -2.252 -0.751 1.00 3.00 H new ATOM 0 HB3 ASP A 5 12.709 -1.398 0.762 1.00 3.00 H new ATOM 70 N ASP A 6 10.133 -3.221 1.472 1.00 23.15 N ATOM 71 CA ASP A 6 8.978 -2.868 2.289 1.00 73.11 C ATOM 72 C ASP A 6 8.905 -3.745 3.535 1.00 12.44 C ATOM 73 O ASP A 6 8.507 -3.286 4.606 1.00 73.41 O ATOM 74 CB ASP A 6 7.690 -3.008 1.476 1.00 71.33 C ATOM 75 CG ASP A 6 6.526 -2.267 2.103 1.00 75.11 C ATOM 76 OD1 ASP A 6 6.721 -1.112 2.534 1.00 42.32 O ATOM 77 OD2 ASP A 6 5.419 -2.843 2.164 1.00 52.12 O ATOM 0 H ASP A 6 9.902 -3.539 0.531 1.00 23.15 H new ATOM 0 HA ASP A 6 9.090 -1.830 2.603 1.00 73.11 H new ATOM 0 HB2 ASP A 6 7.857 -2.629 0.468 1.00 71.33 H new ATOM 0 HB3 ASP A 6 7.436 -4.064 1.382 1.00 71.33 H new ATOM 82 N ALA A 7 9.291 -5.008 3.388 1.00 50.32 N ATOM 83 CA ALA A 7 9.270 -5.948 4.501 1.00 3.14 C ATOM 84 C ALA A 7 10.271 -5.545 5.579 1.00 10.40 C ATOM 85 O ALA A 7 9.919 -5.421 6.752 1.00 11.23 O ATOM 86 CB ALA A 7 9.563 -7.357 4.008 1.00 74.12 C ATOM 0 H ALA A 7 9.622 -5.404 2.508 1.00 50.32 H new ATOM 0 HA ALA A 7 8.273 -5.929 4.941 1.00 3.14 H new ATOM 0 HB1 ALA A 7 9.544 -8.049 4.850 1.00 74.12 H new ATOM 0 HB2 ALA A 7 8.808 -7.652 3.279 1.00 74.12 H new ATOM 0 HB3 ALA A 7 10.547 -7.382 3.541 1.00 74.12 H new ATOM 92 N PHE A 8 11.520 -5.342 5.174 1.00 42.43 N ATOM 93 CA PHE A 8 12.573 -4.954 6.106 1.00 53.24 C ATOM 94 C PHE A 8 12.171 -3.711 6.894 1.00 53.55 C ATOM 95 O PHE A 8 12.557 -3.544 8.051 1.00 73.24 O ATOM 96 CB PHE A 8 13.879 -4.694 5.353 1.00 43.12 C ATOM 97 CG PHE A 8 14.251 -5.794 4.400 1.00 41.21 C ATOM 98 CD1 PHE A 8 14.113 -7.123 4.767 1.00 2.41 C ATOM 99 CD2 PHE A 8 14.739 -5.499 3.137 1.00 0.21 C ATOM 100 CE1 PHE A 8 14.454 -8.137 3.893 1.00 60.35 C ATOM 101 CE2 PHE A 8 15.081 -6.509 2.258 1.00 21.02 C ATOM 102 CZ PHE A 8 14.940 -7.830 2.637 1.00 54.23 C ATOM 0 H PHE A 8 11.828 -5.440 4.207 1.00 42.43 H new ATOM 0 HA PHE A 8 12.723 -5.774 6.808 1.00 53.24 H new ATOM 0 HB2 PHE A 8 13.790 -3.759 4.799 1.00 43.12 H new ATOM 0 HB3 PHE A 8 14.685 -4.561 6.075 1.00 43.12 H new ATOM 0 HD1 PHE A 8 13.734 -7.369 5.748 1.00 2.41 H new ATOM 0 HD2 PHE A 8 14.853 -4.468 2.836 1.00 0.21 H new ATOM 0 HE1 PHE A 8 14.341 -9.169 4.191 1.00 60.35 H new ATOM 0 HE2 PHE A 8 15.458 -6.266 1.276 1.00 21.02 H new ATOM 0 HZ PHE A 8 15.209 -8.621 1.953 1.00 54.23 H new ATOM 112 N ARG A 9 11.393 -2.840 6.258 1.00 63.14 N ATOM 113 CA ARG A 9 10.940 -1.611 6.897 1.00 1.04 C ATOM 114 C ARG A 9 9.817 -1.897 7.890 1.00 53.12 C ATOM 115 O ARG A 9 9.671 -1.202 8.895 1.00 42.12 O ATOM 116 CB ARG A 9 10.462 -0.609 5.845 1.00 63.13 C ATOM 117 CG ARG A 9 11.565 -0.132 4.914 1.00 53.25 C ATOM 118 CD ARG A 9 10.999 0.630 3.725 1.00 1.22 C ATOM 119 NE ARG A 9 11.969 1.567 3.164 1.00 71.22 N ATOM 120 CZ ARG A 9 12.243 2.751 3.700 1.00 31.45 C ATOM 121 NH1 ARG A 9 11.624 3.140 4.806 1.00 10.14 N ATOM 122 NH2 ARG A 9 13.138 3.547 3.131 1.00 42.41 N ATOM 0 H ARG A 9 11.064 -2.964 5.301 1.00 63.14 H new ATOM 0 HA ARG A 9 11.782 -1.182 7.440 1.00 1.04 H new ATOM 0 HB2 ARG A 9 9.670 -1.067 5.252 1.00 63.13 H new ATOM 0 HB3 ARG A 9 10.025 0.253 6.349 1.00 63.13 H new ATOM 0 HG2 ARG A 9 12.255 0.509 5.463 1.00 53.25 H new ATOM 0 HG3 ARG A 9 12.139 -0.988 4.559 1.00 53.25 H new ATOM 0 HD2 ARG A 9 10.690 -0.077 2.955 1.00 1.22 H new ATOM 0 HD3 ARG A 9 10.107 1.174 4.034 1.00 1.22 H new ATOM 0 HE ARG A 9 12.463 1.297 2.314 1.00 71.22 H new ATOM 0 HH11 ARG A 9 10.936 2.530 5.247 1.00 10.14 H new ATOM 0 HH12 ARG A 9 11.836 4.050 5.216 1.00 10.14 H new ATOM 0 HH21 ARG A 9 13.617 3.250 2.281 1.00 42.41 H new ATOM 0 HH22 ARG A 9 13.347 4.456 3.544 1.00 42.41 H new ATOM 136 N ALA A 10 9.025 -2.924 7.600 1.00 61.25 N ATOM 137 CA ALA A 10 7.916 -3.303 8.467 1.00 42.25 C ATOM 138 C ALA A 10 8.416 -4.027 9.712 1.00 73.41 C ATOM 139 O ALA A 10 7.764 -4.008 10.756 1.00 15.22 O ATOM 140 CB ALA A 10 6.927 -4.175 7.708 1.00 53.44 C ATOM 0 H ALA A 10 9.131 -3.509 6.771 1.00 61.25 H new ATOM 0 HA ALA A 10 7.409 -2.393 8.787 1.00 42.25 H new ATOM 0 HB1 ALA A 10 6.104 -4.451 8.368 1.00 53.44 H new ATOM 0 HB2 ALA A 10 6.537 -3.623 6.853 1.00 53.44 H new ATOM 0 HB3 ALA A 10 7.430 -5.077 7.359 1.00 53.44 H new ATOM 146 N ILE A 11 9.575 -4.666 9.594 1.00 32.20 N ATOM 147 CA ILE A 11 10.161 -5.397 10.711 1.00 50.40 C ATOM 148 C ILE A 11 10.214 -4.532 11.966 1.00 41.11 C ATOM 149 O ILE A 11 10.164 -5.042 13.085 1.00 43.43 O ATOM 150 CB ILE A 11 11.582 -5.887 10.379 1.00 65.42 C ATOM 151 CG1 ILE A 11 11.922 -7.131 11.203 1.00 12.11 C ATOM 152 CG2 ILE A 11 12.597 -4.783 10.634 1.00 42.12 C ATOM 153 CD1 ILE A 11 12.029 -8.393 10.376 1.00 24.14 C ATOM 0 H ILE A 11 10.127 -4.692 8.736 1.00 32.20 H new ATOM 0 HA ILE A 11 9.521 -6.260 10.894 1.00 50.40 H new ATOM 0 HB ILE A 11 11.621 -6.152 9.322 1.00 65.42 H new ATOM 0 HG12 ILE A 11 12.866 -6.966 11.723 1.00 12.11 H new ATOM 0 HG13 ILE A 11 11.157 -7.271 11.967 1.00 12.11 H new ATOM 0 HG21 ILE A 11 13.597 -5.145 10.394 1.00 42.12 H new ATOM 0 HG22 ILE A 11 12.363 -3.922 10.008 1.00 42.12 H new ATOM 0 HG23 ILE A 11 12.559 -4.489 11.683 1.00 42.12 H new ATOM 0 HD11 ILE A 11 12.272 -9.234 11.025 1.00 24.14 H new ATOM 0 HD12 ILE A 11 11.079 -8.583 9.877 1.00 24.14 H new ATOM 0 HD13 ILE A 11 12.813 -8.273 9.629 1.00 24.14 H new ATOM 165 N GLU A 12 10.314 -3.221 11.771 1.00 52.32 N ATOM 166 CA GLU A 12 10.373 -2.285 12.888 1.00 75.13 C ATOM 167 C GLU A 12 9.193 -2.493 13.834 1.00 43.32 C ATOM 168 O GLU A 12 9.312 -2.297 15.043 1.00 5.04 O ATOM 169 CB GLU A 12 10.381 -0.844 12.375 1.00 42.44 C ATOM 170 CG GLU A 12 11.493 0.006 12.967 1.00 52.54 C ATOM 171 CD GLU A 12 11.545 1.398 12.367 1.00 13.54 C ATOM 172 OE1 GLU A 12 10.593 1.773 11.651 1.00 33.34 O ATOM 173 OE2 GLU A 12 12.538 2.114 12.615 1.00 22.34 O ATOM 0 H GLU A 12 10.356 -2.783 10.851 1.00 52.32 H new ATOM 0 HA GLU A 12 11.295 -2.472 13.438 1.00 75.13 H new ATOM 0 HB2 GLU A 12 10.481 -0.854 11.290 1.00 42.44 H new ATOM 0 HB3 GLU A 12 9.421 -0.381 12.602 1.00 42.44 H new ATOM 0 HG2 GLU A 12 11.351 0.084 14.045 1.00 52.54 H new ATOM 0 HG3 GLU A 12 12.450 -0.491 12.807 1.00 52.54 H new ATOM 180 N ARG A 13 8.055 -2.890 13.273 1.00 5.44 N ATOM 181 CA ARG A 13 6.854 -3.122 14.066 1.00 70.12 C ATOM 182 C ARG A 13 6.979 -4.407 14.879 1.00 61.32 C ATOM 183 O ARG A 13 6.482 -4.494 16.001 1.00 33.40 O ATOM 184 CB ARG A 13 5.625 -3.198 13.158 1.00 62.13 C ATOM 185 CG ARG A 13 4.483 -2.299 13.602 1.00 31.32 C ATOM 186 CD ARG A 13 4.490 -0.977 12.852 1.00 45.40 C ATOM 187 NE ARG A 13 3.543 -0.020 13.419 1.00 64.40 N ATOM 188 CZ ARG A 13 3.333 1.191 12.917 1.00 54.14 C ATOM 189 NH1 ARG A 13 3.998 1.592 11.842 1.00 21.12 N ATOM 190 NH2 ARG A 13 2.454 2.004 13.489 1.00 40.41 N ATOM 0 H ARG A 13 7.940 -3.057 12.273 1.00 5.44 H new ATOM 0 HA ARG A 13 6.737 -2.286 14.756 1.00 70.12 H new ATOM 0 HB2 ARG A 13 5.916 -2.927 12.143 1.00 62.13 H new ATOM 0 HB3 ARG A 13 5.272 -4.229 13.124 1.00 62.13 H new ATOM 0 HG2 ARG A 13 3.533 -2.807 13.436 1.00 31.32 H new ATOM 0 HG3 ARG A 13 4.562 -2.111 14.673 1.00 31.32 H new ATOM 0 HD2 ARG A 13 5.493 -0.552 12.877 1.00 45.40 H new ATOM 0 HD3 ARG A 13 4.244 -1.153 11.805 1.00 45.40 H new ATOM 0 HE ARG A 13 3.014 -0.297 14.246 1.00 64.40 H new ATOM 0 HH11 ARG A 13 4.673 0.969 11.398 1.00 21.12 H new ATOM 0 HH12 ARG A 13 3.834 2.523 11.459 1.00 21.12 H new ATOM 0 HH21 ARG A 13 1.939 1.699 14.315 1.00 40.41 H new ATOM 0 HH22 ARG A 13 2.293 2.934 13.103 1.00 40.41 H new ATOM 204 N ALA A 14 7.646 -5.402 14.304 1.00 65.41 N ATOM 205 CA ALA A 14 7.838 -6.682 14.975 1.00 2.14 C ATOM 206 C ALA A 14 8.616 -6.509 16.275 1.00 4.53 C ATOM 207 O ALA A 14 8.197 -6.987 17.329 1.00 33.52 O ATOM 208 CB ALA A 14 8.555 -7.659 14.055 1.00 1.30 C ATOM 0 H ALA A 14 8.063 -5.346 13.375 1.00 65.41 H new ATOM 0 HA ALA A 14 6.856 -7.086 15.220 1.00 2.14 H new ATOM 0 HB1 ALA A 14 8.691 -8.610 14.570 1.00 1.30 H new ATOM 0 HB2 ALA A 14 7.960 -7.815 13.155 1.00 1.30 H new ATOM 0 HB3 ALA A 14 9.528 -7.252 