USER MOD reduce.3.24.130724 H: found=0, std=0, add=619, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 504 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 1 SER N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 52:sc= 0.133 USER MOD Single : A 12 THR OG1 : rot 71:sc= 0.0146 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.278 USER MOD Single : A 16 SER OG : rot -40:sc= 0.0787 USER MOD Single : A 18 GLN : amide:sc= 0.961 K(o=0.96,f=-2.1) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 CYS SG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 172:sc= 0.135 (180deg=0.0871) USER MOD Single : A 30 LYS NZ :NH3+ -164:sc= 1.03 (180deg=0.812) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 SER OG : rot 180:sc= 0.586 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0479 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.113 K(o=-0.11,f=-1.7!) USER MOD Single : A 42 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 45 LYS NZ :NH3+ 167:sc=-0.000612 (180deg=-0.125) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0.189 X(o=0.19,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.429 X(o=-0.43,f=0) USER MOD Single : A 57 ASN : amide:sc=-0.00453 X(o=-0.0045,f=-0.15) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= -0.0813 K(o=-0.081,f=-1) USER MOD Single : A 71 SER OG : rot 180:sc= 0.00635 USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -1.717 9.443 -11.078 1.00 3.43 N ATOM 2 CA SER A 1 -1.529 8.084 -11.607 1.00 10.30 C ATOM 3 C SER A 1 -0.605 7.270 -10.706 1.00 52.15 C ATOM 4 O SER A 1 0.579 7.598 -10.576 1.00 34.32 O ATOM 5 CB SER A 1 -1.000 8.097 -13.044 1.00 61.35 C ATOM 6 OG SER A 1 -0.936 6.757 -13.514 1.00 2.02 O ATOM 0 H1 SER A 1 -2.349 9.977 -11.708 1.00 3.43 H new ATOM 0 H2 SER A 1 -2.138 9.391 -10.129 1.00 3.43 H new ATOM 0 H3 SER A 1 -0.797 9.924 -11.022 1.00 3.43 H new ATOM 0 HA SER A 1 -2.510 7.608 -11.621 1.00 10.30 H new ATOM 0 HB2 SER A 1 -1.653 8.691 -13.683 1.00 61.35 H new ATOM 0 HB3 SER A 1 -0.013 8.558 -13.080 1.00 61.35 H new ATOM 0 HG SER A 1 -0.600 6.749 -14.435 1.00 2.02 H new ATOM 11 N ALA A 2 -1.117 6.162 -10.156 1.00 62.25 N ATOM 12 CA ALA A 2 -0.343 5.078 -9.554 1.00 64.35 C ATOM 13 C ALA A 2 -1.094 3.748 -9.769 1.00 53.11 C ATOM 14 O ALA A 2 -1.941 3.407 -8.942 1.00 23.43 O ATOM 15 CB ALA A 2 -0.076 5.362 -8.068 1.00 23.50 C ATOM 0 H ALA A 2 -2.122 5.993 -10.119 1.00 62.25 H new ATOM 0 HA ALA A 2 0.632 5.004 -10.035 1.00 64.35 H new ATOM 0 HB1 ALA A 2 0.501 4.543 -7.639 1.00 23.50 H new ATOM 0 HB2 ALA A 2 0.485 6.292 -7.970 1.00 23.50 H new ATOM 0 HB3 ALA A 2 -1.025 5.453 -7.539 1.00 23.50 H new ATOM 21 N PRO A 3 -0.922 3.045 -10.903 1.00 42.13 N ATOM 22 CA PRO A 3 -1.540 1.738 -11.132 1.00 43.32 C ATOM 23 C PRO A 3 -0.869 0.645 -10.273 1.00 25.10 C ATOM 24 O PRO A 3 -0.205 0.947 -9.278 1.00 10.44 O ATOM 25 CB PRO A 3 -1.416 1.521 -12.642 1.00 32.33 C ATOM 26 CG PRO A 3 -0.109 2.222 -12.988 1.00 65.15 C ATOM 27 CD PRO A 3 -0.067 3.409 -12.026 1.00 54.04 C ATOM 0 HA PRO A 3 -2.585 1.690 -10.827 1.00 43.32 H new ATOM 0 HB2 PRO A 3 -1.384 0.461 -12.895 1.00 32.33 H new ATOM 0 HB3 PRO A 3 -2.259 1.952 -13.181 1.00 32.33 H new ATOM 0 HG2 PRO A 3 0.748 1.563 -12.848 1.00 65.15 H new ATOM 0 HG3 PRO A 3 -0.093 2.549 -14.028 1.00 65.15 H new ATOM 0 HD2 PRO A 3 0.952 3.606 -11.693 1.00 54.04 H new ATOM 0 HD3 PRO A 3 -0.425 4.317 -12.511 1.00 54.04 H new ATOM 32 N GLY A 4 -1.101 -0.635 -10.584 1.00 14.44 N ATOM 33 CA GLY A 4 -0.494 -1.751 -9.861 1.00 32.21 C ATOM 34 C GLY A 4 -0.332 -3.025 -10.692 1.00 53.33 C ATOM 35 O GLY A 4 0.544 -3.830 -10.389 1.00 33.41 O ATOM 0 H GLY A 4 -1.716 -0.923 -11.345 1.00 14.44 H new ATOM 0 HA2 GLY A 4 0.485 -1.442 -9.496 1.00 32.21 H new ATOM 0 HA3 GLY A 4 -1.104 -1.977 -8.986 1.00 32.21 H new ATOM 39 N GLY A 5 -1.117 -3.204 -11.758 1.00 11.33 N ATOM 40 CA GLY A 5 -1.047 -4.371 -12.629 1.00 51.22 C ATOM 41 C GLY A 5 0.155 -4.265 -13.556 1.00 33.50 C ATOM 42 O GLY A 5 0.007 -3.904 -14.729 1.00 54.42 O ATOM 0 H GLY A 5 -1.828 -2.530 -12.041 1.00 11.33 H new ATOM 0 HA2 GLY A 5 -0.973 -5.278 -12.029 1.00 51.22 H new ATOM 0 HA3 GLY A 5 -1.962 -4.451 -13.216 1.00 51.22 H new ATOM 46 N LYS A 6 1.342 -4.530 -13.012 1.00 31.23 N ATOM 47 CA LYS A 6 2.560 -4.804 -13.753 1.00 44.44 C ATOM 48 C LYS A 6 3.478 -5.600 -12.828 1.00 53.24 C ATOM 49 O LYS A 6 3.685 -5.189 -11.678 1.00 73.10 O ATOM 50 CB LYS A 6 3.225 -3.500 -14.215 1.00 45.12 C ATOM 51 CG LYS A 6 4.340 -3.788 -15.226 1.00 43.23 C ATOM 52 CD LYS A 6 4.905 -2.474 -15.764 1.00 72.02 C ATOM 53 CE LYS A 6 5.995 -2.774 -16.794 1.00 13.41 C ATOM 54 NZ LYS A 6 6.721 -1.559 -17.206 1.00 71.22 N ATOM 0 H LYS A 6 1.481 -4.559 -12.002 1.00 31.23 H new ATOM 0 HA LYS A 6 2.344 -5.376 -14.655 1.00 44.44 H new ATOM 0 HB2 LYS A 6 2.479 -2.846 -14.666 1.00 45.12 H new ATOM 0 HB3 LYS A 6 3.635 -2.971 -13.355 1.00 45.12 H new ATOM 0 HG2 LYS A 6 5.132 -4.368 -14.752 1.00 43.23 H new ATOM 0 HG3 LYS A 6 3.952 -4.391 -16.047 1.00 43.23 H new ATOM 0 HD2 LYS A 6 4.111 -1.883 -16.220 1.00 72.02 H new ATOM 0 HD3 LYS A 6 5.315 -1.880 -14.947 1.00 72.02 H new ATOM 0 HE2 LYS A 6 6.700 -3.492 -16.376 1.00 13.41 H new ATOM 0 HE3 LYS A 6 5.546 -3.242 -17.670 1.00 13.41 H new ATOM 0 HZ1 LYS A 6 7.450 -1.810 -17.904 1.00 71.22 H new ATOM 0 HZ2 LYS A 6 6.054 -0.883 -17.629 1.00 71.22 H new ATOM 0 HZ3 LYS A 6 7.172 -1.126 -16.375 1.00 71.22 H new ATOM 64 N SER A 7 4.023 -6.698 -13.339 1.00 62.14 N ATOM 65 CA SER A 7 4.882 -7.626 -12.615 1.00 13.43 C ATOM 66 C SER A 7 6.101 -6.937 -11.986 1.00 33.02 C ATOM 67 O SER A 7 6.623 -5.952 -12.525 1.00 51.53 O ATOM 68 CB SER A 7 5.290 -8.780 -13.550 1.00 14.43 C ATOM 69 OG SER A 7 5.079 -8.514 -14.939 1.00 63.30 O ATOM 0 H SER A 7 3.872 -6.977 -14.308 1.00 62.14 H new ATOM 0 HA SER A 7 4.315 -8.032 -11.777 1.00 13.43 H new ATOM 0 HB2 SER A 7 6.345 -9.005 -13.391 1.00 14.43 H new ATOM 0 HB3 SER A 7 4.728 -9.672 -13.273 1.00 14.43 H new ATOM 0 HG SER A 7 5.498 -7.660 -15.176 1.00 63.30 H new ATOM 74 N ARG A 8 6.576 -7.471 -10.853 1.00 31.13 N ATOM 75 CA ARG A 8 7.718 -6.965 -10.094 1.00 41.22 C ATOM 76 C ARG A 8 8.247 -8.050 -9.151 1.00 64.23 C ATOM 77 O ARG A 8 7.592 -9.071 -8.966 1.00 73.12 O ATOM 78 CB ARG A 8 7.270 -5.724 -9.304 1.00 14.53 C ATOM 79 CG ARG A 8 8.417 -4.718 -9.196 1.00 4.35 C ATOM 80 CD ARG A 8 8.019 -3.466 -8.423 1.00 44.34 C ATOM 81 NE ARG A 8 6.992 -2.668 -9.120 1.00 3.41 N ATOM 82 CZ ARG A 8 7.242 -1.720 -10.032 1.00 65.22 C ATOM 83 NH1 ARG A 8 8.495 -1.434 -10.373 1.00 73.03 N ATOM 84 NH2 ARG A 8 6.237 -1.057 -10.589 1.00 13.11 N ATOM 0 H ARG A 8 6.157 -8.298 -10.427 1.00 31.13 H new ATOM 0 HA ARG A 8 8.526 -6.690 -10.772 1.00 41.22 H new ATOM 0 HB2 ARG A 8 6.416 -5.260 -9.797 1.00 14.53 H new ATOM 0 HB3 ARG A 8 6.941 -6.019 -8.307 1.00 14.53 H new ATOM 0 HG2 ARG A 8 9.267 -5.191 -8.704 1.00 4.35 H new ATOM 0 HG3 ARG A 8 8.745 -4.436 -10.196 1.00 4.35 H new ATOM 0 HD2 ARG A 8 7.644 -3.754 -7.441 1.00 44.34 H new ATOM 0 HD3 ARG A 8 8.903 -2.849 -8.259 1.00 44.34 H new ATOM 0 HE ARG A 8 6.016 -2.853 -8.889 1.00 3.41 H new ATOM 0 HH11 ARG A 8 9.269 -1.937 -9.940 1.00 73.03 H new ATOM 0 HH12 ARG A 8 8.682 -0.711 -11.068 1.00 73.03 H new ATOM 0 HH21 ARG A 8 5.276 -1.270 -10.322 1.00 13.11 H new ATOM 0 HH22 ARG A 8 6.426 -0.335 -11.284 1.00 13.11 H new ATOM 95 N ARG A 9 9.417 -7.836 -8.535 1.00 22.11 N ATOM 96 CA ARG A 9 10.017 -8.767 -7.571 1.00 70.44 C ATOM 97 C ARG A 9 10.857 -8.038 -6.527 1.00 11.42 C ATOM 98 O ARG A 9 10.953 -6.806 -6.562 1.00 33.12 O ATOM 99 CB ARG A 9 10.841 -9.826 -8.320 1.00 1.11 C ATOM 100 CG ARG A 9 12.069 -9.243 -9.046 1.00 24.03 C ATOM 101 CD ARG A 9 12.834 -10.313 -9.832 1.00 54.33 C ATOM 102 NE ARG A 9 12.044 -10.860 -10.948 1.00 50.23 N ATOM 103 CZ ARG A 9 12.430 -11.835 -11.777 1.00 11.53 C ATOM 104 NH1 ARG A 9 13.642 -12.374 -11.673 1.00 74.10 N ATOM 105 NH2 ARG A 9 11.573 -12.262 -12.691 1.00 64.01 N ATOM 0 H ARG A 9 9.980 -7.001 -8.694 1.00 22.11 H new ATOM 0 HA ARG A 9 9.215 -9.267 -7.028 1.00 70.44 H new ATOM 0 HB2 ARG A 9 11.173 -10.585 -7.612 1.00 1.11 H new ATOM 0 HB3 ARG A 9 10.201 -10.326 -9.047 1.00 1.11 H new ATOM 0 HG2 ARG A 9 11.747 -8.455 -9.726 1.00 24.03 H new ATOM 0 HG3 ARG A 9 12.736 -8.783 -8.317 1.00 24.03 H new ATOM 0 HD2 ARG A 9 13.758 -9.884 -10.220 1.00 54.33 H new ATOM 0 HD3 ARG A 9 13.116 -11.122 -9.159 1.00 54.33 H new ATOM 0 HE ARG A 9 11.119 -10.459 -11.102 1.00 50.23 H new ATOM 0 HH11 ARG A 9 14.287 -12.044 -10.955 1.00 74.10 H new ATOM 0 HH12 ARG A 9 13.926 -13.117 -12.311 1.00 74.10 H new