USER MOD reduce.3.24.130724 H: found=0, std=0, add=589, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 589 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 16 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 18 LYS NZ :NH3+ -152:sc= 1.09 (180deg=-0.6) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.0698 (180deg=-0.366) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= -0.919 K(o=-0.92,f=-3.3!) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 5 HIS :FLIP no HE2:sc= -0.555 F(o=-1.9!,f=-0.55) USER MOD Single : A 6 HIS : no HD1:sc= -0.227 X(o=-0.23,f=-0.23) USER MOD Single : A 7 HIS : no HD1:sc= -0.12 X(o=-0.12,f=-0.011) USER MOD Single : A 8 HIS : no HD1:sc= -0.0668 X(o=-0.067,f=-0.55) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= -0.383 X(o=-0.38,f=-0.22) USER MOD Single : A 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot -19:sc= 1.23 USER MOD Single : A 25 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 29 MET CE :methyl 142:sc= -0.35 (180deg=-2.67!) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 GLN : amide:sc= -2.75! C(o=-2.7!,f=-5.4!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.00448 USER MOD Single : A 49 LYS NZ :NH3+ 144:sc= 1.24 (180deg=0.972) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 180:sc= 0 USER MOD Single : A 60 GLN : amide:sc= -0.891 K(o=-0.89,f=-4.2!) USER MOD Single : A 62 GLN : amide:sc= 0.354 X(o=0.35,f=0) USER MOD Single : A 64 SER OG : rot 180:sc= -0.61 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -4.738 -54.424 -27.713 1.00 41.31 N ATOM 2 CA MET A 1 -4.441 -53.921 -29.081 1.00 42.53 C ATOM 3 C MET A 1 -3.105 -53.162 -29.125 1.00 52.51 C ATOM 4 O MET A 1 -3.002 -52.032 -28.642 1.00 43.34 O ATOM 5 CB MET A 1 -5.584 -53.013 -29.567 1.00 31.53 C ATOM 6 CG MET A 1 -5.355 -52.405 -30.948 1.00 4.02 C ATOM 7 SD MET A 1 -5.086 -53.650 -32.229 1.00 44.35 S ATOM 8 CE MET A 1 -6.626 -54.568 -32.162 1.00 73.02 C ATOM 0 H1 MET A 1 -5.646 -54.931 -27.719 1.00 41.31 H new ATOM 0 H2 MET A 1 -3.982 -55.071 -27.409 1.00 41.31 H new ATOM 0 H3 MET A 1 -4.794 -53.622 -27.053 1.00 41.31 H new ATOM 0 HA MET A 1 -4.356 -54.782 -29.745 1.00 42.53 H new ATOM 0 HB2 MET A 1 -6.509 -53.590 -29.585 1.00 31.53 H new ATOM 0 HB3 MET A 1 -5.725 -52.207 -28.846 1.00 31.53 H new ATOM 0 HG2 MET A 1 -6.216 -51.794 -31.218 1.00 4.02 H new ATOM 0 HG3 MET A 1 -4.492 -51.740 -30.908 1.00 4.02 H new ATOM 0 HE1 MET A 1 -6.712 -55.199 -33.047 1.00 73.02 H new ATOM 0 HE2 MET A 1 -6.639 -55.192 -31.268 1.00 73.02 H new ATOM 0 HE3 MET A 1 -7.464 -53.871 -32.130 1.00 73.02 H new ATOM 20 N GLY A 2 -2.077 -53.797 -29.688 1.00 41.41 N ATOM 21 CA GLY A 2 -0.795 -53.127 -29.887 1.00 5.22 C ATOM 22 C GLY A 2 0.108 -53.108 -28.652 1.00 34.23 C ATOM 23 O GLY A 2 0.525 -52.041 -28.209 1.00 60.51 O ATOM 0 H GLY A 2 -2.107 -54.764 -30.011 1.00 41.41 H new ATOM 0 HA2 GLY A 2 -0.265 -53.619 -30.702 1.00 5.22 H new ATOM 0 HA3 GLY A 2 -0.981 -52.100 -30.202 1.00 5.22 H new ATOM 27 N HIS A 3 0.417 -54.295 -28.117 1.00 1.51 N ATOM 28 CA HIS A 3 1.407 -54.493 -27.025 1.00 13.04 C ATOM 29 C HIS A 3 1.346 -53.449 -25.878 1.00 53.04 C ATOM 30 O HIS A 3 0.852 -53.748 -24.788 1.00 0.20 O ATOM 31 CB HIS A 3 2.845 -54.603 -27.591 1.00 60.21 C ATOM 32 CG HIS A 3 3.231 -53.532 -28.572 1.00 14.02 C ATOM 33 ND1 HIS A 3 3.913 -52.389 -28.218 1.00 42.42 N ATOM 34 CD2 HIS A 3 3.021 -53.434 -29.908 1.00 43.44 C ATOM 35 CE1 HIS A 3 4.099 -51.639 -29.283 1.00 63.45 C ATOM 36 NE2 HIS A 3 3.569 -52.248 -30.324 1.00 12.31 N ATOM 0 H HIS A 3 -0.015 -55.165 -28.428 1.00 1.51 H new ATOM 0 HA HIS A 3 1.120 -55.437 -26.562 1.00 13.04 H new ATOM 0 HB2 HIS A 3 3.548 -54.581 -26.759 1.00 60.21 H new ATOM 0 HB3 HIS A 3 2.954 -55.573 -28.075 1.00 60.21 H new ATOM 0 HD2 HIS A 3 2.515 -54.157 -30.530 1.00 43.44 H new ATOM 0 HE1 HIS A 3 4.602 -50.684 -29.301 1.00 63.45 H new ATOM 0 HE2 HIS A 3 3.567 -51.896 -31.281 1.00 12.31 H new ATOM 45 N HIS A 4 1.849 -52.237 -26.116 1.00 42.22 N ATOM 46 CA HIS A 4 1.990 -51.225 -25.056 1.00 42.34 C ATOM 47 C HIS A 4 1.434 -49.860 -25.499 1.00 30.34 C ATOM 48 O HIS A 4 1.890 -49.288 -26.486 1.00 71.33 O ATOM 49 CB HIS A 4 3.476 -51.104 -24.667 1.00 31.23 C ATOM 50 CG HIS A 4 3.802 -49.962 -23.746 1.00 13.23 C ATOM 51 ND1 HIS A 4 3.711 -50.045 -22.372 1.00 74.52 N ATOM 52 CD2 HIS A 4 4.239 -48.704 -24.010 1.00 62.02 C ATOM 53 CE1 HIS A 4 4.073 -48.896 -21.836 1.00 64.13 C ATOM 54 NE2 HIS A 4 4.397 -48.067 -22.804 1.00 12.14 N ATOM 0 H HIS A 4 2.168 -51.927 -27.034 1.00 42.22 H new ATOM 0 HA HIS A 4 1.409 -51.544 -24.191 1.00 42.34 H new ATOM 0 HB2 HIS A 4 3.788 -52.034 -24.192 1.00 31.23 H new ATOM 0 HB3 HIS A 4 4.066 -50.997 -25.577 1.00 31.23 H new ATOM 0 HD2 HIS A 4 4.427 -48.283 -24.987 1.00 62.02 H new ATOM 0 HE1 HIS A 4 4.099 -48.673 -20.780 1.00 64.13 H new ATOM 0 HE2 HIS A 4 4.714 -47.106 -22.679 1.00 12.14 H new ATOM 63 N HIS A 5 0.450 -49.338 -24.758 1.00 11.12 N ATOM 64 CA HIS A 5 -0.131 -48.015 -25.058 1.00 12.12 C ATOM 65 C HIS A 5 -0.466 -47.220 -23.780 1.00 25.22 C ATOM 66 O HIS A 5 -1.633 -47.104 -23.396 1.00 63.05 O ATOM 67 CB HIS A 5 -1.387 -48.155 -25.934 1.00 64.22 C ATOM 68 CG HIS A 5 -1.093 -48.471 -27.366 1.00 41.15 C ATOM 69 ND1 HIS A 5 -0.537 -47.713 -28.341 1.00 52.50 N flip ATOM 70 CD2 HIS A 5 -1.393 -49.680 -27.953 1.00 14.22 C flip ATOM 71 CE1 HIS A 5 -0.516 -48.472 -29.478 1.00 32.31 C flip ATOM 72 NE2 HIS A 5 -1.036 -49.652 -29.220 1.00 13.11 N flip ATOM 0 H HIS A 5 0.038 -49.805 -23.950 1.00 11.12 H new ATOM 0 HA HIS A 5 0.628 -47.456 -25.606 1.00 12.12 H new ATOM 0 HB2 HIS A 5 -2.021 -48.940 -25.521 1.00 64.22 H new ATOM 0 HB3 HIS A 5 -1.957 -47.227 -25.886 1.00 64.22 H new ATOM 0 HD1 HIS A 5 -0.198 -46.756 -28.245 1.00 52.50 H new ATOM 0 HD2 HIS A 5 -1.850 -50.521 -27.452 1.00 14.22 H new ATOM 0 HE1 HIS A 5 -0.133 -48.153 -30.436 1.00 32.31 H new ATOM 81 N HIS A 6 0.573 -46.695 -23.127 1.00 22.20 N ATOM 82 CA HIS A 6 0.432 -45.799 -21.962 1.00 1.20 C ATOM 83 C HIS A 6 1.819 -45.422 -21.406 1.00 3.23 C ATOM 84 O HIS A 6 2.566 -46.281 -20.935 1.00 61.33 O ATOM 85 CB HIS A 6 -0.443 -46.419 -20.849 1.00 43.34 C ATOM 86 CG HIS A 6 0.129 -47.646 -20.203 1.00 41.31 C ATOM 87 ND1 HIS A 6 0.320 -47.758 -18.841 1.00 22.32 N ATOM 88 CD2 HIS A 6 0.537 -48.825 -20.731 1.00 30.24 C ATOM 89 CE1 HIS A 6 0.819 -48.944 -18.561 1.00 14.01 C ATOM 90 NE2 HIS A 6 0.961 -49.610 -19.687 1.00 24.44 N ATOM 0 H HIS A 6 1.542 -46.876 -23.387 1.00 22.20 H new ATOM 0 HA HIS A 6 -0.075 -44.898 -22.307 1.00 1.20 H new ATOM 0 HB2 HIS A 6 -0.612 -45.666 -20.079 1.00 43.34 H new ATOM 0 HB3 HIS A 6 -1.417 -46.669 -21.270 1.00 43.34 H new ATOM 0 HD2 HIS A 6 0.530 -49.096 -21.776 1.00 30.24 H new ATOM 0 HE1 HIS A 6 1.069 -49.308 -17.575 1.00 14.01 H new ATOM 0 HE2 HIS A 6 1.328 -50.558 -19.771 1.00 24.44 H new ATOM 99 N HIS A 7 2.167 -44.140 -21.480 1.00 10.54 N ATOM 100 CA HIS A 7 3.491 -43.663 -21.048 1.00 42.55 C ATOM 101 C HIS A 7 3.415 -42.835 -19.752 1.00 33.42 C ATOM 102 O HIS A 7 2.356 -42.713 -19.137 1.00 2.32 O ATOM 103 CB HIS A 7 4.147 -42.838 -22.169 1.00 13.11 C ATOM 104 CG HIS A 7 3.328 -41.673 -22.634 1.00 52.31 C ATOM 105 ND1 HIS A 7 2.715 -41.630 -23.864 1.00 43.41 N ATOM 106 CD2 HIS A 7 3.033 -40.498 -22.032 1.00 33.34 C ATOM 107 CE1 HIS A 7 2.081 -40.485 -24.000 1.00 14.41 C ATOM 108 NE2 HIS A 7 2.257 -39.778 -22.903 1.00 53.21 N ATOM 0 H HIS A 7 1.554 -43.406 -21.835 1.00 10.54 H new ATOM 0 HA HIS A 7 4.102 -44.540 -20.837 1.00 42.55 H new ATOM 0 HB2 HIS A 7 5.112 -42.472 -21.818 1.00 13.11 H new ATOM 0 HB3 HIS A 7 4.343 -43.492 -23.019 1.00 13.11 H new ATOM 0 HD2 HIS A 7 3.350 -40.185 -21.048 1.00 33.34 H new ATOM 0 HE1 HIS A 7 1.512 -40.177 -24.865 1.00 14.41 H new ATOM 0 HE2 HIS A 7 1.878 -38.847 -22.730 1.00 53.21 H new ATOM 117 N HIS A 8 4.555 -42.282 -19.335 1.00 45.14 N ATOM 118 CA HIS A 8 4.614 -41.409 -18.153 1.00 13.31 C ATOM 119 C HIS A 8 5.515 -40.188 -18.412 1.00 4.43 C ATOM 120 O HIS A 8 6.724 -40.324 -18.595 1.00 3.21 O ATOM 121 CB HIS A 8 5.100 -42.189 -16.918 1.00 63.12 C ATOM 122 CG HIS A 8 6.341 -43.005 -17.143 1.00 23.52 C ATOM 123 ND1 HIS A 8 7.619 -42.515 -16.958 1.00 71.10 N ATOM 124 CD2 HIS A 8 6.494 -44.298 -17.525 1.00 21.00 C ATOM 125 CE1 HIS A 8 8.495 -43.464 -17.215 