13.780 1.00 1.30 H new ATOM 214 N ILE A 15 9.751 -5.822 16.193 1.00 21.20 N ATOM 215 CA ILE A 15 10.587 -5.586 17.364 1.00 70.14 C ATOM 216 C ILE A 15 9.908 -4.633 18.341 1.00 52.43 C ATOM 217 O ILE A 15 10.078 -4.747 19.554 1.00 24.21 O ATOM 218 CB ILE A 15 11.958 -5.007 16.968 1.00 25.45 C ATOM 219 CG1 ILE A 15 12.870 -4.916 18.194 1.00 11.40 C ATOM 220 CG2 ILE A 15 11.790 -3.640 16.323 1.00 23.00 C ATOM 221 CD1 ILE A 15 14.065 -5.840 18.129 1.00 62.23 C ATOM 0 H ILE A 15 10.112 -5.419 15.328 1.00 21.20 H new ATOM 0 HA ILE A 15 10.735 -6.552 17.847 1.00 70.14 H new ATOM 0 HB ILE A 15 12.422 -5.674 16.242 1.00 25.45 H new ATOM 0 HG12 ILE A 15 13.220 -3.889 18.300 1.00 11.40 H new ATOM 0 HG13 ILE A 15 12.289 -5.149 19.087 1.00 11.40 H new ATOM 0 HG21 ILE A 15 12.768 -3.244 16.049 1.00 23.00 H new ATOM 0 HG22 ILE A 15 11.173 -3.733 15.429 1.00 23.00 H new ATOM 0 HG23 ILE A 15 11.309 -2.962 17.028 1.00 23.00 H new ATOM 0 HD11 ILE A 15 14.666 -5.722 19.031 1.00 62.23 H new ATOM 0 HD12 ILE A 15 13.723 -6.872 18.054 1.00 62.23 H new ATOM 0 HD13 ILE A 15 14.669 -5.593 17.256 1.00 62.23 H new ATOM 233 N GLN A 16 9.136 -3.693 17.803 1.00 64.31 N ATOM 234 CA GLN A 16 8.430 -2.720 18.628 1.00 23.52 C ATOM 235 C GLN A 16 7.536 -3.418 19.648 1.00 60.44 C ATOM 236 O GLN A 16 7.199 -2.849 20.685 1.00 5.03 O ATOM 237 CB GLN A 16 7.593 -1.788 17.751 1.00 33.30 C ATOM 238 CG GLN A 16 8.212 -0.413 17.560 1.00 61.32 C ATOM 239 CD GLN A 16 7.200 0.707 17.697 1.00 71.13 C ATOM 240 OE1 GLN A 16 6.852 1.113 18.806 1.00 71.41 O ATOM 241 NE2 GLN A 16 6.721 1.214 16.567 1.00 60.24 N ATOM 0 H GLN A 16 8.984 -3.585 16.800 1.00 64.31 H new ATOM 0 HA GLN A 16 9.172 -2.131 19.166 1.00 23.52 H new ATOM 0 HB2 GLN A 16 7.451 -2.252 16.775 1.00 33.30 H new ATOM 0 HB3 GLN A 16 6.605 -1.674 18.197 1.00 33.30 H new ATOM 0 HG2 GLN A 16 9.006 -0.271 18.293 1.00 61.32 H new ATOM 0 HG3 GLN A 16 8.675 -0.361 16.574 1.00 61.32 H new ATOM 0 HE21 GLN A 16 7.037 0.847 15.669 1.00 60.24 H new ATOM 0 HE22 GLN A 16 6.037 1.970 16.597 1.00 60.24 H new ATOM 250 N ALA A 17 7.154 -4.655 19.344 1.00 4.22 N ATOM 251 CA ALA A 17 6.301 -5.431 20.235 1.00 54.11 C ATOM 252 C ALA A 17 6.833 -5.408 21.664 1.00 62.45 C ATOM 253 O ALA A 17 6.066 -5.302 22.620 1.00 51.45 O ATOM 254 CB ALA A 17 6.182 -6.863 19.736 1.00 33.53 C ATOM 0 H ALA A 17 7.422 -5.140 18.488 1.00 4.22 H new ATOM 0 HA ALA A 17 5.311 -4.975 20.238 1.00 54.11 H new ATOM 0 HB1 ALA A 17 5.542 -7.431 20.411 1.00 33.53 H new ATOM 0 HB2 ALA A 17 5.748 -6.865 18.736 1.00 33.53 H new ATOM 0 HB3 ALA A 17 7.171 -7.320 19.703 1.00 33.53 H new ATOM 260 N GLU A 18 8.152 -5.511 21.800 1.00 14.44 N ATOM 261 CA GLU A 18 8.785 -5.503 23.114 1.00 64.53 C ATOM 262 C GLU A 18 8.302 -6.680 23.957 1.00 1.54 C ATOM 263 O GLU A 18 8.400 -6.659 25.184 1.00 65.25 O ATOM 264 CB GLU A 18 8.493 -4.188 23.838 1.00 5.22 C ATOM 265 CG GLU A 18 8.888 -2.955 23.043 1.00 5.53 C ATOM 266 CD GLU A 18 10.156 -2.306 23.564 1.00 1.25 C ATOM 267 OE1 GLU A 18 11.251 -2.845 23.300 1.00 40.41 O ATOM 268 OE2 GLU A 18 10.053 -1.259 24.237 1.00 15.41 O ATOM 0 H GLU A 18 8.801 -5.601 21.018 1.00 14.44 H new ATOM 0 HA GLU A 18 9.861 -5.598 22.971 1.00 64.53 H new ATOM 0 HB2 GLU A 18 7.428 -4.137 24.066 1.00 5.22 H new ATOM 0 HB3 GLU A 18 9.024 -4.182 24.790 1.00 5.22 H new ATOM 0 HG2 GLU A 18 9.029 -3.231 21.998 1.00 5.53 H new ATOM 0 HG3 GLU A 18 8.074 -2.231 23.075 1.00 5.53 H new ATOM 275 N ASN A 19 7.779 -7.703 23.290 1.00 30.35 N ATOM 276 CA ASN A 19 7.279 -8.888 23.978 1.00 31.12 C ATOM 277 C ASN A 19 6.768 -9.922 22.979 1.00 23.02 C ATOM 278 O ASN A 19 7.444 -10.910 22.694 1.00 1.02 O ATOM 279 CB ASN A 19 6.161 -8.505 24.950 1.00 74.43 C ATOM 280 CG ASN A 19 5.445 -9.718 25.514 1.00 10.40 C ATOM 281 OD1 ASN A 19 6.078 -10.672 25.965 1.00 4.12 O ATOM 282 ND2 ASN A 19 4.118 -9.685 25.491 1.00 54.14 N ATOM 0 H ASN A 19 7.690 -7.736 22.274 1.00 30.35 H new ATOM 0 HA ASN A 19 8.104 -9.328 24.539 1.00 31.12 H new ATOM 0 HB2 ASN A 19 6.580 -7.920 25.769 1.00 74.43 H new ATOM 0 HB3 ASN A 19 5.441 -7.867 24.438 1.00 74.43 H new ATOM 0 HD21 ASN A 19 3.582 -10.472 25.857 1.00 54.14 H new ATOM 0 HD22 ASN A 19 3.635 -8.873 25.107 1.00 54.14 H new ATOM 289 N GLU A 20 5.571 -9.686 22.451 1.00 4.10 N ATOM 290 CA GLU A 20 4.971 -10.597 21.484 1.00 33.11 C ATOM 291 C GLU A 20 3.585 -10.113 21.068 1.00 14.32 C ATOM 292 O GLU A 20 2.584 -10.441 21.704 1.00 12.52 O ATOM 293 CB GLU A 20 4.876 -12.008 22.070 1.00 54.52 C ATOM 294 CG GLU A 20 4.344 -12.041 23.493 1.00 73.03 C ATOM 295 CD GLU A 20 3.730 -13.379 23.855 1.00 74.44 C ATOM 296 OE1 GLU A 20 4.226 -14.413 23.361 1.00 21.54 O ATOM 297 OE2 GLU A 20 2.752 -13.392 24.632 1.00 70.12 O ATOM 0 H GLU A 20 4.998 -8.873 22.676 1.00 4.10 H new ATOM 0 HA GLU A 20 5.609 -10.620 20.601 1.00 33.11 H new ATOM 0 HB2 GLU A 20 4.229 -12.613 21.435 1.00 54.52 H new ATOM 0 HB3 GLU A 20 5.864 -12.468 22.050 1.00 54.52 H new ATOM 0 HG2 GLU A 20 5.156 -11.819 24.186 1.00 73.03 H new ATOM 0 HG3 GLU A 20 3.596 -11.257 23.616 1.00 73.03 H new ATOM 304 N GLY A 21 3.535 -9.329 19.995 1.00 1.12 N ATOM 305 CA GLY A 21 2.268 -8.811 19.513 1.00 43.03 C ATOM 306 C GLY A 21 2.197 -8.770 17.999 1.00 24.11 C ATOM 307 O GLY A 21 1.615 -9.657 17.374 1.00 0.42 O ATOM 0 H GLY A 21 4.349 -9.044 19.451 1.00 1.12 H new ATOM 0 HA2 GLY A 21 1.457 -9.431 19.895 1.00 43.03 H new ATOM 0 HA3 GLY A 21 2.116 -7.807 19.908 1.00 43.03 H new ATOM 311 N ARG A 22 2.790 -7.738 17.408 1.00 10.32 N ATOM 312 CA ARG A 22 2.789 -7.583 15.958 1.00 31.35 C ATOM 313 C ARG A 22 3.876 -8.442 15.319 1.00 20.44 C ATOM 314 O ARG A 22 3.818 -8.751 14.129 1.00 41.32 O ATOM 315 CB ARG A 22 2.996 -6.115 15.580 1.00 33.54 C ATOM 316 CG ARG A 22 1.698 -5.348 15.387 1.00 43.30 C ATOM 317 CD ARG A 22 0.981 -5.124 16.709 1.00 2.41 C ATOM 318 NE ARG A 22 0.263 -3.852 16.734 1.00 71.25 N ATOM 319 CZ ARG A 22 -0.866 -3.633 16.069 1.00 71.11 C ATOM 320 NH1 ARG A 22 -1.403 -4.596 15.332 1.00 41.21 N ATOM 321 NH2 ARG A 22 -1.461 -2.449 16.141 1.00 21.21 N ATOM 0 H ARG A 22 3.277 -6.996 17.911 1.00 10.32 H new ATOM 0 HA ARG A 22 1.821 -7.914 15.583 1.00 31.35 H new ATOM 0 HB2 ARG A 22 3.584 -5.628 16.358 1.00 33.54 H new ATOM 0 HB3 ARG A 22 3.579 -6.064 14.660 1.00 33.54 H new ATOM 0 HG2 ARG A 22 1.909 -4.387 14.919 1.00 43.30 H new ATOM 0 HG3 ARG A 22 1.047 -5.898 14.707 1.00 43.30 H new ATOM 0 HD2 ARG A 22 0.279 -5.940 16.884 1.00 2.41 H new ATOM 0 HD3 ARG A 22 1.706 -5.147 17.523 1.00 2.41 H new ATOM 0 HE ARG A 22 0.649 -3.091 17.292 1.00 71.25 H new ATOM 0 HH11 ARG A 22 -0.949 -5.508 15.275 1.00 41.21 H new ATOM 0 HH12 ARG A 22 -2.270 -4.425 14.823 1.00 41.21 H new ATOM 0 HH21 ARG A 22 -1.051 -1.706 16.707 1.00 21.21 H new ATOM 0 HH22 ARG A 22 -2.328 -2.282 15.630 1.00 21.21 H new ATOM 335 N TYR A 23 4.866 -8.825 16.118 1.00 1.11 N ATOM 336 CA TYR A 23 5.968 -9.646 15.630 1.00 0.41 C ATOM 337 C TYR A 23 5.447 -10.871 14.885 1.00 14.32 C ATOM 338 O TYR A 23 6.108 -11.393 13.988 1.00 31.50 O ATOM 339 CB TYR A 23 6.860 -10.083 16.793 1.00 35.54 C ATOM 340 CG TYR A 23 6.324 -11.277 17.551 1.00 74.20 C ATOM 341 CD1 TYR A 23 5.063 -11.246 18.134 1.00 13.41 C ATOM 342 CD2 TYR A 23 7.078 -12.436 17.685 1.00 62.14 C ATOM 343 CE1 TYR A 23 4.569 -12.334 18.828 1.00 41.42 C ATOM 344 CE2 TYR A 23 6.592 -13.529 18.375 1.00 20.32 C ATOM 345 CZ TYR A 23 5.337 -13.473 18.945 1.00 22.21 C ATOM 346 OH TYR A 23 4.850 -14.560 19.635 1.00 0.50 O ATOM 0 H TYR A 23 4.928 -8.580 17.106 1.00 1.11 H new ATOM 0 HA TYR A 23 6.556 -9.045 14.936 1.00 0.41 H new ATOM 0 HB2 TYR A 23 7.852 -10.322 16.409 1.00 35.54 H new ATOM 0 HB3 TYR A 23 6.978 -9.248 17.483 1.00 35.54 H new ATOM 0 HD1 TYR A 23 4.458 -10.356 18.043 1.00 13.41 H new ATOM 0 HD2 TYR A 23 8.062 -12.483 17.242 1.00 62.14 H new ATOM 0 HE1 TYR A 23 3.587 -12.292 19.276 1.00 41.42 H new ATOM 0 HE2 TYR A 23 7.191 -14.423 18.468 1.00 20.32 H new ATOM 0 HH TYR A 23 5.515 -15.280 19.623 1.00 0.50 