ATOM 0 HH21 ARG A 9 10.643 -11.848 -12.751 1.00 64.01 H new ATOM 0 HH22 ARG A 9 11.843 -13.005 -13.336 1.00 64.01 H new ATOM 116 N ARG A 10 11.487 -8.787 -5.609 1.00 4.31 N ATOM 117 CA ARG A 10 12.512 -8.297 -4.686 1.00 4.42 C ATOM 118 C ARG A 10 13.722 -7.779 -5.457 1.00 54.14 C ATOM 119 O ARG A 10 14.673 -8.514 -5.700 1.00 63.34 O ATOM 120 CB ARG A 10 12.888 -9.413 -3.687 1.00 22.15 C ATOM 121 CG ARG A 10 13.879 -8.959 -2.599 1.00 24.21 C ATOM 122 CD ARG A 10 13.986 -10.028 -1.507 1.00 30.24 C ATOM 123 NE ARG A 10 14.768 -9.569 -0.346 1.00 3.13 N ATOM 124 CZ ARG A 10 14.599 -9.970 0.924 1.00 25.01 C ATOM 125 NH1 ARG A 10 13.717 -10.910 1.254 1.00 44.32 N ATOM 126 NH2 ARG A 10 15.322 -9.422 1.884 1.00 65.10 N ATOM 0 H ARG A 10 11.288 -9.780 -5.488 1.00 4.31 H new ATOM 0 HA ARG A 10 12.118 -7.457 -4.114 1.00 4.42 H new ATOM 0 HB2 ARG A 10 11.981 -9.782 -3.209 1.00 22.15 H new ATOM 0 HB3 ARG A 10 13.322 -10.249 -4.236 1.00 22.15 H new ATOM 0 HG2 ARG A 10 14.859 -8.780 -3.041 1.00 24.21 H new ATOM 0 HG3 ARG A 10 13.548 -8.016 -2.165 1.00 24.21 H new ATOM 0 HD2 ARG A 10 12.985 -10.310 -1.179 1.00 30.24 H new ATOM 0 HD3 ARG A 10 14.449 -10.923 -1.923 1.00 30.24 H new ATOM 0 HE ARG A 10 15.504 -8.885 -0.523 1.00 3.13 H new ATOM 0 HH11 ARG A 10 13.145 -11.348 0.532 1.00 44.32 H new ATOM 0 HH12 ARG A 10 13.613 -11.192 2.229 1.00 44.32 H new ATOM 0 HH21 ARG A 10 16.004 -8.698 1.659 1.00 65.10 H new ATOM 0 HH22 ARG A 10 15.198 -9.723 2.851 1.00 65.10 H new ATOM 137 N ARG A 11 13.646 -6.518 -5.883 1.00 71.12 N ATOM 138 CA ARG A 11 14.672 -5.730 -6.575 1.00 12.22 C ATOM 139 C ARG A 11 14.221 -4.265 -6.675 1.00 3.44 C ATOM 140 O ARG A 11 14.657 -3.522 -7.555 1.00 71.01 O ATOM 141 CB ARG A 11 14.966 -6.361 -7.951 1.00 61.23 C ATOM 142 CG ARG A 11 16.306 -7.119 -7.940 1.00 34.03 C ATOM 143 CD ARG A 11 16.308 -8.254 -8.964 1.00 50.33 C ATOM 144 NE ARG A 11 16.164 -7.738 -10.330 1.00 73.04 N ATOM 145 CZ ARG A 11 16.131 -8.467 -11.445 1.00 1.13 C ATOM 146 NH1 ARG A 11 16.185 -9.795 -11.428 1.00 33.11 N ATOM 147 NH2 ARG A 11 16.033 -7.861 -12.608 1.00 53.30 N ATOM 0 H ARG A 11 12.795 -5.974 -5.742 1.00 71.12 H new ATOM 0 HA ARG A 11 15.604 -5.739 -6.010 1.00 12.22 H new ATOM 0 HB2 ARG A 11 14.161 -7.044 -8.220 1.00 61.23 H new ATOM 0 HB3 ARG A 11 14.992 -5.582 -8.713 1.00 61.23 H new ATOM 0 HG2 ARG A 11 17.120 -6.427 -8.158 1.00 34.03 H new ATOM 0 HG3 ARG A 11 16.490 -7.523 -6.945 1.00 34.03 H new ATOM 0 HD2 ARG A 11 17.236 -8.819 -8.882 1.00 50.33 H new ATOM 0 HD3 ARG A 11 15.494 -8.945 -8.746 1.00 50.33 H new ATOM 0 HE ARG A 11 16.081 -6.727 -10.436 1.00 73.04 H new ATOM 0 HH11 ARG A 11 16.254 -10.291 -10.540 1.00 33.11 H new ATOM 0 HH12 ARG A 11 16.157 -10.318 -12.303 1.00 33.11 H new ATOM 0 HH21 ARG A 11 15.983 -6.843 -12.650 1.00 53.30 H new ATOM 0 HH22 ARG A 11 16.007 -8.409 -13.468 1.00 53.30 H new ATOM 158 N THR A 12 13.314 -3.856 -5.791 1.00 51.43 N ATOM 159 CA THR A 12 12.716 -2.532 -5.781 1.00 41.30 C ATOM 160 C THR A 12 12.601 -2.076 -4.323 1.00 13.51 C ATOM 161 O THR A 12 13.012 -2.788 -3.401 1.00 25.13 O ATOM 162 CB THR A 12 11.337 -2.561 -6.486 1.00 1.22 C ATOM 163 OG1 THR A 12 11.182 -3.663 -7.364 1.00 73.42 O ATOM 164 CG2 THR A 12 11.107 -1.266 -7.278 1.00 34.33 C ATOM 0 H THR A 12 12.968 -4.457 -5.043 1.00 51.43 H new ATOM 0 HA THR A 12 13.336 -1.823 -6.330 1.00 41.30 H new ATOM 0 HB THR A 12 10.599 -2.660 -5.690 1.00 1.22 H new ATOM 0 HG1 THR A 12 11.095 -4.488 -6.842 1.00 73.42 H new ATOM 0 HG21 THR A 12 10.133 -1.306 -7.766 1.00 34.33 H new ATOM 0 HG22 THR A 12 11.138 -0.414 -6.599 1.00 34.33 H new ATOM 0 HG23 THR A 12 11.886 -1.158 -8.032 1.00 34.33 H new ATOM 172 N ALA A 13 11.974 -0.919 -4.110 1.00 14.55 N ATOM 173 CA ALA A 13 11.525 -0.451 -2.808 1.00 52.41 C ATOM 174 C ALA A 13 10.617 -1.445 -2.076 1.00 30.14 C ATOM 175 O ALA A 13 10.444 -1.299 -0.870 1.00 4.41 O ATOM 176 CB ALA A 13 10.770 0.862 -3.007 1.00 14.21 C ATOM 0 H ALA A 13 11.760 -0.266 -4.864 1.00 14.55 H new ATOM 0 HA ALA A 13 12.410 -0.325 -2.185 1.00 52.41 H new ATOM 0 HB1 ALA A 13 10.423 1.232 -2.042 1.00 14.21 H new ATOM 0 HB2 ALA A 13 11.434 1.598 -3.461 1.00 14.21 H new ATOM 0 HB3 ALA A 13 9.914 0.694 -3.660 1.00 14.21 H new ATOM 182 N PHE A 14 10.027 -2.404 -2.797 1.00 24.34 N ATOM 183 CA PHE A 14 9.135 -3.448 -2.319 1.00 42.14 C ATOM 184 C PHE A 14 9.467 -4.725 -3.109 1.00 10.54 C ATOM 185 O PHE A 14 10.294 -4.679 -4.035 1.00 61.31 O ATOM 186 CB PHE A 14 7.680 -2.998 -2.525 1.00 32.02 C ATOM 187 CG PHE A 14 7.349 -1.689 -1.821 1.00 70.14 C ATOM 188 CD1 PHE A 14 7.648 -0.466 -2.447 1.00 73.42 C ATOM 189 CD2 PHE A 14 6.754 -1.675 -0.549 1.00 2.43 C ATOM 190 CE1 PHE A 14 7.378 0.756 -1.803 1.00 22.02 C ATOM 191 CE2 PHE A 14 6.449 -0.461 0.090 1.00 52.22 C ATOM 192 CZ PHE A 14 6.775 0.753 -0.530 1.00 64.34 C ATOM 0 H PHE A 14 10.176 -2.469 -3.804 1.00 24.34 H new ATOM 0 HA PHE A 14 9.263 -3.645 -1.255 1.00 42.14 H new ATOM 0 HB2 PHE A 14 7.489 -2.887 -3.592 1.00 32.02 H new ATOM 0 HB3 PHE A 14 7.011 -3.778 -2.161 1.00 32.02 H new ATOM 0 HD1 PHE A 14 8.090 -0.464 -3.433 1.00 73.42 H new ATOM 0 HD2 PHE A 14 6.528 -2.609 -0.056 1.00 2.43 H new ATOM 0 HE1 PHE A 14 7.632 1.690 -2.282 1.00 22.02 H new ATOM 0 HE2 PHE A 14 5.965 -0.464 1.056 1.00 52.22 H new ATOM 0 HZ PHE A 14 6.564 1.687 -0.031 1.00 64.34 H new ATOM 201 N THR A 15 8.824 -5.842 -2.773 1.00 72.01 N ATOM 202 CA THR A 15 9.041 -7.152 -3.378 1.00 22.12 C ATOM 203 C THR A 15 7.746 -7.622 -4.053 1.00 65.41 C ATOM 204 O THR A 15 6.866 -6.796 -4.283 1.00 45.34 O ATOM 205 CB THR A 15 9.593 -8.126 -2.320 1.00 74.21 C ATOM 206 OG1 THR A 15 8.615 -8.418 -1.351 1.00 61.10 O ATOM 207 CG2 THR A 15 10.779 -7.547 -1.546 1.00 45.54 C ATOM 0 H THR A 15 8.111 -5.858 -2.044 1.00 72.01 H new ATOM 0 HA THR A 15 9.795 -7.103 -4.164 1.00 22.12 H new ATOM 0 HB THR A 15 9.899 -9.010 -2.879 1.00 74.21 H new ATOM 0 HG1 THR A 15 8.985 -9.039 -0.690 1.00 61.10 H new ATOM 0 HG21 THR A 15 11.127 -8.276 -0.814 1.00 45.54 H new ATOM 0 HG22 THR A 15 11.587 -7.314 -2.239 1.00 45.54 H new ATOM 0 HG23 THR A 15 10.469 -6.637 -1.032 1.00 45.54 H new ATOM 215 N SER A 16 7.633 -8.905 -4.420 1.00 22.35 N ATOM 216 CA SER A 16 6.347 -9.469 -4.828 1.00 50.14 C ATOM 217 C SER A 16 5.404 -9.527 -3.632 1.00 12.23 C ATOM 218 O SER A 16 4.261 -9.088 -3.729 1.00 61.50 O ATOM 219 CB SER A 16 6.560 -10.870 -5.401 1.00 63.13 C ATOM 220 OG SER A 16 7.354 -10.791 -6.570 1.00 31.14 O ATOM 0 H SER A 16 8.411 -9.564 -4.442 1.00 22.35 H new ATOM 0 HA SER A 16 5.902 -8.836 -5.595 1.00 50.14 H new ATOM 0 HB2 SER A 16 7.047 -11.506 -4.661 1.00 63.13 H new ATOM 0 HB3 SER A 16 5.599 -11.329 -5.633 1.00 63.13 H new ATOM 0 HG SER A 16 7.088 -10.006 -7.093 1.00 31.14 H new ATOM 225 N GLU A 17 5.919 -10.040 -2.512 1.00 42.44 N ATOM 226 CA GLU A 17 5.255 -10.104 -1.215 1.00 13.01 C ATOM 227 C GLU A 17 4.769 -8.714 -0.861 1.00 61.14 C ATOM 228 O GLU A 17 3.567 -8.494 -0.896 1.00 11.34 O ATOM 229 CB GLU A 17 6.241 -10.703 -0.210 1.00 71.52 C ATOM 230 CG GLU A 17 6.338 -12.208 -0.464 1.00 41.02 C ATOM 231 CD GLU A 17 7.263 -12.874 0.544 1.00 31.41 C ATOM 232 OE1 GLU A 17 8.488 -12.574 0.469 1.00 13.31 O ATOM 233 OE2 GLU A 17 6.803 -13.721 1.330 1.00 35.51 O ATOM 0 H GLU A 17 6.857 -10.441 -2.488 1.00 42.44 H new ATOM 0 HA GLU A 17 4.376 -10.748 -1.216 1.00 13.01 H new ATOM 0 HB2 GLU A 17 7.221 -10.237 -0.316 1.00 71.52 H new ATOM 0 HB3 GLU A 17 5.906 -10.512 0.809 1.00 71.52 H new ATOM 0 HG2 GLU A 17 5.346 -12.655 -0.403 1.00 41.02 H new ATOM 0 HG3 GLU A 17 6.706 -12.387 -1.474 1.00 41.02 H new ATOM 238 N GLN A 18 5.673 -7.754 -0.632 1.00 30.44 N ATOM 239 CA GLN A 18 5.328 -6.429 -0.120 1.00 32.44 C ATOM 240 C GLN A 18 4.626 -5.559 -1.194 1.00 3.45 C ATOM 241 O GLN A 18 4.580 -4.342 -1.073 1.00 62.31 O ATOM 242 CB GLN A 18 6.616 -5.716 0.332 1.00 50.30 C ATOM 243 CG GLN A 18 7.356 -6.297 1.545 1.00 61.20 C ATOM 244 CD GLN A 18 8.747 -5.677 1.698 1.00 73.23 C ATOM 245 OE1 GLN A 18 9.408 -5.295 0.735 1.00 72.10 O ATOM 246 NE2 GLN A 18 9.269 -5.604 2.908 1.00 73.00 N ATOM 0 H GLN A 18 6.671 -7.879 -0.799 1.00 30.44 H new ATOM 0 HA GLN A 18 4.639 -6.560 0.714 1.00 32.44 H new ATOM 0 HB2 GLN A 18 7.308 -5.704 -0.510 1.00 50.30 H new ATOM 0 HB3 GLN A 18 6.366 -4.679 0.555 1.00 50.30 H new ATOM 0 HG2 GLN A 18 6.774 -6.117 2.449 1.00 61.20 H new ATOM 0 HG3 GLN A 18 7.447 -7.378 1.434 1.00 61.20 H new ATOM 0 HE21 GLN A 18 8.731 -5.918 3.715 1.00 73.00 H new ATOM 0 HE22 GLN A 18 10.211 -5.234 3.036 1.00 73.00 H new ATOM 253 N LEU A 19 4.127 -6.128 -2.290 1.00 64.44 N ATOM 254 