1.00 31.15 C ATOM 126 NE2 HIS A 8 7.840 -44.553 -17.560 1.00 3.10 N ATOM 0 H HIS A 8 5.454 -42.421 -19.797 1.00 45.14 H new ATOM 0 HA HIS A 8 3.605 -41.049 -17.954 1.00 13.31 H new ATOM 0 HB2 HIS A 8 5.287 -41.483 -16.109 1.00 63.12 H new ATOM 0 HB3 HIS A 8 4.301 -42.851 -16.585 1.00 63.12 H new ATOM 0 HD2 HIS A 8 5.703 -44.996 -17.758 1.00 21.00 H new ATOM 0 HE1 HIS A 8 9.569 -43.366 -17.153 1.00 31.15 H new ATOM 0 HE2 HIS A 8 8.267 -45.444 -17.813 1.00 3.10 H new ATOM 135 N SER A 9 4.916 -38.998 -18.421 1.00 31.14 N ATOM 136 CA SER A 9 5.642 -37.752 -18.727 1.00 24.10 C ATOM 137 C SER A 9 5.979 -36.961 -17.456 1.00 32.24 C ATOM 138 O SER A 9 5.544 -37.307 -16.357 1.00 2.42 O ATOM 139 CB SER A 9 4.805 -36.872 -19.670 1.00 3.44 C ATOM 140 OG SER A 9 3.540 -36.549 -19.100 1.00 74.51 O ATOM 0 H SER A 9 3.925 -38.864 -18.220 1.00 31.14 H new ATOM 0 HA SER A 9 6.578 -38.030 -19.211 1.00 24.10 H new ATOM 0 HB2 SER A 9 5.350 -35.954 -19.892 1.00 3.44 H new ATOM 0 HB3 SER A 9 4.656 -37.391 -20.617 1.00 3.44 H new ATOM 0 HG SER A 9 3.034 -35.988 -19.724 1.00 74.51 H new ATOM 146 N HIS A 10 6.747 -35.885 -17.613 1.00 45.24 N ATOM 147 CA HIS A 10 7.122 -35.025 -16.481 1.00 61.53 C ATOM 148 C HIS A 10 6.972 -33.529 -16.826 1.00 61.34 C ATOM 149 O HIS A 10 7.881 -32.914 -17.381 1.00 41.11 O ATOM 150 CB HIS A 10 8.560 -35.340 -16.027 1.00 11.21 C ATOM 151 CG HIS A 10 9.568 -35.352 -17.140 1.00 14.21 C ATOM 152 ND1 HIS A 10 9.811 -36.462 -17.922 1.00 14.54 N ATOM 153 CD2 HIS A 10 10.399 -34.386 -17.605 1.00 40.34 C ATOM 154 CE1 HIS A 10 10.739 -36.181 -18.811 1.00 73.51 C ATOM 155 NE2 HIS A 10 11.112 -34.932 -18.642 1.00 50.42 N ATOM 0 H HIS A 10 7.124 -35.584 -18.511 1.00 45.24 H new ATOM 0 HA HIS A 10 6.438 -35.237 -15.659 1.00 61.53 H new ATOM 0 HB2 HIS A 10 8.864 -34.603 -15.284 1.00 11.21 H new ATOM 0 HB3 HIS A 10 8.569 -36.312 -15.534 1.00 11.21 H new ATOM 0 HD2 HIS A 10 10.483 -33.377 -17.229 1.00 40.34 H new ATOM 0 HE1 HIS A 10 11.128 -36.861 -19.554 1.00 73.51 H new ATOM 0 HE2 HIS A 10 11.819 -34.446 -19.194 1.00 50.42 H new ATOM 164 N MET A 11 5.807 -32.959 -16.515 1.00 41.14 N ATOM 165 CA MET A 11 5.550 -31.527 -16.742 1.00 65.33 C ATOM 166 C MET A 11 5.899 -30.698 -15.495 1.00 21.03 C ATOM 167 O MET A 11 5.627 -31.116 -14.365 1.00 62.05 O ATOM 168 CB MET A 11 4.077 -31.296 -17.113 1.00 44.10 C ATOM 169 CG MET A 11 3.624 -32.029 -18.369 1.00 62.41 C ATOM 170 SD MET A 11 1.909 -31.661 -18.802 1.00 44.24 S ATOM 171 CE MET A 11 1.701 -32.683 -20.261 1.00 64.13 C ATOM 0 H MET A 11 5.022 -33.464 -16.104 1.00 41.14 H new ATOM 0 HA MET A 11 6.185 -31.204 -17.567 1.00 65.33 H new ATOM 0 HB2 MET A 11 3.451 -31.610 -16.278 1.00 44.10 H new ATOM 0 HB3 MET A 11 3.913 -30.227 -17.251 1.00 44.10 H new ATOM 0 HG2 MET A 11 4.273 -31.754 -19.201 1.00 62.41 H new ATOM 0 HG3 MET A 11 3.736 -33.103 -18.220 1.00 62.41 H new ATOM 0 HE1 MET A 11 0.689 -32.565 -20.647 1.00 64.13 H new ATOM 0 HE2 MET A 11 2.418 -32.379 -21.024 1.00 64.13 H new ATOM 0 HE3 MET A 11 1.870 -33.728 -20.000 1.00 64.13 H new ATOM 181 N SER A 12 6.493 -29.523 -15.702 1.00 22.10 N ATOM 182 CA SER A 12 6.884 -28.643 -14.587 1.00 2.14 C ATOM 183 C SER A 12 5.770 -27.651 -14.218 1.00 64.04 C ATOM 184 O SER A 12 5.607 -27.305 -13.049 1.00 10.33 O ATOM 185 CB SER A 12 8.163 -27.870 -14.938 1.00 2.33 C ATOM 186 OG SER A 12 8.575 -27.037 -13.860 1.00 50.30 O ATOM 0 H SER A 12 6.716 -29.154 -16.626 1.00 22.10 H new ATOM 0 HA SER A 12 7.066 -29.282 -13.723 1.00 2.14 H new ATOM 0 HB2 SER A 12 8.960 -28.573 -15.183 1.00 2.33 H new ATOM 0 HB3 SER A 12 7.991 -27.261 -15.826 1.00 2.33 H new ATOM 0 HG SER A 12 9.392 -26.558 -14.111 1.00 50.30 H new ATOM 192 N THR A 13 5.011 -27.209 -15.233 1.00 71.13 N ATOM 193 CA THR A 13 3.923 -26.212 -15.082 1.00 62.12 C ATOM 194 C THR A 13 4.444 -24.841 -14.598 1.00 70.40 C ATOM 195 O THR A 13 5.372 -24.768 -13.791 1.00 74.21 O ATOM 196 CB THR A 13 2.774 -26.683 -14.138 1.00 32.55 C ATOM 197 OG1 THR A 13 3.153 -26.598 -12.750 1.00 20.33 O ATOM 198 CG2 THR A 13 2.353 -28.115 -14.462 1.00 14.04 C ATOM 0 H THR A 13 5.131 -27.532 -16.193 1.00 71.13 H new ATOM 0 HA THR A 13 3.512 -26.106 -16.086 1.00 62.12 H new ATOM 0 HB THR A 13 1.932 -26.012 -14.308 1.00 32.55 H new ATOM 0 HG1 THR A 13 4.130 -26.557 -12.680 1.00 20.33 H new ATOM 0 HG21 THR A 13 1.551 -28.419 -13.790 1.00 14.04 H new ATOM 0 HG22 THR A 13 2.002 -28.167 -15.493 1.00 14.04 H new ATOM 0 HG23 THR A 13 3.205 -28.782 -14.335 1.00 14.04 H new ATOM 206 N PRO A 14 3.851 -23.728 -15.089 1.00 15.12 N ATOM 207 CA PRO A 14 4.280 -22.360 -14.716 1.00 3.01 C ATOM 208 C PRO A 14 4.274 -22.097 -13.195 1.00 53.31 C ATOM 209 O PRO A 14 3.662 -22.837 -12.417 1.00 53.44 O ATOM 210 CB PRO A 14 3.245 -21.459 -15.416 1.00 13.23 C ATOM 211 CG PRO A 14 2.726 -22.285 -16.544 1.00 32.42 C ATOM 212 CD PRO A 14 2.728 -23.707 -16.048 1.00 72.42 C ATOM 0 HA PRO A 14 5.313 -22.180 -15.015 1.00 3.01 H new ATOM 0 HB2 PRO A 14 2.444 -21.172 -14.734 1.00 13.23 H new ATOM 0 HB3 PRO A 14 3.702 -20.538 -15.777 1.00 13.23 H new ATOM 0 HG2 PRO A 14 1.721 -21.972 -16.828 1.00 32.42 H new ATOM 0 HG3 PRO A 14 3.355 -22.179 -17.428 1.00 32.42 H new ATOM 0 HD2 PRO A 14 1.784 -23.968 -15.569 1.00 72.42 H new ATOM 0 HD3 PRO A 14 2.879 -24.417 -16.861 1.00 72.42 H new ATOM 220 N LEU A 15 4.949 -21.026 -12.776 1.00 44.22 N ATOM 221 CA LEU A 15 5.018 -20.655 -11.358 1.00 54.32 C ATOM 222 C LEU A 15 4.452 -19.247 -11.121 1.00 35.35 C ATOM 223 O LEU A 15 4.283 -18.466 -12.060 1.00 41.22 O ATOM 224 CB LEU A 15 6.461 -20.762 -10.819 1.00 73.25 C ATOM 225 CG LEU A 15 7.546 -19.968 -11.579 1.00 13.33 C ATOM 226 CD1 LEU A 15 8.764 -19.732 -10.685 1.00 72.22 C ATOM 227 CD2 LEU A 15 7.977 -20.701 -12.853 1.00 34.15 C ATOM 0 H LEU A 15 5.457 -20.398 -13.398 1.00 44.22 H new ATOM 0 HA LEU A 15 4.400 -21.363 -10.806 1.00 54.32 H new ATOM 0 HB2 LEU A 15 6.462 -20.431 -9.781 1.00 73.25 H new ATOM 0 HB3 LEU A 15 6.747 -21.814 -10.818 1.00 73.25 H new ATOM 0 HG LEU A 15 7.116 -19.007 -11.860 1.00 13.33 H new ATOM 0 HD11 LEU A 15 9.518 -19.171 -11.238 1.00 72.22 H new ATOM 0 HD12 LEU A 15 8.464 -19.165 -9.803 1.00 72.22 H new ATOM 0 HD13 LEU A 15 9.180 -20.691 -10.376 1.00 72.22 H new ATOM 0 HD21 LEU A 15 8.741 -20.118 -13.367 1.00 34.15 H new ATOM 0 HD22 LEU A 15 8.381 -21.679 -12.591 1.00 34.15 H new ATOM 0 HD23 LEU A 15 7.116 -20.828 -13.509 1.00 34.15 H new ATOM 239 N THR A 16 4.160 -18.932 -9.861 1.00 24.21 N ATOM 240 CA THR A 16 3.496 -17.669 -9.502 1.00 52.33 C ATOM 241 C THR A 16 4.391 -16.440 -9.722 1.00 42.13 C ATOM 242 O THR A 16 5.411 -16.267 -9.048 1.00 31.33 O ATOM 243 CB THR A 16 3.021 -17.670 -8.024 1.00 54.41 C ATOM 244 OG1 THR A 16 4.138 -17.869 -7.135 1.00 70.11 O ATOM 245 CG2 THR A 16 1.975 -18.754 -7.783 1.00 34.21 C ATOM 0 H THR A 16 4.372 -19.533 -9.065 1.00 24.21 H new ATOM 0 HA THR A 16 2.637 -17.599 -10.169 1.00 52.33 H new ATOM 0 HB THR A 16 2.569 -16.699 -7.821 1.00 54.41 H new ATOM 0 HG1 THR A 16 3.822 -17.865 -6.207 1.00 70.11 H new ATOM 0 HG21 THR A 16 1.661 -18.731 -6.739 1.00 34.21 H new ATOM 0 HG22 THR A 16 1.113 -18.577 -8.426 1.00 34.21 H new ATOM 0 HG23 THR A 16 2.403 -19.730 -8.012 1.00 34.21 H new ATOM 253 N GLY A 17 3.998 -15.590 -10.674 1.00 50.41 N ATOM 254 CA GLY A 17 4.660 -14.304 -10.869 1.00 31.23 C ATOM 255 C GLY A 17 4.311 -13.320 -9.758 1.00 61.10 C ATOM 256 O GLY A 17 3.132 -13.065 -9.495 1.00 74.13 O ATOM 0 H GLY A 17 3.228 -15.771 -11.318 1.00 50.41 H new ATOM 0 HA2 GLY A 17 5.740 -14.451 -10.900 1.00 31.23 H new ATOM 0 HA3 GLY A 17 4.367 -13.886 -11.832 1.00 31.23 H new ATOM 260 N LYS A 18 5.325 -12.759 -9.109 1.00 31.31 N ATOM 261 CA LYS A 18 5.117 -11.959 -7.899 1.00 4.31 C ATOM 262 C LYS A 18 6.311 -11.035 -7.604 1.00 23.41 C ATOM 263 O LYS A 18 7.463 -11.377 -7.891 1.00 33.10 O ATOM 264 CB LYS A 18 4.898 -12.914 -6.715 1.00 3.41 C ATOM 265 CG LYS A 18 6.045 -13.908 -6.536 1.00 3.32 C ATOM 266 CD LYS A 18 5.682 -15.064 -5.612 1.00 15.14 C ATOM 267 CE LYS A 18 6.779 -16.124 -5.607 1.00 65.33 C ATOM 268 NZ LYS A 18 7.097 -16.601 -6.984 1.00 72.14 N ATOM 0 H LYS A 18 6.300 -12.841 -9.397 1.00 31.31 H new ATOM 0 HA LYS A 18 4.246 -11.322 -8.052 1.00 4.31 H new ATOM 0 HB2 LYS A 18 4.782 -12.332 -5.801 1.00 3.41 H new ATOM 0 HB3 