H new ATOM 356 N ARG A 24 4.256 -11.323 15.264 1.00 14.30 N ATOM 357 CA ARG A 24 3.644 -12.486 14.633 1.00 22.34 C ATOM 358 C ARG A 24 3.129 -12.141 13.239 1.00 30.22 C ATOM 359 O ARG A 24 3.243 -12.940 12.310 1.00 1.11 O ATOM 360 CB ARG A 24 2.497 -13.017 15.496 1.00 42.42 C ATOM 361 CG ARG A 24 1.386 -12.004 15.721 1.00 23.12 C ATOM 362 CD ARG A 24 0.200 -12.265 14.806 1.00 63.20 C ATOM 363 NE ARG A 24 -1.020 -11.632 15.298 1.00 74.22 N ATOM 364 CZ ARG A 24 -1.669 -12.033 16.386 1.00 41.33 C ATOM 365 NH1 ARG A 24 -1.215 -13.059 17.092 1.00 73.12 N ATOM 366 NH2 ARG A 24 -2.773 -11.405 16.770 1.00 74.52 N ATOM 0 H ARG A 24 3.696 -10.901 16.005 1.00 14.30 H new ATOM 0 HA ARG A 24 4.406 -13.259 14.538 1.00 22.34 H new ATOM 0 HB2 ARG A 24 2.078 -13.905 15.022 1.00 42.42 H new ATOM 0 HB3 ARG A 24 2.894 -13.329 16.462 1.00 42.42 H new ATOM 0 HG2 ARG A 24 1.061 -12.044 16.761 1.00 23.12 H new ATOM 0 HG3 ARG A 24 1.768 -10.998 15.545 1.00 23.12 H new ATOM 0 HD2 ARG A 24 0.424 -11.892 13.807 1.00 63.20 H new ATOM 0 HD3 ARG A 24 0.040 -13.340 14.717 1.00 63.20 H new ATOM 0 HE ARG A 24 -1.395 -10.838 14.778 1.00 74.22 H new ATOM 0 HH11 ARG A 24 -0.366 -13.543 16.800 1.00 73.12 H new ATOM 0 HH12 ARG A 24 -1.715 -13.365 17.927 1.00 73.12 H new ATOM 0 HH21 ARG A 24 -3.124 -10.614 16.230 1.00 74.52 H new ATOM 0 HH22 ARG A 24 -3.271 -11.713 17.605 1.00 74.52 H new ATOM 380 N GLU A 25 2.562 -10.947 13.102 1.00 13.34 N ATOM 381 CA GLU A 25 2.028 -10.497 11.822 1.00 70.41 C ATOM 382 C GLU A 25 3.153 -10.074 10.882 1.00 61.11 C ATOM 383 O GLU A 25 3.101 -10.330 9.679 1.00 30.24 O ATOM 384 CB GLU A 25 1.057 -9.333 12.029 1.00 34.51 C ATOM 385 CG GLU A 25 -0.404 -9.751 12.018 1.00 54.30 C ATOM 386 CD GLU A 25 -0.813 -10.411 10.715 1.00 3.43 C ATOM 387 OE1 GLU A 25 -0.693 -9.758 9.657 1.00 1.12 O ATOM 388 OE2 GLU A 25 -1.252 -11.579 10.754 1.00 50.25 O ATOM 0 H GLU A 25 2.461 -10.274 13.862 1.00 13.34 H new ATOM 0 HA GLU A 25 1.492 -11.331 11.368 1.00 70.41 H new ATOM 0 HB2 GLU A 25 1.281 -8.849 12.980 1.00 34.51 H new ATOM 0 HB3 GLU A 25 1.220 -8.591 11.247 1.00 34.51 H new ATOM 0 HG2 GLU A 25 -0.587 -10.440 12.843 1.00 54.30 H new ATOM 0 HG3 GLU A 25 -1.030 -8.875 12.189 1.00 54.30 H new ATOM 395 N ALA A 26 4.169 -9.424 11.440 1.00 41.01 N ATOM 396 CA ALA A 26 5.307 -8.966 10.653 1.00 25.00 C ATOM 397 C ALA A 26 6.058 -10.142 10.038 1.00 24.10 C ATOM 398 O ALA A 26 6.338 -10.155 8.838 1.00 0.45 O ATOM 399 CB ALA A 26 6.244 -8.132 11.515 1.00 33.21 C ATOM 0 H ALA A 26 4.227 -9.203 12.434 1.00 41.01 H new ATOM 0 HA ALA A 26 4.929 -8.345 9.841 1.00 25.00 H new ATOM 0 HB1 ALA A 26 7.089 -7.797 10.914 1.00 33.21 H new ATOM 0 HB2 ALA A 26 5.708 -7.266 11.902 1.00 33.21 H new ATOM 0 HB3 ALA A 26 6.607 -8.736 12.347 1.00 33.21 H new ATOM 405 N LEU A 27 6.383 -11.129 10.866 1.00 2.32 N ATOM 406 CA LEU A 27 7.103 -12.310 10.404 1.00 60.24 C ATOM 407 C LEU A 27 6.266 -13.101 9.404 1.00 73.33 C ATOM 408 O LEU A 27 6.802 -13.777 8.525 1.00 50.40 O ATOM 409 CB LEU A 27 7.477 -13.201 11.590 1.00 44.52 C ATOM 410 CG LEU A 27 8.541 -12.645 12.537 1.00 44.51 C ATOM 411 CD1 LEU A 27 8.879 -13.661 13.616 1.00 32.14 C ATOM 412 CD2 LEU A 27 9.791 -12.251 11.763 1.00 61.01 C ATOM 0 H LEU A 27 6.159 -11.135 11.861 1.00 2.32 H new ATOM 0 HA LEU A 27 8.014 -11.978 9.906 1.00 60.24 H new ATOM 0 HB2 LEU A 27 6.574 -13.401 12.167 1.00 44.52 H new ATOM 0 HB3 LEU A 27 7.827 -14.158 11.204 1.00 44.52 H new ATOM 0 HG LEU A 27 8.140 -11.753 13.019 1.00 44.51 H new ATOM 0 HD11 LEU A 27 9.638 -13.247 14.280 1.00 32.14 H new ATOM 0 HD12 LEU A 27 7.982 -13.894 14.190 1.00 32.14 H new ATOM 0 HD13 LEU A 27 9.260 -14.571 13.152 1.00 32.14 H new ATOM 0 HD21 LEU A 27 10.537 -11.857 12.453 1.00 61.01 H new ATOM 0 HD22 LEU A 27 10.194 -13.126 11.253 1.00 61.01 H new ATOM 0 HD23 LEU A 27 9.538 -11.487 11.028 1.00 61.01 H new ATOM 424 N LYS A 28 4.947 -13.012 9.542 1.00 3.52 N ATOM 425 CA LYS A 28 4.034 -13.715 8.650 1.00 61.43 C ATOM 426 C LYS A 28 4.140 -13.176 7.227 1.00 53.50 C ATOM 427 O LYS A 28 3.997 -13.921 6.257 1.00 14.12 O ATOM 428 CB LYS A 28 2.594 -13.583 9.151 1.00 4.53 C ATOM 429 CG LYS A 28 1.658 -14.644 8.601 1.00 21.40 C ATOM 430 CD LYS A 28 0.851 -14.121 7.425 1.00 51.10 C ATOM 431 CE LYS A 28 0.492 -15.236 6.455 1.00 50.02 C ATOM 432 NZ LYS A 28 1.020 -14.973 5.087 1.00 11.25 N ATOM 0 H LYS A 28 4.487 -12.459 10.265 1.00 3.52 H new ATOM 0 HA LYS A 28 4.314 -14.768 8.642 1.00 61.43 H new ATOM 0 HB2 LYS A 28 2.591 -13.637 10.240 1.00 4.53 H new ATOM 0 HB3 LYS A 28 2.213 -12.599 8.880 1.00 4.53 H new ATOM 0 HG2 LYS A 28 2.236 -15.514 8.289 1.00 21.40 H new ATOM 0 HG3 LYS A 28 0.982 -14.977 9.388 1.00 21.40 H new ATOM 0 HD2 LYS A 28 -0.060 -13.647 7.790 1.00 51.10 H new ATOM 0 HD3 LYS A 28 1.422 -13.353 6.903 1.00 51.10 H new ATOM 0 HE2 LYS A 28 0.892 -16.181 6.823 1.00 50.02 H new ATOM 0 HE3 LYS A 28 -0.592 -15.344 6.411 1.00 50.02 H new ATOM 0 HZ1 LYS A 28 1.030 -15.859 4.542 1.00 11.25 H new ATOM 0 HZ2 LYS A 28 0.412 -14.279 4.608 1.00 11.25 H new ATOM 0 HZ3 LYS A 28 1.988 -14.598 5.155 1.00 11.25 H new ATOM 446 N HIS A 29 4.392 -11.876 7.109 1.00 4.22 N ATOM 447 CA HIS A 29 4.519 -11.237 5.804 1.00 4.11 C ATOM 448 C HIS A 29 5.889 -11.518 5.193 1.00 52.52 C ATOM 449 O HIS A 29 6.000 -11.818 4.004 1.00 54.21 O ATOM 450 CB HIS A 29 4.303 -9.728 5.928 1.00 32.41 C ATOM 451 CG HIS A 29 3.615 -9.123 4.743 1.00 0.34 C ATOM 452 ND1 HIS A 29 4.175 -8.122 3.978 1.00 5.12 N ATOM 453 CD2 HIS A 29 2.406 -9.383 4.193 1.00 63.23 C ATOM 454 CE1 HIS A 29 3.341 -7.792 3.009 1.00 15.42 C ATOM 455 NE2 HIS A 29 2.259 -8.543 3.117 1.00 44.23 N ATOM 0 H HIS A 29 4.512 -11.245 7.901 1.00 4.22 H new ATOM 0 HA HIS A 29 3.755 -11.653 5.147 1.00 4.11 H new ATOM 0 HB2 HIS A 29 3.714 -9.526 6.822 1.00 32.41 H new ATOM 0 HB3 HIS A 29 5.268 -9.241 6.065 1.00 32.41 H new ATOM 0 HD2 HIS A 29 1.690 -10.115 4.537 1.00 63.23 H new ATOM 0 HE1 HIS A 29 3.514 -7.037 2.256 1.00 15.42 H new ATOM 0 HE2 HIS A 29 1.447 -8.505 2.501 1.00 44.23 H new ATOM 463 N PHE A 30 6.929 -11.417 6.013 1.00 25.12 N ATOM 464 CA PHE A 30 8.292 -11.658 5.553 1.00 70.32 C ATOM 465 C PHE A 30 8.452 -13.092 5.055 1.00 51.35 C ATOM 466 O PHE A 30 9.053 -13.334 4.007 1.00 2.31 O ATOM 467 CB PHE A 30 9.290 -11.384 6.680 1.00 52.12 C ATOM 468 CG PHE A 30 9.036 -10.093 7.404 1.00 33.04 C ATOM 469 CD1 PHE A 30 8.601 -8.971 6.717 1.00 65.23 C ATOM 470 CD2 PHE A 30 9.230 -10.002 8.773 1.00 3.51 C ATOM 471 CE1 PHE A 30 8.368 -7.782 7.381 1.00 34.00 C ATOM 472 CE2 PHE A 30 8.998 -8.815 9.443 1.00 73.01 C ATOM 473 CZ PHE A 30 8.565 -7.704 8.746 1.00 72.21 C ATOM 0 H PHE A 30 6.855 -11.170 7.000 1.00 25.12 H new ATOM 0 HA PHE A 30 8.494 -10.979 4.725 1.00 70.32 H new ATOM 0 HB2 PHE A 30 9.253 -12.206 7.395 1.00 52.12 H new ATOM 0 HB3 PHE A 30 10.298 -11.367 6.266 1.00 52.12 H new ATOM 0 HD1 PHE A 30 8.442 -9.027 5.650 1.00 65.23 H new ATOM 0 HD2 PHE A 30 9.566 -10.868 9.323 1.00 3.51 H new ATOM 0 HE1 PHE A 30 8.032 -6.914 6.833 1.00 34.00 H new ATOM 0 HE2 PHE A 30 9.155 -8.757 10.510 1.00 73.01 H new ATOM 0 HZ PHE A 30 8.381 -6.776 9.267 1.00 72.21 H new ATOM 483 N LEU A 31 7.910 -14.039 5.812 1.00 1.23 N ATOM 484 CA LEU A 31 7.992 -15.449 5.449 1.00 22.32 C ATOM 485 C LEU A 31 7.314 -15.707 4.107 1.00 11.35 C ATOM 486 O LEU A 31 7.739 -16.572 3.341 1.00 2.54 O ATOM 487 CB LEU A 31 7.347 -16.314 6.534 1.00 41.21 C ATOM 488 CG LEU A 31 8.304 -17.154 7.380 1.00 62.42 C ATOM 489 CD1 LEU A 31 9.160 -16.261 8.264 1.00 13.05 C ATOM 490 CD2 LEU A 31 7.530 -18.158 8.222 1.00 63.21 C ATOM 0 H LEU A 31 7.409 -13.856 6.681 1.00 1.23 H new ATOM 0 HA LEU A 31 9.045 -15.715 5.360 1.00 22.32 H new ATOM 0 HB2 LEU A 31 6.781 -15.663 7.200 1.00 41.21 H new ATOM 0 HB3 LEU A 31 6.631 -16.984 6.058 1.00 41.21 H new ATOM 0 HG LEU A 31 8.964 -17.705 6.709 1.00 62.42 H new ATOM 0 HD11 LEU A 31 9.835 -16.877 8.859 1.00 13.05 H new ATOM 0 HD12 LEU A 31 9.742 -15.583 7.641 1.00 13.05 