CA LEU A 19 3.149 -5.531 -3.193 1.00 74.21 C ATOM 255 C LEU A 19 1.829 -6.298 -3.262 1.00 74.10 C ATOM 256 O LEU A 19 0.859 -5.794 -3.830 1.00 21.55 O ATOM 257 CB LEU A 19 3.773 -5.490 -4.588 1.00 72.31 C ATOM 258 CG LEU A 19 4.805 -4.378 -4.740 1.00 2.34 C ATOM 259 CD1 LEU A 19 5.326 -4.442 -6.163 1.00 31.55 C ATOM 260 CD2 LEU A 19 4.230 -2.994 -4.477 1.00 64.32 C ATOM 0 H LEU A 19 4.408 -7.063 -2.585 1.00 64.44 H new ATOM 0 HA LEU A 19 2.908 -4.538 -2.813 1.00 74.21 H new ATOM 0 HB2 LEU A 19 4.246 -6.449 -4.798 1.00 72.31 H new ATOM 0 HB3 LEU A 19 2.986 -5.353 -5.329 1.00 72.31 H new ATOM 0 HG LEU A 19 5.593 -4.531 -4.003 1.00 2.34 H new ATOM 0 HD11 LEU A 19 6.070 -3.660 -6.314 1.00 31.55 H new ATOM 0 HD12 LEU A 19 5.783 -5.416 -6.340 1.00 31.55 H new ATOM 0 HD13 LEU A 19 4.500 -4.297 -6.860 1.00 31.55 H new ATOM 0 HD21 LEU A 19 5.013 -2.245 -4.601 1.00 64.32 H new ATOM 0 HD22 LEU A 19 3.423 -2.795 -5.182 1.00 64.32 H new ATOM 0 HD23 LEU A 19 3.842 -2.949 -3.459 1.00 64.32 H new ATOM 271 N LEU A 20 1.787 -7.520 -2.748 1.00 54.11 N ATOM 272 CA LEU A 20 0.589 -8.335 -2.592 1.00 52.43 C ATOM 273 C LEU A 20 -0.049 -8.050 -1.230 1.00 65.50 C ATOM 274 O LEU A 20 -1.217 -7.680 -1.158 1.00 5.12 O ATOM 275 CB LEU A 20 0.990 -9.810 -2.701 1.00 30.25 C ATOM 276 CG LEU A 20 -0.236 -10.733 -2.669 1.00 65.42 C ATOM 277 CD1 LEU A 20 -0.960 -10.760 -4.022 1.00 2.02 C ATOM 278 CD2 LEU A 20 0.224 -12.132 -2.284 1.00 64.24 C ATOM 0 H LEU A 20 2.627 -7.992 -2.413 1.00 54.11 H new ATOM 0 HA LEU A 20 -0.139 -8.098 -3.368 1.00 52.43 H new ATOM 0 HB2 LEU A 20 1.542 -9.970 -3.627 1.00 30.25 H new ATOM 0 HB3 LEU A 20 1.661 -10.067 -1.881 1.00 30.25 H new ATOM 0 HG LEU A 20 -0.947 -10.354 -1.935 1.00 65.42 H new ATOM 0 HD11 LEU A 20 -1.822 -11.424 -3.960 1.00 2.02 H new ATOM 0 HD12 LEU A 20 -1.294 -9.754 -4.276 1.00 2.02 H new ATOM 0 HD13 LEU A 20 -0.278 -11.121 -4.792 1.00 2.02 H new ATOM 0 HD21 LEU A 20 -0.635 -12.803 -2.256 1.00 64.24 H new ATOM 0 HD22 LEU A 20 0.943 -12.494 -3.019 1.00 64.24 H new ATOM 0 HD23 LEU A 20 0.694 -12.103 -1.301 1.00 64.24 H new ATOM 289 N GLU A 21 0.721 -8.177 -0.151 1.00 63.13 N ATOM 290 CA GLU A 21 0.272 -7.958 1.229 1.00 62.11 C ATOM 291 C GLU A 21 -0.210 -6.522 1.477 1.00 31.33 C ATOM 292 O GLU A 21 -0.974 -6.245 2.402 1.00 1.23 O ATOM 293 CB GLU A 21 1.407 -8.355 2.183 1.00 55.14 C ATOM 294 CG GLU A 21 2.782 -7.727 1.966 1.00 34.54 C ATOM 295 CD GLU A 21 3.946 -8.753 2.007 1.00 11.34 C ATOM 296 OE1 GLU A 21 3.729 -9.959 1.743 1.00 53.12 O ATOM 297 OE2 GLU A 21 5.099 -8.318 2.219 1.00 42.14 O ATOM 0 H GLU A 21 1.704 -8.443 -0.211 1.00 63.13 H new ATOM 0 HA GLU A 21 -0.599 -8.586 1.416 1.00 62.11 H new ATOM 0 HB2 GLU A 21 1.088 -8.117 3.198 1.00 55.14 H new ATOM 0 HB3 GLU A 21 1.523 -9.438 2.131 1.00 55.14 H new ATOM 0 HG2 GLU A 21 2.792 -7.217 1.003 1.00 34.54 H new ATOM 0 HG3 GLU A 21 2.950 -6.968 2.730 1.00 34.54 H new ATOM 302 N LEU A 22 0.199 -5.606 0.606 1.00 53.11 N ATOM 303 CA LEU A 22 -0.140 -4.197 0.677 1.00 44.43 C ATOM 304 C LEU A 22 -1.555 -3.965 0.172 1.00 52.31 C ATOM 305 O LEU A 22 -2.332 -3.249 0.806 1.00 74.12 O ATOM 306 CB LEU A 22 0.901 -3.412 -0.137 1.00 41.14 C ATOM 307 CG LEU A 22 2.008 -2.893 0.791 1.00 74.21 C ATOM 308 CD1 LEU A 22 2.778 -4.023 1.485 1.00 12.04 C ATOM 309 CD2 LEU A 22 2.940 -1.944 0.023 1.00 62.14 C ATOM 0 H LEU A 22 0.793 -5.834 -0.191 1.00 53.11 H new ATOM 0 HA LEU A 22 -0.117 -3.848 1.709 1.00 44.43 H new ATOM 0 HB2 LEU A 22 1.331 -4.052 -0.907 1.00 41.14 H new ATOM 0 HB3 LEU A 22 0.421 -2.577 -0.648 1.00 41.14 H new ATOM 0 HG LEU A 22 1.531 -2.330 1.593 1.00 74.21 H new ATOM 0 HD11 LEU A 22 3.548 -3.597 2.128 1.00 12.04 H new ATOM 0 HD12 LEU A 22 2.090 -4.616 2.087 1.00 12.04 H new ATOM 0 HD13 LEU A 22 3.245 -4.660 0.734 1.00 12.04 H new ATOM 0 HD21 LEU A 22 3.721 -1.582 0.691 1.00 62.14 H new ATOM 0 HD22 LEU A 22 3.395 -2.477 -0.812 1.00 62.14 H new ATOM 0 HD23 LEU A 22 2.366 -1.098 -0.356 1.00 62.14 H new ATOM 320 N GLU A 23 -1.922 -4.565 -0.962 1.00 4.02 N ATOM 321 CA GLU A 23 -3.281 -4.451 -1.445 1.00 14.02 C ATOM 322 C GLU A 23 -4.261 -5.251 -0.597 1.00 63.21 C ATOM 323 O GLU A 23 -5.436 -4.884 -0.554 1.00 70.11 O ATOM 324 CB GLU A 23 -3.383 -4.815 -2.924 1.00 64.33 C ATOM 325 CG GLU A 23 -2.906 -6.232 -3.280 1.00 34.11 C ATOM 326 CD GLU A 23 -3.520 -6.757 -4.580 1.00 73.21 C ATOM 327 OE1 GLU A 23 -4.233 -6.005 -5.295 1.00 5.04 O ATOM 328 OE2 GLU A 23 -3.421 -7.974 -4.840 1.00 4.45 O ATOM 0 H GLU A 23 -1.302 -5.124 -1.548 1.00 4.02 H new ATOM 0 HA GLU A 23 -3.566 -3.403 -1.348 1.00 14.02 H new ATOM 0 HB2 GLU A 23 -4.421 -4.708 -3.238 1.00 64.33 H new ATOM 0 HB3 GLU A 23 -2.800 -4.096 -3.500 1.00 64.33 H new ATOM 0 HG2 GLU A 23 -1.820 -6.232 -3.371 1.00 34.11 H new ATOM 0 HG3 GLU A 23 -3.158 -6.910 -2.465 1.00 34.11 H new ATOM 333 N LYS A 24 -3.784 -6.297 0.084 1.00 22.31 N ATOM 334 CA LYS A 24 -4.576 -7.093 1.007 1.00 62.24 C ATOM 335 C LYS A 24 -5.211 -6.172 2.056 1.00 21.54 C ATOM 336 O LYS A 24 -6.439 -6.091 2.121 1.00 51.11 O ATOM 337 CB LYS A 24 -3.699 -8.194 1.629 1.00 51.12 C ATOM 338 CG LYS A 24 -4.018 -9.638 1.198 1.00 51.04 C ATOM 339 CD LYS A 24 -3.185 -10.154 0.015 1.00 3.04 C ATOM 340 CE LYS A 24 -3.679 -9.708 -1.367 1.00 73.34 C ATOM 341 NZ LYS A 24 -4.850 -10.485 -1.830 1.00 64.32 N ATOM 0 H LYS A 24 -2.818 -6.615 0.003 1.00 22.31 H new ATOM 0 HA LYS A 24 -5.388 -7.595 0.481 1.00 62.24 H new ATOM 0 HB2 LYS A 24 -2.658 -7.984 1.382 1.00 51.12 H new ATOM 0 HB3 LYS A 24 -3.788 -8.132 2.714 1.00 51.12 H new ATOM 0 HG2 LYS A 24 -3.863 -10.300 2.050 1.00 51.04 H new ATOM 0 HG3 LYS A 24 -5.074 -9.699 0.935 1.00 51.04 H new ATOM 0 HD2 LYS A 24 -2.155 -9.820 0.142 1.00 3.04 H new ATOM 0 HD3 LYS A 24 -3.173 -11.243 0.046 1.00 3.04 H new ATOM 0 HE2 LYS A 24 -3.940 -8.650 -1.332 1.00 73.34 H new ATOM 0 HE3 LYS A 24 -2.869 -9.812 -2.089 1.00 73.34 H new ATOM 0 HZ1 LYS A 24 -5.144 -10.144 -2.768 1.00 64.32 H new ATOM 0 HZ2 LYS A 24 -4.596 -11.492 -1.891 1.00 64.32 H new ATOM 0 HZ3 LYS A 24 -5.634 -10.366 -1.157 1.00 64.32 H new ATOM 351 N GLU A 25 -4.397 -5.430 2.810 1.00 32.11 N ATOM 352 CA GLU A 25 -4.844 -4.641 3.959 1.00 54.41 C ATOM 353 C GLU A 25 -5.880 -3.572 3.595 1.00 4.31 C ATOM 354 O GLU A 25 -6.830 -3.324 4.345 1.00 24.42 O ATOM 355 CB GLU A 25 -3.624 -3.978 4.630 1.00 52.41 C ATOM 356 CG GLU A 25 -2.943 -4.878 5.659 1.00 2.32 C ATOM 357 CD GLU A 25 -3.859 -5.172 6.841 1.00 40.03 C ATOM 358 OE1 GLU A 25 -4.076 -4.264 7.680 1.00 73.10 O ATOM 359 OE2 GLU A 25 -4.440 -6.277 6.900 1.00 41.24 O ATOM 0 H GLU A 25 -3.394 -5.360 2.637 1.00 32.11 H new ATOM 0 HA GLU A 25 -5.336 -5.329 4.646 1.00 54.41 H new ATOM 0 HB2 GLU A 25 -2.901 -3.701 3.863 1.00 52.41 H new ATOM 0 HB3 GLU A 25 -3.941 -3.056 5.116 1.00 52.41 H new ATOM 0 HG2 GLU A 25 -2.647 -5.814 5.185 1.00 2.32 H new ATOM 0 HG3 GLU A 25 -2.031 -4.399 6.015 1.00 2.32 H new ATOM 364 N PHE A 26 -5.726 -2.919 2.440 1.00 11.01 N ATOM 365 CA PHE A 26 -6.568 -1.776 2.096 1.00 14.13 C ATOM 366 C PHE A 26 -7.990 -2.225 1.738 1.00 42.11 C ATOM 367 O PHE A 26 -8.908 -1.402 1.682 1.00 32.43 O ATOM 368 CB PHE A 26 -5.925 -0.983 0.951 1.00 30.54 C ATOM 369 CG PHE A 26 -6.598 0.343 0.619 1.00 41.42 C ATOM 370 CD1 PHE A 26 -6.672 1.361 1.589 1.00 53.42 C ATOM 371 CD2 PHE A 26 -7.148 0.571 -0.658 1.00 72.21 C ATOM 372 CE1 PHE A 26 -7.314 2.577 1.292 1.00 5.32 C ATOM 373 CE2 PHE A 26 -7.783 1.791 -0.958 1.00 63.52 C ATOM 374 CZ PHE A 26 -7.875 2.793 0.022 1.00 11.01 C ATOM 0 H PHE A 26 -5.031 -3.162 1.734 1.00 11.01 H new ATOM 0 HA PHE A 26 -6.648 -1.124 2.966 1.00 14.13 H new ATOM 0 HB2 PHE A 26 -4.883 -0.789 1.206 1.00 30.54 H new ATOM 0 HB3 PHE A 26 -5.924 -1.605 0.056 1.00 30.54 H new ATOM 0 HD1 PHE A 26 -6.234 1.208 2.564 1.00 53.42 H new ATOM 0 HD2 PHE A 26 -7.082 -0.198 -1.414 1.00 72.21 H new ATOM 0 HE1 PHE A 26 -7.376 3.349 2.045 1.00 5.32 H new ATOM 0 HE2 PHE A 26 -8.199 1.956 -1.941 1.00 63.52 H new ATOM 0 HZ PHE A 26 -8.374 3.725 -0.199 1.00 11.01 H new ATOM 383 N HIS A 27 -8.197 -3.523 1.505 1.00 73.24 N ATOM 384 CA HIS A 27 -9.511 -4.079 1.242 1.00 61.11 C ATOM 385 C HIS A 27 -10.411 -3.969 2.482 1.00 15.33 C ATOM 386 O HIS A 27 -11.632 -3.882 2.323 1.00 43.24 O ATOM 387 CB HIS A 27 -9.345 -5.526 0.760 1.00 15.14 C ATOM 388 CG HIS A 27 -10.268 -5.878 -0.381 1.00 51.03 C ATOM 389 ND1 HIS A 27 -9.951 -5.768 -1.716 1.00 11.02 N ATOM 390 CD2 HIS A 27 -11.548 -6.355 -0.298 1.00 3.44 C ATOM 391 CE1 HIS A 27 -10.999 -6.195 -2.435 1.00 3.33 C ATOM 392 NE2 HIS A 27 -12.010 -6.534 -1.612 1.00 41.11 N ATOM 0 H HIS A 27 -7.448 -4.216 1.495 1.00 73.24 H new ATOM 0 HA HIS A 27 -10.009 -3.510 0.457 1.00 61.11 H new ATOM 0 HB2 HIS A 27 -8.313 -5.682 0.446 1.00 15.14 H new ATOM 0 HB3 HIS A 27 -9.531 -6.204 1.593 1.00 15.14 H new ATOM 0 HD2 HIS A 27 -12.100 -6.556 0.608 1.00 3.44 H new ATOM 0 HE1 HIS A 27 -11.028 -6.258 -3.513 1.00 3.33 H new ATOM 0 HE2 HIS A 27 -12.936 -6.859 -1.890 1.00 41.11 H new ATOM 399 N CYS A 28 -9.825 -3.900 3.688 1.00 13.03 N ATOM 400 CA CYS A 28 -10.539 -3.930 4.963 1.00 60.50 C ATOM 401 C CYS A 28 -10.228 -2.686 5.803 1.00 51.20 C ATOM 402 O CYS A 28 -11.130 -1.916 6.136 1.00 54.30 O ATOM 403 CB CYS A 28 -10.181 -5.201 5.746 1.00 60.23 C ATOM 404 SG CYS A 28 -10.236 -6.691 4.717 1.00 31.44 S ATOM 0 H CYS A 28 -8.814 -3.820 3.800 1.00 13.03 H new ATOM 0 HA CYS A 28 -11.608 -3.935 4.748 1.00 60.50 H new ATOM 0 HB2 CYS A 28 -9.183 -5.093 6.170 1.00 60.23 H new ATOM 0 HB3 CYS A 28 -10.871 -5.315 6.582 1.00 60.23 H new ATOM 0 HG CYS A 28 -9.922 -7.727 5.437 1.00 31.44 H new ATOM 409 N LYS A 29 -8.965 -2.455 6.173 1.00 2.31 N ATOM 410 CA LYS A 29 -8.593 -1.321 7.017 1.00 23.35 C ATOM 411 C LYS A 29 -8.163 -0.190 6.097 1.00 1.41 C ATOM 412 O LYS A 29 -6.984 -0.010 5.793 1.00 44.03 O ATOM 413 CB LYS A 29 -7.552 -1.709 8.080 1.00 53.10 C ATOM 414 CG LYS A 29 -8.156 -2.467 9.287 1.00 61.31 C ATOM 415 CD LYS A 29 -8.523 -3.952 9.103 1.00 44.00 C ATOM 416 CE LYS A 29 -7.588 -4.934 9.826 1.00 24.15 C ATOM 417 NZ LYS A 29 -6.347 -5.203 9.079 1.00 14.21 N ATOM 0 H LYS A 29 -8.179 -3.044 5.898 1.00 2.31 H new ATOM 0 HA LYS A 29 -9.442 -0.979 7.608 1.00 23.35 H new ATOM 0 HB2 LYS A 29 -6.786 -2.331 7.617 1.00 53.10 H new ATOM 0 HB3 LYS A 29 -7.057 -0.807 8.439 1.00 53.10 H new ATOM 0 HG2 LYS A 29 -7.447 -2.399 10.112 1.00 61.31 H new ATOM 0 HG3 LYS A 29 -9.057 -1.937 9.596 1.00 61.31 H new ATOM 0 HD2 LYS A 29 -9.541 -4.109 9.461 1.00 44.00 H new ATOM 0 HD3 LYS A 29 -8.520 -4.185 8.038 1.00 44.00 H new ATOM 0 HE2 LYS A 29 -7.335 -4.531 10.807 1.00 24.15 H new ATOM 0 HE3 LYS A 29 -8.116 -5.873 9.993 1.00 24.15 H new ATOM 0 HZ1 LYS A 29 -5.699 -5.761 9.671 1.00 14.21 H new ATOM 0 HZ2 LYS A 29 -6.571 -5.736 8.214 1.00 14.21 H new ATOM 0 HZ3 LYS A 29 -5.894 -4.303 8.823 1.00 14.21 H new ATOM 427 N LYS A 30 -9.147 0.582 5.632 1.00 15.12 N ATOM 428 CA LYS A 30 -8.930 1.712 4.729 1.00 20.13 C ATOM 429 C LYS A 30 -7.983 2.753 5.332 1.00 61.20 C ATOM 430 O LYS A 30 -7.349 3.494 4.574 1.00 20.42 O ATOM 431 CB LYS A 30 -10.278 2.361 4.368 1.00 21.45 C ATOM 432 CG LYS A 30 -11.195 1.486 3.495 1.00 52.01 C ATOM 433 CD LYS A 30 -10.737 1.413 2.032 1.00 40.14 C ATOM 434 CE LYS A 30 -11.709 0.616 1.150 1.00 51.41 C ATOM 435 NZ LYS A 30 -11.707 -0.839 1.421 1.00 52.03 N ATOM 0 H LYS A 30 -10.127 0.438 5.875 1.00 15.12 H new ATOM 0 HA LYS A 30 -8.458 1.329 3.825 1.00 20.13 H new ATOM 0 HB2 LYS A 30 -10.805 2.611 5.289 1.00 21.45 H new ATOM 0 HB3 LYS A 30 -10.087 3.299 3.846 1.00 21.45 H new ATOM 0 HG2 LYS A 30 -11.230 0.479 3.910 1.00 52.01 H new ATOM 0 HG3 LYS A 30 -12.210 1.882 3.533 1.00 52.01 H new ATOM 0 HD2 LYS A 30 -10.637 2.423 1.635 1.00 40.14 H new ATOM 0 HD3 LYS A 30 -9.750 0.953 1.986 1.00 40.14 H new ATOM 0 HE2 LYS A 30 -12.718 1.002 1.297 1.00 51.41 H new ATOM 0 HE3 LYS A 30 -11.454 0.781 0.103 1.00 51.41 H new ATOM 0 HZ1 LYS A 30 -12.164 -1.340 0.632 1.00 52.03 H new ATOM 0 HZ2 LYS A 30 -10.727 -1.172 1.521 1.00 52.03 H new ATOM 0 HZ3 LYS A 30 -12.228 -1.029 2.301 1.00 52.03 H new ATOM 445 N TYR A 31 -7.871 2.853 6.656 1.00 33.23 N ATOM 446 CA TYR A 31 -7.003 3.809 7.325 1.00 71.41 C ATOM 447 C TYR A 31 -6.369 3.079 8.505 1.00 54.34 C ATOM 448 O TYR A 31 -6.984 2.917 9.556 1.00 33.45 O ATOM 449 CB TYR A 31 -7.777 5.045 7.793 1.00 52.04 C ATOM 450 CG TYR A 31 -8.587 5.815 6.759 1.00 22.35 C ATOM 451 CD1 TYR A 31 -9.935 5.482 6.530 1.00 63.10 C ATOM 452 CD2 TYR A 31 -8.037 6.942 6.121 1.00 15.11 C ATOM 453 CE1 TYR A 31 -10.743 6.286 5.709 1.00 13.32 C ATOM 454 CE2 TYR A 31 -8.846 7.766 5.314 1.00 70.22 C ATOM 455 CZ TYR A 31 -10.214 7.455 5.124 1.00 51.43 C ATOM 456 OH TYR A 31 -11.013 8.272 4.380 1.00 22.22 O ATOM 0 H TYR A 31 -8.392 2.259 7.301 1.00 33.23 H new ATOM 0 HA TYR A 31 -6.240 4.174 6.637 1.00 71.41 H new ATOM 0 HB2 TYR A 31 -8.457 4.733 8.585 1.00 52.04 H new ATOM 0 HB3 TYR A 31 -7.063 5.737 8.240 1.00 52.04 H new ATOM 0 HD1 TYR A 31 -10.353 4.599 6.990 1.00 63.10 H new ATOM 0 HD2 TYR A 31 -6.991 7.176 6.250 1.00 15.11 H new ATOM 0 HE1 TYR A 31 -11.771 6.009 5.526 1.00 13.32 H new ATOM 0 HE2 TYR A 31 -8.421 8.638 4.839 1.00 70.22 H new ATOM 0 HH TYR A 31 -10.489 9.032 4.052 1.00 22.22 H new ATOM 465 N LEU A 32 -5.144 2.606 8.296 1.00 71.14 N ATOM 466 CA LEU A 32 -4.369 1.880 9.300 1.00 74.53 C ATOM 467 C LEU A 32 -4.194 2.735 10.546 1.00 31.13 C ATOM 468 O LEU A 32 -3.863 3.918 10.430 1.00 61.44 O ATOM 469 CB LEU A 32 -2.978 1.503 8.761 1.00 20.52 C ATOM 470 CG LEU A 32 -2.970 0.577 7.533 1.00 61.53 C ATOM 471 CD1 LEU A 32 -1.521 0.354 7.087 1.00 52.41 C ATOM 472 CD2 LEU A 32 -3.644 -0.757 7.844 1.00 24.15 C ATOM 0 H LEU A 32 -4.653 2.718 7.409 1.00 71.14 H new ATOM 0 HA LEU A 32 -4.916 0.969 9.544 1.00 74.53 H new ATOM 0 HB2 LEU A 32 -2.446 2.420 8.506 1.00 20.52 H new ATOM 0 HB3 LEU A 32 -2.416 1.021 9.561 1.00 20.52 H new ATOM 0 HG LEU A 32 -3.534 1.049 6.729 1.00 61.53 H new ATOM 0 HD11 LEU A 32 -1.505 -0.302 6.216 1.00 52.41 H new ATOM 0 HD12 LEU A 32 -1.068 1.311 6.829 1.00 52.41 H new ATOM 0 HD13 LEU A 32 -0.957 -0.106 7.898 1.00 52.41 H new ATOM 0 HD21 LEU A 32 -3.623 -1.391 6.957 1.00 24.15 H new ATOM 0 HD22 LEU A 32 -3.113 -1.252 8.657 1.00 24.15 H new ATOM 0 HD23 LEU A 32 -4.678 -0.582 8.141 1.00 24.15 H new ATOM 483 N SER A 33 -4.357 2.140 11.724 1.00 31.41 N ATOM 484 CA SER A 33 -3.933 2.749 12.974 1.00 54.00 C ATOM 485 C SER A 33 -2.405 2.893 12.970 1.00 15.35 C ATOM 486 O SER A 33 -1.704 2.282 12.155 1.00 61.33 O ATOM 487 CB SER A 33 -4.489 1.922 14.151 1.00 40.11 C ATOM 488 OG SER A 33 -3.508 1.157 14.820 1.00 14.12 O ATOM 0 H SER A 33 -4.787 1.222 11.836 1.00 31.41 H new ATOM 0 HA SER A 33 -4.334 3.756 13.090 1.00 54.00 H new ATOM 0 HB2 SER A 33 -4.962 2.596 14.866 1.00 40.11 H new ATOM 0 HB3 SER A 33 -5.267 1.255 13.779 1.00 40.11 H new ATOM 0 HG SER A 33 -3.925 0.660 15.554 1.00 14.12 H new ATOM 493 N LEU A 34 -1.878 3.694 13.896 1.00 54.20 N ATOM 494 CA LEU A 34 -0.444 3.855 14.072 1.00 1.42 C ATOM 495 C LEU A 34 0.162 2.519 14.493 1.00 34.21 C ATOM 496 O LEU A 34 1.138 2.052 13.916 1.00 73.23 O ATOM 497 CB LEU A 34 -0.176 4.968 15.107 1.00 62.24 C ATOM 498 CG LEU A 34 0.880 5.955 14.603 1.00 61.14 C ATOM 499 CD1 LEU A 34 0.915 7.208 15.488 1.00 52.04 C ATOM 500 CD2 LEU A 34 2.281 5.336 14.557 1.00 12.21 C ATOM 0 H LEU A 34 -2.438 4.248 14.544 1.00 54.20 H new ATOM 0 HA LEU A 34 0.027 4.155 13.136 1.00 1.42 H new ATOM 0 HB2 LEU A 34 -1.103 5.501 15.319 1.00 62.24 H new ATOM 0 HB3 LEU A 34 0.157 4.523 16.044 1.00 62.24 H new ATOM 0 HG LEU A 34 0.593 6.224 13.587 1.00 61.14 H new ATOM 0 HD11 LEU A 34 1.672 7.897 15.113 1.00 52.04 H new ATOM 0 HD12 LEU A 34 -0.060 7.695 15.469 1.00 52.04 H new ATOM 0 HD13 LEU A 34 1.158 6.924 16.512 1.00 52.04 H new ATOM 0 HD21 LEU A 34 2.994 6.076 14.193 1.00 12.21 H new ATOM 0 HD22 LEU A 34 2.570 5.015 15.558 1.00 12.21 H new ATOM 0 HD23 LEU A 34 2.277 4.476 13.887 1.00 12.21 H new ATOM 511 N THR A 35 -0.455 1.886 15.482 1.00 42.33 N ATOM 512 CA THR A 35 -0.048 0.608 16.034 1.00 41.44 C ATOM 513 C THR A 35 -0.168 -0.512 14.990 1.00 22.31 C ATOM 514 O THR A 35 0.662 -1.421 14.958 1.00 15.33 O ATOM 515 CB THR A 35 -0.932 0.328 17.255 1.00 64.24 C ATOM 516 OG1 THR A 35 -1.212 1.506 18.005 1.00 21.35 O ATOM 517 CG2 THR A 35 -0.354 -0.739 18.178 1.00 51.14 C ATOM 0 H THR A 35 -1.285 2.267 15.937 1.00 42.33 H new ATOM 0 HA THR A 35 1.000 0.642 16.330 1.00 41.44 H new ATOM 0 HB THR A 35 -1.866 -0.053 16.842 1.00 64.24 H new ATOM 0 HG1 THR A 35 -1.779 1.279 18.771 1.00 21.35 H new ATOM 0 HG21 THR A 35 -1.025 -0.892 19.023 1.00 51.14 H new ATOM 0 HG22 THR A 35 -0.243 -1.674 17.629 1.00 51.14 H new ATOM 0 HG23 THR A 35 0.621 -0.415 18.543 1.00 51.14 H new ATOM 525 N GLU A 36 -1.191 -0.472 14.132 1.00 74.43 N ATOM 526 CA GLU A 36 -1.352 -1.420 13.034 1.00 44.40 C ATOM 527 C GLU A 36 -0.212 -1.225 12.046 1.00 75.12 C ATOM 528 O GLU A 36 0.472 -2.182 11.699 1.00 54.30 O ATOM 529 CB GLU A 36 -2.692 -1.213 12.321 1.00 4.03 C ATOM 530 CG GLU A 36 -3.871 -1.688 13.182 1.00 73.54 C ATOM 531 CD GLU A 36 -5.233 -1.344 12.571 1.00 33.13 C ATOM 532 OE1 GLU A 36 -5.308 -0.651 11.528 1.00 54.10 O