LYS A 18 3.968 -13.462 -6.864 1.00 3.41 H new ATOM 0 HG2 LYS A 18 6.333 -14.303 -7.510 1.00 3.32 H new ATOM 0 HG3 LYS A 18 6.913 -13.386 -6.134 1.00 3.32 H new ATOM 0 HD2 LYS A 18 5.527 -14.691 -4.600 1.00 15.14 H new ATOM 0 HD3 LYS A 18 4.741 -15.510 -5.934 1.00 15.14 H new ATOM 0 HE2 LYS A 18 7.678 -15.714 -5.148 1.00 65.33 H new ATOM 0 HE3 LYS A 18 6.465 -16.969 -4.994 1.00 65.33 H new ATOM 0 HZ1 LYS A 18 7.449 -17.579 -6.940 1.00 72.14 H new ATOM 0 HZ2 LYS A 18 6.238 -16.568 -7.570 1.00 72.14 H new ATOM 0 HZ3 LYS A 18 7.826 -15.989 -7.404 1.00 72.14 H new ATOM 282 N PRO A 19 6.052 -9.843 -7.030 1.00 54.35 N ATOM 283 CA PRO A 19 7.118 -8.955 -6.547 1.00 51.32 C ATOM 284 C PRO A 19 7.695 -9.429 -5.199 1.00 64.35 C ATOM 285 O PRO A 19 6.973 -9.506 -4.201 1.00 72.20 O ATOM 286 CB PRO A 19 6.402 -7.609 -6.396 1.00 65.23 C ATOM 287 CG PRO A 19 4.984 -7.969 -6.088 1.00 74.33 C ATOM 288 CD PRO A 19 4.708 -9.256 -6.827 1.00 23.03 C ATOM 0 HA PRO A 19 7.974 -8.920 -7.221 1.00 51.32 H new ATOM 0 HB2 PRO A 19 6.842 -7.013 -5.597 1.00 65.23 H new ATOM 0 HB3 PRO A 19 6.472 -7.018 -7.309 1.00 65.23 H new ATOM 0 HG2 PRO A 19 4.839 -8.097 -5.015 1.00 74.33 H new ATOM 0 HG3 PRO A 19 4.303 -7.181 -6.410 1.00 74.33 H new ATOM 0 HD2 PRO A 19 4.065 -9.919 -6.248 1.00 23.03 H new ATOM 0 HD3 PRO A 19 4.204 -9.072 -7.776 1.00 23.03 H new ATOM 296 N GLY A 20 8.988 -9.763 -5.176 1.00 52.20 N ATOM 297 CA GLY A 20 9.632 -10.230 -3.944 1.00 3.31 C ATOM 298 C GLY A 20 9.433 -9.277 -2.767 1.00 42.23 C ATOM 299 O GLY A 20 9.272 -9.707 -1.624 1.00 74.32 O ATOM 0 H GLY A 20 9.605 -9.720 -5.987 1.00 52.20 H new ATOM 0 HA2 GLY A 20 9.234 -11.210 -3.682 1.00 3.31 H new ATOM 0 HA3 GLY A 20 10.699 -10.357 -4.125 1.00 3.31 H new ATOM 303 N ALA A 21 9.438 -7.981 -3.058 1.00 31.01 N ATOM 304 CA ALA A 21 9.183 -6.949 -2.052 1.00 44.31 C ATOM 305 C ALA A 21 8.419 -5.766 -2.666 1.00 4.03 C ATOM 306 O ALA A 21 8.267 -5.678 -3.888 1.00 44.33 O ATOM 307 CB ALA A 21 10.494 -6.476 -1.432 1.00 10.21 C ATOM 0 H ALA A 21 9.618 -7.614 -3.993 1.00 31.01 H new ATOM 0 HA ALA A 21 8.564 -7.382 -1.266 1.00 44.31 H new ATOM 0 HB1 ALA A 21 10.288 -5.709 -0.686 1.00 10.21 H new ATOM 0 HB2 ALA A 21 10.997 -7.318 -0.957 1.00 10.21 H new ATOM 0 HB3 ALA A 21 11.136 -6.062 -2.210 1.00 10.21 H new ATOM 313 N LEU A 22 7.945 -4.857 -1.820 1.00 21.12 N ATOM 314 CA LEU A 22 7.211 -3.673 -2.285 1.00 20.42 C ATOM 315 C LEU A 22 8.135 -2.442 -2.352 1.00 72.01 C ATOM 316 O LEU A 22 9.125 -2.362 -1.621 1.00 71.51 O ATOM 317 CB LEU A 22 6.015 -3.398 -1.357 1.00 3.10 C ATOM 318 CG LEU A 22 4.932 -4.490 -1.347 1.00 1.44 C ATOM 319 CD1 LEU A 22 3.814 -4.135 -0.369 1.00 75.24 C ATOM 320 CD2 LEU A 22 4.376 -4.709 -2.753 1.00 42.11 C ATOM 0 H LEU A 22 8.053 -4.913 -0.807 1.00 21.12 H new ATOM 0 HA LEU A 22 6.841 -3.870 -3.291 1.00 20.42 H new ATOM 0 HB2 LEU A 22 6.386 -3.267 -0.341 1.00 3.10 H new ATOM 0 HB3 LEU A 22 5.555 -2.455 -1.652 1.00 3.10 H new ATOM 0 HG LEU A 22 5.389 -5.422 -1.013 1.00 1.44 H new ATOM 0 HD11 LEU A 22 3.059 -4.921 -0.378 1.00 75.24 H new ATOM 0 HD12 LEU A 22 4.226 -4.040 0.636 1.00 75.24 H new ATOM 0 HD13 LEU A 22 3.358 -3.190 -0.665 1.00 75.24 H new ATOM 0 HD21 LEU A 22 3.611 -5.485 -2.725 1.00 42.11 H new ATOM 0 HD22 LEU A 22 3.938 -3.781 -3.120 1.00 42.11 H new ATOM 0 HD23 LEU A 22 5.182 -5.018 -3.419 1.00 42.11 H new ATOM 332 N PRO A 23 7.832 -1.473 -3.244 1.00 70.02 N ATOM 333 CA PRO A 23 8.646 -0.250 -3.401 1.00 31.12 C ATOM 334 C PRO A 23 8.746 0.575 -2.104 1.00 12.42 C ATOM 335 O PRO A 23 7.783 0.685 -1.346 1.00 61.41 O ATOM 336 CB PRO A 23 7.906 0.542 -4.496 1.00 24.12 C ATOM 337 CG PRO A 23 6.529 -0.034 -4.534 1.00 41.45 C ATOM 338 CD PRO A 23 6.683 -1.483 -4.170 1.00 64.45 C ATOM 0 HA PRO A 23 9.679 -0.487 -3.655 1.00 31.12 H new ATOM 0 HB2 PRO A 23 7.881 1.607 -4.263 1.00 24.12 H new ATOM 0 HB3 PRO A 23 8.403 0.438 -5.461 1.00 24.12 H new ATOM 0 HG2 PRO A 23 5.871 0.478 -3.832 1.00 41.45 H new ATOM 0 HG3 PRO A 23 6.086 0.076 -5.524 1.00 41.45 H new ATOM 0 HD2 PRO A 23 5.785 -1.877 -3.694 1.00 64.45 H new ATOM 0 HD3 PRO A 23 6.877 -2.101 -5.047 1.00 64.45 H new ATOM 346 N ALA A 24 9.920 1.153 -1.858 1.00 22.23 N ATOM 347 CA ALA A 24 10.149 1.964 -0.655 1.00 54.20 C ATOM 348 C ALA A 24 9.484 3.346 -0.762 1.00 14.41 C ATOM 349 O ALA A 24 9.148 3.966 0.249 1.00 54.02 O ATOM 350 CB ALA A 24 11.646 2.111 -0.406 1.00 21.44 C ATOM 0 H ALA A 24 10.730 1.077 -2.473 1.00 22.23 H new ATOM 0 HA ALA A 24 9.691 1.448 0.189 1.00 54.20 H new ATOM 0 HB1 ALA A 24 11.809 2.714 0.488 1.00 21.44 H new ATOM 0 HB2 ALA A 24 12.090 1.126 -0.265 1.00 21.44 H new ATOM 0 HB3 ALA A 24 12.111 2.599 -1.262 1.00 21.44 H new ATOM 356 N ASN A 25 9.266 3.811 -1.991 1.00 24.34 N ATOM 357 CA ASN A 25 8.723 5.156 -2.233 1.00 63.13 C ATOM 358 C ASN A 25 7.180 5.193 -2.211 1.00 62.33 C ATOM 359 O ASN A 25 6.562 5.960 -2.953 1.00 62.24 O ATOM 360 CB ASN A 25 9.242 5.687 -3.577 1.00 44.50 C ATOM 361 CG ASN A 25 10.755 5.840 -3.593 1.00 23.11 C ATOM 362 OD1 ASN A 25 11.377 6.100 -2.570 1.00 24.44 O ATOM 363 ND2 ASN A 25 11.359 5.684 -4.753 1.00 12.40 N ATOM 0 H ASN A 25 9.456 3.278 -2.840 1.00 24.34 H new ATOM 0 HA ASN A 25 9.065 5.794 -1.418 1.00 63.13 H new ATOM 0 HB2 ASN A 25 8.939 5.008 -4.374 1.00 44.50 H new ATOM 0 HB3 ASN A 25 8.779 6.651 -3.787 1.00 44.50 H new ATOM 0 HD21 ASN A 25 12.373 5.779 -4.817 1.00 12.40 H new ATOM 0 HD22 ASN A 25 10.813 5.468 -5.587 1.00 12.40 H new ATOM 370 N LEU A 26 6.564 4.401 -1.328 1.00 61.53 N ATOM 371 CA LEU A 26 5.100 4.428 -1.151 1.00 65.22 C ATOM 372 C LEU A 26 4.614 5.851 -0.820 1.00 41.35 C ATOM 373 O LEU A 26 3.495 6.234 -1.155 1.00 63.00 O ATOM 374 CB LEU A 26 4.676 3.455 -0.042 1.00 64.45 C ATOM 375 CG LEU A 26 5.072 1.985 -0.263 1.00 22.35 C ATOM 376 CD1 LEU A 26 4.637 1.129 0.922 1.00 32.10 C ATOM 377 CD2 LEU A 26 4.473 1.452 -1.565 1.00 51.11 C ATOM 0 H LEU A 26 7.049 3.735 -0.726 1.00 61.53 H new ATOM 0 HA LEU A 26 4.640 4.116 -2.089 1.00 65.22 H new ATOM 0 HB2 LEU A 26 5.110 3.793 0.899 1.00 64.45 H new ATOM 0 HB3 LEU A 26 3.593 3.508 0.070 1.00 64.45 H new ATOM 0 HG LEU A 26 6.158 1.932 -0.343 1.00 22.35 H new ATOM 0 HD11 LEU A 26 4.926 0.092 0.748 1.00 32.10 H new ATOM 0 HD12 LEU A 26 5.119 1.492 1.830 1.00 32.10 H new ATOM 0 HD13 LEU A 26 3.555 1.190 1.037 1.00 32.10 H new ATOM 0 HD21 LEU A 26 4.766 0.411 -1.701 1.00 51.11 H new ATOM 0 HD22 LEU A 26 3.386 1.520 -1.520 1.00 51.11 H new ATOM 0 HD23 LEU A 26 4.839 2.044 -2.403 1.00 51.11 H new ATOM 389 N ASP A 27 5.479 6.629 -0.172 1.00 13.13 N ATOM 390 CA ASP A 27 5.197 8.033 0.138 1.00 64.40 C ATOM 391 C ASP A 27 5.063 8.875 -1.146 1.00 12.44 C ATOM 392 O ASP A 27 4.264 9.811 -1.211 1.00 64.31 O ATOM 393 CB ASP A 27 6.312 8.596 1.023 1.00 3.53 C ATOM 394 CG ASP A 27 6.536 7.751 2.266 1.00 65.05 C ATOM 395 OD1 ASP A 27 7.116 6.651 2.143 1.00 61.15 O ATOM 396 OD2 ASP A 27 6.128 8.176 3.369 1.00 53.35 O ATOM 0 H ASP A 27 6.391 6.308 0.152 1.00 13.13 H new ATOM 0 HA ASP A 27 4.247 8.083 0.670 1.00 64.40 H new ATOM 0 HB2 ASP A 27 7.237 8.649 0.450 1.00 3.53 H new ATOM 0 HB3 ASP A 27 6.061 9.615 1.318 1.00 3.53 H new ATOM 401 N ASP A 28 5.858 8.536 -2.162 1.00 55.32 N ATOM 402 CA ASP A 28 5.800 9.214 -3.462 1.00 0.15 C ATOM 403 C ASP A 28 4.660 8.659 -4.331 1.00 4.33 C ATOM 404 O ASP A 28 4.185 9.321 -5.255 1.00 65.31 O ATOM 405 CB ASP A 28 7.139 9.076 -4.197 1.00 42.20 C ATOM 406 CG ASP A 28 8.269 9.777 -3.465 1.00 35.54 C ATOM 407 OD1 ASP A 28 8.310 11.025 -3.489 1.00 10.33 O ATOM 408 OD2 ASP A 28 9.115 9.089 -2.858 1.00 14.25 O ATOM 0 H ASP A 28 6.554 7.792 -2.111 1.00 55.32 H new ATOM 0 HA ASP A 28 5.602 10.270 -3.279 1.00 0.15 H new ATOM 0 HB2 ASP A 28 7.382 8.020 -4.311 1.00 42.20 H new ATOM 0 HB3 ASP A 28 7.045 9.491 -5.200 1.00 42.20 H new ATOM 413 N MET A 29 4.231 7.437 -4.034 1.00 72.05 N ATOM 414 CA MET A 29 3.083 6.836 -4.715 1.00 41.01 C ATOM 415 C MET A 29 1.776 7.499 -4.254 1.00 43.13 C ATOM 416 O MET A 29 1.478 7.549 -3.061 1.00 51.15 O ATOM 417 CB MET A 29 3.038 5.324 -4.451 1.00 32.11 C ATOM 418 CG MET A 29 4.285 4.578 -4.920 1.00 75.42 C ATOM 419 SD MET A 29 4.193 2.802 -4.610 1.00 72.25 S ATOM 420 CE MET A 29 2.787 2.346 -5.623 1.00 31.14 C ATOM 0 H MET A 29 4.659 6.841 -3.326 1.00 72.05 H new ATOM 0 HA MET A 