H new ATOM 0 HD13 LEU A 31 8.517 -15.682 8.928 1.00 13.05 H new ATOM 0 HD21 LEU A 31 8.227 -18.747 8.818 1.00 63.21 H new ATOM 0 HD22 LEU A 31 6.846 -17.627 8.884 1.00 63.21 H new ATOM 0 HD23 LEU A 31 6.962 -18.820 7.568 1.00 63.21 H new ATOM 502 N ASP A 32 6.259 -14.949 3.829 1.00 32.21 N ATOM 503 CA ASP A 32 5.523 -15.093 2.578 1.00 3.31 C ATOM 504 C ASP A 32 6.340 -14.562 1.404 1.00 73.03 C ATOM 505 O ASP A 32 6.379 -15.172 0.336 1.00 52.31 O ATOM 506 CB ASP A 32 4.186 -14.355 2.660 1.00 1.14 C ATOM 507 CG ASP A 32 3.250 -14.724 1.526 1.00 23.22 C ATOM 508 OD1 ASP A 32 3.709 -15.383 0.570 1.00 40.33 O ATOM 509 OD2 ASP A 32 2.059 -14.354 1.595 1.00 63.03 O ATOM 0 H ASP A 32 5.894 -14.229 4.453 1.00 32.21 H new ATOM 0 HA ASP A 32 5.334 -16.154 2.416 1.00 3.31 H new ATOM 0 HB2 ASP A 32 3.706 -14.583 3.612 1.00 1.14 H new ATOM 0 HB3 ASP A 32 4.366 -13.280 2.643 1.00 1.14 H new ATOM 514 N GLY A 33 6.990 -13.421 1.609 1.00 2.32 N ATOM 515 CA GLY A 33 7.796 -12.826 0.559 1.00 72.54 C ATOM 516 C GLY A 33 9.008 -13.667 0.212 1.00 63.52 C ATOM 517 O GLY A 33 9.359 -13.811 -0.959 1.00 33.23 O ATOM 0 H GLY A 33 6.973 -12.897 2.484 1.00 2.32 H new ATOM 0 HA2 GLY A 33 7.184 -12.691 -0.333 1.00 72.54 H new ATOM 0 HA3 GLY A 33 8.123 -11.835 0.874 1.00 72.54 H new ATOM 521 N GLY A 34 9.653 -14.224 1.233 1.00 34.12 N ATOM 522 CA GLY A 34 10.827 -15.047 1.010 1.00 41.41 C ATOM 523 C GLY A 34 10.531 -16.258 0.149 1.00 61.34 C ATOM 524 O GLY A 34 11.405 -16.747 -0.567 1.00 52.53 O ATOM 0 H GLY A 34 9.383 -14.120 2.211 1.00 34.12 H new ATOM 0 HA2 GLY A 34 11.602 -14.447 0.533 1.00 41.41 H new ATOM 0 HA3 GLY A 34 11.224 -15.376 1.970 1.00 41.41 H new ATOM 528 N GLU A 35 9.296 -16.745 0.219 1.00 21.20 N ATOM 529 CA GLU A 35 8.889 -17.909 -0.559 1.00 62.32 C ATOM 530 C GLU A 35 8.575 -17.518 -2.000 1.00 44.43 C ATOM 531 O GLU A 35 8.521 -18.368 -2.888 1.00 30.42 O ATOM 532 CB GLU A 35 7.667 -18.574 0.078 1.00 62.53 C ATOM 533 CG GLU A 35 7.896 -19.021 1.512 1.00 53.00 C ATOM 534 CD GLU A 35 7.658 -20.506 1.705 1.00 25.15 C ATOM 535 OE1 GLU A 35 8.133 -21.298 0.864 1.00 13.25 O ATOM 536 OE2 GLU A 35 6.998 -20.876 2.699 1.00 62.20 O ATOM 0 H GLU A 35 8.561 -16.352 0.806 1.00 21.20 H new ATOM 0 HA GLU A 35 9.718 -18.617 -0.565 1.00 62.32 H new ATOM 0 HB2 GLU A 35 6.830 -17.876 0.053 1.00 62.53 H new ATOM 0 HB3 GLU A 35 7.380 -19.438 -0.522 1.00 62.53 H new ATOM 0 HG2 GLU A 35 8.918 -18.779 1.805 1.00 53.00 H new ATOM 0 HG3 GLU A 35 7.234 -18.462 2.173 1.00 53.00 H new ATOM 543 N MET A 36 8.369 -16.224 -2.224 1.00 42.02 N ATOM 544 CA MET A 36 8.061 -15.719 -3.557 1.00 64.02 C ATOM 545 C MET A 36 9.308 -15.708 -4.436 1.00 23.22 C ATOM 546 O MET A 36 9.242 -16.011 -5.627 1.00 55.15 O ATOM 547 CB MET A 36 7.473 -14.309 -3.469 1.00 24.43 C ATOM 548 CG MET A 36 5.984 -14.252 -3.770 1.00 25.04 C ATOM 549 SD MET A 36 5.628 -13.505 -5.372 1.00 31.34 S ATOM 550 CE MET A 36 3.922 -13.010 -5.142 1.00 72.52 C ATOM 0 H MET A 36 8.410 -15.507 -1.500 1.00 42.02 H new ATOM 0 HA MET A 36 7.325 -16.384 -4.009 1.00 64.02 H new ATOM 0 HB2 MET A 36 7.649 -13.913 -2.469 1.00 24.43 H new ATOM 0 HB3 MET A 36 8.002 -13.659 -4.167 1.00 24.43 H new ATOM 0 HG2 MET A 36 5.573 -15.261 -3.745 1.00 25.04 H new ATOM 0 HG3 MET A 36 5.481 -13.683 -2.988 1.00 25.04 H new ATOM 0 HE1 MET A 36 3.557 -12.530 -6.050 1.00 72.52 H new ATOM 0 HE2 MET A 36 3.314 -13.889 -4.926 1.00 72.52 H new ATOM 0 HE3 MET A 36 3.856 -12.309 -4.310 1.00 72.52 H new ATOM 560 N ILE A 37 10.443 -15.358 -3.840 1.00 42.33 N ATOM 561 CA ILE A 37 11.704 -15.309 -4.569 1.00 44.44 C ATOM 562 C ILE A 37 12.269 -16.708 -4.786 1.00 20.52 C ATOM 563 O ILE A 37 13.020 -16.947 -5.731 1.00 65.23 O ATOM 564 CB ILE A 37 12.750 -14.454 -3.829 1.00 20.34 C ATOM 565 CG1 ILE A 37 13.879 -14.053 -4.780 1.00 2.11 C ATOM 566 CG2 ILE A 37 13.303 -15.214 -2.632 1.00 61.01 C ATOM 567 CD1 ILE A 37 14.662 -12.846 -4.313 1.00 41.21 C ATOM 0 H ILE A 37 10.515 -15.104 -2.855 1.00 42.33 H new ATOM 0 HA ILE A 37 11.491 -14.852 -5.535 1.00 44.44 H new ATOM 0 HB ILE A 37 12.266 -13.547 -3.468 1.00 20.34 H new ATOM 0 HG12 ILE A 37 14.561 -14.895 -4.897 1.00 2.11 H new ATOM 0 HG13 ILE A 37 13.458 -13.845 -5.764 1.00 2.11 H new ATOM 0 HG21 ILE A 37 14.041 -14.597 -2.119 1.00 61.01 H new ATOM 0 HG22 ILE A 37 12.490 -15.454 -1.946 1.00 61.01 H new ATOM 0 HG23 ILE A 37 13.774 -16.136 -2.973 1.00 61.01 H new ATOM 0 HD11 ILE A 37 15.446 -12.619 -5.036 1.00 41.21 H new ATOM 0 HD12 ILE A 37 13.993 -11.991 -4.223 1.00 41.21 H new ATOM 0 HD13 ILE A 37 15.113 -13.058 -3.343 1.00 41.21 H new ATOM 579 N VAL A 38 11.900 -17.632 -3.904 1.00 25.31 N ATOM 580 CA VAL A 38 12.368 -19.010 -4.000 1.00 34.14 C ATOM 581 C VAL A 38 11.851 -19.679 -5.268 1.00 53.35 C ATOM 582 O VAL A 38 12.625 -20.217 -6.060 1.00 62.31 O ATOM 583 CB VAL A 38 11.925 -19.839 -2.779 1.00 41.20 C ATOM 584 CG1 VAL A 38 12.341 -21.293 -2.942 1.00 15.03 C ATOM 585 CG2 VAL A 38 12.501 -19.251 -1.500 1.00 30.25 C ATOM 0 H VAL A 38 11.279 -17.451 -3.115 1.00 25.31 H new ATOM 0 HA VAL A 38 13.457 -18.973 -4.030 1.00 34.14 H new ATOM 0 HB VAL A 38 10.838 -19.803 -2.711 1.00 41.20 H new ATOM 0 HG11 VAL A 38 12.020 -21.863 -2.070 1.00 15.03 H new ATOM 0 HG12 VAL A 38 11.876 -21.706 -3.837 1.00 15.03 H new ATOM 0 HG13 VAL A 38 13.425 -21.353 -3.035 1.00 15.03 H new ATOM 0 HG21 VAL A 38 12.178 -19.848 -0.647 1.00 30.25 H new ATOM 0 HG22 VAL A 38 13.590 -19.256 -1.555 1.00 30.25 H new ATOM 0 HG23 VAL A 38 12.148 -18.227 -1.379 1.00 30.25 H new ATOM 595 N THR A 39 10.535 -19.640 -5.457 1.00 62.54 N ATOM 596 CA THR A 39 9.914 -20.243 -6.630 1.00 14.12 C ATOM 597 C THR A 39 10.531 -19.706 -7.916 1.00 75.12 C ATOM 598 O THR A 39 10.584 -20.404 -8.928 1.00 53.25 O ATOM 599 CB THR A 39 8.395 -19.985 -6.655 1.00 62.25 C ATOM 600 OG1 THR A 39 7.829 -20.514 -7.860 1.00 11.13 O ATOM 601 CG2 THR A 39 8.097 -18.496 -6.560 1.00 23.50 C ATOM 0 H THR A 39 9.879 -19.197 -4.813 1.00 62.54 H new ATOM 0 HA THR A 39 10.092 -21.316 -6.566 1.00 14.12 H new ATOM 0 HB THR A 39 7.949 -20.484 -5.794 1.00 62.25 H new ATOM 0 HG1 THR A 39 6.863 -20.348 -7.868 1.00 11.13 H new ATOM 0 HG21 THR A 39 7.019 -18.339 -6.580 1.00 23.50 H new ATOM 0 HG22 THR A 39 8.504 -18.102 -5.629 1.00 23.50 H new ATOM 0 HG23 THR A 39 8.554 -17.979 -7.403 1.00 23.50 H new ATOM 609 N ALA A 40 10.996 -18.462 -7.869 1.00 64.34 N ATOM 610 CA ALA A 40 11.612 -17.833 -9.031 1.00 64.10 C ATOM 611 C ALA A 40 12.957 -18.475 -9.355 1.00 22.34 C ATOM 612 O ALA A 40 13.286 -18.696 -10.520 1.00 32.23 O ATOM 613 CB ALA A 40 11.782 -16.340 -8.795 1.00 11.35 C ATOM 0 H ALA A 40 10.958 -17.870 -7.039 1.00 64.34 H new ATOM 0 HA ALA A 40 10.952 -17.982 -9.886 1.00 64.10 H new ATOM 0 HB1 ALA A 40 12.243 -15.883 -9.671 1.00 11.35 H new ATOM 0 HB2 ALA A 40 10.807 -15.886 -8.620 1.00 11.35 H new ATOM 0 HB3 ALA A 40 12.418 -16.179 -7.925 1.00 11.35 H new ATOM 619 N ALA A 41 13.731 -18.772 -8.316 1.00 22.02 N ATOM 620 CA ALA A 41 15.040 -19.390 -8.490 1.00 73.00 C ATOM 621 C ALA A 41 14.906 -20.856 -8.889 1.00 51.44 C ATOM 622 O ALA A 41 15.687 -21.363 -9.693 1.00 43.44 O ATOM 623 CB ALA A 41 15.858 -19.261 -7.214 1.00 23.30 C ATOM 0 H ALA A 41 13.474 -18.595 -7.345 1.00 22.02 H new ATOM 0 HA ALA A 41 15.557 -18.867 -9.295 1.00 73.00 H new ATOM 0 HB1 ALA A 41 16.833 -19.727 -7.358 1.00 23.30 H new ATOM 0 HB2 ALA A 41 15.992 -18.207 -6.973 1.00 23.30 H new ATOM 0 HB3 ALA A 41 15.336 -19.757 -6.396 1.00 23.30 H new ATOM 629 N GLU A 42 13.911 -21.531 -8.322 1.00 2.44 N ATOM 630 CA GLU A 42 13.677 -22.939 -8.618 1.00 44.14 C ATOM 631 C GLU A 42 13.251 -23.125 -10.072 1.00 30.23 C ATOM 632 O GLU A 42 13.810 -23.951 -10.794 1.00 52.10 O ATOM 633 CB GLU A 42 12.608 -23.509 -7.685 1.00 33.15 C ATOM 634 CG GLU A 42 13.073 -23.658 -6.246 1.00 33.23 C ATOM 635 CD GLU A 42 12.812 -25.044 -5.689 1.00 62.51 C ATOM 636 OE1 GLU A 42 11.651 -25.501 -5.754 1.00 44.40 O ATOM 637 OE2 GLU A 42 13.768 -25.673 -5.189 