ATOM 533 OE2 GLU A 36 -6.259 -1.777 13.145 1.00 61.30 O ATOM 0 H GLU A 36 -1.934 0.225 14.183 1.00 74.43 H new ATOM 0 HA GLU A 36 -1.335 -2.433 13.436 1.00 44.40 H new ATOM 0 HB2 GLU A 36 -2.818 -0.157 12.082 1.00 4.03 H new ATOM 0 HB3 GLU A 36 -2.689 -1.756 11.376 1.00 4.03 H new ATOM 0 HG2 GLU A 36 -3.802 -2.767 13.319 1.00 73.54 H new ATOM 0 HG3 GLU A 36 -3.798 -1.236 14.171 1.00 73.54 H new ATOM 538 N ARG A 37 0.018 0.016 11.602 1.00 63.24 N ATOM 539 CA ARG A 37 1.109 0.327 10.689 1.00 72.50 C ATOM 540 C ARG A 37 2.449 -0.105 11.277 1.00 40.30 C ATOM 541 O ARG A 37 3.305 -0.553 10.517 1.00 23.33 O ATOM 542 CB ARG A 37 1.058 1.817 10.323 1.00 2.24 C ATOM 543 CG ARG A 37 2.172 2.211 9.343 1.00 64.23 C ATOM 544 CD ARG A 37 1.822 3.476 8.554 1.00 61.51 C ATOM 545 NE ARG A 37 0.740 3.240 7.582 1.00 74.50 N ATOM 546 CZ ARG A 37 -0.028 4.181 7.020 1.00 74.34 C ATOM 547 NH1 ARG A 37 -0.034 5.433 7.469 1.00 33.45 N ATOM 548 NH2 ARG A 37 -0.772 3.874 5.963 1.00 21.42 N ATOM 0 H ARG A 37 -0.546 0.824 11.867 1.00 63.24 H new ATOM 0 HA ARG A 37 0.995 -0.239 9.765 1.00 72.50 H new ATOM 0 HB2 ARG A 37 0.089 2.048 9.881 1.00 2.24 H new ATOM 0 HB3 ARG A 37 1.145 2.415 11.230 1.00 2.24 H new ATOM 0 HG2 ARG A 37 3.099 2.372 9.894 1.00 64.23 H new ATOM 0 HG3 ARG A 37 2.352 1.390 8.650 1.00 64.23 H new ATOM 0 HD2 ARG A 37 1.522 4.263 9.246 1.00 61.51 H new ATOM 0 HD3 ARG A 37 2.708 3.833 8.030 1.00 61.51 H new ATOM 0 HE ARG A 37 0.560 2.273 7.313 1.00 74.50 H new ATOM 0 HH11 ARG A 37 0.556 5.694 8.259 1.00 33.45 H new ATOM 0 HH12 ARG A 37 -0.628 6.132 7.023 1.00 33.45 H new ATOM 0 HH21 ARG A 37 -0.755 2.927 5.585 1.00 21.42 H new ATOM 0 HH22 ARG A 37 -1.360 4.586 5.529 1.00 21.42 H new ATOM 559 N SER A 38 2.631 -0.003 12.594 1.00 11.05 N ATOM 560 CA SER A 38 3.801 -0.516 13.280 1.00 11.34 C ATOM 561 C SER A 38 3.877 -2.040 13.118 1.00 1.25 C ATOM 562 O SER A 38 4.891 -2.534 12.624 1.00 13.05 O ATOM 563 CB SER A 38 3.786 -0.060 14.747 1.00 34.54 C ATOM 564 OG SER A 38 5.088 -0.133 15.292 1.00 55.30 O ATOM 0 H SER A 38 1.958 0.445 13.215 1.00 11.05 H new ATOM 0 HA SER A 38 4.709 -0.110 12.835 1.00 11.34 H new ATOM 0 HB2 SER A 38 3.412 0.962 14.814 1.00 34.54 H new ATOM 0 HB3 SER A 38 3.106 -0.687 15.324 1.00 34.54 H new ATOM 0 HG SER A 38 5.068 0.161 16.227 1.00 55.30 H new ATOM 569 N GLN A 39 2.833 -2.794 13.492 1.00 73.42 N ATOM 570 CA GLN A 39 2.851 -4.254 13.400 1.00 42.13 C ATOM 571 C GLN A 39 3.067 -4.755 11.975 1.00 73.31 C ATOM 572 O GLN A 39 3.860 -5.676 11.779 1.00 64.12 O ATOM 573 CB GLN A 39 1.568 -4.884 13.959 1.00 74.43 C ATOM 574 CG GLN A 39 1.567 -4.904 15.496 1.00 21.35 C ATOM 575 CD GLN A 39 0.903 -6.146 16.101 1.00 60.22 C ATOM 576 OE1 GLN A 39 0.565 -7.116 15.429 1.00 21.45 O ATOM 577 NE2 GLN A 39 0.767 -6.210 17.409 1.00 2.11 N ATOM 0 H GLN A 39 1.963 -2.411 13.862 1.00 73.42 H new ATOM 0 HA GLN A 39 3.700 -4.565 14.009 1.00 42.13 H new ATOM 0 HB2 GLN A 39 0.703 -4.325 13.602 1.00 74.43 H new ATOM 0 HB3 GLN A 39 1.468 -5.902 13.582 1.00 74.43 H new ATOM 0 HG2 GLN A 39 2.596 -4.845 15.851 1.00 21.35 H new ATOM 0 HG3 GLN A 39 1.052 -4.015 15.861 1.00 21.35 H new ATOM 0 HE21 GLN A 39 1.041 -5.417 17.990 1.00 2.11 H new ATOM 0 HE22 GLN A 39 0.388 -7.052 17.842 1.00 2.11 H new ATOM 584 N ILE A 40 2.366 -4.155 11.015 1.00 23.55 N ATOM 585 CA ILE A 40 2.507 -4.393 9.582 1.00 64.33 C ATOM 586 C ILE A 40 3.982 -4.199 9.222 1.00 1.02 C ATOM 587 O ILE A 40 4.607 -5.111 8.691 1.00 43.01 O ATOM 588 CB ILE A 40 1.557 -3.447 8.803 1.00 73.31 C ATOM 589 CG1 ILE A 40 0.081 -3.895 8.945 1.00 64.14 C ATOM 590 CG2 ILE A 40 1.902 -3.342 7.308 1.00 61.20 C ATOM 591 CD1 ILE A 40 -0.919 -2.779 8.641 1.00 41.14 C ATOM 0 H ILE A 40 1.652 -3.458 11.226 1.00 23.55 H new ATOM 0 HA ILE A 40 2.220 -5.408 9.307 1.00 64.33 H new ATOM 0 HB ILE A 40 1.694 -2.463 9.251 1.00 73.31 H new ATOM 0 HG12 ILE A 40 -0.104 -4.733 8.273 1.00 64.14 H new ATOM 0 HG13 ILE A 40 -0.086 -4.257 9.959 1.00 64.14 H new ATOM 0 HG21 ILE A 40 1.201 -2.666 6.819 1.00 61.20 H new ATOM 0 HG22 ILE A 40 2.916 -2.958 7.195 1.00 61.20 H new ATOM 0 HG23 ILE A 40 1.834 -4.328 6.849 1.00 61.20 H new ATOM 0 HD11 ILE A 40 -1.934 -3.158 8.759 1.00 41.14 H new ATOM 0 HD12 ILE A 40 -0.759 -1.950 9.330 1.00 41.14 H new ATOM 0 HD13 ILE A 40 -0.777 -2.433 7.617 1.00 41.14 H new ATOM 602 N ALA A 41 4.553 -3.024 9.513 1.00 1.43 N ATOM 603 CA ALA A 41 5.919 -2.715 9.144 1.00 62.34 C ATOM 604 C ALA A 41 6.886 -3.720 9.766 1.00 4.42 C ATOM 605 O ALA A 41 7.815 -4.167 9.092 1.00 12.21 O ATOM 606 CB ALA A 41 6.262 -1.274 9.536 1.00 2.41 C ATOM 0 H ALA A 41 4.075 -2.271 10.009 1.00 1.43 H new ATOM 0 HA ALA A 41 6.020 -2.796 8.062 1.00 62.34 H new ATOM 0 HB1 ALA A 41 7.292 -1.055 9.253 1.00 2.41 H new ATOM 0 HB2 ALA A 41 5.590 -0.587 9.021 1.00 2.41 H new ATOM 0 HB3 ALA A 41 6.148 -1.153 10.613 1.00 2.41 H new ATOM 612 N HIS A 42 6.674 -4.112 11.024 1.00 20.11 N ATOM 613 CA HIS A 42 7.482 -5.130 11.677 1.00 12.41 C ATOM 614 C HIS A 42 7.406 -6.467 10.945 1.00 44.24 C ATOM 615 O HIS A 42 8.458 -7.013 10.605 1.00 63.31 O ATOM 616 CB HIS A 42 7.095 -5.268 13.155 1.00 73.14 C ATOM 617 CG HIS A 42 7.896 -4.323 14.005 1.00 64.54 C ATOM 618 ND1 HIS A 42 8.908 -4.675 14.869 1.00 0.43 N ATOM 619 CD2 HIS A 42 7.880 -2.959 13.908 1.00 4.32 C ATOM 620 CE1 HIS A 42 9.492 -3.542 15.288 1.00 42.21 C ATOM 621 NE2 HIS A 42 8.915 -2.473 14.710 1.00 74.30 N ATOM 0 H HIS A 42 5.936 -3.729 11.614 1.00 20.11 H new ATOM 0 HA HIS A 42 8.522 -4.807 11.635 1.00 12.41 H new ATOM 0 HB2 HIS A 42 6.032 -5.063 13.278 1.00 73.14 H new ATOM 0 HB3 HIS A 42 7.262 -6.293 13.486 1.00 73.14 H new ATOM 0 HD2 HIS A 42 7.194 -2.367 13.320 1.00 4.32 H new ATOM 0 HE1 HIS A 42 10.311 -3.495 15.991 1.00 42.21 H new ATOM 0 HE2 HIS A 42 9.182 -1.496 14.834 1.00 74.30 H new ATOM 628 N ALA A 43 6.190 -6.971 10.722 1.00 61.52 N ATOM 629 CA ALA A 43 5.904 -8.251 10.093 1.00 52.22 C ATOM 630 C ALA A 43 6.565 -8.317 8.722 1.00 14.11 C ATOM 631 O ALA A 43 7.386 -9.202 8.480 1.00 44.31 O ATOM 632 CB ALA A 43 4.383 -8.437 9.978 1.00 22.13 C ATOM 0 H ALA A 43 5.343 -6.470 10.990 1.00 61.52 H new ATOM 0 HA ALA A 43 6.309 -9.058 10.704 1.00 52.22 H new ATOM 0 HB1 ALA A 43 4.168 -9.396 9.507 1.00 22.13 H new ATOM 0 HB2 ALA A 43 3.937 -8.414 10.972 1.00 22.13 H new ATOM 0 HB3 ALA A 43 3.963 -7.633 9.373 1.00 22.13 H new ATOM 638 N LEU A 44 6.224 -7.366 7.848 1.00 64.20 N ATOM 639 CA LEU A 44 6.645 -7.353 6.450 1.00 42.31 C ATOM 640 C LEU A 44 8.112 -6.959 6.291 1.00 75.20 C ATOM 641 O LEU A 44 8.605 -6.961 5.166 1.00 73.14 O ATOM 642 CB LEU A 44 5.799 -6.365 5.628 1.00 52.14 C ATOM 643 CG LEU A 44 4.273 -6.549 5.704 1.00 42.11 C ATOM 644 CD1 LEU A 44 3.619 -5.457 4.855 1.00 52.24 C ATOM 645 CD2 LEU A 44 3.877 -7.957 5.266 1.00 44.20 C ATOM 0 H LEU A 44 5.637 -6.571 8.100 1.00 64.20 H new ATOM 0 HA LEU A 44 6.505 -8.371 6.086 1.00 42.31 H new ATOM 0 HB2 LEU A 44 6.039 -5.354 5.956 1.00 52.14 H new ATOM 0 HB3 LEU A 44 6.102 -6.442 4.584 1.00 52.14 H new ATOM 0 HG LEU A 44 3.922 -6.447 6.731 1.00 42.11 H new ATOM 0 HD11 LEU A 44 2.535 -5.567 4.893 1.00 52.24 H new ATOM 0 HD12 LEU A 44 3.899 -4.478 5.244 1.00 52.24 H new ATOM 0 HD13 LEU A 44 3.957 -5.548 3.823 1.00 52.24 H new ATOM 0 HD21 LEU A 44 2.794 -8.066 5.327 1.00 44.20 H new ATOM 0 HD22 LEU A 44 4.201 -8.123 4.239 1.00 44.20 H new ATOM 0 HD23 LEU A 44 4.353 -8.689 5.919 1.00 44.20 H new ATOM 656 N LYS A 45 8.817 -6.576 7.361 1.00 71.42 N ATOM 657 CA LYS A 45 10.141 -5.958 7.291 1.00 73.42 C ATOM 658 C LYS A 45 10.112 -4.685 6.428 1.00 60.11 C ATOM 659 O LYS A 45 10.985 -4.474 5.583 1.00 35.43 O ATOM 660 CB LYS A 45 11.180 -6.994 6.806 1.00 71.30 C ATOM 661 CG LYS A 45 12.581 -6.639 7.321 1.00 20.14 C ATOM 662 CD LYS A 45 12.821 -7.311 8.682 1.00 2.25 C ATOM 663 CE LYS A 45 14.000 -6.697 9.436 1.00 73.32 C ATOM 664 NZ LYS A 45 13.703 -5.327 9.909 1.00 63.10 N ATOM 0 H LYS A 45 8.476 -6.690 8.315 1.00 71.42 H new ATOM 0 HA LYS A 45 10.444 -5.638 8.288 1.00 73.42 H new ATOM 0 HB2 LYS A 45 10.900 -7.988 7.155 1.00 71.30 H new ATOM 0 HB3 LYS A 45 11.185 -7.028 5.717 1.00 71.30 H new ATOM 0 HG2 LYS A 45 13.335 -6.966 6.605 1.00 20.14 H new ATOM 0 HG3 LYS A 45 12.680 -5.558 7.416 1.00 20.14 H new ATOM 0 HD2 LYS A 45 11.920 -7.225 9.290 1.00 2.25 H new ATOM 0 HD3 LYS A 45 13.004 -8.375 8.531 1.00 2.25 H new ATOM 0 HE2 LYS A 45 14.253 -7.328 10.288 1.00 73.32 H new ATOM 0 HE3 LYS A 45 14.874 -6.674 8.785 1.00 73.32 H new ATOM 0 HZ1 LYS A 45 14.428 -5.032 10.594 1.00 63.10 H new ATOM 0 HZ2 LYS A 45 13.704 -4.673 9.100 1.00 