29 3.193 6.999 -5.787 1.00 41.01 H new ATOM 0 HB2 MET A 29 2.906 5.155 -3.382 1.00 32.11 H new ATOM 0 HB3 MET A 29 2.165 4.903 -4.951 1.00 32.11 H new ATOM 0 HG2 MET A 29 4.426 4.749 -5.987 1.00 75.42 H new ATOM 0 HG3 MET A 29 5.160 4.986 -4.413 1.00 75.42 H new ATOM 0 HE1 MET A 29 2.971 1.377 -6.086 1.00 31.14 H new ATOM 0 HE2 MET A 29 1.894 2.287 -5.001 1.00 31.14 H new ATOM 0 HE3 MET A 29 2.639 3.097 -6.399 1.00 31.14 H new ATOM 430 N LYS A 30 1.003 8.013 -5.204 1.00 60.52 N ATOM 431 CA LYS A 30 -0.239 8.729 -4.892 1.00 54.10 C ATOM 432 C LYS A 30 -1.346 7.773 -4.420 1.00 11.01 C ATOM 433 O LYS A 30 -1.214 6.552 -4.518 1.00 64.44 O ATOM 434 CB LYS A 30 -0.703 9.531 -6.116 1.00 61.24 C ATOM 435 CG LYS A 30 0.290 10.610 -6.535 1.00 61.21 C ATOM 436 CD LYS A 30 -0.086 11.261 -7.858 1.00 72.22 C ATOM 437 CE LYS A 30 -1.416 12.000 -7.786 1.00 33.43 C ATOM 438 NZ LYS A 30 -1.728 12.700 -9.061 1.00 12.41 N ATOM 0 H LYS A 30 1.211 7.950 -6.201 1.00 60.52 H new ATOM 0 HA LYS A 30 -0.033 9.416 -4.071 1.00 54.10 H new ATOM 0 HB2 LYS A 30 -0.863 8.849 -6.951 1.00 61.24 H new ATOM 0 HB3 LYS A 30 -1.664 9.996 -5.896 1.00 61.24 H new ATOM 0 HG2 LYS A 30 0.342 11.374 -5.759 1.00 61.21 H new ATOM 0 HG3 LYS A 30 1.285 10.172 -6.618 1.00 61.21 H new ATOM 0 HD2 LYS A 30 0.698 11.958 -8.152 1.00 72.22 H new ATOM 0 HD3 LYS A 30 -0.140 10.497 -8.633 1.00 72.22 H new ATOM 0 HE2 LYS A 30 -2.213 11.293 -7.555 1.00 33.43 H new ATOM 0 HE3 LYS A 30 -1.386 12.724 -6.972 1.00 33.43 H new ATOM 0 HZ1 LYS A 30 -2.640 13.191 -8.973 1.00 12.41 H new ATOM 0 HZ2 LYS A 30 -0.980 13.393 -9.269 1.00 12.41 H new ATOM 0 HZ3 LYS A 30 -1.782 12.006 -9.834 1.00 12.41 H new ATOM 452 N VAL A 31 -2.443 8.346 -3.929 1.00 72.04 N ATOM 453 CA VAL A 31 -3.544 7.566 -3.350 1.00 23.23 C ATOM 454 C VAL A 31 -4.040 6.471 -4.316 1.00 13.02 C ATOM 455 O VAL A 31 -4.205 5.314 -3.928 1.00 53.13 O ATOM 456 CB VAL A 31 -4.726 8.491 -2.960 1.00 20.53 C ATOM 457 CG1 VAL A 31 -5.843 7.704 -2.276 1.00 51.30 C ATOM 458 CG2 VAL A 31 -4.244 9.635 -2.065 1.00 52.03 C ATOM 0 H VAL A 31 -2.597 9.354 -3.919 1.00 72.04 H new ATOM 0 HA VAL A 31 -3.155 7.080 -2.455 1.00 23.23 H new ATOM 0 HB VAL A 31 -5.132 8.918 -3.877 1.00 20.53 H new ATOM 0 HG11 VAL A 31 -6.657 8.380 -2.015 1.00 51.30 H new ATOM 0 HG12 VAL A 31 -6.213 6.935 -2.953 1.00 51.30 H new ATOM 0 HG13 VAL A 31 -5.456 7.235 -1.371 1.00 51.30 H new ATOM 0 HG21 VAL A 31 -5.088 10.272 -1.803 1.00 52.03 H new ATOM 0 HG22 VAL A 31 -3.803 9.225 -1.156 1.00 52.03 H new ATOM 0 HG23 VAL A 31 -3.497 10.224 -2.598 1.00 52.03 H new ATOM 468 N ALA A 32 -4.250 6.841 -5.577 1.00 32.51 N ATOM 469 CA ALA A 32 -4.711 5.897 -6.604 1.00 13.14 C ATOM 470 C ALA A 32 -3.712 4.750 -6.824 1.00 33.32 C ATOM 471 O ALA A 32 -4.106 3.593 -6.990 1.00 62.53 O ATOM 472 CB ALA A 32 -4.961 6.632 -7.913 1.00 64.10 C ATOM 0 H ALA A 32 -4.109 7.792 -5.918 1.00 32.51 H new ATOM 0 HA ALA A 32 -5.642 5.455 -6.250 1.00 13.14 H new ATOM 0 HB1 ALA A 32 -5.302 5.924 -8.668 1.00 64.10 H new ATOM 0 HB2 ALA A 32 -5.723 7.396 -7.761 1.00 64.10 H new ATOM 0 HB3 ALA A 32 -4.037 7.103 -8.248 1.00 64.10 H new ATOM 478 N GLU A 33 -2.422 5.081 -6.823 1.00 34.23 N ATOM 479 CA GLU A 33 -1.360 4.085 -7.009 1.00 14.43 C ATOM 480 C GLU A 33 -1.341 3.073 -5.852 1.00 22.11 C ATOM 481 O GLU A 33 -1.265 1.863 -6.069 1.00 43.11 O ATOM 482 CB GLU A 33 0.003 4.787 -7.127 1.00 24.02 C ATOM 483 CG GLU A 33 0.139 5.668 -8.369 1.00 41.43 C ATOM 484 CD GLU A 33 1.426 6.488 -8.390 1.00 52.03 C ATOM 485 OE1 GLU A 33 2.494 5.932 -8.717 1.00 2.05 O ATOM 486 OE2 GLU A 33 1.370 7.697 -8.078 1.00 73.15 O ATOM 0 H GLU A 33 -2.083 6.034 -6.695 1.00 34.23 H new ATOM 0 HA GLU A 33 -1.561 3.538 -7.930 1.00 14.43 H new ATOM 0 HB2 GLU A 33 0.164 5.399 -6.240 1.00 24.02 H new ATOM 0 HB3 GLU A 33 0.790 4.033 -7.140 1.00 24.02 H new ATOM 0 HG2 GLU A 33 0.103 5.038 -9.258 1.00 41.43 H new ATOM 0 HG3 GLU A 33 -0.715 6.343 -8.422 1.00 41.43 H new ATOM 493 N LEU A 34 -1.418 3.583 -4.625 1.00 41.14 N ATOM 494 CA LEU A 34 -1.450 2.731 -3.428 1.00 43.02 C ATOM 495 C LEU A 34 -2.709 1.847 -3.394 1.00 25.32 C ATOM 496 O LEU A 34 -2.623 0.639 -3.175 1.00 55.31 O ATOM 497 CB LEU A 34 -1.383 3.603 -2.170 1.00 63.31 C ATOM 498 CG LEU A 34 -0.104 4.446 -2.026 1.00 30.11 C ATOM 499 CD1 LEU A 34 -0.196 5.375 -0.820 1.00 52.20 C ATOM 500 CD2 LEU A 34 1.123 3.545 -1.914 1.00 41.33 C ATOM 0 H LEU A 34 -1.460 4.583 -4.428 1.00 41.14 H new ATOM 0 HA LEU A 34 -0.584 2.070 -3.461 1.00 43.02 H new ATOM 0 HB2 LEU A 34 -2.243 4.273 -2.165 1.00 63.31 H new ATOM 0 HB3 LEU A 34 -1.475 2.959 -1.295 1.00 63.31 H new ATOM 0 HG LEU A 34 -0.002 5.060 -2.921 1.00 30.11 H new ATOM 0 HD11 LEU A 34 0.720 5.960 -0.740 1.00 52.20 H new ATOM 0 HD12 LEU A 34 -1.046 6.047 -0.942 1.00 52.20 H new ATOM 0 HD13 LEU A 34 -0.329 4.783 0.086 1.00 52.20 H new ATOM 0 HD21 LEU A 34 2.018 4.159 -1.813 1.00 41.33 H new ATOM 0 HD22 LEU A 34 1.024 2.902 -1.039 1.00 41.33 H new ATOM 0 HD23 LEU A 34 1.205 2.929 -2.810 1.00 41.33 H new ATOM 512 N LYS A 35 -3.876 2.459 -3.609 1.00 31.11 N ATOM 513 CA LYS A 35 -5.146 1.720 -3.706 1.00 22.12 C ATOM 514 C LYS A 35 -5.051 0.589 -4.739 1.00 4.44 C ATOM 515 O LYS A 35 -5.478 -0.539 -4.491 1.00 51.34 O ATOM 516 CB LYS A 35 -6.286 2.676 -4.094 1.00 71.21 C ATOM 517 CG LYS A 35 -6.652 3.682 -3.005 1.00 1.03 C ATOM 518 CD LYS A 35 -7.519 4.820 -3.546 1.00 21.13 C ATOM 519 CE LYS A 35 -8.821 4.322 -4.165 1.00 52.02 C ATOM 520 NZ LYS A 35 -9.617 5.438 -4.741 1.00 35.42 N ATOM 0 H LYS A 35 -3.972 3.468 -3.720 1.00 31.11 H new ATOM 0 HA LYS A 35 -5.354 1.281 -2.730 1.00 22.12 H new ATOM 0 HB2 LYS A 35 -6.000 3.219 -4.995 1.00 71.21 H new ATOM 0 HB3 LYS A 35 -7.170 2.089 -4.343 1.00 71.21 H new ATOM 0 HG2 LYS A 35 -7.184 3.171 -2.203 1.00 1.03 H new ATOM 0 HG3 LYS A 35 -5.741 4.095 -2.571 1.00 1.03 H new ATOM 0 HD2 LYS A 35 -7.748 5.514 -2.737 1.00 21.13 H new ATOM 0 HD3 LYS A 35 -6.955 5.377 -4.294 1.00 21.13 H new ATOM 0 HE2 LYS A 35 -8.598 3.593 -4.945 1.00 52.02 H new ATOM 0 HE3 LYS A 35 -9.411 3.807 -3.407 1.00 52.02 H new ATOM 0 HZ1 LYS A 35 -10.495 5.062 -5.153 1.00 35.42 H new ATOM 0 HZ2 LYS A 35 -9.851 6.121 -3.992 1.00 35.42 H new ATOM 0 HZ3 LYS A 35 -9.063 5.913 -5.482 1.00 35.42 H new ATOM 534 N GLN A 36 -4.478 0.909 -5.895 1.00 5.42 N ATOM 535 CA GLN A 36 -4.265 -0.070 -6.962 1.00 65.35 C ATOM 536 C GLN A 36 -3.414 -1.251 -6.455 1.00 41.10 C ATOM 537 O GLN A 36 -3.786 -2.412 -6.621 1.00 14.42 O ATOM 538 CB GLN A 36 -3.602 0.639 -8.165 1.00 14.13 C ATOM 539 CG GLN A 36 -3.405 -0.218 -9.421 1.00 65.03 C ATOM 540 CD GLN A 36 -2.221 -1.179 -9.355 1.00 62.52 C ATOM 541 OE1 GLN A 36 -2.247 -2.246 -9.955 1.00 20.04 O ATOM 542 NE2 GLN A 36 -1.168 -0.804 -8.650 1.00 54.50 N ATOM 0 H GLN A 36 -4.149 1.848 -6.120 1.00 5.42 H new ATOM 0 HA GLN A 36 -5.221 -0.484 -7.282 1.00 65.35 H new ATOM 0 HB2 GLN A 36 -4.208 1.505 -8.431 1.00 14.13 H new ATOM 0 HB3 GLN A 36 -2.629 1.016 -7.849 1.00 14.13 H new ATOM 0 HG2 GLN A 36 -4.314 -0.793 -9.599 1.00 65.03 H new ATOM 0 HG3 GLN A 36 -3.273 0.442 -10.278 1.00 65.03 H new ATOM 0 HE21 GLN A 36 -1.174 0.091 -8.160 1.00 54.50 H new ATOM 0 HE22 GLN A 36 -0.349 -1.409 -8.596 1.00 54.50 H new ATOM 551 N GLU A 37 -2.290 -0.940 -5.812 1.00 63.53 N ATOM 552 CA GLU A 37 -1.396 -1.964 -5.251 1.00 44.22 C ATOM 553 C GLU A 37 -2.083 -2.798 -4.156 1.00 11.44 C ATOM 554 O GLU A 37 -1.820 -3.994 -4.013 1.00 73.05 O ATOM 555 CB GLU A 37 -0.129 -1.303 -4.689 1.00 21.24 C ATOM 556 CG GLU A 37 0.856 -0.843 -5.759 1.00 43.54 C ATOM 557 CD GLU A 37 1.466 -2.010 -6.526 1.00 13.24 C ATOM 558 OE1 GLU A 37 2.208 -2.801 -5.905 1.00 54.40 O ATOM 559 OE2 GLU A 37 1.219 -2.140 -7.744 1.00 4.25 O ATOM 0 H GLU A 37 -1.971 0.017 -5.664 1.00 63.53 H new ATOM 0 HA GLU A 37 -1.129 -2.644 -6.060 1.00 44.22 H new ATOM 0 HB2 GLU A 37 -0.418 -0.445 -4.082 1.00 21.24 H new ATOM 0 HB3 GLU A 37 0.373 -2.008 -4.026 1.00 21.24 H new ATOM 0 HG2 GLU A 37 0.346 -0.179 -6.457 1.00 43.54 H new ATOM 0 HG3 GLU A 37 1.652 -0.263 -5.291 1.00 43.54 H new ATOM 566 N LEU A 38 -2.949 -2.165 -3.377 1.00 23.23 N ATOM 567 CA LEU A 38 -3.698 -2.863 -2.331 1.00 32.34 C ATOM 568 C LEU A 38 -4.688 -3.876 -2.925 1.00 45.10 C ATOM 569 O LEU A 38 -4.659 -5.063 -2.589 1.00 52.52 O ATOM 570 CB