1.00 2.23 O ATOM 0 H GLU A 42 13.254 -21.125 -7.655 1.00 2.44 H new ATOM 0 HA GLU A 42 14.611 -23.478 -8.459 1.00 44.14 H new ATOM 0 HB2 GLU A 42 11.733 -22.860 -7.710 1.00 33.15 H new ATOM 0 HB3 GLU A 42 12.293 -24.483 -8.059 1.00 33.15 H new ATOM 0 HG2 GLU A 42 14.140 -23.443 -6.189 1.00 33.23 H new ATOM 0 HG3 GLU A 42 12.565 -22.920 -5.626 1.00 33.23 H new ATOM 644 N LYS A 43 12.256 -22.352 -10.494 1.00 4.11 N ATOM 645 CA LYS A 43 11.754 -22.429 -11.860 1.00 73.24 C ATOM 646 C LYS A 43 12.810 -21.959 -12.856 1.00 75.40 C ATOM 647 O LYS A 43 12.797 -22.357 -14.020 1.00 63.14 O ATOM 648 CB LYS A 43 10.486 -21.584 -12.008 1.00 44.00 C ATOM 649 CG LYS A 43 9.211 -22.406 -12.070 1.00 32.13 C ATOM 650 CD LYS A 43 8.030 -21.648 -11.486 1.00 22.53 C ATOM 651 CE LYS A 43 6.763 -21.882 -12.294 1.00 42.21 C ATOM 652 NZ LYS A 43 6.620 -20.893 -13.399 1.00 20.34 N ATOM 0 H LYS A 43 11.781 -21.665 -9.909 1.00 4.11 H new ATOM 0 HA LYS A 43 11.516 -23.471 -12.074 1.00 73.24 H new ATOM 0 HB2 LYS A 43 10.421 -20.891 -11.169 1.00 44.00 H new ATOM 0 HB3 LYS A 43 10.564 -20.982 -12.913 1.00 44.00 H new ATOM 0 HG2 LYS A 43 8.998 -22.671 -13.106 1.00 32.13 H new ATOM 0 HG3 LYS A 43 9.352 -23.339 -11.524 1.00 32.13 H new ATOM 0 HD2 LYS A 43 7.868 -21.962 -10.455 1.00 22.53 H new ATOM 0 HD3 LYS A 43 8.256 -20.582 -11.463 1.00 22.53 H new ATOM 0 HE2 LYS A 43 6.777 -22.890 -12.708 1.00 42.21 H new ATOM 0 HE3 LYS A 43 5.896 -21.820 -11.636 1.00 42.21 H new ATOM 0 HZ1 LYS A 43 5.745 -21.086 -13.926 1.00 20.34 H new ATOM 0 HZ2 LYS A 43 6.581 -19.932 -13.002 1.00 20.34 H new ATOM 0 HZ3 LYS A 43 7.435 -20.969 -14.041 1.00 20.34 H new ATOM 666 N GLU A 44 13.722 -21.113 -12.389 1.00 52.30 N ATOM 667 CA GLU A 44 14.785 -20.590 -13.240 1.00 33.43 C ATOM 668 C GLU A 44 16.007 -21.503 -13.206 1.00 31.52 C ATOM 669 O GLU A 44 15.993 -22.553 -12.563 1.00 3.31 O ATOM 670 CB GLU A 44 15.176 -19.179 -12.796 1.00 62.34 C ATOM 671 CG GLU A 44 14.180 -18.111 -13.215 1.00 35.42 C ATOM 672 CD GLU A 44 14.043 -17.999 -14.721 1.00 35.22 C ATOM 673 OE1 GLU A 44 15.038 -18.257 -15.429 1.00 23.35 O ATOM 674 OE2 GLU A 44 12.938 -17.653 -15.191 1.00 65.42 O ATOM 0 H GLU A 44 13.747 -20.775 -11.427 1.00 52.30 H new ATOM 0 HA GLU A 44 14.411 -20.550 -14.263 1.00 33.43 H new ATOM 0 HB2 GLU A 44 15.277 -19.164 -11.711 1.00 62.34 H new ATOM 0 HB3 GLU A 44 16.154 -18.935 -13.211 1.00 62.34 H new ATOM 0 HG2 GLU A 44 13.206 -18.338 -12.781 1.00 35.42 H new ATOM 0 HG3 GLU A 44 14.493 -17.149 -12.810 1.00 35.42 H new ATOM 681 N ALA A 45 17.062 -21.096 -13.903 1.00 41.14 N ATOM 682 CA ALA A 45 18.293 -21.875 -13.952 1.00 71.45 C ATOM 683 C ALA A 45 19.404 -21.103 -14.656 1.00 71.52 C ATOM 684 O ALA A 45 20.536 -21.050 -14.176 1.00 61.51 O ATOM 685 CB ALA A 45 18.048 -23.205 -14.650 1.00 31.20 C ATOM 0 H ALA A 45 17.089 -20.231 -14.442 1.00 41.14 H new ATOM 0 HA ALA A 45 18.613 -22.068 -12.928 1.00 71.45 H new ATOM 0 HB1 ALA A 45 18.976 -23.777 -14.680 1.00 31.20 H new ATOM 0 HB2 ALA A 45 17.292 -23.769 -14.104 1.00 31.20 H new ATOM 0 HB3 ALA A 45 17.701 -23.024 -15.667 1.00 31.20 H new ATOM 691 N SER A 46 19.073 -20.507 -15.797 1.00 12.11 N ATOM 692 CA SER A 46 20.044 -19.741 -16.569 1.00 63.42 C ATOM 693 C SER A 46 20.120 -18.301 -16.072 1.00 54.25 C ATOM 694 O SER A 46 19.978 -17.358 -16.850 1.00 41.50 O ATOM 695 CB SER A 46 19.677 -19.762 -18.054 1.00 63.23 C ATOM 696 OG SER A 46 19.179 -21.032 -18.439 1.00 2.02 O ATOM 0 H SER A 46 18.140 -20.540 -16.207 1.00 12.11 H new ATOM 0 HA SER A 46 21.022 -20.204 -16.437 1.00 63.42 H new ATOM 0 HB2 SER A 46 18.927 -18.997 -18.257 1.00 63.23 H new ATOM 0 HB3 SER A 46 20.554 -19.515 -18.652 1.00 63.23 H new ATOM 0 HG SER A 46 18.950 -21.019 -19.392 1.00 2.02 H new ATOM 702 N GLN A 47 20.343 -18.141 -14.772 1.00 42.11 N ATOM 703 CA GLN A 47 20.437 -16.816 -14.171 1.00 15.21 C ATOM 704 C GLN A 47 21.517 -16.781 -13.095 1.00 31.11 C ATOM 705 O GLN A 47 21.624 -17.696 -12.278 1.00 3.11 O ATOM 706 CB GLN A 47 19.090 -16.409 -13.571 1.00 55.31 C ATOM 707 CG GLN A 47 18.858 -14.906 -13.558 1.00 64.33 C ATOM 708 CD GLN A 47 18.218 -14.403 -14.837 1.00 70.41 C ATOM 709 OE1 GLN A 47 18.683 -14.703 -15.937 1.00 51.13 O ATOM 710 NE2 GLN A 47 17.144 -13.634 -14.699 1.00 63.31 N ATOM 0 H GLN A 47 20.462 -18.912 -14.115 1.00 42.11 H new ATOM 0 HA GLN A 47 20.708 -16.108 -14.954 1.00 15.21 H new ATOM 0 HB2 GLN A 47 18.290 -16.887 -14.137 1.00 55.31 H new ATOM 0 HB3 GLN A 47 19.027 -16.787 -12.550 1.00 55.31 H new ATOM 0 HG2 GLN A 47 18.221 -14.648 -12.712 1.00 64.33 H new ATOM 0 HG3 GLN A 47 19.810 -14.397 -13.408 1.00 64.33 H new ATOM 0 HE21 GLN A 47 16.793 -13.411 -13.768 1.00 63.31 H new ATOM 0 HE22 GLN A 47 16.670 -13.267 -15.524 1.00 63.31 H new ATOM 719 N LYS A 48 22.316 -15.720 -13.100 1.00 43.23 N ATOM 720 CA LYS A 48 23.389 -15.564 -12.125 1.00 34.14 C ATOM 721 C LYS A 48 22.835 -15.120 -10.774 1.00 44.44 C ATOM 722 O LYS A 48 23.380 -15.465 -9.725 1.00 54.53 O ATOM 723 CB LYS A 48 24.418 -14.548 -12.625 1.00 70.43 C ATOM 724 CG LYS A 48 24.942 -14.850 -14.018 1.00 64.25 C ATOM 725 CD LYS A 48 26.458 -14.956 -14.033 1.00 2.20 C ATOM 726 CE LYS A 48 26.929 -16.299 -13.496 1.00 54.20 C ATOM 727 NZ LYS A 48 27.620 -17.103 -14.541 1.00 43.35 N ATOM 0 H LYS A 48 22.241 -14.954 -13.769 1.00 43.23 H new ATOM 0 HA LYS A 48 23.875 -16.531 -11.999 1.00 34.14 H new ATOM 0 HB2 LYS A 48 23.967 -13.556 -12.622 1.00 70.43 H new ATOM 0 HB3 LYS A 48 25.256 -14.519 -11.929 1.00 70.43 H new ATOM 0 HG2 LYS A 48 24.508 -15.783 -14.377 1.00 64.25 H new ATOM 0 HG3 LYS A 48 24.624 -14.066 -14.705 1.00 64.25 H new ATOM 0 HD2 LYS A 48 26.823 -14.822 -15.051 1.00 2.20 H new ATOM 0 HD3 LYS A 48 26.886 -14.153 -13.433 1.00 2.20 H new ATOM 0 HE2 LYS A 48 27.605 -16.137 -12.656 1.00 54.20 H new ATOM 0 HE3 LYS A 48 26.074 -16.857 -13.114 1.00 54.20 H new ATOM 0 HZ1 LYS A 48 27.925 -18.011 -14.135 1.00 43.35 H new ATOM 0 HZ2 LYS A 48 26.967 -17.279 -15.331 1.00 43.35 H new ATOM 0 HZ3 LYS A 48 28.451 -16.582 -14.887 1.00 43.35 H new ATOM 741 N VAL A 49 21.750 -14.353 -10.808 1.00 33.31 N ATOM 742 CA VAL A 49 21.121 -13.864 -9.587 1.00 23.13 C ATOM 743 C VAL A 49 20.303 -14.960 -8.913 1.00 12.42 C ATOM 744 O VAL A 49 20.179 -14.992 -7.688 1.00 54.34 O ATOM 745 CB VAL A 49 20.208 -12.657 -9.870 1.00 52.13 C ATOM 746 CG1 VAL A 49 21.035 -11.440 -10.254 1.00 41.43 C ATOM 747 CG2 VAL A 49 19.203 -12.994 -10.961 1.00 72.52 C ATOM 0 H VAL A 49 21.288 -14.057 -11.668 1.00 33.31 H new ATOM 0 HA VAL A 49 21.925 -13.553 -8.920 1.00 23.13 H new ATOM 0 HB VAL A 49 19.657 -12.419 -8.960 1.00 52.13 H new ATOM 0 HG11 VAL A 49 20.372 -10.597 -10.450 1.00 41.43 H new ATOM 0 HG12 VAL A 49 21.711 -11.187 -9.437 1.00 41.43 H new ATOM 0 HG13 VAL A 49 21.615 -11.662 -11.150 1.00 41.43 H new ATOM 0 HG21 VAL A 49 18.566 -12.130 -11.148 1.00 72.52 H new ATOM 0 HG22 VAL A 49 19.734 -13.258 -11.876 1.00 72.52 H new ATOM 0 HG23 VAL A 49 18.588 -13.836 -10.642 1.00 72.52 H new ATOM 757 N ARG A 50 19.746 -15.856 -9.721 1.00 24.55 N ATOM 758 CA ARG A 50 18.939 -16.954 -9.202 1.00 73.15 C ATOM 759 C ARG A 50 19.588 -17.571 -7.967 1.00 62.12 C ATOM 760 O ARG A 50 18.903 -17.955 -7.020 1.00 3.50 O ATOM 761 CB ARG A 50 18.744 -18.024 -10.278 1.00 64.31 C ATOM 762 CG ARG A 50 18.147 -19.318 -9.749 1.00 52.12 C ATOM 763 CD ARG A 50 19.060 -20.504 -10.017 1.00 3.13 C ATOM 764 NE ARG A 50 19.909 -20.811 -8.869 1.00 3.33 N ATOM 765 CZ ARG A 50 19.554 -21.638 -7.892 1.00 70.12 C ATOM 766 NH1 ARG A 50 18.372 -22.238 -7.925 1.00 23.44 N ATOM 767 NH2 ARG A 50 20.382 -21.867 -6.881 1.00 13.34 N ATOM 0 H ARG A 50 19.839 -15.843 -10.737 1.00 24.55 H new ATOM 0 HA ARG A 50 17.966 -16.553 -8.917 1.00 73.15 H new ATOM 0 HB2 ARG A 50 18.096 -17.627 -11.059 1.00 64.31 H new ATOM 0 HB3 ARG A 50 19.706 -18.241 -10.742 1.00 64.31 H new ATOM 0 HG2 ARG A 50 17.972 -19.227 -8.677 1.00 52.12 H new ATOM 0 HG3 ARG A 50 17.178 -19.491 -10.217 1.00 52.12 H