63.10 H new ATOM 0 HZ3 LYS A 45 12.769 -5.312 10.366 1.00 63.10 H new ATOM 674 N LEU A 46 9.117 -3.824 6.613 1.00 15.34 N ATOM 675 CA LEU A 46 9.062 -2.478 6.069 1.00 33.21 C ATOM 676 C LEU A 46 9.374 -1.472 7.176 1.00 13.13 C ATOM 677 O LEU A 46 9.630 -1.816 8.332 1.00 64.02 O ATOM 678 CB LEU A 46 7.673 -2.234 5.439 1.00 20.13 C ATOM 679 CG LEU A 46 7.472 -2.909 4.073 1.00 3.32 C ATOM 680 CD1 LEU A 46 6.035 -2.686 3.597 1.00 63.51 C ATOM 681 CD2 LEU A 46 8.422 -2.392 2.984 1.00 72.42 C ATOM 0 H LEU A 46 8.295 -4.058 7.169 1.00 15.34 H new ATOM 0 HA LEU A 46 9.808 -2.353 5.284 1.00 33.21 H new ATOM 0 HB2 LEU A 46 6.907 -2.594 6.126 1.00 20.13 H new ATOM 0 HB3 LEU A 46 7.521 -1.160 5.327 1.00 20.13 H new ATOM 0 HG LEU A 46 7.689 -3.966 4.224 1.00 3.32 H new ATOM 0 HD11 LEU A 46 5.894 -3.165 2.628 1.00 63.51 H new ATOM 0 HD12 LEU A 46 5.341 -3.117 4.319 1.00 63.51 H new ATOM 0 HD13 LEU A 46 5.844 -1.617 3.504 1.00 63.51 H new ATOM 0 HD21 LEU A 46 8.221 -2.914 2.048 1.00 72.42 H new ATOM 0 HD22 LEU A 46 8.266 -1.322 2.843 1.00 72.42 H new ATOM 0 HD23 LEU A 46 9.454 -2.572 3.286 1.00 72.42 H new ATOM 692 N SER A 47 9.317 -0.203 6.796 1.00 13.25 N ATOM 693 CA SER A 47 9.334 0.930 7.703 1.00 3.24 C ATOM 694 C SER A 47 7.980 1.626 7.620 1.00 12.23 C ATOM 695 O SER A 47 7.336 1.552 6.571 1.00 52.00 O ATOM 696 CB SER A 47 10.475 1.871 7.306 1.00 30.11 C ATOM 697 OG SER A 47 11.721 1.219 7.458 1.00 63.31 O ATOM 0 H SER A 47 9.256 0.072 5.816 1.00 13.25 H new ATOM 0 HA SER A 47 9.504 0.612 8.732 1.00 3.24 H new ATOM 0 HB2 SER A 47 10.348 2.192 6.272 1.00 30.11 H new ATOM 0 HB3 SER A 47 10.448 2.768 7.924 1.00 30.11 H new ATOM 0 HG SER A 47 12.443 1.829 7.200 1.00 63.31 H new ATOM 702 N GLU A 48 7.577 2.354 8.671 1.00 32.33 N ATOM 703 CA GLU A 48 6.291 3.068 8.726 1.00 12.42 C ATOM 704 C GLU A 48 6.059 3.884 7.450 1.00 12.02 C ATOM 705 O GLU A 48 4.964 3.907 6.898 1.00 34.44 O ATOM 706 CB GLU A 48 6.251 4.040 9.919 1.00 71.24 C ATOM 707 CG GLU A 48 6.117 3.395 11.302 1.00 32.55 C ATOM 708 CD GLU A 48 6.051 4.454 12.416 1.00 20.23 C ATOM 709 OE1 GLU A 48 5.252 5.421 12.290 1.00 3.13 O ATOM 710 OE2 GLU A 48 6.793 4.320 13.414 1.00 55.12 O ATOM 0 H GLU A 48 8.139 2.466 9.515 1.00 32.33 H new ATOM 0 HA GLU A 48 5.514 2.311 8.832 1.00 12.42 H new ATOM 0 HB2 GLU A 48 7.161 4.639 9.905 1.00 71.24 H new ATOM 0 HB3 GLU A 48 5.416 4.726 9.777 1.00 71.24 H new ATOM 0 HG2 GLU A 48 5.218 2.779 11.331 1.00 32.55 H new ATOM 0 HG3 GLU A 48 6.964 2.732 11.479 1.00 32.55 H new ATOM 715 N VAL A 49 7.114 4.536 6.970 1.00 33.32 N ATOM 716 CA VAL A 49 7.109 5.440 5.835 1.00 21.11 C ATOM 717 C VAL A 49 6.868 4.653 4.553 1.00 5.11 C ATOM 718 O VAL A 49 6.019 5.056 3.766 1.00 31.14 O ATOM 719 CB VAL A 49 8.426 6.235 5.836 1.00 12.11 C ATOM 720 CG1 VAL A 49 8.641 7.069 4.571 1.00 23.24 C ATOM 721 CG2 VAL A 49 8.399 7.194 7.029 1.00 4.23 C ATOM 0 H VAL A 49 8.040 4.440 7.387 1.00 33.32 H new ATOM 0 HA VAL A 49 6.296 6.162 5.903 1.00 21.11 H new ATOM 0 HB VAL A 49 9.238 5.510 5.889 1.00 12.11 H new ATOM 0 HG11 VAL A 49 9.589 7.602 4.643 1.00 23.24 H new ATOM 0 HG12 VAL A 49 8.659 6.413 3.701 1.00 23.24 H new ATOM 0 HG13 VAL A 49 7.828 7.788 4.467 1.00 23.24 H new ATOM 0 HG21 VAL A 49 9.323 7.771 7.053 1.00 4.23 H new ATOM 0 HG22 VAL A 49 7.551 7.872 6.932 1.00 4.23 H new ATOM 0 HG23 VAL A 49 8.304 6.623 7.953 1.00 4.23 H new ATOM 731 N GLN A 50 7.542 3.516 4.351 1.00 53.43 N ATOM 732 CA GLN A 50 7.274 2.677 3.196 1.00 64.11 C ATOM 733 C GLN A 50 5.820 2.210 3.205 1.00 42.13 C ATOM 734 O GLN A 50 5.212 2.105 2.138 1.00 3.25 O ATOM 735 CB GLN A 50 8.196 1.456 3.188 1.00 71.01 C ATOM 736 CG GLN A 50 9.685 1.770 2.972 1.00 45.10 C ATOM 737 CD GLN A 50 10.271 0.946 1.827 1.00 64.33 C ATOM 738 OE1 GLN A 50 11.170 0.133 2.025 1.00 33.04 O ATOM 739 NE2 GLN A 50 9.811 1.128 0.604 1.00 64.24 N ATOM 0 H GLN A 50 8.271 3.164 4.972 1.00 53.43 H new ATOM 0 HA GLN A 50 7.460 3.269 2.300 1.00 64.11 H new ATOM 0 HB2 GLN A 50 8.085 0.929 4.136 1.00 71.01 H new ATOM 0 HB3 GLN A 50 7.866 0.775 2.404 1.00 71.01 H new ATOM 0 HG2 GLN A 50 9.806 2.832 2.757 1.00 45.10 H new ATOM 0 HG3 GLN A 50 10.238 1.565 3.889 1.00 45.10 H new ATOM 0 HE21 GLN A 50 9.064 1.802 0.435 1.00 64.24 H new ATOM 0 HE22 GLN A 50 10.202 0.595 -0.173 1.00 64.24 H new ATOM 746 N VAL A 51 5.256 1.935 4.389 1.00 4.42 N ATOM 747 CA VAL A 51 3.857 1.538 4.450 1.00 30.23 C ATOM 748 C VAL A 51 3.005 2.736 3.999 1.00 34.52 C ATOM 749 O VAL A 51 2.220 2.657 3.046 1.00 50.42 O ATOM 750 CB VAL A 51 3.457 0.983 5.835 1.00 20.55 C ATOM 751 CG1 VAL A 51 1.971 0.573 5.821 1.00 73.30 C ATOM 752 CG2 VAL A 51 4.319 -0.226 6.239 1.00 24.42 C ATOM 0 H VAL A 51 5.736 1.980 5.288 1.00 4.42 H new ATOM 0 HA VAL A 51 3.678 0.703 3.773 1.00 30.23 H new ATOM 0 HB VAL A 51 3.622 1.772 6.568 1.00 20.55 H new ATOM 0 HG11 VAL A 51 1.692 0.182 6.799 1.00 73.30 H new ATOM 0 HG12 VAL A 51 1.356 1.442 5.589 1.00 73.30 H new ATOM 0 HG13 VAL A 51 1.813 -0.196 5.065 1.00 73.30 H new ATOM 0 HG21 VAL A 51 4.005 -0.586 7.219 1.00 24.42 H new ATOM 0 HG22 VAL A 51 4.197 -1.022 5.504 1.00 24.42 H new ATOM 0 HG23 VAL A 51 5.367 0.072 6.280 1.00 24.42 H new ATOM 762 N LYS A 52 3.183 3.863 4.688 1.00 4.34 N ATOM 763 CA LYS A 52 2.455 5.112 4.531 1.00 74.21 C ATOM 764 C LYS A 52 2.442 5.603 3.087 1.00 1.03 C ATOM 765 O LYS A 52 1.365 5.935 2.594 1.00 13.21 O ATOM 766 CB LYS A 52 3.076 6.124 5.499 1.00 3.11 C ATOM 767 CG LYS A 52 2.678 7.585 5.273 1.00 34.32 C ATOM 768 CD LYS A 52 3.200 8.398 6.460 1.00 23.23 C ATOM 769 CE LYS A 52 3.364 9.871 6.117 1.00 61.42 C ATOM 770 NZ LYS A 52 3.714 10.638 7.334 1.00 3.13 N ATOM 0 H LYS A 52 3.890 3.927 5.420 1.00 4.34 H new ATOM 0 HA LYS A 52 1.402 4.967 4.774 1.00 74.21 H new ATOM 0 HB2 LYS A 52 2.800 5.844 6.516 1.00 3.11 H new ATOM 0 HB3 LYS A 52 4.161 6.047 5.430 1.00 3.11 H new ATOM 0 HG2 LYS A 52 3.101 7.957 4.339 1.00 34.32 H new ATOM 0 HG3 LYS A 52 1.595 7.678 5.192 1.00 34.32 H new ATOM 0 HD2 LYS A 52 2.512 8.296 7.299 1.00 23.23 H new ATOM 0 HD3 LYS A 52 4.159 7.992 6.783 1.00 23.23 H new ATOM 0 HE2 LYS A 52 4.142 9.993 5.364 1.00 61.42 H new ATOM 0 HE3 LYS A 52 2.440 10.258 5.686 1.00 61.42 H new ATOM 0 HZ1 LYS A 52 3.824 11.643 7.091 1.00 3.13 H new ATOM 0 HZ2 LYS A 52 2.957 10.533 8.040 1.00 3.13 H new ATOM 0 HZ3 LYS A 52 4.607 10.277 7.727 1.00 3.13 H new ATOM 780 N ILE A 53 3.600 5.707 2.429 1.00 30.54 N ATOM 781 CA ILE A 53 3.742 6.295 1.097 1.00 5.14 C ATOM 782 C ILE A 53 2.914 5.505 0.084 1.00 50.40 C ATOM 783 O ILE A 53 2.235 6.112 -0.749 1.00 71.14 O ATOM 784 CB ILE A 53 5.238 6.377 0.707 1.00 64.50 C ATOM 785 CG1 ILE A 53 5.952 7.406 1.609 1.00 21.35 C ATOM 786 CG2 ILE A 53 5.438 6.807 -0.760 1.00 62.11 C ATOM 787 CD1 ILE A 53 7.466 7.437 1.389 1.00 63.00 C ATOM 0 H ILE A 53 4.484 5.377 2.817 1.00 30.54 H new ATOM 0 HA ILE A 53 3.356 7.315 1.102 1.00 5.14 H new ATOM 0 HB ILE A 53 5.656 5.379 0.836 1.00 64.50 H new ATOM 0 HG12 ILE A 53 5.541 8.397 1.417 1.00 21.35 H new ATOM 0 HG13 ILE A 53 5.746 7.172 2.653 1.00 21.35 H new ATOM 0 HG21 ILE A 53 6.504 6.850 -0.985 1.00 62.11 H new ATOM 0 HG22 ILE A 53 4.957 6.085 -1.420 1.00 62.11 H new ATOM 0 HG23 ILE A 53 4.995 7.791 -0.914 1.00 62.11 H new ATOM 0 HD11 ILE A 53 7.915 8.179 2.050 1.00 63.00 H new ATOM 0 HD12 ILE A 53 7.886 6.455 1.608 1.00 63.00 H new ATOM 0 HD13 ILE A 53 7.678 7.699 0.352 1.00 63.00 H new ATOM 798 N TRP A 54 2.940 4.176 0.136 1.00 30.13 N ATOM 799 CA TRP A 54 2.139 3.408 -0.802 1.00 1.23 C ATOM 800 C TRP A 54 0.640 3.601 -0.538 1.00 64.10 C ATOM 801 O TRP A 54 -0.108 3.872 -1.479 1.00 64.51 O ATOM 802 CB TRP A 54 2.530 1.943 -0.748 1.00 32.53 C ATOM 803 CG TRP A 54 1.881 1.130 -1.815 1.00 43.02 C ATOM 804 CD1 TRP A 54 2.354 0.946 -3.063 1.00 51.04 C ATOM 805 CD2 TRP A 54 0.654 0.364 -1.744 1.00 21.12 C ATOM 806 NE1 TRP A 54 1.584 0.018 -3.733 1.00 74.52 N ATOM 807 CE2 TRP A 54 0.514 -0.374 -2.957 1.00 70.33 C ATOM 808 CE3 TRP A 54 -0.337 0.211 -0.757 1.00 11.34 C ATOM 809 CZ2 TRP A 54 -0.547 -1.262 -3.163 1.00 14.22 C ATOM 810 CZ3 TRP A 54 -1.402 -0.686 -0.947 1.00 22.51 C ATOM 811 CH2 TRP A 54 -1.509 -1.409 -2.153 1.00 14.12 C ATOM 0 H TRP A 54 3.489 3.626 0.796 1.00 30.13 H new ATOM 0 HA TRP A 54 2.337 3.775 -1.809 1.00 1.23 H new ATOM 0 HB2 TRP A 54 3.613 1.857 -0.841 1.00 32.53 H new ATOM 0 HB3 TRP A 54 2.261 1.536 0.227 1.00 32.53 H new ATOM 0 HD1 TRP A 54 3.213 1.452 -3.479 1.00 51.04 H new ATOM 0 HE1 TRP A 54 1.779 -0.330 -4.672 1.00 74.52 H new ATOM 0 HE3 TRP A 54 -0.279 0.788 0.154 1.00 11.34 H new ATOM 0 HZ2 TRP A 54 -0.624 -1.824 -4.082 1.00 14.22 H new ATOM 0 HZ3 TRP A 54 -2.139 -0.822 -0.169 1.00 22.51 H new ATOM 0 HH2 TRP A 54 -2.340 -2.083 -2.300 1.00 14.12 H new ATOM 821 N PHE A 55 0.186 3.518 0.722 1.00 10.42 N ATOM 822 CA PHE A 55 -1.228 3.755 1.049 1.00 43.41 C ATOM 823 C PHE A 55 -1.648 5.168 0.636 1.00 21.51 C ATOM 824 O PHE A 55 -2.780 5.359 0.203 1.00 22.14 O ATOM 825 CB PHE A 55 -1.507 3.548 2.547 1.00 10.44 C ATOM 826 CG PHE A 55 -1.854 2.126 2.933 1.00 23.54 C ATOM 827 CD1 PHE A 55 -0.880 1.131 2.776 1.00 61.23 C ATOM 828 CD2 PHE A 55 -3.128 1.781 3.440 1.00 14.31 C ATOM 829 CE1 PHE A 55 -1.181 -0.200 3.077 1.00 70.21 C ATOM 830 CE2 PHE A 55 -3.419 0.443 3.775 1.00 64.22 C ATOM 831 CZ PHE A 55 -2.443 -0.543 3.576 1.00 11.02 C ATOM 0 H PHE A 55 0.772 3.290 1.525 1.00 10.42 H new ATOM 0 HA PHE A 55 -1.815 3.027 0.489 1.00 43.41 H new ATOM 0 HB2 PHE A 55 -0.629 3.860 3.113 1.00 10.44 H new ATOM 0 HB3 PHE A 55 -2.327 4.202 2.844 1.00 10.44 H new ATOM 0 HD1 PHE A 55 0.106 1.393 2.421 1.00 61.23 H new ATOM 0 HD2 PHE A 55 -3.880 2.545 3.571 1.00 14.31 H new ATOM 0 HE1 PHE A 55 -0.437 -0.967 2.924 1.00 70.21 H new ATOM 0 HE2 PHE A 55 -4.385 0.180 4.181 1.00 64.22 H new ATOM 0 HZ PHE A 55 -2.666 -1.574 3.809 1.00 11.02 H new ATOM 840 N GLN A 56 -0.746 6.146 0.736 1.00 52.12 N ATOM 841 CA GLN A 56 -0.957 7.514 0.263 1.00 25.54 C ATOM 842 C GLN A 56 -1.314 7.481 -1.237 1.00 13.24 C ATOM 843 O GLN A 56 -2.293 8.104 -1.658 1.00 71.22 O ATOM 844 CB GLN A 56 0.299 8.382 0.527 1.00 1.32 C ATOM 845 CG GLN A 56 0.271 9.273 1.783 1.00 61.11 C ATOM 846 CD GLN A 56 1.294 10.408 1.723 1.00 2.35 C ATOM 847 OE1 GLN A 56 0.974 11.559 2.016 1.00 13.14 O ATOM 848 NE2 GLN A 56 2.545 10.123 1.396 1.00 14.05 N ATOM 0 H GLN A 56 0.172 6.005 1.158 1.00 52.12 H new ATOM 0 HA GLN A 56 -1.784 7.967 0.810 1.00 25.54 H new ATOM 0 HB2 GLN A 56 1.162 7.720 0.599 1.00 1.32 H new ATOM 0 HB3 GLN A 56 0.459 9.022 -0.341 1.00 1.32 H new ATOM 0 HG2 GLN A 56 -0.727 9.695 1.902 1.00 61.11 H new ATOM 0 HG3 GLN A 56 0.465 8.660 2.663 1.00 61.11 H new ATOM 0 HE21 GLN A 56 2.804 9.166 1.154 1.00 14.05 H new ATOM 0 HE22 GLN A 56 3.250 10.860 1.386 1.00 14.05 H new ATOM 855 N ASN A 57 -0.564 6.725 -2.043 1.00 11.31 N ATOM 856 CA ASN A 57 -0.742 6.652 -3.492 1.00 71.11 C ATOM 857 C ASN A 57 -2.020 5.907 -3.868 1.00 64.20 C ATOM 858 O ASN A 57 -2.704 6.301 -4.817 1.00 23.41 O ATOM 859 CB ASN A 57 0.471 5.971 -4.148 1.00 45.30 C ATOM 860 CG ASN A 57 1.362 6.977 -4.852 1.00 54.30 C ATOM 861 OD1 ASN A 57 0.904 7.774 -5.665 1.00 54.22 O ATOM 862 ND2 ASN A 57 2.634 6.970 -4.517 1.00 12.45 N ATOM 0 H ASN A 57 0.196 6.138 -1.700 1.00 11.31 H new ATOM 0 HA ASN A 57 -0.827 7.674 -3.861 1.00 71.11 H new ATOM 0 HB2 ASN A 57 1.047 5.442 -3.389 1.00 45.30 H new ATOM 0 HB3 ASN A 57 0.127 5.225 -4.864 1.00 45.30 H new ATOM 0 HD21 ASN A 57 3.276 7.642 -4.937 1.00 12.45 H new ATOM 0 HD22 ASN A 57 2.979 6.292 -3.837 1.00 12.45 H new ATOM 868 N ARG A 58 -2.345 4.842 -3.136 1.00 14.04 N ATOM 869 CA ARG A 58 -3.584 4.082 -3.285 1.00 31.23 C ATOM 870 C ARG A 58 -4.787 4.942 -2.939 1.00 62.42 C ATOM 871 O ARG A 58 -5.723 5.032 -3.726 1.00 65.25 O ATOM 872 CB ARG A 58 -3.527 2.850 -2.376 1.00 50.01 C ATOM 873 CG ARG A 58 -2.721 1.686 -2.961 1.00 34.55 C ATOM 874 CD ARG A 58 -3.167 1.085 -4.305 1.00 31.51 C ATOM 875 NE ARG A 58 -4.466 0.390 -4.231 1.00 12.21 N ATOM 876 CZ ARG A 58 -5.292 0.105 -5.247 1.00 54.33 C ATOM 877 NH1 ARG A 58 -4.978 0.454 -6.494 1.00 43.21 N ATOM 878 NH2 ARG A 58 -6.438 -0.531 -5.022 1.00 73.54 N ATOM 0 H ARG A 58 -1.737 4.475 -2.404 1.00 14.04 H new ATOM 0 HA ARG A 58 -3.689 3.765 -4.323 1.00 31.23 H new ATOM 0 HB2 ARG A 58 -3.091 3.136 -1.419 1.00 50.01 H new ATOM 0 HB3 ARG A 58 -4.543 2.511 -2.175 1.00 50.01 H new ATOM 0 HG2 ARG A 58 -1.690 2.021 -3.074 1.00 34.55 H new ATOM 0 HG3 ARG A 58 -2.717 0.883 -2.224 1.00 34.55 H new ATOM 0 HD2 ARG A 58 -3.230 1.880 -5.048 1.00 31.51 H new ATOM 0 HD3 ARG A 58 -2.407 0.385 -4.652 1.00 31.51 H new ATOM 0 HE ARG A 58 -4.769 0.093 -3.303 1.00 12.21 H new ATOM 0 HH11 ARG A 58 -4.102 0.942 -6.682 1.00 43.21 H new ATOM 0 HH12 ARG A 58 -5.613 0.233 -7.261 1.00 43.21 H new ATOM 0 HH21 ARG A 58 -6.692 -0.804 -4.073 1.00 73.54 H new ATOM 0 HH22 ARG A 58 -7.063 -0.746 -5.799 1.00 73.54 H new ATOM 889 N ARG A 59 -4.776 5.601 -1.781 1.00 51.03 N ATOM 890 CA ARG A 59 -5.890 6.422 -1.314 1.00 2.00 C ATOM 891 C ARG A 59 -6.184 7.549 -2.297 1.00 71.25 C ATOM 892 O ARG A 59 -7.353 7.864 -2.501 1.00 62.23 O ATOM 893 CB ARG A 59 -5.602 6.925 0.112 1.00 73.30 C ATOM 894 CG ARG A 59 -5.810 5.780 1.124 1.00 64.31 C ATOM 895 CD ARG A 59 -5.173 5.992 2.506 1.00 53.11 C ATOM 896 NE ARG A 59 -5.587 7.242 3.161 1.00 53.23 N ATOM 897 CZ ARG A 59 -5.114 7.699 4.326 1.00 51.33 C ATOM 898 NH1 ARG A 59 -4.359 6.924 5.103 1.00 50.14 N ATOM 899 NH2 ARG A 59 -5.410 8.942 4.693 1.00 44.31 N ATOM 0 H ARG A 59 -3.986 5.579 -1.136 1.00 51.03 H new ATOM 0 HA ARG A 59 -6.796 5.818 -1.268 1.00 2.00 H new ATOM 0 HB2 ARG A 59 -4.580 7.298 0.176 1.00 73.30 H new ATOM 0 HB3 ARG A 59 -6.261 7.759 0.353 1.00 73.30 H new ATOM 0 HG2 ARG A 59 -6.881 5.627 1.257 1.00 64.31 H new ATOM 0 HG3 ARG A 59 -5.407 4.862 0.695 1.00 64.31 H new ATOM 0 HD2 ARG A 59 -5.433 5.151 3.149 1.00 53.11 H new ATOM 0 HD3 ARG A 59 -4.088 5.989 2.401 1.00 53.11 H new ATOM 0 HE ARG A 59 -6.293 7.807 2.688 1.00 53.23 H new ATOM 0 HH11 ARG A 59 -4.136 5.972 4.812 1.00 50.14 H new ATOM 0 HH12 ARG A 59 -4.003 7.282 5.989 1.00 50.14 H new ATOM 0 HH21 ARG A 59 -5.988 9.528 4.090 1.00 44.31 H new ATOM 0 HH22 ARG A 59 -5.059 9.310 5.577 1.00 44.31 H new ATOM 910 N ALA A 60 -5.166 8.095 -2.971 1.00 51.35 N ATOM 911 CA ALA A 60 -5.368 9.045 -4.055 1.00 14.03 C ATOM 912 C ALA A 60 -6.199 8.411 -5.172 1.00 2.30 C ATOM 913 O ALA A 60 -7.265 8.918 -5.514 1.00 25.34 O ATOM 914 CB ALA A 60 -4.018 9.541 -4.571 1.00 62.42 C ATOM 0 H ALA A 60 -4.186 7.888 -2.777 1.00 51.35 H new ATOM 0 HA ALA A 60 -5.923 9.905 -3.681 1.00 14.03 H new ATOM 0 HB1 ALA A 60 -4.177 10.252 -5.382 1.00 62.42 H new ATOM 0 HB2 ALA A 60 -3.476 10.030 -3.761 1.00 62.42 H new ATOM 0 HB3 ALA A 60 -3.436 8.696 -4.938 1.00 62.42 H new ATOM 920 N LYS A 61 -5.748 7.285 -5.733 1.00 62.32 N ATOM 921 CA LYS A 61 -6.469 6.660 -6.839 1.00 34.14 C ATOM 922 C LYS A 61 -7.869 6.202 -6.425 1.00 63.44 C ATOM 923 O LYS A 61 -8.798 6.347 -7.214 1.00 64.21 O ATOM 924 CB LYS A 61 -5.643 5.524 -7.444 1.00 31.12 C ATOM 925 CG LYS A 61 -6.207 5.166 -8.824 1.00 52.22 C ATOM 926 CD LYS A 61 -5.265 4.277 -9.634 1.00 22.31 C ATOM 927 CE LYS A 61 -5.858 4.136 -11.037 1.00 14.24 C ATOM 928 NZ LYS A 61 -4.999 3.338 -11.921 1.00 44.14 N ATOM 0 H LYS A 61 -4.901 6.796 -5.444 1.00 62.32 H new ATOM 0 HA LYS A 61 -6.615 7.413 -7.614 1.00 34.14 H new ATOM 0 HB2 LYS A 61 -4.599 5.825 -7.532 1.00 31.12 H new ATOM 0 HB3 LYS A 61 -5.669 4.652 -6.790 1.00 31.12 H new ATOM 0 HG2 LYS A 61 -7.163 4.657 -8.700 1.00 52.22 H new ATOM 0 HG3 LYS A 61 -6.403 6.082 -9.381 1.00 52.22 H new ATOM 0 HD2 LYS A 61 -4.269 4.717 -9.681 1.00 22.31 H new ATOM 0 HD3 LYS A 61 -5.160 3.300 -9.162 1.00 22.31 H new ATOM 0 HE2 LYS A 61 -6.841 3.670 -10.970 1.00 14.24 H new ATOM 0 HE3 LYS A 61 -6.003 5.126 -11.470 1.00 14.24 H new ATOM 0 HZ1 LYS A 61 -5.438 3.268 -12.861 1.00 44.14 H new ATOM 0 HZ2 LYS A 61 -4.069 3.795 -12.007 1.00 44.14 H new ATOM 0 HZ3 LYS A 61 -4.881 2.385 -11.522 1.00 44.14 H new ATOM 938 N TRP A 62 -8.061 5.754 -5.182 1.00 24.30 N ATOM 939 CA TRP A 62 -9.373 5.432 -4.627 1.00 53.33 C ATOM 940 C TRP A 62 -10.295 6.643 -4.754 1.00 2.02 C ATOM 941 O TRP A 62 -11.402 6.526 -5.282 1.00 45.41 O ATOM 942 CB TRP A 62 -9.220 4.997 -3.165 1.00 10.43 C ATOM 943 CG TRP A 62 -10.472 4.740 -2.385 1.00 51.45 C ATOM 944 CD1 TRP A 62 -11.467 3.890 -2.721 1.00 54.14 C ATOM 945 CD2 TRP A 62 -10.869 5.328 -1.110 1.00 53.21 C ATOM 946 NE1 TRP A 62 -12.427 3.875 -1.729 1.00 54.32 N ATOM 947 CE2 TRP A 62 -12.110 4.750 -0.710 1.00 34.30 C ATOM 948 CE3 TRP A 62 -10.294 6.287 -0.247 1.00 65.32 C ATOM 949 CZ2 TRP A 62 -12.742 5.098 0.493 1.00 10.12 C ATOM 950 CZ3 TRP A 62 -10.918 6.643 0.963 1.00 71.21 C ATOM 951 CH2 TRP A 62 -12.136 6.046 1.334 1.00 42.31 C ATOM 0 H TRP A 62 -7.296 5.603 -4.525 1.00 24.30 H new ATOM 0 HA TRP A 62 -9.819 4.607 -5.182 1.00 53.33 H new ATOM 0 HB2 TRP A 62 -8.619 4.088 -3.146 1.00 10.43 H new ATOM 0 HB3 TRP A 62 -8.651 5.766 -2.643 1.00 10.43 H new ATOM 0 HD1 TRP A 62 -11.506 3.309 -3.630 1.00 54.14 H new ATOM 0 HE1 TRP A 62 -13.264 3.292 -1.747 1.00 54.32 H new ATOM 0 HE3 TRP A 62 -9.360 6.755 -0.520 1.00 65.32 H new ATOM 0 HZ2 TRP A 62 -13.682 4.643 0.769 1.00 10.12 H new ATOM 0 HZ3 TRP A 62 -10.460 7.377 1.609 1.00 71.21 H new ATOM 0 HH2 TRP A 62 -12.607 6.317 2.268 1.00 42.31 H new ATOM 961 N LYS A 63 -9.837 7.833 -4.349 1.00 52.33 N ATOM 962 CA LYS A 63 -10.611 9.067 -4.497 1.00 32.14 C ATOM 963 C LYS A 63 -10.974 9.374 -5.952 1.00 34.54 C ATOM 964 O LYS A 63 -12.010 9.998 -6.172 1.00 23.23 O ATOM 965 CB LYS A 63 -9.877 10.239 -3.823 1.00 13.10 C ATOM 966 CG LYS A 63 -9.853 10.076 -2.291 1.00 62.35 C ATOM 967 CD LYS A 63 -10.210 11.375 -1.563 1.00 11.11 C ATOM 968 CE LYS A 63 -10.197 11.103 -0.056 1.00 61.52 C ATOM 969 NZ LYS A 63 -10.315 12.333 0.759 1.00 3.42 N ATOM 0 H LYS A 63 -8.925 7.966 -3.912 1.00 52.33 H new ATOM 0 HA LYS A 63 -11.563 8.919 -3.987 1.00 32.14 H new ATOM 0 HB2 LYS A 63 -8.856 10.298 -4.201 1.00 13.10 H new ATOM 0 HB3 LYS A 63 -10.368 11.177 -4.084 1.00 13.10 H new ATOM 0 HG2 LYS A 63 -10.555 9.294 -2.000 1.00 62.35 H new ATOM 0 HG3 LYS A 63 -8.862 9.747 -1.978 1.00 62.35 H new ATOM 0 HD2 LYS A 63 -9.495 12.159 -1.813 1.00 11.11 H new ATOM 0 HD3 LYS A 63 -11.193 11.728 -1.876 1.00 11.11 H new ATOM 0 HE2 LYS A 63 -11.018 10.430 0.192 1.00 61.52 H new ATOM 0 HE3 LYS A 63 -9.272 10.588 0.206 1.00 61.52 H new ATOM 0 HZ1 LYS A 63 -10.300 12.083 1.768 1.00 3.42 H new ATOM 0 HZ2 LYS A 63 -9.518 12.967 0.547 1.00 3.42 H new ATOM 0 HZ3 LYS A 63 -11.209 12.814 0.534 1.00 3.42 H new ATOM 979 N ARG A 64 -10.202 8.897 -6.932 1.00 32.23 N ATOM 980 CA ARG A 64 -10.451 9.014 -8.364 1.00 54.21 C ATOM 981 C ARG A 64 -11.352 7.899 -8.909 1.00 22.20 C ATOM 982 O ARG A 64 -11.497 7.811 -10.132 1.00 54.35 O ATOM 983 CB ARG A 64 -9.083 9.057 -9.080 1.00 41.33 C ATOM 984 CG ARG A 64 -8.626 10.483 -9.419 1.00 63.31 C ATOM 985 CD ARG A 64 -9.452 11.141 -10.536 1.00 34.54 C ATOM 986 NE ARG A 64 -9.497 10.328 -11.766 1.00 5.32 N ATOM 987 CZ ARG A 64 -8.623 10.337 -12.775 1.00 53.42 C ATOM 988 NH1 ARG A 64 -7.497 11.041 -12.698 1.00 32.32 N ATOM 989 NH2 ARG A 64 -8.879 9.633 -13.865 1.00 34.42 N ATOM 0 H ARG A 64 -9.339 8.391 -6.732 1.00 32.23 H new ATOM 0 HA ARG A 64 -11.004 9.933 -8.556 1.00 54.21 H new ATOM 0 HB2 ARG A 64 -8.333 8.582 -8.447 1.00 41.33 H new ATOM 0 HB3 ARG A 64 -9.142 8.473 -9.998 1.00 41.33 H new ATOM 0 HG2 ARG A 64 -8.687 11.099 -8.522 1.00 63.31 H new ATOM 0 HG3 ARG A 64 -7.578 10.459 -9.718 1.00 63.31 H new ATOM 0 HD2 ARG A 64 -10.468 11.309 -10.180 1.00 34.54 H new ATOM 0 HD3 ARG A 64 -9.029 12.119 -10.767 1.00 34.54 H new ATOM 0 HE ARG A 64 -10.285 9.686 -11.856 1.00 5.32 H new ATOM 0 HH11 ARG A 64 -7.291 11.584 -11.859 1.00 32.32 H new ATOM 0 HH12 ARG A 64 -6.839 11.038 -13.477 1.00 32.32 H new ATOM 0 HH21 ARG A 64 -9.739 9.089 -13.930 1.00 34.42 H new ATOM 0 HH22 ARG A 64 -8.216 9.635 -14.640 1.00 34.42 H new ATOM 1000 N ILE A 65 -11.920 7.042 -8.055 1.00 71.42 N ATOM 1001 CA ILE A 65 -12.925 6.046 -8.427 1.00 42.03 C ATOM 1002 C ILE A 65 -14.189 6.210 -7.590 1.00 5.33 C ATOM 1003 O ILE A 65 -15.290 6.044 -8.101 1.00 53.21 O ATOM 1004 CB ILE A 65 -12.379 4.606 -8.305 1.00 33.24 C ATOM 1005 CG1 ILE A 65 -11.087 4.451 -9.123 1.00 53.31 C ATOM 1006 CG2 ILE A 65 -13.451 3.595 -8.765 1.00 70.24 C ATOM 1007 CD1 ILE A 65 -10.444 3.067 -9.020 1.00 54.35 C ATOM 0 H ILE A 65 -11.687 7.023 -7.062 1.00 71.42 H new ATOM 0 HA ILE A 65 -13.176 6.217 -9.474 1.00 42.03 H new ATOM 0 HB ILE A 65 -12.141 4.403 -7.261 1.00 33.24 H new ATOM 0 HG12 ILE A 65 -11.305 4.661 -10.170 1.00 53.31 H new ATOM 0 HG13 ILE A 65 -10.368 5.200 -8.791 1.00 53.31 H new ATOM 0 HG21 ILE A 65 -13.058 2.582 -8.676 1.00 70.24 H new ATOM 0 HG22 ILE A 65 -14.338 3.696 -8.140 1.00 70.24 H new ATOM 0 HG23 ILE A 65 -13.715 3.792 -9.804 1.00 70.24 H new ATOM 0 HD11 ILE A 65 -9.538 3.041 -9.626 1.00 54.35 H new ATOM 0 HD12 ILE A 65 -10.191 2.860 -7.980 1.00 54.35 H new ATOM 0 HD13 ILE A 65 -11.144 2.313 -9.381 1.00 54.35 H new ATOM 1018 N LYS A 66 -14.065 6.482 -6.290 1.00 3.31 N ATOM 1019 CA LYS A 66 -15.234 6.584 -5.422 1.00 43.31 C ATOM 1020 C LYS A 66 -16.055 7.851 -5.693 1.00 45.23 C ATOM 1021 O LYS A 66 -17.199 7.927 -5.253 1.00 10.24 O ATOM 1022 CB LYS A 66 -14.817 6.472 -3.947 1.00 54.15 C ATOM 1023 CG LYS A 66 -13.914 7.628 -3.470 1.00 5.23 C ATOM 1024 CD LYS A 66 -14.416 8.209 -2.151 1.00 25.42 C ATOM 1025 CE LYS A 66 -13.900 9.631 -1.933 1.00 13.44 C ATOM 1026 NZ LYS A 66 -14.551 10.253 -0.763 1.00 13.31 N ATOM 0 H LYS A 66 -13.173 6.634 -5.820 1.00 3.31 H new ATOM 0 HA LYS A 66 -15.892 5.746 -5.653 1.00 43.31 H new ATOM 0 HB2 LYS A 66 -15.713 6.442 -3.326 1.00 54.15 H new ATOM 0 HB3 LYS A 66 -14.294 5.528 -3.797 1.00 54.15 H new ATOM 0 HG2 LYS A 66 -12.892 7.269 -3.347 1.00 5.23 H new ATOM 0 HG3 LYS A 66 -13.888 8.410 -4.229 1.00 5.23 H new ATOM 0 HD2 LYS A 66 -15.506 8.211 -2.145 1.00 25.42 H new ATOM 0 HD3 LYS A 66 -14.094 7.573 -1.326 1.00 25.42 H new ATOM 0 HE2 LYS A 66 -12.820 9.612 -1.786 1.00 13.44 H new ATOM 0 HE3 LYS A 66 -14.090 10.232 -2.822 1.00 13.44 H new ATOM 0 HZ1 LYS A 66 -14.185 11.218 -0.634 1.00 13.31 H new ATOM 0 HZ2 LYS A 66 -15.579 10.290 -0.917 1.00 13.31 H new ATOM 0 HZ3 LYS A 66 -14.348 9.690 0.087 1.00 13.31 H new ATOM 1036 N ALA A 67 -15.491 8.858 -6.368 1.00 42.13 N ATOM 1037 CA ALA A 67 -16.173 10.106 -6.682 1.00 41.11 C ATOM 1038 C ALA A 67 -16.773 10.003 -8.076 1.00 25.31 C ATOM 1039 O ALA A 67 -16.309 10.669 -9.006 1.00 64.54 O ATOM 1040 CB ALA A 67 -15.186 11.265 -6.599 1.00 72.32 C ATOM 0 H ALA A 67 -14.532 8.823 -6.715 1.00 42.13 H new ATOM 0 HA ALA A 67 -16.973 10.288 -5.965 1.00 41.11 H new ATOM 0 HB1 ALA A 67 -15.699 12.197 -6.834 1.00 72.32 H new ATOM 0 HB2 ALA A 67 -14.775 11.321 -5.591 1.00 72.32 H new ATOM 0 HB3 ALA A 67 -14.377 11.106 -7.312 1.00 72.32 H new ATOM 1046 N GLY A 68 -17.732 9.099 -8.245 1.00 34.41 N ATOM 1047 CA GLY A 68 -18.325 8.900 -9.561 1.00 61.11 C ATOM 1048 C GLY A 68 -17.278 8.313 -10.497 1.00 22.50 C ATOM 1049 O GLY A 68 -16.489 7.464 -10.085 1.00 45.35 O ATOM 0 H GLY A 68 -18.108 8.505 -7.506 1.00 34.41 H new ATOM 0 HA2 GLY A 68 -19.182 8.231 -9.489 1.00 61.11 H new ATOM 0 HA3 GLY A 68 -18.692 9.848 -9.955 1.00 61.11 H new ATOM 1053 N ASN A 69 -17.225 8.740 -11.755 1.00 30.30 N ATOM 1054 CA ASN A 69 -16.516 7.985 -12.789 1.00 12.14 C ATOM 1055 C ASN A 69 -15.685 8.911 -13.655 1.00 5.21 C ATOM 1056 O ASN A 69 -15.988 9.151 -14.828 1.00 70.21 O ATOM 1057 CB ASN A 69 -17.466 7.115 -13.618 1.00 31.32 C ATOM 1058 CG ASN A 69 -17.975 5.907 -12.847 1.00 50.22 C ATOM 1059 OD1 ASN A 69 -18.696 6.026 -11.863 1.00 41.02 O ATOM 1060 ND2 ASN A 69 -17.587 4.714 -13.244 1.00 3.40 N ATOM 0 H ASN A 69 -17.662 9.601 -12.085 1.00 30.30 H new ATOM 0 HA ASN A 69 -15.832 7.298 -12.290 1.00 12.14 H new ATOM 0 HB2 ASN A 69 -18.314 7.718 -13.943 1.00 31.32 H new ATOM 0 HB3 ASN A 69 -16.952 6.777 -14.518 1.00 31.32 H new ATOM 0 HD21 ASN A 69 -17.886 3.884 -12.732 1.00 3.40 H new ATOM 0 HD22 ASN A 69 -16.987 4.619 -14.063 1.00 3.40 H new ATOM 1066 N VAL A 70 -14.579 9.376 -13.086 1.00 1.03 N ATOM 1067 CA VAL A 70 -13.529 10.072 -13.809 1.00 2.14 C ATOM 1068 C VAL A 70 -12.662 9.006 -14.499 1.00 74.52 C ATOM 1069 O VAL A 70 -11.508 8.782 -14.126 1.00 73.23 O ATOM 1070 CB VAL A 70 -12.745 11.006 -12.864 1.00 5.11 C ATOM 1071 CG1 VAL A 70 -11.802 11.916 -13.667 1.00 30.42 C ATOM 1072 CG2 VAL A 70 -13.668 11.907 -12.026 1.00 72.55 C ATOM 0 H VAL A 70 -14.386 9.276 -12.089 1.00 1.03 H new ATOM 0 HA VAL A 70 -13.934 10.730 -14.577 1.00 2.14 H new ATOM 0 HB VAL A 70 -12.183 10.356 -12.194 1.00 5.11 H new ATOM 0 HG11 VAL A 70 -11.257 12.568 -12.984 1.00 30.42 H new ATOM 0 HG12 VAL A 70 -11.095 11.304 -14.226 1.00 30.42 H new ATOM 0 HG13 VAL A 70 -12.385 12.522 -14.360 1.00 30.42 H new ATOM 0 HG21 VAL A 70 -13.065 12.544 -11.379 1.00 72.55 H new ATOM 0 HG22 VAL A 70 -14.269 12.529 -12.689 1.00 72.55 H new ATOM 0 HG23 VAL A 70 -14.325 11.287 -11.416 1.00 72.55 H new ATOM 1082 N SER A 71 -13.226 8.286 -15.472 1.00 24.10 N ATOM 1083 CA SER A 71 -12.450 7.867 -16.634 1.00 61.15 C ATOM 1084 C SER A 71 -12.063 9.110 -17.429 1.00 1.20 C ATOM 1085 O SER A 71 -11.160 9.007 -18.293 1.00 62.13 O ATOM 1086 CB SER A 71 -13.240 6.864 -17.480 1.00 31.32 C ATOM 1087 OG SER A 71 -14.589 7.254 -17.674 1.00 43.24 O ATOM 0 H SER A 71 -14.201 7.987 -15.477 1.00 24.10 H new ATOM 0 HA SER A 71 -11.541 7.355 -16.317 1.00 61.15 H new ATOM 0 HB2 SER A 71 -12.755 6.752 -18.450 1.00 31.32 H new ATOM 0 HB3 SER A 71 -13.214 5.888 -16.996 1.00 31.32 H new ATOM 0 HG SER A 71 -15.048 6.583 -18.220 1.00 43.24 H new TER 1092 SER A 71