LEU A 38 -4.460 -1.855 -1.459 1.00 54.50 C ATOM 571 CG LEU A 38 -3.592 -0.950 -0.569 1.00 63.41 C ATOM 572 CD1 LEU A 38 -4.453 0.097 0.129 1.00 32.14 C ATOM 573 CD2 LEU A 38 -2.813 -1.771 0.456 1.00 31.43 C ATOM 0 H LEU A 38 -3.153 -1.168 -3.447 1.00 23.23 H new ATOM 0 HA LEU A 38 -2.977 -3.406 -1.720 1.00 32.34 H new ATOM 0 HB2 LEU A 38 -5.062 -1.222 -2.111 1.00 54.50 H new ATOM 0 HB3 LEU A 38 -5.151 -2.405 -0.821 1.00 54.50 H new ATOM 0 HG LEU A 38 -2.872 -0.439 -1.209 1.00 63.41 H new ATOM 0 HD11 LEU A 38 -3.822 0.729 0.755 1.00 32.14 H new ATOM 0 HD12 LEU A 38 -4.955 0.712 -0.618 1.00 32.14 H new ATOM 0 HD13 LEU A 38 -5.198 -0.400 0.750 1.00 32.14 H new ATOM 0 HD21 LEU A 38 -2.208 -1.105 1.071 1.00 31.43 H new ATOM 0 HD22 LEU A 38 -3.511 -2.318 1.090 1.00 31.43 H new ATOM 0 HD23 LEU A 38 -2.163 -2.477 -0.061 1.00 31.43 H new ATOM 585 N LYS A 39 -5.549 -3.401 -3.821 1.00 21.00 N ATOM 586 CA LYS A 39 -6.624 -4.232 -4.370 1.00 34.12 C ATOM 587 C LYS A 39 -6.085 -5.425 -5.183 1.00 31.34 C ATOM 588 O LYS A 39 -6.766 -6.444 -5.322 1.00 60.14 O ATOM 589 CB LYS A 39 -7.584 -3.373 -5.210 1.00 3.20 C ATOM 590 CG LYS A 39 -6.994 -2.831 -6.509 1.00 21.11 C ATOM 591 CD LYS A 39 -7.917 -1.793 -7.149 1.00 4.14 C ATOM 592 CE LYS A 39 -9.322 -2.347 -7.378 1.00 50.01 C ATOM 593 NZ LYS A 39 -10.280 -1.293 -7.804 1.00 44.11 N ATOM 0 H LYS A 39 -5.526 -2.448 -4.183 1.00 21.00 H new ATOM 0 HA LYS A 39 -7.176 -4.654 -3.530 1.00 34.12 H new ATOM 0 HB2 LYS A 39 -8.465 -3.968 -5.449 1.00 3.20 H new ATOM 0 HB3 LYS A 39 -7.922 -2.533 -4.603 1.00 3.20 H new ATOM 0 HG2 LYS A 39 -6.021 -2.382 -6.309 1.00 21.11 H new ATOM 0 HG3 LYS A 39 -6.828 -3.652 -7.206 1.00 21.11 H new ATOM 0 HD2 LYS A 39 -7.973 -0.913 -6.509 1.00 4.14 H new ATOM 0 HD3 LYS A 39 -7.495 -1.469 -8.100 1.00 4.14 H new ATOM 0 HE2 LYS A 39 -9.283 -3.128 -8.137 1.00 50.01 H new ATOM 0 HE3 LYS A 39 -9.681 -2.812 -6.460 1.00 50.01 H new ATOM 0 HZ1 LYS A 39 -11.220 -1.715 -7.947 1.00 44.11 H new ATOM 0 HZ2 LYS A 39 -10.339 -0.560 -7.069 1.00 44.11 H new ATOM 0 HZ3 LYS A 39 -9.953 -0.866 -8.694 1.00 44.11 H new ATOM 607 N LEU A 40 -4.861 -5.308 -5.706 1.00 75.11 N ATOM 608 CA LEU A 40 -4.193 -6.443 -6.364 1.00 53.13 C ATOM 609 C LEU A 40 -4.061 -7.636 -5.405 1.00 2.32 C ATOM 610 O LEU A 40 -4.213 -8.794 -5.796 1.00 3.32 O ATOM 611 CB LEU A 40 -2.790 -6.048 -6.849 1.00 73.33 C ATOM 612 CG LEU A 40 -2.731 -5.000 -7.965 1.00 32.14 C ATOM 613 CD1 LEU A 40 -1.283 -4.721 -8.357 1.00 24.15 C ATOM 614 CD2 LEU A 40 -3.533 -5.458 -9.178 1.00 53.42 C ATOM 0 H LEU A 40 -4.313 -4.448 -5.689 1.00 75.11 H new ATOM 0 HA LEU A 40 -4.809 -6.727 -7.217 1.00 53.13 H new ATOM 0 HB2 LEU A 40 -2.226 -5.672 -5.996 1.00 73.33 H new ATOM 0 HB3 LEU A 40 -2.282 -6.947 -7.196 1.00 73.33 H new ATOM 0 HG LEU A 40 -3.174 -4.077 -7.592 1.00 32.14 H new ATOM 0 HD11 LEU A 40 -1.258 -3.974 -9.151 1.00 24.15 H new ATOM 0 HD12 LEU A 40 -0.737 -4.348 -7.491 1.00 24.15 H new ATOM 0 HD13 LEU A 40 -0.818 -5.641 -8.710 1.00 24.15 H new ATOM 0 HD21 LEU A 40 -3.478 -4.699 -9.958 1.00 53.42 H new ATOM 0 HD22 LEU A 40 -3.122 -6.395 -9.553 1.00 53.42 H new ATOM 0 HD23 LEU A 40 -4.574 -5.608 -8.891 1.00 53.42 H new ATOM 626 N ARG A 41 -3.774 -7.328 -4.144 1.00 50.43 N ATOM 627 CA ARG A 41 -3.525 -8.344 -3.117 1.00 51.31 C ATOM 628 C ARG A 41 -4.680 -8.424 -2.103 1.00 73.13 C ATOM 629 O ARG A 41 -4.497 -8.858 -0.966 1.00 24.24 O ATOM 630 CB ARG A 41 -2.188 -8.027 -2.425 1.00 13.02 C ATOM 631 CG ARG A 41 -0.979 -8.245 -3.340 1.00 24.13 C ATOM 632 CD ARG A 41 0.301 -7.616 -2.792 1.00 23.33 C ATOM 633 NE ARG A 41 0.306 -6.157 -2.917 1.00 21.15 N ATOM 634 CZ ARG A 41 0.976 -5.505 -3.834 1.00 33.14 C ATOM 635 NH1 ARG A 41 1.600 -6.140 -4.776 1.00 61.34 N ATOM 636 NH2 ARG A 41 0.984 -4.215 -3.837 1.00 52.34 N ATOM 0 H ARG A 41 -3.707 -6.370 -3.802 1.00 50.43 H new ATOM 0 HA ARG A 41 -3.466 -9.325 -3.589 1.00 51.31 H new ATOM 0 HB2 ARG A 41 -2.197 -6.992 -2.084 1.00 13.02 H new ATOM 0 HB3 ARG A 41 -2.085 -8.654 -1.539 1.00 13.02 H new ATOM 0 HG2 ARG A 41 -0.822 -9.315 -3.478 1.00 24.13 H new ATOM 0 HG3 ARG A 41 -1.193 -7.825 -4.323 1.00 24.13 H new ATOM 0 HD2 ARG A 41 0.415 -7.888 -1.743 1.00 23.33 H new ATOM 0 HD3 ARG A 41 1.160 -8.026 -3.323 1.00 23.33 H new ATOM 0 HE ARG A 41 -0.245 -5.616 -2.250 1.00 21.15 H new ATOM 0 HH11 ARG A 41 1.573 -7.159 -4.809 1.00 61.34 H new ATOM 0 HH12 ARG A 41 2.118 -5.621 -5.484 1.00 61.34 H new ATOM 0 HH21 ARG A 41 0.468 -3.700 -3.124 1.00 52.34 H new ATOM 0 HH22 ARG A 41 1.507 -3.710 -4.553 1.00 52.34 H new ATOM 650 N SER A 42 -5.877 -8.018 -2.543 1.00 2.00 N ATOM 651 CA SER A 42 -7.111 -8.116 -1.732 1.00 53.41 C ATOM 652 C SER A 42 -7.073 -7.230 -0.477 1.00 1.43 C ATOM 653 O SER A 42 -7.889 -7.401 0.432 1.00 23.13 O ATOM 654 CB SER A 42 -7.386 -9.575 -1.325 1.00 52.02 C ATOM 655 OG SER A 42 -7.507 -10.420 -2.461 1.00 50.05 O ATOM 0 H SER A 42 -6.024 -7.613 -3.467 1.00 2.00 H new ATOM 0 HA SER A 42 -7.920 -7.753 -2.366 1.00 53.41 H new ATOM 0 HB2 SER A 42 -6.578 -9.934 -0.688 1.00 52.02 H new ATOM 0 HB3 SER A 42 -8.302 -9.623 -0.736 1.00 52.02 H new ATOM 0 HG SER A 42 -7.679 -11.339 -2.168 1.00 50.05 H new ATOM 661 N LEU A 43 -6.145 -6.280 -0.435 1.00 52.13 N ATOM 662 CA LEU A 43 -6.025 -5.359 0.701 1.00 2.55 C ATOM 663 C LEU A 43 -7.069 -4.230 0.616 1.00 72.31 C ATOM 664 O LEU A 43 -7.340 -3.715 -0.470 1.00 74.30 O ATOM 665 CB LEU A 43 -4.609 -4.768 0.739 1.00 33.40 C ATOM 666 CG LEU A 43 -3.495 -5.759 1.105 1.00 51.42 C ATOM 667 CD1 LEU A 43 -2.120 -5.171 0.797 1.00 63.12 C ATOM 668 CD2 LEU A 43 -3.597 -6.145 2.578 1.00 61.35 C ATOM 0 H LEU A 43 -5.460 -6.123 -1.175 1.00 52.13 H new ATOM 0 HA LEU A 43 -6.211 -5.918 1.618 1.00 2.55 H new ATOM 0 HB2 LEU A 43 -4.385 -4.340 -0.238 1.00 33.40 H new ATOM 0 HB3 LEU A 43 -4.594 -3.948 1.457 1.00 33.40 H new ATOM 0 HG LEU A 43 -3.620 -6.656 0.499 1.00 51.42 H new ATOM 0 HD11 LEU A 43 -1.348 -5.892 1.065 1.00 63.12 H new ATOM 0 HD12 LEU A 43 -2.051 -4.944 -0.267 1.00 63.12 H new ATOM 0 HD13 LEU A 43 -1.978 -4.256 1.373 1.00 63.12 H new ATOM 0 HD21 LEU A 43 -2.802 -6.848 2.826 1.00 61.35 H new ATOM 0 HD22 LEU A 43 -3.498 -5.252 3.196 1.00 61.35 H new ATOM 0 HD23 LEU A 43 -4.565 -6.610 2.766 1.00 61.35 H new ATOM 680 N PRO A 44 -7.668 -3.828 1.759 1.00 71.11 N ATOM 681 CA PRO A 44 -8.697 -2.774 1.778 1.00 22.21 C ATOM 682 C PRO A 44 -8.136 -1.398 1.380 1.00 62.31 C ATOM 683 O PRO A 44 -7.162 -0.912 1.963 1.00 61.00 O ATOM 684 CB PRO A 44 -9.186 -2.768 3.236 1.00 73.20 C ATOM 685 CG PRO A 44 -8.051 -3.338 4.015 1.00 43.43 C ATOM 686 CD PRO A 44 -7.395 -4.354 3.112 1.00 41.31 C ATOM 0 HA PRO A 44 -9.491 -2.969 1.057 1.00 22.21 H new ATOM 0 HB2 PRO A 44 -9.428 -1.759 3.569 1.00 73.20 H new ATOM 0 HB3 PRO A 44 -10.089 -3.368 3.354 1.00 73.20 H new ATOM 0 HG2 PRO A 44 -7.345 -2.559 4.303 1.00 43.43 H new ATOM 0 HG3 PRO A 44 -8.404 -3.804 4.935 1.00 43.43 H new ATOM 0 HD2 PRO A 44 -6.325 -4.433 3.305 1.00 41.31 H new ATOM 0 HD3 PRO A 44 -7.818 -5.349 3.250 1.00 41.31 H new ATOM 694 N VAL A 45 -8.765 -0.773 0.389 1.00 62.23 N ATOM 695 CA VAL A 45 -8.310 0.519 -0.137 1.00 61.44 C ATOM 696 C VAL A 45 -9.031 1.696 0.540 1.00 65.43 C ATOM 697 O VAL A 45 -8.681 2.862 0.334 1.00 54.13 O ATOM 698 CB VAL A 45 -8.537 0.595 -1.665 1.00 42.24 C ATOM 699 CG1 VAL A 45 -7.829 -0.556 -2.375 1.00 73.11 C ATOM 700 CG2 VAL A 45 -10.028 0.595 -1.990 1.00 10.25 C ATOM 0 H VAL A 45 -9.598 -1.140 -0.072 1.00 62.23 H new ATOM 0 HA VAL A 45 -7.245 0.595 0.081 1.00 61.44 H new ATOM 0 HB VAL A 45 -8.110 1.531 -2.026 1.00 42.24 H new ATOM 0 HG11 VAL A 45 -8.002 -0.483 -3.449 1.00 73.11 H new ATOM 0 HG12 VAL A 45 -6.759 -0.503 -2.176 1.00 73.11 H new ATOM 0 HG13 VAL A 45 -8.220 -1.505 -2.008 1.00 73.11 H new ATOM 0 HG21 VAL A 45 -10.165 0.649 -3.070 1.00 10.25 H new ATOM 0 HG22 VAL A 45 -10.483 -0.321 -1.612 1.00 10.25 H new ATOM 0 HG23 VAL A 45 -10.503 1.457 -1.521 1.00 10.25 H new ATOM 710 N SER A 46 -10.043 1.382 1.342 1.00 44.33 N ATOM 711 CA SER A 46 -10.854 2.407 2.014 1.00 22.01 C ATOM 712 C SER A 46 -10.124 3.017 3.219 1.00 1.31 C ATOM 713 O SER A 46 -10.412 2.688 4.372 1.00 34.14 O ATOM 714 CB SER A 46 -12.200 1.813 2.459 1.00 12.21 C ATOM 715 OG SER A 46 -12.906 1.254 1.358 1.00 60.52 O ATOM 0 H SER A 46 -10.327 0.424 