new ATOM 0 HD2 ARG A 50 18.457 -21.377 -10.266 1.00 3.13 H new ATOM 0 HD3 ARG A 50 19.685 -20.291 -10.884 1.00 3.13 H new ATOM 0 HE ARG A 50 20.825 -20.366 -8.814 1.00 3.33 H new ATOM 0 HH11 ARG A 50 17.734 -22.065 -8.701 1.00 23.44 H new ATOM 0 HH12 ARG A 50 18.101 -22.873 -7.174 1.00 23.44 H new ATOM 0 HH21 ARG A 50 21.292 -21.408 -6.853 1.00 13.34 H new ATOM 0 HH22 ARG A 50 20.108 -22.502 -6.131 1.00 13.34 H new ATOM 781 N ASN A 51 20.914 -17.664 -7.986 1.00 11.21 N ATOM 782 CA ASN A 51 21.656 -18.235 -6.868 1.00 31.30 C ATOM 783 C ASN A 51 21.555 -17.342 -5.635 1.00 65.31 C ATOM 784 O ASN A 51 21.232 -17.808 -4.542 1.00 34.41 O ATOM 785 CB ASN A 51 23.124 -18.432 -7.251 1.00 22.12 C ATOM 786 CG ASN A 51 23.957 -18.956 -6.097 1.00 22.00 C ATOM 787 OD1 ASN A 51 23.812 -20.107 -5.684 1.00 42.24 O ATOM 788 ND2 ASN A 51 24.836 -18.111 -5.570 1.00 52.11 N ATOM 0 H ASN A 51 21.496 -17.351 -8.763 1.00 11.21 H new ATOM 0 HA ASN A 51 21.217 -19.204 -6.629 1.00 31.30 H new ATOM 0 HB2 ASN A 51 23.188 -19.128 -8.087 1.00 22.12 H new ATOM 0 HB3 ASN A 51 23.538 -17.483 -7.593 1.00 22.12 H new ATOM 0 HD21 ASN A 51 25.424 -18.407 -4.791 1.00 52.11 H new ATOM 0 HD22 ASN A 51 24.923 -17.166 -5.944 1.00 52.11 H new ATOM 795 N LEU A 52 21.835 -16.057 -5.819 1.00 14.55 N ATOM 796 CA LEU A 52 21.775 -15.097 -4.722 1.00 2.44 C ATOM 797 C LEU A 52 20.343 -14.921 -4.228 1.00 75.44 C ATOM 798 O LEU A 52 20.110 -14.626 -3.055 1.00 61.23 O ATOM 799 CB LEU A 52 22.342 -13.748 -5.167 1.00 50.52 C ATOM 800 CG LEU A 52 22.870 -12.841 -4.055 1.00 1.02 C ATOM 801 CD1 LEU A 52 23.990 -13.530 -3.291 1.00 31.31 C ATOM 802 CD2 LEU A 52 23.351 -11.516 -4.629 1.00 74.33 C ATOM 0 H LEU A 52 22.106 -15.655 -6.717 1.00 14.55 H new ATOM 0 HA LEU A 52 22.377 -15.485 -3.901 1.00 2.44 H new ATOM 0 HB2 LEU A 52 23.152 -13.932 -5.873 1.00 50.52 H new ATOM 0 HB3 LEU A 52 21.563 -13.210 -5.708 1.00 50.52 H new ATOM 0 HG LEU A 52 22.054 -12.638 -3.361 1.00 1.02 H new ATOM 0 HD11 LEU A 52 24.353 -12.870 -2.504 1.00 31.31 H new ATOM 0 HD12 LEU A 52 23.614 -14.452 -2.847 1.00 31.31 H new ATOM 0 HD13 LEU A 52 24.807 -13.763 -3.974 1.00 31.31 H new ATOM 0 HD21 LEU A 52 23.723 -10.884 -3.823 1.00 74.33 H new ATOM 0 HD22 LEU A 52 24.152 -11.699 -5.346 1.00 74.33 H new ATOM 0 HD23 LEU A 52 22.523 -11.015 -5.130 1.00 74.33 H new ATOM 814 N LEU A 53 19.385 -15.107 -5.130 1.00 41.13 N ATOM 815 CA LEU A 53 17.974 -14.972 -4.787 1.00 13.31 C ATOM 816 C LEU A 53 17.608 -15.883 -3.620 1.00 13.35 C ATOM 817 O LEU A 53 16.901 -15.474 -2.697 1.00 71.31 O ATOM 818 CB LEU A 53 17.100 -15.300 -5.999 1.00 31.34 C ATOM 819 CG LEU A 53 16.705 -14.116 -6.882 1.00 35.42 C ATOM 820 CD1 LEU A 53 17.783 -13.045 -6.853 1.00 4.12 C ATOM 821 CD2 LEU A 53 16.447 -14.578 -8.309 1.00 21.12 C ATOM 0 H LEU A 53 19.560 -15.352 -6.105 1.00 41.13 H new ATOM 0 HA LEU A 53 17.796 -13.939 -4.488 1.00 13.31 H new ATOM 0 HB2 LEU A 53 17.628 -16.027 -6.616 1.00 31.34 H new ATOM 0 HB3 LEU A 53 16.189 -15.783 -5.645 1.00 31.34 H new ATOM 0 HG LEU A 53 15.784 -13.685 -6.489 1.00 35.42 H new ATOM 0 HD11 LEU A 53 17.484 -12.211 -7.487 1.00 4.12 H new ATOM 0 HD12 LEU A 53 17.919 -12.693 -5.830 1.00 4.12 H new ATOM 0 HD13 LEU A 53 18.720 -13.462 -7.221 1.00 4.12 H new ATOM 0 HD21 LEU A 53 16.167 -13.722 -8.923 1.00 21.12 H new ATOM 0 HD22 LEU A 53 17.351 -15.034 -8.713 1.00 21.12 H new ATOM 0 HD23 LEU A 53 15.638 -15.309 -8.314 1.00 21.12 H new ATOM 833 N LEU A 54 18.095 -17.118 -3.665 1.00 15.12 N ATOM 834 CA LEU A 54 17.821 -18.087 -2.610 1.00 32.35 C ATOM 835 C LEU A 54 18.655 -17.790 -1.367 1.00 55.13 C ATOM 836 O LEU A 54 18.138 -17.774 -0.249 1.00 43.24 O ATOM 837 CB LEU A 54 18.111 -19.505 -3.105 1.00 35.22 C ATOM 838 CG LEU A 54 17.199 -20.027 -4.216 1.00 64.23 C ATOM 839 CD1 LEU A 54 17.952 -21.001 -5.110 1.00 53.10 C ATOM 840 CD2 LEU A 54 15.963 -20.689 -3.626 1.00 11.13 C ATOM 0 H LEU A 54 18.682 -17.472 -4.421 1.00 15.12 H new ATOM 0 HA LEU A 54 16.767 -18.009 -2.345 1.00 32.35 H new ATOM 0 HB2 LEU A 54 19.141 -19.541 -3.461 1.00 35.22 H new ATOM 0 HB3 LEU A 54 18.043 -20.186 -2.256 1.00 35.22 H new ATOM 0 HG LEU A 54 16.878 -19.181 -4.823 1.00 64.23 H new ATOM 0 HD11 LEU A 54 17.288 -21.362 -5.895 1.00 53.10 H new ATOM 0 HD12 LEU A 54 18.806 -20.495 -5.561 1.00 53.10 H new ATOM 0 HD13 LEU A 54 18.303 -21.844 -4.515 1.00 53.10 H new ATOM 0 HD21 LEU A 54 15.326 -21.054 -4.432 1.00 11.13 H new ATOM 0 HD22 LEU A 54 16.264 -21.525 -2.994 1.00 11.13 H new ATOM 0 HD23 LEU A 54 15.412 -19.963 -3.028 1.00 11.13 H new ATOM 852 N HIS A 55 19.947 -17.553 -1.571 1.00 14.11 N ATOM 853 CA HIS A 55 20.852 -17.253 -0.467 1.00 51.23 C ATOM 854 C HIS A 55 20.337 -16.073 0.352 1.00 23.22 C ATOM 855 O HIS A 55 20.248 -16.147 1.578 1.00 4.30 O ATOM 856 CB HIS A 55 22.253 -16.948 -0.998 1.00 1.32 C ATOM 857 CG HIS A 55 23.348 -17.325 -0.049 1.00 23.15 C ATOM 858 ND1 HIS A 55 23.668 -16.579 1.066 1.00 21.34 N ATOM 859 CD2 HIS A 55 24.199 -18.378 -0.052 1.00 32.04 C ATOM 860 CE1 HIS A 55 24.669 -17.156 1.707 1.00 61.21 C ATOM 861 NE2 HIS A 55 25.010 -18.250 1.049 1.00 15.13 N ATOM 0 H HIS A 55 20.390 -17.563 -2.490 1.00 14.11 H new ATOM 0 HA HIS A 55 20.899 -18.129 0.181 1.00 51.23 H new ATOM 0 HB2 HIS A 55 22.400 -17.479 -1.939 1.00 1.32 H new ATOM 0 HB3 HIS A 55 22.325 -15.883 -1.219 1.00 1.32 H new ATOM 0 HD2 HIS A 55 24.234 -19.171 -0.784 1.00 32.04 H new ATOM 0 HE1 HIS A 55 25.130 -16.795 2.614 1.00 61.21 H new ATOM 0 HE2 HIS A 55 25.754 -18.894 1.315 1.00 15.13 H new ATOM 869 N LYS A 56 20.000 -14.986 -0.333 1.00 2.45 N ATOM 870 CA LYS A 56 19.494 -13.790 0.331 1.00 50.25 C ATOM 871 C LYS A 56 18.043 -13.979 0.761 1.00 21.54 C ATOM 872 O LYS A 56 17.553 -13.282 1.649 1.00 72.53 O ATOM 873 CB LYS A 56 19.607 -12.580 -0.599 1.00 51.44 C ATOM 874 CG LYS A 56 21.025 -12.054 -0.744 1.00 74.13 C ATOM 875 CD LYS A 56 21.056 -10.732 -1.494 1.00 35.55 C ATOM 876 CE LYS A 56 20.685 -9.569 -0.587 1.00 13.02 C ATOM 877 NZ LYS A 56 19.226 -9.272 -0.634 1.00 21.35 N ATOM 0 H LYS A 56 20.068 -14.908 -1.348 1.00 2.45 H new ATOM 0 HA LYS A 56 20.099 -13.615 1.221 1.00 50.25 H new ATOM 0 HB2 LYS A 56 19.227 -12.852 -1.584 1.00 51.44 H new ATOM 0 HB3 LYS A 56 18.969 -11.781 -0.221 1.00 51.44 H new ATOM 0 HG2 LYS A 56 21.468 -11.924 0.243 1.00 74.13 H new ATOM 0 HG3 LYS A 56 21.634 -12.788 -1.273 1.00 74.13 H new ATOM 0 HD2 LYS A 56 22.052 -10.570 -1.907 1.00 35.55 H new ATOM 0 HD3 LYS A 56 20.365 -10.773 -2.336 1.00 35.55 H new ATOM 0 HE2 LYS A 56 20.976 -9.801 0.438 1.00 13.02 H new ATOM 0 HE3 LYS A 56 21.246 -8.683 -0.885 1.00 13.02 H new ATOM 0 HZ1 LYS A 56 19.083 -8.277 -0.899 1.00 21.35 H new ATOM 0 HZ2 LYS A 56 18.769 -9.887 -1.337 1.00 21.35 H new ATOM 0 HZ3 LYS A 56 18.806 -9.445 0.302 1.00 21.35 H new ATOM 891 N GLY A 57 17.361 -14.929 0.128 1.00 43.14 N ATOM 892 CA GLY A 57 15.974 -15.194 0.461 1.00 51.25 C ATOM 893 C GLY A 57 15.821 -15.887 1.800 1.00 62.01 C ATOM 894 O GLY A 57 15.073 -15.428 2.664 1.00 62.45 O ATOM 0 H GLY A 57 17.745 -15.520 -0.610 1.00 43.14 H new ATOM 0 HA2 GLY A 57 15.422 -14.255 0.477 1.00 51.25 H new ATOM 0 HA3 GLY A 57 15.529 -15.813 -0.318 1.00 51.25 H new ATOM 898 N LYS A 58 16.531 -16.997 1.974 1.00 55.00 N ATOM 899 CA LYS A 58 16.471 -17.756 3.217 1.00 21.43 C ATOM 900 C LYS A 58 17.252 -17.053 4.323 1.00 50.44 C ATOM 901 O LYS A 58 17.058 -17.331 5.505 1.00 21.42 O ATOM 902 CB LYS A 58 17.026 -19.167 3.005 1.00 43.44 C ATOM 903 CG LYS A 58 18.413 -19.369 3.590 1.00 43.24 C ATOM 904 CD LYS A 58 19.463 -18.585 2.820 1.00 51.40 C ATOM 905 CE LYS A 58 20.606 -19.480 2.366 1.00 11.32 C ATOM 906 NZ LYS A 58 21.157 -20.287 3.489 1.00 24.23 N ATOM 0 H LYS A 58 17.155 -17.391 1.269 1.00 55.00 H new ATOM 0 HA LYS A 58 15.426 -17.824 3.521 1.00 21.43 H new ATOM 0 HB2 LYS A 58 16.343 -19.888 3.454 1.00 43.44 H new ATOM 0 HB3 LYS A 58 17.057 -19.379 1.936 1.00 43.44 H new ATOM 0 HG2 LYS A 58 18.417 -19.056 4.634 1.00 43.24 H new ATOM 0 HG3 LYS A 58 18.665 -20.429 3.574 1.00 43.24 H new ATOM 0 HD2 LYS A 58 19.002 -18.113 1.952 1.00 51.40 H new ATOM 0 HD3 LYS A 58 19.854 -17.784 3.448 1.00 51.40 H new ATOM 0 HE2 LYS A 58 20.255 -20.146 1.578 1.00 11.32 H new ATOM 0 HE3 LYS A 58 21.398 -18.867 1.936 1.00 11.32 H new ATOM 0 HZ1 LYS A 58 22.167 -20.471 3.321 1.00 24.23 H new ATOM 0 HZ2 LYS A 58 21.044 -19.764 4.381 1.00 24.23 H new ATOM 0 HZ3 LYS A 58 20.646 -21.191 3.551 1.00 24.23 H new ATOM 920 N GLU A 59 18.133 -16.139 3.929 1.00 45.24 N ATOM 921 CA GLU A 59 18.942 -15.395 4.887 1.00 23.44 C ATOM 922 C GLU A 59 18.111 -14.321 5.582 1.00 4.44 C ATOM 923 O GLU A 59 17.954 -14.335 6.803 1.00 15.42 O ATOM 924 CB GLU A 59 20.142 -14.754 4.187 1.00 25.54 C ATOM 925 CG GLU A 59 21.386 -15.627 4.190 1.00 22.22 C ATOM 926 CD GLU A 59 22.449 -15.126 5.149 1.00 54.31 C ATOM 927 OE1 GLU A 59 23.070 -14.084 4.854 1.00 1.44 O ATOM 928 OE2 GLU A 59 22.658 -15.776 6.194 1.00 21.24 O ATOM 0 H GLU A 59 18.305 -15.896 2.953 1.00 45.24 H new ATOM 0 HA GLU A 59 19.302 -16.095 5.640 1.00 23.44 H new ATOM 0 HB2 GLU A 59 19.871 -14.525 3.156 1.00 25.54 H new ATOM 0 HB3 GLU A 59 20.372 -13.806 4.674 1.00 25.54 H new ATOM 0 HG2 GLU A 59 21.109 -16.646 4.460 1.00 22.22 H new ATOM 0 HG3 GLU A 59 21.800 -15.666 3.183 1.00 22.22 H new ATOM 935 N VAL A 60 17.582 -13.389 4.796 1.00 43.15 N ATOM 936 CA VAL A 60 16.767 -12.306 5.334 1.00 61.53 C ATOM 937 C VAL A 60 15.655 -12.847 6.226 1.00 64.12 C ATOM 938 O VAL A 60 15.234 -12.190 7.179 1.00 71.03 O ATOM 939 CB VAL A 60 16.142 -11.462 4.208 1.00 51.41 C ATOM 940 CG1 VAL A 60 17.222 -10.917 3.286 1.00 61.02 C ATOM 941 CG2 VAL A 60 15.127 -12.283 3.427 1.00 40.21 C ATOM 0 H VAL A 60 17.703 -13.362 3.784 1.00 43.15 H new ATOM 0 HA VAL A 60 17.429 -11.675 5.926 1.00 61.53 H new ATOM 0 HB VAL A 60 15.622 -10.616 4.658 1.00 51.41 H new ATOM 0 HG11 VAL A 60 16.761 -10.323 2.497 1.00 61.02 H new ATOM 0 HG12 VAL A 60 17.907 -10.291 3.858 1.00 61.02 H new ATOM 0 HG13 VAL A 60 17.773 -11.746 2.842 1.00 61.02 H new ATOM 0 HG21 VAL A 60 14.695 -11.671 2.635 1.00 40.21 H new ATOM 0 HG22 VAL A 60 15.621 -13.149 2.987 1.00 40.21 H new ATOM 0 HG23 VAL A 60 14.336 -12.618 4.098 1.00 40.21 H new ATOM 951 N LEU A 61 15.184 -14.049 5.912 1.00 51.45 N ATOM 952 CA LEU A 61 14.120 -14.680 6.685 1.00 2.52 C ATOM 953 C LEU A 61 14.646 -15.182 8.026 1.00 44.31 C ATOM 954 O LEU A 61 13.952 -15.116 9.039 1.00 31.15 O ATOM 955 CB LEU A 61 13.509 -15.840 5.897 1.00 11.45 C ATOM 956 CG LEU A 61 12.807 -15.467 4.591 1.00 35.52 C ATOM 957 CD1 LEU A 61 12.672 -16.686 3.691 1.00 24.14 C ATOM 958 CD2 LEU A 61 11.441 -14.859 4.875 1.00 40.43 C ATOM 0 H LEU A 61 15.522 -14.606 5.127 1.00 51.45 H new ATOM 0 HA LEU A 61 13.350 -13.932 6.874 1.00 2.52 H new ATOM 0 HB2 LEU A 61 14.300 -16.555 5.670 1.00 11.45 H new ATOM 0 HB3 LEU A 61 12.791 -16.351 6.539 1.00 11.45 H new ATOM 0 HG LEU A 61 13.414 -14.724 4.074 1.00 35.52 H new ATOM 0 HD11 LEU A 61 12.170 -16.402 2.766 1.00 24.14 H new ATOM 0 HD12 LEU A 61 13.662 -17.079 3.460 1.00 24.14 H new ATOM 0 HD13 LEU A 61 12.087 -17.452 4.201 1.00 24.14 H new ATOM 0 HD21 LEU A 61 10.956 -14.599 3.934 1.00 40.43 H new ATOM 0 HD22 LEU A 61 10.826 -15.580 5.414 1.00 40.43 H new ATOM 0 HD23 LEU A 61 11.561 -13.961 5.481 1.00 40.43 H new ATOM 970 N GLU A 62 15.879 -15.681 8.023 1.00 75.01 N ATOM 971 CA GLU A 62 16.498 -16.193 9.240 1.00 54.22 C ATOM 972 C GLU A 62 17.012 -15.050 10.111 1.00 53.03 C ATOM 973 O GLU A 62 17.041 -15.155 11.337 1.00 54.21 O ATOM 974 CB GLU A 62 17.647 -17.142 8.894 1.00 40.43 C ATOM 975 CG GLU A 62 17.239 -18.605 8.859 1.00 10.21 C ATOM 976 CD GLU A 62 18.155 -19.486 9.686 1.00 0.33 C ATOM 977 OE1 GLU A 62 18.053 -19.446 10.930 1.00 2.22 O ATOM 978 OE2 GLU A 62 18.974 -20.215 9.089 1.00 72.42 O ATOM 0 H GLU A 62 16.468 -15.741 7.192 1.00 75.01 H new ATOM 0 HA GLU A 62 15.740 -16.741 9.800 1.00 54.22 H new ATOM 0 HB2 GLU A 62 18.056 -16.864 7.923 1.00 40.43 H new ATOM 0 HB3 GLU A 62 18.446 -17.014 9.625 1.00 40.43 H new ATOM 0 HG2 GLU A 62 16.218 -18.702 9.227 1.00 10.21 H new ATOM 0 HG3 GLU A 62 17.240 -18.954 7.826 1.00 10.21 H new ATOM 985 N TRP A 63 17.417 -13.961 9.468 1.00 13.30 N ATOM 986 CA TRP A 63 17.931 -12.798 10.183 1.00 34.13 C ATOM 987 C TRP A 63 16.796 -12.010 10.828 1.00 55.14 C ATOM 988 O TRP A 63 16.946 -11.471 11.923 1.00 2.44 O ATOM 989 CB TRP A 63 18.719 -11.896 9.232 1.00 10.05 C ATOM 990 CG TRP A 63 19.303 -10.690 9.905 1.00 72.42 C ATOM 991 CD1 TRP A 63 20.039 -10.669 11.055 1.00 32.40 C ATOM 992 CD2 TRP A 63 19.197 -9.331 9.469 1.00 44.23 C ATOM 993 NE1 TRP A 63 20.397 -9.378 11.360 1.00 22.52 N ATOM 994 CE2 TRP A 63 19.894 -8.539 10.402 1.00 2.31 C ATOM 995 CE3 TRP A 63 18.584 -8.706 8.380 1.00 43.44 C ATOM 996 CZ2 TRP A 63 19.992 -7.155 10.278 1.00 31.41 C ATOM 997 CZ3 TRP A 63 18.682 -7.333 8.258 1.00 11.42 C ATOM 998 CH2 TRP A 63 19.382 -6.570 9.202 1.00 11.43 C ATOM 0 H TRP A 63 17.400 -13.859 8.453 1.00 13.30 H new ATOM 0 HA TRP A 63 18.596 -13.152 10.971 1.00 34.13 H new ATOM 0 HB2 TRP A 63 19.523 -12.474 8.777 1.00 10.05 H new ATOM 0 HB3 TRP A 63 18.063 -11.571 8.424 1.00 10.05 H new ATOM 0 HD1 TRP A 63 20.301 -11.539 11.639 1.00 32.40 H new ATOM 0 HE1 TRP A 63 20.948 -9.091 12.169 1.00 22.52 H new ATOM 0 HE3 TRP A 63 18.043 -9.286 7.647 1.00 43.44 H new ATOM 0 HZ2 TRP A 63 20.530 -6.565 11.005 1.00 31.41 H new ATOM 0 HZ3 TRP A 63 18.211 -6.840 7.421 1.00 11.42 H new ATOM 0 HH2 TRP A 63 19.441 -5.499 9.078 1.00 11.43 H new ATOM 1009 N ALA A 64 15.660 -11.947 10.140 1.00 33.34 N ATOM 1010 CA ALA A 64 14.499 -11.227 10.648 1.00 53.34 C ATOM 1011 C ALA A 64 13.965 -11.872 11.922 1.00 64.41 C ATOM 1012 O ALA A 64 13.403 -11.196 12.782 1.00 12.01 O ATOM 1013 CB ALA A 64 13.409 -11.168 9.587 1.00 21.42 C ATOM 0 H ALA A 64 15.520 -12.386 9.230 1.00 33.34 H new ATOM 0 HA ALA A 64 14.811 -10.211 10.891 1.00 53.34 H new ATOM 0 HB1 ALA A 64 12.548 -10.628 9.980 1.00 21.42 H new ATOM 0 HB2 ALA A 64 13.788 -10.654 8.704 1.00 21.42 H new ATOM 0 HB3 ALA A 64 13.109 -12.180 9.316 1.00 21.42 H new ATOM 1019 N GLU A 65 14.146 -13.185 12.035 1.00 14.41 N ATOM 1020 CA GLU A 65 13.680 -13.921 13.205 1.00 43.23 C ATOM 1021 C GLU A 65 14.605 -13.689 14.397 1.00 72.45 C ATOM 1022 O GLU A 65 14.205 -13.859 15.549 1.00 61.22 O ATOM 1023 CB GLU A 65 13.596 -15.417 12.893 1.00 3.53 C ATOM 1024 CG GLU A 65 12.452 -15.781 11.962 1.00 21.25 C ATOM 1025 CD GLU A 65 11.938 -17.189 12.193 1.00 25.11 C ATOM 1026 OE1 GLU A 65 11.130 -17.381 13.125 1.00 25.34 O ATOM 1027 OE2 GLU A 65 12.345 -18.099 11.440 1.00 0.02 O ATOM 0 H GLU A 65 14.611 -13.759 11.332 1.00 14.41 H new ATOM 0 HA GLU A 65 12.686 -13.555 13.462 1.00 43.23 H new ATOM 0 HB2 GLU A 65 14.535 -15.739 12.444 1.00 3.53 H new ATOM 0 HB3 GLU A 65 13.483 -15.969 13.826 1.00 3.53 H new ATOM 0 HG2 GLU A 65 11.635 -15.073 12.101 1.00 21.25 H new ATOM 0 HG3 GLU A 65 12.785 -15.685 10.928 1.00 21.25 H new ATOM 1034 N HIS A 66 15.844 -13.301 14.110 1.00 35.14 N ATOM 1035 CA HIS A 66 16.826 -13.046 15.158 1.00 31.00 C ATOM 1036 C HIS A 66 16.445 -11.812 15.971 1.00 65.22 C ATOM 1037 O HIS A 66 16.312 -11.878 17.194 1.00 62.24 O ATOM 1038 CB HIS A 66 18.216 -12.861 14.549 1.00 60.12 C ATOM 1039 CG HIS A 66 19.106 -14.054 14.714 1.00 22.15 C ATOM 1040 ND1 HIS A 66 18.626 -15.342 14.828 1.00 53.40 N ATOM 1041 CD2 HIS A 66 20.455 -14.150 14.784 1.00 55.21 C ATOM 1042 CE1 HIS A 66 19.640 -16.177 14.962 1.00 71.52 C ATOM 1043 NE2 HIS A 66 20.761 -15.480 14.938 1.00 40.53 N ATOM 0 H HIS A 66 16.191 -13.157 13.162 1.00 35.14 H new ATOM 0 HA HIS A 66 16.842 -13.908 15.825 1.00 31.00 H new ATOM 0 HB2 HIS A 66 18.112 -12.640 13.487 1.00 60.12 H new ATOM 0 HB3 HIS A 66 18.693 -11.996 15.009 1.00 60.12 H new ATOM 0 HD2 HIS A 66 21.159 -13.333 14.729 1.00 55.21 H new ATOM 0 HE1 HIS A 66 19.565 -17.249 15.073 1.00 71.52 H new ATOM 0 HE2 HIS A 66 21.701 -15.866 15.020 1.00 40.53 H new ATOM 