1.547 1.00 44.33 H new ATOM 0 HA SER A 46 -11.031 3.207 1.295 1.00 22.01 H new ATOM 0 HB2 SER A 46 -12.030 1.044 3.213 1.00 12.21 H new ATOM 0 HB3 SER A 46 -12.806 2.589 2.926 1.00 12.21 H new ATOM 0 HG SER A 46 -13.757 0.882 1.670 1.00 60.52 H new ATOM 721 N GLY A 47 -9.146 3.873 2.944 1.00 31.43 N ATOM 722 CA GLY A 47 -8.435 4.579 4.006 1.00 71.54 C ATOM 723 C GLY A 47 -7.585 5.732 3.486 1.00 11.34 C ATOM 724 O GLY A 47 -7.505 5.956 2.276 1.00 34.15 O ATOM 0 H GLY A 47 -8.828 4.095 2.001 1.00 31.43 H new ATOM 0 HA2 GLY A 47 -9.157 4.963 4.727 1.00 71.54 H new ATOM 0 HA3 GLY A 47 -7.796 3.875 4.539 1.00 71.54 H new ATOM 728 N THR A 48 -6.946 6.468 4.395 1.00 13.33 N ATOM 729 CA THR A 48 -6.083 7.595 4.008 1.00 35.02 C ATOM 730 C THR A 48 -4.784 7.096 3.370 1.00 24.14 C ATOM 731 O THR A 48 -4.381 5.952 3.591 1.00 73.52 O ATOM 732 CB THR A 48 -5.701 8.475 5.221 1.00 4.03 C ATOM 733 OG1 THR A 48 -4.808 7.757 6.087 1.00 14.13 O ATOM 734 CG2 THR A 48 -6.939 8.907 6.001 1.00 24.24 C ATOM 0 H THR A 48 -7.006 6.309 5.401 1.00 13.33 H new ATOM 0 HA THR A 48 -6.658 8.186 3.295 1.00 35.02 H new ATOM 0 HB THR A 48 -5.204 9.369 4.846 1.00 4.03 H new ATOM 0 HG1 THR A 48 -4.569 8.322 6.852 1.00 14.13 H new ATOM 0 HG21 THR A 48 -6.639 9.524 6.848 1.00 24.24 H new ATOM 0 HG22 THR A 48 -7.598 9.481 5.349 1.00 24.24 H new ATOM 0 HG23 THR A 48 -7.466 8.025 6.364 1.00 24.24 H new ATOM 742 N LYS A 49 -4.116 7.958 2.598 1.00 53.45 N ATOM 743 CA LYS A 49 -2.819 7.614 1.996 1.00 62.02 C ATOM 744 C LYS A 49 -1.867 7.019 3.047 1.00 51.01 C ATOM 745 O LYS A 49 -1.090 6.104 2.760 1.00 73.20 O ATOM 746 CB LYS A 49 -2.181 8.855 1.355 1.00 10.04 C ATOM 747 CG LYS A 49 -0.865 8.567 0.638 1.00 40.11 C ATOM 748 CD LYS A 49 -0.220 9.833 0.082 1.00 43.42 C ATOM 749 CE LYS A 49 1.083 9.531 -0.650 1.00 13.45 C ATOM 750 NZ LYS A 49 1.752 10.768 -1.123 1.00 23.31 N ATOM 0 H LYS A 49 -4.448 8.896 2.374 1.00 53.45 H new ATOM 0 HA LYS A 49 -2.994 6.865 1.224 1.00 62.02 H new ATOM 0 HB2 LYS A 49 -2.885 9.288 0.644 1.00 10.04 H new ATOM 0 HB3 LYS A 49 -2.007 9.604 2.128 1.00 10.04 H new ATOM 0 HG2 LYS A 49 -0.175 8.084 1.330 1.00 40.11 H new ATOM 0 HG3 LYS A 49 -1.043 7.865 -0.176 1.00 40.11 H new ATOM 0 HD2 LYS A 49 -0.914 10.325 -0.599 1.00 43.42 H new ATOM 0 HD3 LYS A 49 -0.026 10.530 0.897 1.00 43.42 H new ATOM 0 HE2 LYS A 49 1.754 8.986 0.014 1.00 13.45 H new ATOM 0 HE3 LYS A 49 0.879 8.881 -1.501 1.00 13.45 H new ATOM 0 HZ1 LYS A 49 2.783 10.657 -1.044 1.00 23.31 H new ATOM 0 HZ2 LYS A 49 1.497 10.942 -2.116 1.00 23.31 H new ATOM 0 HZ3 LYS A 49 1.445 11.573 -0.540 1.00 23.31 H new ATOM 764 N THR A 50 -1.956 7.541 4.269 1.00 62.33 N ATOM 765 CA THR A 50 -1.174 7.032 5.401 1.00 53.24 C ATOM 766 C THR A 50 -1.462 5.545 5.643 1.00 0.24 C ATOM 767 O THR A 50 -0.547 4.719 5.672 1.00 13.22 O ATOM 768 CB THR A 50 -1.495 7.815 6.699 1.00 64.53 C ATOM 769 OG1 THR A 50 -1.483 9.230 6.441 1.00 5.43 O ATOM 770 CG2 THR A 50 -0.496 7.485 7.806 1.00 64.44 C ATOM 0 H THR A 50 -2.567 8.323 4.504 1.00 62.33 H new ATOM 0 HA THR A 50 -0.122 7.165 5.147 1.00 53.24 H new ATOM 0 HB THR A 50 -2.488 7.515 7.033 1.00 64.53 H new ATOM 0 HG1 THR A 50 -1.689 9.715 7.267 1.00 5.43 H new ATOM 0 HG21 THR A 50 -0.748 8.050 8.704 1.00 64.44 H new ATOM 0 HG22 THR A 50 -0.536 6.418 8.026 1.00 64.44 H new ATOM 0 HG23 THR A 50 0.509 7.751 7.480 1.00 64.44 H new ATOM 778 N GLU A 51 -2.748 5.213 5.798 1.00 64.21 N ATOM 779 CA GLU A 51 -3.180 3.825 6.005 1.00 64.11 C ATOM 780 C GLU A 51 -2.738 2.917 4.852 1.00 32.53 C ATOM 781 O GLU A 51 -2.324 1.781 5.068 1.00 14.51 O ATOM 782 CB GLU A 51 -4.706 3.757 6.151 1.00 62.05 C ATOM 783 CG GLU A 51 -5.237 4.452 7.399 1.00 10.34 C ATOM 784 CD GLU A 51 -6.754 4.492 7.446 1.00 3.11 C ATOM 785 OE1 GLU A 51 -7.378 3.452 7.753 1.00 32.04 O ATOM 786 OE2 GLU A 51 -7.333 5.561 7.171 1.00 52.43 O ATOM 0 H GLU A 51 -3.511 5.889 5.784 1.00 64.21 H new ATOM 0 HA GLU A 51 -2.707 3.471 6.921 1.00 64.11 H new ATOM 0 HB2 GLU A 51 -5.166 4.208 5.272 1.00 62.05 H new ATOM 0 HB3 GLU A 51 -5.013 2.711 6.170 1.00 62.05 H new ATOM 0 HG2 GLU A 51 -4.864 3.936 8.284 1.00 10.34 H new ATOM 0 HG3 GLU A 51 -4.849 5.470 7.436 1.00 10.34 H new ATOM 793 N LEU A 52 -2.837 3.429 3.626 1.00 14.43 N ATOM 794 CA LEU A 52 -2.452 2.668 2.432 1.00 33.40 C ATOM 795 C LEU A 52 -0.961 2.279 2.478 1.00 51.03 C ATOM 796 O LEU A 52 -0.586 1.144 2.162 1.00 33.23 O ATOM 797 CB LEU A 52 -2.741 3.486 1.161 1.00 34.31 C ATOM 798 CG LEU A 52 -4.129 4.155 1.093 1.00 61.42 C ATOM 799 CD1 LEU A 52 -4.326 4.867 -0.246 1.00 33.34 C ATOM 800 CD2 LEU A 52 -5.249 3.147 1.338 1.00 62.31 C ATOM 0 H LEU A 52 -3.181 4.369 3.430 1.00 14.43 H new ATOM 0 HA LEU A 52 -3.045 1.753 2.412 1.00 33.40 H new ATOM 0 HB2 LEU A 52 -1.980 4.261 1.070 1.00 34.31 H new ATOM 0 HB3 LEU A 52 -2.632 2.830 0.297 1.00 34.31 H new ATOM 0 HG LEU A 52 -4.173 4.900 1.888 1.00 61.42 H new ATOM 0 HD11 LEU A 52 -5.312 5.331 -0.270 1.00 33.34 H new ATOM 0 HD12 LEU A 52 -3.561 5.634 -0.366 1.00 33.34 H new ATOM 0 HD13 LEU A 52 -4.245 4.144 -1.058 1.00 33.34 H new ATOM 0 HD21 LEU A 52 -6.213 3.653 1.283 1.00 62.31 H new ATOM 0 HD22 LEU A 52 -5.206 2.364 0.581 1.00 62.31 H new ATOM 0 HD23 LEU A 52 -5.129 2.703 2.326 1.00 62.31 H new ATOM 812 N ILE A 53 -0.116 3.232 2.879 1.00 35.00 N ATOM 813 CA ILE A 53 1.328 2.987 3.033 1.00 0.53 C ATOM 814 C ILE A 53 1.608 1.979 4.160 1.00 21.10 C ATOM 815 O ILE A 53 2.316 0.988 3.960 1.00 21.31 O ATOM 816 CB ILE A 53 2.094 4.304 3.329 1.00 5.34 C ATOM 817 CG1 ILE A 53 1.905 5.301 2.175 1.00 65.45 C ATOM 818 CG2 ILE A 53 3.583 4.030 3.570 1.00 51.23 C ATOM 819 CD1 ILE A 53 2.536 6.657 2.421 1.00 2.14 C ATOM 0 H ILE A 53 -0.404 4.184 3.104 1.00 35.00 H new ATOM 0 HA ILE A 53 1.680 2.572 2.088 1.00 0.53 H new ATOM 0 HB ILE A 53 1.683 4.743 4.238 1.00 5.34 H new ATOM 0 HG12 ILE A 53 2.329 4.874 1.266 1.00 65.45 H new ATOM 0 HG13 ILE A 53 0.838 5.435 1.996 1.00 65.45 H new ATOM 0 HG21 ILE A 53 4.097 4.969 3.775 1.00 51.23 H new ATOM 0 HG22 ILE A 53 3.696 3.360 4.423 1.00 51.23 H new ATOM 0 HG23 ILE A 53 4.016 3.566 2.684 1.00 51.23 H new ATOM 0 HD11 ILE A 53 2.358 7.302 1.561 1.00 2.14 H new ATOM 0 HD12 ILE A 53 2.095 7.108 3.310 1.00 2.14 H new ATOM 0 HD13 ILE A 53 3.609 6.537 2.569 1.00 2.14 H new ATOM 831 N GLU A 54 1.046 2.244 5.343 1.00 40.05 N ATOM 832 CA GLU A 54 1.210 1.355 6.504 1.00 65.31 C ATOM 833 C GLU A 54 0.759 -0.073 6.173 1.00 54.42 C ATOM 834 O GLU A 54 1.418 -1.049 6.531 1.00 53.21 O ATOM 835 CB GLU A 54 0.402 1.874 7.707 1.00 51.24 C ATOM 836 CG GLU A 54 0.766 3.288 8.148 1.00 63.14 C ATOM 837 CD GLU A 54 -0.004 3.727 9.387 1.00 30.11 C ATOM 838 OE1 GLU A 54 -1.216 4.020 9.275 1.00 10.53 O ATOM 839 OE2 GLU A 54 0.594 3.769 10.485 1.00 45.31 O ATOM 0 H GLU A 54 0.472 3.067 5.525 1.00 40.05 H new ATOM 0 HA GLU A 54 2.270 1.343 6.758 1.00 65.31 H new ATOM 0 HB2 GLU A 54 -0.658 1.846 7.456 1.00 51.24 H new ATOM 0 HB3 GLU A 54 0.548 1.195 8.547 1.00 51.24 H new ATOM 0 HG2 GLU A 54 1.836 3.338 8.352 1.00 63.14 H new ATOM 0 HG3 GLU A 54 0.564 3.983 7.333 1.00 63.14 H new ATOM 846 N ARG A 55 -0.367 -0.174 5.473 1.00 44.25 N ATOM 847 CA ARG A 55 -0.971 -1.462 5.124 1.00 54.35 C ATOM 848 C ARG A 55 -0.083 -2.281 4.170 1.00 60.44 C ATOM 849 O ARG A 55 0.090 -3.486 4.352 1.00 31.43 O ATOM 850 CB ARG A 55 -2.349 -1.212 4.508 1.00 74.24 C ATOM 851 CG ARG A 55 -3.169 -2.470 4.243 1.00 75.42 C ATOM 852 CD ARG A 55 -4.650 -2.131 4.123 1.00 44.03 C ATOM 853 NE ARG A 55 -5.162 -1.560 5.370 1.00 62.40 N ATOM 854 CZ ARG A 55 -6.044 -0.602 5.451 1.00 51.13 C ATOM 855 NH1 ARG A 55 -6.583 -0.092 4.391 1.00 3.25 N ATOM 856 NH2 ARG A 55 -6.390 -0.151 6.609 1.00 64.41 N ATOM 0 H ARG A 55 -0.889 0.633 5.130 1.00 44.25 H new ATOM 0 HA ARG A 55 -1.074 -2.054 6.033 1.00 54.35 H new ATOM 0 HB2 ARG A 55 -2.915 -0.559 5.172 1.00 74.24 H new ATOM 0 HB3 ARG A 55 -2.219 -0.675 3.568 1.00 74.24 H new ATOM 0 HG2 ARG A 55 -2.825 -2.948 3.326 1.00 75.42 H new ATOM 0 HG3 ARG A 55 -3.019 -3.185 5.052 1.00 75.42 H new ATOM 0 HD2 ARG A 55 -4.800 -1.424 3.307 1.00 44.03 H new ATOM 0 HD3 ARG A 55 -5.213 -3.030 3.873 1.00 44.03 H new ATOM 0 HE ARG A 55 -4.801 -1.941 6.244 1.00 62.40 H new ATOM 0 HH11 ARG A 55 -6.320 -0.438 3.468 1.00 3.25 H new ATOM 0 HH12 ARG A 55 -7.271 