1051 N LEU A 67 16.273 -10.688 15.285 1.00 53.14 N ATOM 1052 CA LEU A 67 15.908 -9.438 15.943 1.00 62.11 C ATOM 1053 C LEU A 67 14.473 -9.492 16.458 1.00 64.15 C ATOM 1054 O LEU A 67 14.141 -8.867 17.464 1.00 33.32 O ATOM 1055 CB LEU A 67 16.072 -8.263 14.977 1.00 72.42 C ATOM 1056 CG LEU A 67 14.952 -8.076 13.952 1.00 2.04 C ATOM 1057 CD1 LEU A 67 13.936 -7.061 14.452 1.00 40.20 C ATOM 1058 CD2 LEU A 67 15.524 -7.644 12.610 1.00 63.40 C ATOM 0 H LEU A 67 16.380 -10.616 14.273 1.00 53.14 H new ATOM 0 HA LEU A 67 16.574 -9.296 16.794 1.00 62.11 H new ATOM 0 HB2 LEU A 67 16.159 -7.347 15.562 1.00 72.42 H new ATOM 0 HB3 LEU A 67 17.012 -8.389 14.440 1.00 72.42 H new ATOM 0 HG LEU A 67 14.445 -9.031 13.817 1.00 2.04 H new ATOM 0 HD11 LEU A 67 13.147 -6.941 13.710 1.00 40.20 H new ATOM 0 HD12 LEU A 67 13.503 -7.411 15.389 1.00 40.20 H new ATOM 0 HD13 LEU A 67 14.429 -6.103 14.616 1.00 40.20 H new ATOM 0 HD21 LEU A 67 14.713 -7.516 11.893 1.00 63.40 H new ATOM 0 HD22 LEU A 67 16.056 -6.700 12.728 1.00 63.40 H new ATOM 0 HD23 LEU A 67 16.213 -8.406 12.246 1.00 63.40 H new ATOM 1070 N ALA A 68 13.628 -10.245 15.761 1.00 42.43 N ATOM 1071 CA ALA A 68 12.230 -10.384 16.150 1.00 43.34 C ATOM 1072 C ALA A 68 12.103 -11.076 17.502 1.00 21.03 C ATOM 1073 O ALA A 68 11.213 -10.758 18.291 1.00 63.34 O ATOM 1074 CB ALA A 68 11.461 -11.153 15.086 1.00 32.22 C ATOM 0 H ALA A 68 13.887 -10.768 14.924 1.00 42.43 H new ATOM 0 HA ALA A 68 11.802 -9.386 16.241 1.00 43.34 H new ATOM 0 HB1 ALA A 68 10.418 -11.250 15.389 1.00 32.22 H new ATOM 0 HB2 ALA A 68 11.515 -10.616 14.139 1.00 32.22 H new ATOM 0 HB3 ALA A 68 11.898 -12.145 14.967 1.00 32.22 H new ATOM 1080 N GLU A 69 12.998 -12.024 17.763 1.00 0.24 N ATOM 1081 CA GLU A 69 12.983 -12.762 19.021 1.00 4.41 C ATOM 1082 C GLU A 69 13.654 -11.958 20.131 1.00 1.33 C ATOM 1083 O GLU A 69 13.416 -12.196 21.315 1.00 14.12 O ATOM 1084 CB GLU A 69 13.688 -14.110 18.855 1.00 2.44 C ATOM 1085 CG GLU A 69 12.858 -15.143 18.114 1.00 72.54 C ATOM 1086 CD GLU A 69 12.142 -16.098 19.050 1.00 52.42 C ATOM 1087 OE1 GLU A 69 12.810 -16.994 19.607 1.00 73.13 O ATOM 1088 OE2 GLU A 69 10.915 -15.948 19.225 1.00 34.34 O ATOM 0 H GLU A 69 13.742 -12.299 17.121 1.00 0.24 H new ATOM 0 HA GLU A 69 11.943 -12.935 19.299 1.00 4.41 H new ATOM 0 HB2 GLU A 69 14.625 -13.957 18.319 1.00 2.44 H new ATOM 0 HB3 GLU A 69 13.944 -14.500 19.840 1.00 2.44 H new ATOM 0 HG2 GLU A 69 12.124 -14.634 17.490 1.00 72.54 H new ATOM 0 HG3 GLU A 69 13.505 -15.712 17.446 1.00 72.54 H new ATOM 1095 N TRP A 70 14.494 -11.006 19.740 1.00 73.23 N ATOM 1096 CA TRP A 70 15.200 -10.167 20.701 1.00 31.13 C ATOM 1097 C TRP A 70 14.258 -9.687 21.800 1.00 51.02 C ATOM 1098 O TRP A 70 14.650 -9.578 22.962 1.00 11.00 O ATOM 1099 CB TRP A 70 15.833 -8.967 19.994 1.00 35.34 C ATOM 1100 CG TRP A 70 16.901 -8.296 20.804 1.00 72.52 C ATOM 1101 CD1 TRP A 70 18.167 -8.756 21.031 1.00 51.52 C ATOM 1102 CD2 TRP A 70 16.795 -7.047 21.494 1.00 1.25 C ATOM 1103 NE1 TRP A 70 18.855 -7.866 21.821 1.00 34.41 N ATOM 1104 CE2 TRP A 70 18.036 -6.809 22.118 1.00 34.54 C ATOM 1105 CE3 TRP A 70 15.774 -6.104 21.645 1.00 64.41 C ATOM 1106 CZ2 TRP A 70 18.279 -5.670 22.880 1.00 2.13 C ATOM 1107 CZ3 TRP A 70 16.018 -4.974 22.402 1.00 73.13 C ATOM 1108 CH2 TRP A 70 17.262 -4.764 23.011 1.00 51.01 C ATOM 0 H TRP A 70 14.703 -10.796 18.764 1.00 73.23 H new ATOM 0 HA TRP A 70 15.987 -10.766 21.159 1.00 31.13 H new ATOM 0 HB2 TRP A 70 16.259 -9.296 19.046 1.00 35.34 H new ATOM 0 HB3 TRP A 70 15.055 -8.241 19.759 1.00 35.34 H new ATOM 0 HD1 TRP A 70 18.568 -9.682 20.647 1.00 51.52 H new ATOM 0 HE1 TRP A 70 19.819 -7.975 22.135 1.00 34.41 H new ATOM 0 HE3 TRP A 70 14.812 -6.256 21.178 1.00 64.41 H new ATOM 0 HZ2 TRP A 70 19.237 -5.507 23.351 1.00 2.13 H new ATOM 0 HZ3 TRP A 70 15.236 -4.240 22.526 1.00 73.13 H new ATOM 0 HH2 TRP A 70 17.421 -3.870 23.595 1.00 51.01 H new ATOM 1119 N ILE A 71 13.015 -9.402 21.425 1.00 5.20 N ATOM 1120 CA ILE A 71 12.018 -8.935 22.380 1.00 42.41 C ATOM 1121 C ILE A 71 11.958 -9.845 23.602 1.00 44.11 C ATOM 1122 O ILE A 71 11.907 -9.374 24.739 1.00 51.22 O ATOM 1123 CB ILE A 71 10.619 -8.859 21.741 1.00 31.20 C ATOM 1124 CG1 ILE A 71 10.252 -10.201 21.104 1.00 20.24 C ATOM 1125 CG2 ILE A 71 10.568 -7.745 20.707 1.00 44.43 C ATOM 1126 CD1 ILE A 71 9.018 -10.139 20.232 1.00 14.13 C ATOM 0 H ILE A 71 12.675 -9.486 20.467 1.00 5.20 H new ATOM 0 HA ILE A 71 12.322 -7.935 22.690 1.00 42.41 H new ATOM 0 HB ILE A 71 9.891 -8.637 22.522 1.00 31.20 H new ATOM 0 HG12 ILE A 71 11.093 -10.552 20.505 1.00 20.24 H new ATOM 0 HG13 ILE A 71 10.093 -10.937 21.892 1.00 20.24 H new ATOM 0 HG21 ILE A 71 9.573 -7.704 20.265 1.00 44.43 H new ATOM 0 HG22 ILE A 71 10.791 -6.792 21.187 1.00 44.43 H new ATOM 0 HG23 ILE A 71 11.304 -7.939 19.927 1.00 44.43 H new ATOM 0 HD11 ILE A 71 8.818 -11.126 19.814 1.00 14.13 H new ATOM 0 HD12 ILE A 71 8.165 -9.819 20.831 1.00 14.13 H new ATOM 0 HD13 ILE A 71 9.180 -9.428 19.422 1.00 14.13 H new ATOM 1138 N LEU A 72 11.967 -11.151 23.360 1.00 23.25 N ATOM 1139 CA LEU A 72 11.916 -12.129 24.442 1.00 61.45 C ATOM 1140 C LEU A 72 13.246 -12.189 25.185 1.00 24.04 C ATOM 1141 O LEU A 72 13.278 -12.263 26.413 1.00 25.42 O ATOM 1142 CB LEU A 72 11.565 -13.512 23.889 1.00 45.14 C ATOM 1143 CG LEU A 72 10.327 -13.583 22.995 1.00 41.15 C ATOM 1144 CD1 LEU A 72 10.698 -14.085 21.608 1.00 70.41 C ATOM 1145 CD2 LEU A 72 9.267 -14.476 23.622 1.00 70.42 C ATOM 0 H LEU A 72 12.009 -11.557 22.425 1.00 23.25 H new ATOM 0 HA LEU A 72 11.143 -11.818 25.144 1.00 61.45 H new ATOM 0 HB2 LEU A 72 12.419 -13.882 23.322 1.00 45.14 H new ATOM 0 HB3 LEU A 72 11.421 -14.191 24.729 1.00 45.14 H new ATOM 0 HG LEU A 72 9.915 -12.579 22.897 1.00 41.15 H new ATOM 0 HD11 LEU A 72 9.804 -14.129 20.986 1.00 70.41 H new ATOM 0 HD12 LEU A 72 11.421 -13.406 21.157 1.00 70.41 H new ATOM 0 HD13 LEU A 72 11.135 -15.081 21.686 1.00 70.41 H new ATOM 0 HD21 LEU A 72 8.393 -14.515 22.972 1.00 70.42 H new ATOM 0 HD22 LEU A 72 9.668 -15.481 23.751 1.00 70.42 H new ATOM 0 HD23 LEU A 72 8.979 -14.073 24.593 1.00 70.42 H new ATOM 1157 N GLU A 73 14.342 -12.154 24.433 1.00 53.23 N ATOM 1158 CA GLU A 73 15.675 -12.202 25.022 1.00 34.50 C ATOM 1159 C GLU A 73 15.898 -11.020 25.960 1.00 45.54 C ATOM 1160 O GLU A 73 16.680 -11.103 26.907 1.00 22.45 O ATOM 1161 CB GLU A 73 16.741 -12.207 23.925 1.00 24.02 C ATOM 1162 CG GLU A 73 17.997 -12.977 24.300 1.00 35.01 C ATOM 1163 CD GLU A 73 18.745 -13.498 23.089 1.00 70.23 C ATOM 1164 OE1 GLU A 73 18.202 -14.378 22.388 1.00 1.23 O ATOM 1165 OE2 GLU A 73 19.874 -13.025 22.841 1.00 22.32 O ATOM 0 H GLU A 73 14.333 -12.093 23.415 1.00 53.23 H new ATOM 0 HA GLU A 73 15.756 -13.122 25.601 1.00 34.50 H new ATOM 0 HB2 GLU A 73 16.316 -12.640 23.019 1.00 24.02 H new ATOM 0 HB3 GLU A 73 17.013 -11.178 23.689 1.00 24.02 H new ATOM 0 HG2 GLU A 73 18.656 -12.330 24.879 1.00 35.01 H new ATOM 0 HG3 GLU A 73 17.727 -13.814 24.943 1.00 35.01 H new ATOM 1172 N HIS A 74 15.207 -9.917 25.688 1.00 61.33 N ATOM 1173 CA HIS A 74 15.330 -8.716 26.506 1.00 32.44 C ATOM 1174 C HIS A 74 14.364 -8.762 27.687 1.00 70.43 C ATOM 1175 O HIS A 74 14.274 -9.771 28.388 1.00 55.22 O ATOM 1176 CB HIS A 74 15.064 -7.469 25.663 1.00 75.20 C ATOM 1177 CG HIS A 74 15.360 -6.187 26.379 1.00 33.50 C ATOM 1178 ND1 HIS A 74 14.675 -5.015 26.138 1.00 61.12 N ATOM 1179 CD2 HIS A 74 16.272 -5.898 27.336 1.00 22.51 C ATOM 1180 CE1 HIS A 74 15.155 -4.060 26.914 1.00 12.02 C ATOM 1181 NE2 HIS A 74 16.125 -4.570 27.652 1.00 74.14 N ATOM 0 H HIS A 74 14.556 -9.831 24.907 1.00 61.33 H new ATOM 0 HA HIS A 74 16.348 -8.673 26.893 1.00 32.44 H new ATOM 0 HB2 HIS A 74 15.668 -7.517 24.757 1.00 75.20 H new ATOM 0 HB3 HIS A 74 14.020 -7.468 25.350 1.00 75.20 H new ATOM 0 HD2 HIS A 74 16.983 -6.585 27.771 1.00 22.51 H new ATOM 0 HE1 HIS A 74 14.813 -3.036 26.941 1.00 12.02 H new ATOM 0 HE2 HIS A 74 16.675 -4.060 28.344 1.00 74.14 H new