0.656 4.478 1.00 3.25 H new ATOM 0 HH21 ARG A 55 -5.975 -0.543 7.454 1.00 64.41 H new ATOM 0 HH22 ARG A 55 -7.079 0.598 6.680 1.00 64.41 H new ATOM 870 N LEU A 56 0.478 -1.627 3.151 1.00 15.34 N ATOM 871 CA LEU A 56 1.413 -2.293 2.235 1.00 22.10 C ATOM 872 C LEU A 56 2.671 -2.780 2.977 1.00 23.22 C ATOM 873 O LEU A 56 3.088 -3.931 2.818 1.00 4.53 O ATOM 874 CB LEU A 56 1.799 -1.358 1.077 1.00 51.44 C ATOM 875 CG LEU A 56 0.727 -1.183 -0.014 1.00 72.53 C ATOM 876 CD1 LEU A 56 1.150 -0.119 -1.024 1.00 54.41 C ATOM 877 CD2 LEU A 56 0.455 -2.517 -0.720 1.00 74.23 C ATOM 0 H LEU A 56 0.305 -0.645 2.938 1.00 15.34 H new ATOM 0 HA LEU A 56 0.908 -3.166 1.822 1.00 22.10 H new ATOM 0 HB2 LEU A 56 2.038 -0.377 1.488 1.00 51.44 H new ATOM 0 HB3 LEU A 56 2.708 -1.739 0.612 1.00 51.44 H new ATOM 0 HG LEU A 56 -0.195 -0.851 0.464 1.00 72.53 H new ATOM 0 HD11 LEU A 56 0.377 -0.013 -1.785 1.00 54.41 H new ATOM 0 HD12 LEU A 56 1.289 0.833 -0.512 1.00 54.41 H new ATOM 0 HD13 LEU A 56 2.086 -0.417 -1.496 1.00 54.41 H new ATOM 0 HD21 LEU A 56 -0.305 -2.374 -1.488 1.00 74.23 H new ATOM 0 HD22 LEU A 56 1.374 -2.878 -1.182 1.00 74.23 H new ATOM 0 HD23 LEU A 56 0.103 -3.248 0.007 1.00 74.23 H new ATOM 889 N ARG A 57 3.257 -1.907 3.801 1.00 32.44 N ATOM 890 CA ARG A 57 4.423 -2.275 4.618 1.00 40.40 C ATOM 891 C ARG A 57 4.104 -3.469 5.534 1.00 72.22 C ATOM 892 O ARG A 57 4.826 -4.464 5.551 1.00 64.04 O ATOM 893 CB ARG A 57 4.885 -1.084 5.471 1.00 32.22 C ATOM 894 CG ARG A 57 5.428 0.094 4.667 1.00 44.11 C ATOM 895 CD ARG A 57 5.899 1.220 5.587 1.00 61.13 C ATOM 896 NE ARG A 57 6.458 2.357 4.854 1.00 71.34 N ATOM 897 CZ ARG A 57 7.086 3.356 5.423 1.00 44.01 C ATOM 898 NH1 ARG A 57 7.311 3.353 6.697 1.00 64.30 N ATOM 899 NH2 ARG A 57 7.511 4.343 4.708 1.00 71.42 N ATOM 0 H ARG A 57 2.947 -0.943 3.922 1.00 32.44 H new ATOM 0 HA ARG A 57 5.224 -2.561 3.936 1.00 40.40 H new ATOM 0 HB2 ARG A 57 4.047 -0.739 6.076 1.00 32.22 H new ATOM 0 HB3 ARG A 57 5.657 -1.424 6.161 1.00 32.22 H new ATOM 0 HG2 ARG A 57 6.257 -0.240 4.042 1.00 44.11 H new ATOM 0 HG3 ARG A 57 4.654 0.468 3.997 1.00 44.11 H new ATOM 0 HD2 ARG A 57 5.060 1.562 6.194 1.00 61.13 H new ATOM 0 HD3 ARG A 57 6.651 0.831 6.273 1.00 61.13 H new ATOM 0 HE ARG A 57 6.352 2.372 3.840 1.00 71.34 H new ATOM 0 HH11 ARG A 57 6.999 2.568 7.268 1.00 64.30 H new ATOM 0 HH12 ARG A 57 7.801 4.136 7.130 1.00 64.30 H new ATOM 0 HH21 ARG A 57 7.358 4.345 3.700 1.00 71.42 H new ATOM 0 HH22 ARG A 57 8.000 5.121 5.151 1.00 71.42 H new ATOM 913 N ALA A 58 3.004 -3.359 6.282 1.00 63.52 N ATOM 914 CA ALA A 58 2.582 -4.406 7.224 1.00 14.21 C ATOM 915 C ALA A 58 2.288 -5.738 6.520 1.00 70.04 C ATOM 916 O ALA A 58 2.586 -6.811 7.053 1.00 35.44 O ATOM 917 CB ALA A 58 1.357 -3.945 8.003 1.00 61.51 C ATOM 0 H ALA A 58 2.383 -2.550 6.255 1.00 63.52 H new ATOM 0 HA ALA A 58 3.410 -4.578 7.911 1.00 14.21 H new ATOM 0 HB1 ALA A 58 1.052 -4.727 8.698 1.00 61.51 H new ATOM 0 HB2 ALA A 58 1.599 -3.040 8.559 1.00 61.51 H new ATOM 0 HB3 ALA A 58 0.542 -3.738 7.310 1.00 61.51 H new ATOM 923 N TYR A 59 1.693 -5.668 5.327 1.00 13.11 N ATOM 924 CA TYR A 59 1.378 -6.870 4.546 1.00 1.02 C ATOM 925 C TYR A 59 2.653 -7.554 4.024 1.00 34.21 C ATOM 926 O TYR A 59 2.785 -8.777 4.092 1.00 22.22 O ATOM 927 CB TYR A 59 0.453 -6.520 3.372 1.00 44.51 C ATOM 928 CG TYR A 59 -0.017 -7.734 2.587 1.00 22.21 C ATOM 929 CD1 TYR A 59 -0.918 -8.636 3.146 1.00 13.34 C ATOM 930 CD2 TYR A 59 0.443 -7.984 1.298 1.00 0.10 C ATOM 931 CE1 TYR A 59 -1.347 -9.744 2.444 1.00 62.23 C ATOM 932 CE2 TYR A 59 0.015 -9.094 0.592 1.00 55.40 C ATOM 933 CZ TYR A 59 -0.879 -9.969 1.170 1.00 54.11 C ATOM 934 OH TYR A 59 -1.309 -11.075 0.471 1.00 12.32 O ATOM 0 H TYR A 59 1.419 -4.793 4.880 1.00 13.11 H new ATOM 0 HA TYR A 59 0.867 -7.568 5.209 1.00 1.02 H new ATOM 0 HB2 TYR A 59 -0.417 -5.984 3.752 1.00 44.51 H new ATOM 0 HB3 TYR A 59 0.976 -5.841 2.698 1.00 44.51 H new ATOM 0 HD1 TYR A 59 -1.288 -8.466 4.146 1.00 13.34 H new ATOM 0 HD2 TYR A 59 1.145 -7.301 0.842 1.00 0.10 H new ATOM 0 HE1 TYR A 59 -2.048 -10.432 2.893 1.00 62.23 H new ATOM 0 HE2 TYR A 59 0.380 -9.274 -0.408 1.00 55.40 H new ATOM 0 HH TYR A 59 -0.886 -11.088 -0.413 1.00 12.32 H new ATOM 944 N GLN A 60 3.589 -6.765 3.501 1.00 55.21 N ATOM 945 CA GLN A 60 4.870 -7.301 3.023 1.00 63.24 C ATOM 946 C GLN A 60 5.679 -7.868 4.207 1.00 14.53 C ATOM 947 O GLN A 60 6.271 -8.944 4.127 1.00 71.32 O ATOM 948 CB GLN A 60 5.671 -6.191 2.307 1.00 74.11 C ATOM 949 CG GLN A 60 6.499 -6.666 1.107 1.00 21.14 C ATOM 950 CD GLN A 60 7.486 -7.772 1.439 1.00 41.30 C ATOM 951 OE1 GLN A 60 7.171 -8.951 1.339 1.00 12.02 O ATOM 952 NE2 GLN A 60 8.687 -7.404 1.834 1.00 43.45 N ATOM 0 H GLN A 60 3.489 -5.755 3.396 1.00 55.21 H new ATOM 0 HA GLN A 60 4.678 -8.107 2.314 1.00 63.24 H new ATOM 0 HB2 GLN A 60 4.976 -5.422 1.969 1.00 74.11 H new ATOM 0 HB3 GLN A 60 6.340 -5.722 3.029 1.00 74.11 H new ATOM 0 HG2 GLN A 60 5.823 -7.018 0.328 1.00 21.14 H new ATOM 0 HG3 GLN A 60 7.045 -5.817 0.696 1.00 21.14 H new ATOM 0 HE21 GLN A 60 8.919 -6.413 1.907 1.00 43.45 H new ATOM 0 HE22 GLN A 60 9.386 -8.110 2.067 1.00 43.45 H new ATOM 961 N ASP A 61 5.662 -7.134 5.315 1.00 54.35 N ATOM 962 CA ASP A 61 6.395 -7.506 6.526 1.00 53.30 C ATOM 963 C ASP A 61 5.941 -8.870 7.086 1.00 75.34 C ATOM 964 O ASP A 61 6.727 -9.584 7.705 1.00 72.41 O ATOM 965 CB ASP A 61 6.201 -6.406 7.577 1.00 73.32 C ATOM 966 CG ASP A 61 6.980 -6.654 8.854 1.00 13.44 C ATOM 967 OD1 ASP A 61 8.166 -6.264 8.922 1.00 23.55 O ATOM 968 OD2 ASP A 61 6.402 -7.221 9.806 1.00 42.13 O ATOM 0 H ASP A 61 5.139 -6.262 5.401 1.00 54.35 H new ATOM 0 HA ASP A 61 7.451 -7.606 6.273 1.00 53.30 H new ATOM 0 HB2 ASP A 61 6.507 -5.450 7.153 1.00 73.32 H new ATOM 0 HB3 ASP A 61 5.141 -6.324 7.816 1.00 73.32 H new ATOM 973 N GLN A 62 4.671 -9.227 6.871 1.00 44.31 N ATOM 974 CA GLN A 62 4.130 -10.493 7.396 1.00 43.31 C ATOM 975 C GLN A 62 4.234 -11.646 6.377 1.00 65.45 C ATOM 976 O GLN A 62 3.793 -12.765 6.651 1.00 25.12 O ATOM 977 CB GLN A 62 2.672 -10.304 7.849 1.00 53.30 C ATOM 978 CG GLN A 62 1.729 -9.849 6.742 1.00 2.43 C ATOM 979 CD GLN A 62 0.319 -9.584 7.239 1.00 53.43 C ATOM 980 OE1 GLN A 62 -0.537 -10.462 7.225 1.00 61.22 O ATOM 981 NE2 GLN A 62 0.070 -8.372 7.694 1.00 52.33 N ATOM 0 H GLN A 62 4.001 -8.667 6.343 1.00 44.31 H new ATOM 0 HA GLN A 62 4.740 -10.772 8.255 1.00 43.31 H new ATOM 0 HB2 GLN A 62 2.306 -11.245 8.259 1.00 53.30 H new ATOM 0 HB3 GLN A 62 2.646 -9.573 8.657 1.00 53.30 H new ATOM 0 HG2 GLN A 62 2.124 -8.942 6.285 1.00 2.43 H new ATOM 0 HG3 GLN A 62 1.697 -10.611 5.963 1.00 2.43 H new ATOM 0 HE21 GLN A 62 0.805 -7.665 7.691 1.00 52.33 H new ATOM 0 HE22 GLN A 62 -0.858 -8.141 8.049 1.00 52.33 H new ATOM 990 N ILE A 63 4.811 -11.375 5.203 1.00 15.22 N ATOM 991 CA ILE A 63 5.063 -12.423 4.197 1.00 45.13 C ATOM 992 C ILE A 63 6.556 -12.500 3.825 1.00 72.53 C ATOM 993 O ILE A 63 6.974 -13.357 3.045 1.00 55.44 O ATOM 994 CB ILE A 63 4.218 -12.205 2.913 1.00 15.04 C ATOM 995 CG1 ILE A 63 4.594 -10.877 2.233 1.00 40.24 C ATOM 996 CG2 ILE A 63 2.723 -12.245 3.240 1.00 5.10 C ATOM 997 CD1 ILE A 63 3.832 -10.599 0.952 1.00 45.14 C ATOM 0 H ILE A 63 5.114 -10.442 4.922 1.00 15.22 H new ATOM 0 HA ILE A 63 4.764 -13.367 4.652 1.00 45.13 H new ATOM 0 HB ILE A 63 4.436 -13.015 2.217 1.00 15.04 H new ATOM 0 HG12 ILE A 63 4.417 -10.060 2.933 1.00 40.24 H new ATOM 0 HG13 ILE A 63 5.662 -10.883 2.014 1.00 40.24 H new ATOM 0 HG21 ILE A 63 2.147 -12.090 2.328 1.00 5.10 H new ATOM 0 HG22 ILE A 63 2.470 -13.215 3.669 1.00 5.10 H new ATOM 0 HG23 ILE A 63 2.486 -11.458 3.957 1.00 5.10 H new ATOM 0 HD11 ILE A 63 4.156 -9.645 0.536 1.00 45.14 H new ATOM 0 HD12 ILE A 63 4.028 -11.394 0.232 1.00 45.14 H new ATOM 0 HD13 ILE A 63 2.764 -10.558 1.166 1.00 45.14 H new ATOM 1009 N SER A 64 7.353 -11.595 4.395 1.00 1.41 N ATOM 1010 CA SER A 64 8.806 -11.555 4.162 1.00 33.04 C ATOM 1011 C SER A 64 9.583 -11.859 5.454 1.00 22.15 C ATOM 1012 O SER A 64 9.128 -11.525 6.547 1.00 73.33 O ATOM 1013 CB SER A 64 9.213 -10.171 3.636 1.00 51.24 C ATOM 1014 OG SER A 64 10.623 -10.058 3.471 1.00 14.21 O ATOM 0 H SER A 64 7.016 -10.870 5.029 1.00 1.41 H new ATOM 0 HA SER A 64 9.050 -12.318 3.423 1.00 33.04 H new ATOM 0 HB2 SER A 64 8.720 -9.986 2.682 1.00 51.24 H new ATOM 0 HB3 SER A 64 8.866 -9.403 4.328 1.00 51.24 H new ATOM 0 HG SER A 64 10.842 -9.164 3.133 1.00 14.21 H new ATOM 1020 N PRO A 65 10.769 -12.494 5.354 1.00 62.02 N ATOM 1021 CA PRO A 65 11.607 -12.786 6.532 1.00 70.05 C ATOM 1022 C PRO A 65 12.069 -11.513 7.264 1.00 74.01 C ATOM 1023 O PRO A 65 12.421 -10.509 6.634 1.00 3.12 O ATOM 1024 CB PRO A 65 12.810 -13.541 5.940 1.00 53.21 C ATOM 1025 CG PRO A 65 12.826 -13.167 4.495 1.00 51.33 C ATOM 1026 CD PRO A 65 11.387 -12.982 4.106 1.00 33.34 C ATOM 0 HA PRO A 65 11.061 -13.354 7.285 1.00 70.05 H new ATOM 0 HB2 PRO A 65 13.739 -13.253 6.433 1.00 53.21 H new ATOM 0 HB3 PRO A 65 12.702 -14.618 6.068 1.00 53.21 H new ATOM 0 HG2 PRO A 65 13.396 -12.252 4.334 1.00 51.33 H new ATOM 0 HG3 PRO A 65 13.297 -13.945 3.894 1.00 51.33 H new ATOM 0 HD2 PRO A 65 11.277 -12.264 3.293 1.00 33.34 H new ATOM 0 HD3 PRO A 65 10.936 -13.916 3.770 1.00 33.34 H new ATOM 1034 N VAL A 66 12.079 -11.569 8.598 1.00 51.05 N ATOM 1035 CA VAL A 66 12.463 -10.420 9.431 1.00 52.44 C ATOM 1036 C VAL A 66 13.915 -9.969 9.162 1.00 70.34 C ATOM 1037 O VAL A 66 14.737 -10.758 8.697 1.00 43.33 O ATOM 1038 CB VAL A 66 12.304 -10.755 10.938 1.00 1.22 C ATOM 1039 CG1 VAL A 66 10.853 -11.104 11.265 1.00 72.41 C ATOM 1040 CG2 VAL A 66 13.246 -11.891 11.349 1.00 63.33 C ATOM 0 H VAL A 66 11.824 -12.402 9.130 1.00 51.05 H new ATOM 0 HA VAL A 66 11.794 -9.602 9.164 1.00 52.44 H new ATOM 0 HB VAL A 66 12.577 -9.869 11.512 1.00 1.22 H new ATOM 0 HG11 VAL A 66 10.765 -11.335 12.327 1.00 72.41 H new ATOM 0 HG12 VAL A 66 10.212 -10.256 11.024 1.00 72.41 H new ATOM 0 HG13 VAL A 66 10.546 -11.970 10.678 1.00 72.41 H new ATOM 0 HG21 VAL A 66 13.115 -12.107 12.409 1.00 63.33 H new ATOM 0 HG22 VAL A 66 13.016 -12.783 10.766 1.00 63.33 H new ATOM 0 HG23 VAL A 66 14.278 -11.593 11.164 1.00 63.33 H new ATOM 1050 N PRO A 67 14.248 -8.687 9.443 1.00 4.12 N ATOM 1051 CA PRO A 67 15.619 -8.156 9.274 1.00 13.22 C ATOM 1052 C PRO A 67 16.703 -9.049 9.913 1.00 21.22 C ATOM 1053 O PRO A 67 17.818 -9.161 9.396 1.00 3.14 O ATOM 1054 CB PRO A 67 15.553 -6.799 9.984 1.00 51.21 C ATOM 1055 CG PRO A 67 14.130 -6.377 9.849 1.00 4.11 C ATOM 1056 CD PRO A 67 13.313 -7.644 9.921 1.00 64.11 C ATOM 0 HA PRO A 67 15.902 -8.101 8.223 1.00 13.22 H new ATOM 0 HB2 PRO A 67 15.844 -6.884 11.031 1.00 51.21 H new ATOM 0 HB3 PRO A 67 16.227 -6.077 9.523 1.00 51.21 H new ATOM 0 HG2 PRO A 67 13.850 -5.686 10.645 1.00 4.11 H new ATOM 0 HG3 PRO A 67 13.964 -5.859 8.904 1.00 4.11 H new ATOM 0 HD2 PRO A 67 12.973 -7.845 10.937 1.00 64.11 H new ATOM 0 HD3 PRO A 67 12.424 -7.584 9.293 1.00 64.11 H new ATOM 1064 N GLY A 68 16.366 -9.684 11.037 1.00 74.31 N ATOM 1065 CA GLY A 68 17.299 -10.583 11.712 1.00 34.35 C ATOM 1066 C GLY A 68 17.694 -11.797 10.869 1.00 14.41 C ATOM 1067 O GLY A 68 18.719 -12.433 11.122 1.00 73.14 O ATOM 0 H GLY A 68 15.459 -9.592 11.495 1.00 74.31 H new ATOM 0 HA2 GLY A 68 18.198 -10.027 11.978 1.00 34.35 H new ATOM 0 HA3 GLY A 68 16.850 -10.928 12.643 1.00 34.35 H new ATOM 1071 N ALA A 69 16.880 -12.124 9.872 1.00 54.22 N ATOM 1072 CA ALA A 69 17.177 -13.229 8.955 1.00 21.50 C ATOM 1073 C ALA A 69 18.037 -12.747 7.774 1.00 31.33 C ATOM 1074 O ALA A 69 17.788 -11.675 7.215 1.00 70.41 O ATOM 1075 CB ALA A 69 15.882 -13.853 8.451 1.00 11.00 C ATOM 0 H ALA A 69 16.004 -11.640 9.674 1.00 54.22 H new ATOM 0 HA ALA A 69 17.744 -13.984 9.499 1.00 21.50 H new ATOM 0 HB1 ALA A 69 16.114 -14.673 7.771 1.00 11.00 H new ATOM 0 HB2 ALA A 69 15.309 -14.234 9.296 1.00 11.00 H new ATOM 0 HB3 ALA A 69 15.296 -13.100 7.925 1.00 11.00 H new ATOM 1081 N PRO A 70 19.069 -13.524 7.384 1.00 33.23 N ATOM 1082 CA PRO A 70 19.968 -13.152 6.276 1.00 31.00 C ATOM 1083 C PRO A 70 19.260 -13.101 4.908 1.00 30.53 C ATOM 1084 O PRO A 70 19.138 -14.114 4.214 1.00 62.13 O ATOM 1085 CB PRO A 70 21.049 -14.253 6.293 1.00 63.44 C ATOM 1086 CG PRO A 70 20.915 -14.914 7.627 1.00 72.03 C ATOM 1087 CD PRO A 70 19.460 -14.811 7.990 1.00 71.15 C ATOM 0 HA PRO A 70 20.365 -12.146 6.411 1.00 31.00 H new ATOM 0 HB2 PRO A 70 20.897 -14.966 5.483 1.00 63.44 H new ATOM 0 HB3 PRO A 70 22.045 -13.829 6.162 1.00 63.44 H new ATOM 0 HG2 PRO A 70 21.234 -15.955 7.581 1.00 72.03 H new ATOM 0 HG3 PRO A 70 21.540 -14.422 8.372 1.00 72.03 H new ATOM 0 HD2 PRO A 70 18.881 -15.642 7.586 1.00 71.15 H new ATOM 0 HD3 PRO A 70 19.310 -14.813 9.070 1.00 71.15 H new ATOM 1095 N LYS A 71 18.771 -11.918 4.537 1.00 20.23 N ATOM 1096 CA LYS A 71 18.115 -11.711 3.240 1.00 74.41 C ATOM 1097 C LYS A 71 19.151 -11.511 2.120 1.00 51.42 C ATOM 1098 O LYS A 71 19.859 -10.502 2.084 1.00 55.25 O ATOM 1099 CB LYS A 71 17.173 -10.496 3.317 1.00 43.23 C ATOM 1100 CG LYS A 71 16.439 -10.148 2.013 1.00 55.15 C ATOM 1101 CD LYS A 71 15.453 -11.236 1.562 1.00 5.44 C ATOM 1102 CE LYS A 71 16.072 -12.197 0.552 1.00 30.33 C ATOM 1103 NZ LYS A 71 15.108 -13.235 0.097 1.00 43.22 N ATOM 0 H LYS A 71 18.816 -11.081 5.119 1.00 20.23 H new ATOM 0 HA LYS A 71 17.533 -12.602 3.005 1.00 74.41 H new ATOM 0 HB2 LYS A 71 16.431 -10.682 4.093 1.00 43.23 H new ATOM 0 HB3 LYS A 71 17.752 -9.628 3.631 1.00 43.23 H new ATOM 0 HG2 LYS A 71 15.899 -9.211 2.147 1.00 55.15 H new ATOM 0 HG3 LYS A 71 17.173 -9.983 1.224 1.00 55.15 H new ATOM 0 HD2 LYS A 71 15.112 -11.797 2.432 1.00 5.44 H new ATOM 0 HD3 LYS A 71 14.574 -10.766 1.121 1.00 5.44 H new ATOM 0 HE2 LYS A 71 16.430 -11.634 -0.310 1.00 30.33 H new ATOM 0 HE3 LYS A 71 16.940 -12.681 0.999 1.00 30.33 H new ATOM 0 HZ1 LYS A 71 15.573 -13.864 -0.588 1.00 43.22 H new ATOM 0 HZ2 LYS A 71 14.785 -13.791 0.914 1.00 43.22 H new ATOM 0 HZ3 LYS A 71 14.291 -12.776 -0.354 1.00 43.22 H new ATOM 1117 N ALA A 72 19.240 -12.485 1.215 1.00 24.12 N ATOM 1118 CA ALA A 72 20.168 -12.408 0.084 1.00 44.12 C ATOM 1119 C ALA A 72 19.719 -11.353 -0.943 1.00 74.33 C ATOM 1120 O ALA A 72 18.592 -11.401 -1.443 1.00 3.10 O ATOM 1121 CB ALA A 72 20.287 -13.774 -0.579 1.00 63.54 C ATOM 0 H ALA A 72 18.681 -13.338 1.242 1.00 24.12 H new ATOM 0 HA ALA A 72 21.143 -12.104 0.465 1.00 44.12 H new ATOM 0 HB1 ALA A 72 20.978 -13.712 -1.420 1.00 63.54 H new ATOM 0 HB2 ALA A 72 20.660 -14.498 0.145 1.00 63.54 H new ATOM 0 HB3 ALA A 72 19.308 -14.091 -0.937 1.00 63.54 H new ATOM 1127 N PRO A 73 20.600 -10.391 -1.284 1.00 24.13 N ATOM 1128 CA PRO A 73 20.269 -9.309 -2.229 1.00 3.12 C ATOM 1129 C PRO A 73 20.169 -9.787 -3.688 1.00 13.23 C ATOM 1130 O PRO A 73 20.780 -10.786 -4.079 1.00 25.25 O ATOM 1131 CB PRO A 73 21.437 -8.331 -2.059 1.00 31.40 C ATOM 1132 CG PRO A 73 22.581 -9.190 -1.638 1.00 73.30 C ATOM 1133 CD PRO A 73 21.986 -10.279 -0.781 1.00 14.21 C ATOM 0 HA PRO A 73 19.290 -8.877 -2.020 1.00 3.12 H new ATOM 0 HB2 PRO A 73 21.655 -7.807 -2.989 1.00 31.40 H new ATOM 0 HB3 PRO A 73 21.214 -7.571 -1.310 1.00 31.40 H new ATOM 0 HG2 PRO A 73 23.093 -9.610 -2.504 1.00 73.30 H new ATOM 0 HG3 PRO A 73 23.318 -8.613 -1.080 1.00 73.30 H new ATOM 0 HD2 PRO A 73 22.530 -11.218 -0.889 1.00 14.21 H new ATOM 0 HD3 PRO A 73 22.010 -10.016 0.277 1.00 14.21 H new ATOM 1141 N ALA A 74 19.387 -9.067 -4.492 1.00 14.32 N ATOM 1142 CA ALA A 74 19.216 -9.393 -5.911 1.00 51.21 C ATOM 1143 C ALA A 74 20.222 -8.630 -6.788 1.00 64.24 C ATOM 1144 O ALA A 74 20.157 -7.403 -6.902 1.00 12.14 O ATOM 1145 CB ALA A 74 17.786 -9.087 -6.346 1.00 42.01 C ATOM 0 H ALA A 74 18.859 -8.250 -4.185 1.00 14.32 H new ATOM 0 HA ALA A 74 19.409 -10.458 -6.041 1.00 51.21 H new ATOM 0 HB1 ALA A 74 17.667 -9.332 -7.401 1.00 42.01 H new ATOM 0 HB2 ALA A 74 17.090 -9.682 -5.754 1.00 42.01 H new ATOM 0 HB3 ALA A 74 17.578 -8.028 -6.193 1.00 42.01 H new ATOM 1151 N ALA A 75 21.153 -9.365 -7.395 1.00 25.41 N ATOM 1152 CA ALA A 75 22.174 -8.775 -8.271 1.00 2.11 C ATOM 1153 C ALA A 75 21.729 -8.780 -9.747 1.00 73.21 C ATOM 1154 O ALA A 75 21.709 -9.868 -10.366 1.00 39.56 O ATOM 1155 CB ALA A 75 23.495 -9.520 -8.104 1.00 30.15 C ATOM 1156 OXT ALA A 75 21.408 -7.694 -10.284 1.00 39.56 O ATOM 0 H ALA A 75 21.224 -10.378 -7.297 1.00 25.41 H new ATOM 0 HA ALA A 75 22.311 -7.734 -7.978 1.00 2.11 H new ATOM 0 HB1 ALA A 75 24.247 -9.077 -8.757 1.00 30.15 H new ATOM 0 HB2 ALA A 75 23.825 -9.447 -7.068 1.00 30.15 H new ATOM 0 HB3 ALA A 75 23.357 -10.568 -8.368 1.00 30.15 H new TER 1162 ALA A 75